A0A077ZGW0_TRITR Loading...

T-complex protein 1 subunit beta

AlphaFold DB , UniProt , Accession A0A077ZGW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 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
1M37.8Very low41.1Very low232 Ų232163.8 Ų163.8100%1.14377%0.769SS**  0900-159.7171.8-177.800107.2L3M1-L3 PolarHBondContact O-N 3.36Å
2R33.9Very low42.3Very low230 Ų230160.2 Ų160.287%0.86877%0.77SS**  trans-84.8102.9-175.7-83.3-178.6173.9172.3-2.3108.4F4R2-F4 PolarHBondContact O-N 3.26Å
3L34.9Very low44.2Very low143 Ų143157.3 Ų157.375%0.74977%0.768SS**  trans-65.1106.4166.9-11283.3000107.9M1 I5M1-L3 PolarHBondContact O-N 3.36Å; L3-I5 HydrophobicContact CD2-CD1 4.47Å; L3-I5 HydrophobicContact CD2-CG1 4.35Å; L3-I5 PolarHBondContact O-N 3.18Å
4F38.2Very low45.7Very low170 Ų170156.4 Ų156.475%0.74676%0.762SS**  trans-80.493164.4-90.8-92.5000107.8R2 F6R2-F4 PolarHBondContact O-N 3.26Å; F4-F6 PolarHBondContact O-N 3.02Å
5I38.6Very low47.9Very low128 Ų128156.2 Ų156.266%0.65676%0.763SS**  trans-7697.4165.7-64.1174.6000106.2L3 Q7L3-I5 HydrophobicContact CD2-CD1 4.47Å; L3-I5 HydrophobicContact CD2-CG1 4.35Å; L3-I5 PolarHBondContact O-N 3.18Å; I5-Q7 VanDerWaalsContact C-N 3.28Å; I5-Q7 HydrophobicContact CG2-CB 4.47Å; I5-Q7 PolarHBondContact O-N 3.18Å
6F39.7Very low49.7Very low174 Ų174149.9 Ų149.976%0.76373%0.734SS**  trans-7288166.9-106.9-92.2000107.9F4 I8F4-F6 PolarHBondContact O-N 3.02Å; F6-I8 VanDerWaalsContact C-N 3.28Å; F6-I8 HydrophobicContact CD1-CG1 4.34Å; F6-I8 PolarHBondContact O-N 2.96Å
7Q39.7Very low51.3Low160 Ų160149.4 Ų149.475%0.74873%0.729SS**  trans-79.385169-160.5150.43.900107.4I5 I9I5-Q7 VanDerWaalsContact C-N 3.28Å; I5-Q7 HydrophobicContact CG2-CB 4.47Å; I5-Q7 PolarHBondContact O-N 3.18Å; Q7-I9 VanDerWaalsContact C-N 3.29Å; Q7-I9 HydrophobicContact CG-CG1 4.46Å; Q7-I9 PolarHBondContact O-N 3.07Å
8I42.9Very low52.5Low122 Ų122147.8 Ų147.863%0.62673%0.732SS**  trans-68.195.7168.8-62174.9000106F6 F10F6-I8 VanDerWaalsContact C-N 3.28Å; F6-I8 HydrophobicContact CD1-CG1 4.34Å; F6-I8 PolarHBondContact O-N 2.96Å; I8-F10 HydrophobicContact CG2-CD2 4.3Å; I8-F10 HydrophobicContact CG2-CE2 4.22Å; I8-F10 PolarHBondContact O-N 2.9Å; I8-F10 VanDerWaalsContact O-N 3.08Å
9I46.8Very low53.8Low131 Ų131143.5 Ų143.567%0.67272%0.722SS**  trans-6999.7171.1-61.8168.7000106Q7 N11Q7-I9 VanDerWaalsContact C-N 3.29Å; Q7-I9 HydrophobicContact CG-CG1 4.46Å; Q7-I9 PolarHBondContact O-N 3.07Å; I9-N11 PolarHBondContact O-N 3.08Å
10F48.4Very low55.2Low185 Ų185137.5 Ų137.581%0.81169%0.693SS**  trans-66.784.6164.2-79.7-88.1000107.9I8 P12I8-F10 HydrophobicContact CG2-CD2 4.3Å; I8-F10 HydrophobicContact CG2-CE2 4.22Å; I8-F10 PolarHBondContact O-N 2.9Å; I8-F10 VanDerWaalsContact O-N 3.08Å; F10-P12 WeakPolarHBondContact O-CD 3.41Å
11N51.8Low56.5Low127 Ų127136.8 Ų136.868%0.67969%0.688SS**  trans-66.3122.3158.4-93.2-2.7000106.5I9 V13I9-N11 PolarHBondContact O-N 3.08Å; N11-V13 PolarHBondContact O-N 3.14Å
12P55.6Low58.8Low120 Ų120129 Ų12978%0.77965%0.649SS**  trans-58.2117.1173.622.2-29.5000108F10 Q14F10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-Q14 PolarHBondContact O-N 3.03Å; P12-Q14 VanDerWaalsContact O-N 3.14Å
13V65.8Low61.2Low123 Ų123119.8 Ų119.875%0.74562%0.615SS**  trans-67.8111.5174.9179.10000106.4N11 I15N11-V13 PolarHBondContact O-N 3.14Å; V13-I15 HydrophobicContact CG1-CG1 4.36Å; V13-I15 PolarHBondContact O-N 2.78Å; V13-I15 VanDerWaalsContact O-N 3.14Å
14Q65.6Low63.6Low145 Ų145118.6 Ų118.668%0.67860%0.604SS**  trans-71.5105.5174.5-172.9170.23.600108.3P12 L16P12-Q14 PolarHBondContact O-N 3.03Å; P12-Q14 VanDerWaalsContact O-N 3.14Å; Q14-L16 WeakPolarHBondContact CG-O 3.33Å
15I78.1Confident65.7Low153 Ų153111.7 Ų111.779%0.78558%0.581SS**  trans-87.4-36.3-179.3-60173.2000111V13V13-I15 HydrophobicContact CG1-CG1 4.36Å; V13-I15 PolarHBondContact O-N 2.78Å; V13-I15 VanDerWaalsContact O-N 3.14Å
16L77.7Confident67.8Low56 Ų56112.8 Ų112.829%0.29358%0.583SS.*SBendtrans-96.7144.9-177.2-59.4176.9000111Q14 V20 E22Q14-L16 WeakPolarHBondContact CG-O 3.33Å; L16-V20 HydrophobicContact CB-CB 4.11Å; L16-V20 HydrophobicContact CB-CG1 4.26Å; L16-V20 HydrophobicContact CD1-CG1 4.01Å; L16-V20 HydrophobicContact CD2-CG1 4.4Å; L16-V20 HydrophobicContact CG-CG1 4.45Å; L16-E22 HydrophobicContact CD1-CB 3.97Å; L16-E22 HydrophobicContact CD1-CG 4.26Å; L16-E22 WeakPolarHBondContact CD1-OE2 3.42Å
17E76.1Confident70Confident141 Ų141111 Ų11166%0.65958%0.577SS**  trans-61.6151.2174.1-67.7-172.5-172.100110.7A19 V20E17-A19 PolarHBondContact O-N 3.14Å; E17-V20 HydrophobicContact CB-CG2 4.09Å; E17-V20 WeakPolarHBondContact O-CB 3.47Å; E17-V20 PolarHBondContact O-N 3.41Å
18P73.2Confident72.1Confident120 Ų120103.4 Ų103.478%0.77954%0.542SS*.THydrogen-bonded Turntrans-60.2-20-175.4-20.630.3000115.1
19A77.7Confident74.2Confident66 Ų6699.5 Ų99.555%0.54552%0.519SS..THydrogen-bonded Turntrans-85.9-8.7179.400000113.4E17E17-A19 PolarHBondContact O-N 3.14Å
20V80.8Confident76Confident23 Ų2396.6 Ų96.614%0.13951%0.505CS..  trans-83.3122.4-178.3-178.80000109.3L16 E17 I528 K529 D530L16-V20 HydrophobicContact CB-CB 4.11Å; L16-V20 HydrophobicContact CB-CG1 4.26Å; L16-V20 HydrophobicContact CD1-CG1 4.01Å; L16-V20 HydrophobicContact CD2-CG1 4.4Å; L16-V20 HydrophobicContact CG-CG1 4.45Å; E17-V20 HydrophobicContact CB-CG2 4.09Å; E17-V20 WeakPolarHBondContact O-CB 3.47Å; E17-V20 PolarHBondContact O-N 3.41Å; V20-I528 HydrophobicContact CG1-CG2 3.37Å; V20-K529 WeakPolarHBondContact CA-O 3.43Å; V20-D530 HydrophobicContact CG2-CB 4.22Å
21E82.2Confident77.9Confident123 Ų12389.4 Ų89.458%0.57548%0.477SS*.EExtended strand (participates in β ladder)trans-88129.9171.8-62.3-178.2167.900109.4I528 K529E21-I528 WeakPolarHBondContact O-CA 3.37Å; E21-K529 HydrophobicContact CB-CB 4.32Å; E21-K529 PolarHBondContact N-O 3.26Å; E21-K529 PolarHBondContact O-N 3.12Å
22E86.1Confident79.5Confident70 Ų7083.4 Ų83.433%0.32745%0.445SS..EExtended strand (participates in β ladder)trans-125.5112.9178.3-174.6179.3-16300110.3L16 K24 N526 I527 I528L16-E22 HydrophobicContact CD1-CB 3.97Å; L16-E22 HydrophobicContact CD1-CG 4.26Å; L16-E22 WeakPolarHBondContact CD1-OE2 3.42Å; E22-K24 HydrophobicContact CG-CG 4Å; E22-K24 WeakPolarHBondContact OE1-CE 3.49Å; E22-K24 IonicContact OE1-NZ 3.51Å; E22-K24 WeakPolarHBondContact OE2-CE 2.83Å; E22-K24 IonicContact OE2-NZ 2.78Å; E22-K24 PolarHBondContact OE2-NZ 2.98Å; E22-N526 PolarHBondContact OE1-ND2 3.38Å; E22-I527 WeakPolarHBondContact CA-O 3.42Å; E22-I528 HydrophobicContact CG-CG1 4.2Å
23E84.6Confident81.2Confident35 Ų3577.8 Ų77.816%0.16441%0.408CS..EExtended strand (participates in β ladder)trans-91.5135167.2-63.2169.7-148.900108A28 S31 N526 I527 K529E23-A28 HydrophobicContact CB-CB 3.93Å; E23-S31 WeakPolarHBondContact OE2-CB 2.9Å; E23-S31 PolarHBondContact OE2-OG 3.22Å; E23-N526 VanDerWaalsContact O-CA 3.28Å; E23-N526 WeakPolarHBondContact O-CA 3.08Å; E23-I527 HydrophobicContact CB-CB 4.34Å; E23-I527 PolarHBondContact N-O 3.24Å; E23-I527 PolarHBondContact O-N 3.41Å; E23-K529 IonicContact OE1-NZ 2.74Å; E23-K529 PolarHBondContact OE1-NZ 3.1Å
24K85.1Confident82.3Confident118 Ų11876.4 Ų76.451%0.51340%0.396SS..EExtended strand (participates in β ladder)trans-122.2149.6-175-67.1-171.6174165.10113.8E22 E26 E27 D525E22-K24 HydrophobicContact CG-CG 4Å; E22-K24 WeakPolarHBondContact OE1-CE 3.49Å; E22-K24 IonicContact OE1-NZ 3.51Å; E22-K24 WeakPolarHBondContact OE2-CE 2.83Å; E22-K24 IonicContact OE2-NZ 2.78Å; E22-K24 PolarHBondContact OE2-NZ 2.98Å; K24-E26 PolarHBondContact O-N 2.68Å; K24-E27 PolarHBondContact O-N 3.03Å; K24-D525 CarbonylContact C-O 3.59Å
25G83.5Confident83.5Confident25 Ų2570 Ų7026%0.25837%0.369SS..Hα-helixtrans57.9-117.1167.500000113.3R29 D525G25-R29 PolarHBondContact O-N 3.1Å; G25-D525 WeakPolarHBondContact CA-O 3.26Å; G25-D525 PolarHBondContact N-O 2.94Å
26E83.2Confident84.2Confident151 Ų15162.7 Ų62.771%0.70633%0.331SS*.Hα-helixtrans-72.1-34.6-176.7-69.5178.9172.700112.6K24 R29 L30K24-E26 PolarHBondContact O-N 2.68Å; E26-R29 PolarHBondContact O-N 3.31Å; E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 PolarHBondContact O-N 3.34Å
27E84.2Confident84.9Confident138 Ų13861.4 Ų61.465%0.64532%0.324SS*.Hα-helixtrans-65.7-46.2-179.3-171.7172.6-166.800111.3K24 R29 L30 S31K24-E27 PolarHBondContact O-N 3.03Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 3.01Å; E27-L30 PolarHBondContact O-N 2.88Å; E27-S31 VanDerWaalsContact O-CB 3.22Å; E27-S31 WeakPolarHBondContact O-CB 3.13Å; E27-S31 PolarHBondContact O-N 3.21Å
28A85.4Confident85.8Confident0 Ų057.4 Ų57.40%032%0.315CS..Hα-helixtrans-60.4-39.7174.600000112.7E23 S32 D525 I527E23-A28 HydrophobicContact CB-CB 3.93Å; A28-S32 WeakPolarHBondContact O-CB 3.46Å; A28-S32 PolarHBondContact O-N 2.91Å; A28-S32 PolarHBondContact O-OG 2.9Å; A28-D525 WeakPolarHBondContact CB-O 3.4Å; A28-I527 HydrophobicContact CB-CD1 4.39Å; A28-I527 HydrophobicContact CB-CG1 4.1Å; A28-I527 WeakPolarHBondContact O-CD1 3.17Å
29R86.6Confident86.7Confident40 Ų4052.4 Ų52.415%0.15128%0.282CS..Hα-helixtrans-66.6-47.2176.4-81.6-168.6-66-930.1112G25 E26 E27 S32 F33 V524G25-R29 PolarHBondContact O-N 3.1Å; E26-R29 PolarHBondContact O-N 3.31Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 3.01Å; R29-S32 WeakPolarHBondContact O-CB 3.22Å; R29-S32 PolarHBondContact O-N 2.74Å; R29-F33 WeakPolarHBondContact O-CD1 3.44Å; R29-F33 WeakPolarHBondContact O-CG 2.94Å; R29-F33 PolarHBondContact O-N 2.85Å; R29-V524 WeakPolarHBondContact CG-O 3.39Å
30L85.2Confident87.6Confident70 Ų7049.4 Ų49.437%0.36626%0.257SS..Hα-helixtrans-62.7-45.5179.7-17466.8000110.7E26 E27 S32 F33 I34 E120E26-L30 WeakPolarHBondContact O-CB 3.47Å; E26-L30 PolarHBondContact O-N 3.34Å; E27-L30 PolarHBondContact O-N 2.88Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 2.89Å; L30-F33 PolarHBondContact O-N 2.98Å; L30-F33 VanDerWaalsContact O-N 3.15Å; L30-I34 HydrophobicContact CD1-CD1 4.36Å; L30-I34 HydrophobicContact CG-CD1 3.92Å; L30-I34 VanDerWaalsContact O-CG1 3.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.33Å; L30-E120 WeakPolarHBondContact CD1-OE1 3.5Å
31S86.3Confident88.2Confident33 Ų3352 Ų5223%0.23127%0.27CS..Hα-helixtrans-55.7-43.4173.3179.50000111.9E23 E27 G35 N84E23-S31 WeakPolarHBondContact OE2-CB 2.9Å; E23-S31 PolarHBondContact OE2-OG 3.22Å; E27-S31 VanDerWaalsContact O-CB 3.22Å; E27-S31 WeakPolarHBondContact O-CB 3.13Å; E27-S31 PolarHBondContact O-N 3.21Å; S31-G35 PolarHBondContact O-N 3.4Å; S31-N84 PolarHBondContact O-ND2 3.11Å
32S86.5Confident88.8Confident2 Ų249.2 Ų49.21%0.01426%0.259CS..Hα-helixtrans-62.9-46.6174.1-65.80000112.5A28 R29 L30 G35 A36 A86 I527A28-S32 WeakPolarHBondContact O-CB 3.46Å; A28-S32 PolarHBondContact O-N 2.91Å; A28-S32 PolarHBondContact O-OG 2.9Å; R29-S32 WeakPolarHBondContact O-CB 3.22Å; R29-S32 PolarHBondContact O-N 2.74Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 2.89Å; S32-G35 PolarHBondContact O-N 2.89Å; S32-A36 WeakPolarHBondContact O-CB 3.47Å; S32-A36 PolarHBondContact O-N 2.86Å; S32-A86 WeakPolarHBondContact O-CB 3.37Å; S32-I527 WeakPolarHBondContact OG-CD1 3.42Å
33F90.1Very high89.2Confident1 Ų145.9 Ų45.90%0.00424%0.244CC..Hα-helixtrans-66.9-42.9-177.5-69.4-0.2000111.7R29 L30 G35 A36 M37 L116 A119 E120 M123 L522R29-F33 WeakPolarHBondContact O-CD1 3.44Å; R29-F33 WeakPolarHBondContact O-CG 2.94Å; R29-F33 PolarHBondContact O-N 2.85Å; L30-F33 PolarHBondContact O-N 2.98Å; L30-F33 VanDerWaalsContact O-N 3.15Å; F33-G35 VanDerWaalsContact C-N 3.32Å; F33-G35 PolarHBondContact O-N 3.3Å; F33-A36 PolarHBondContact O-N 3.37Å; F33-M37 HydrophobicContact CB-CE 4.22Å; F33-M37 VanDerWaalsContact O-CB 3.31Å; F33-M37 WeakPolarHBondContact O-CB 3.35Å; F33-M37 VanDerWaalsContact O-CG 3.25Å; F33-M37 WeakPolarHBondContact O-CG 3.37Å; F33-M37 PolarHBondContact O-N 2.86Å; F33-L116 HydrophobicContact CD1-CB 4.41Å; F33-L116 HydrophobicContact CD1-CD2 3.79Å; F33-L116 HydrophobicContact CE1-CD2 3.52Å; F33-L116 HydrophobicContact CZ-CD2 4.21Å; F33-A119 HydrophobicContact CE2-CB 4.46Å; F33-E120 HydrophobicContact CD2-CB 3.85Å; F33-E120 HydrophobicContact CD2-CG 4.36Å; F33-E120 HydrophobicContact CE2-CB 4.24Å; F33-M123 HydrophobicContact CE2-CE 3.63Å; F33-M123 HydrophobicContact CE2-SD 4.39Å; F33-M123 HydrophobicContact CZ-CE 4.27Å; F33-L522 HydrophobicContact CZ-CD1 3.71Å
34I90.2Very high89.7Confident95 Ų9547.1 Ų47.149%0.48725%0.248SC..Hα-helixtrans-58.1-46.4177.1-69.2167.4000110.4L30 M37 A38L30-I34 HydrophobicContact CD1-CD1 4.36Å; L30-I34 HydrophobicContact CG-CD1 3.92Å; L30-I34 VanDerWaalsContact O-CG1 3.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.33Å; I34-M37 HydrophobicContact CG1-CE 4.46Å; I34-M37 PolarHBondContact O-N 3.04Å; I34-A38 WeakPolarHBondContact O-CB 3.29Å; I34-A38 PolarHBondContact O-N 3.16Å
35G90.5Very high90.2Very high10 Ų1043 Ų4310%0.10324%0.235CC..Hα-helixtrans-62.4-45.8177.600000113S31 S32 F33 A38 I39S31-G35 PolarHBondContact O-N 3.4Å; S32-G35 PolarHBondContact O-N 2.89Å; F33-G35 VanDerWaalsContact C-N 3.32Å; F33-G35 PolarHBondContact O-N 3.3Å; G35-A38 PolarHBondContact O-N 3.19Å; G35-I39 PolarHBondContact O-N 2.84Å
36A91.9Very high90.7Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-64.1-42.6177.800000112.6S32 F33 I39 G40 A86 L90 L116 L521S32-A36 WeakPolarHBondContact O-CB 3.47Å; S32-A36 PolarHBondContact O-N 2.86Å; F33-A36 PolarHBondContact O-N 3.37Å; A36-I39 PolarHBondContact O-N 3.08Å; A36-G40 PolarHBondContact O-N 3.25Å; A36-G40 VanDerWaalsContact O-N 3.08Å; A36-A86 HydrophobicContact CB-CB 4.33Å; A36-L90 HydrophobicContact CB-CD1 3.77Å; A36-L90 HydrophobicContact CB-CG 4.41Å; A36-L90 WeakPolarHBondContact O-CD1 3.28Å; A36-L116 HydrophobicContact CB-CD1 3.47Å; A36-L116 VanDerWaalsContact CB-CD1 3.47Å; A36-L521 HydrophobicContact CB-CD1 4.23Å
37M93.5Very high91.2Very high29 Ų2935.3 Ų35.314%0.14319%0.192CC..Hα-helixtrans-64.9-40.8176.3-72.9-170.5-67.600111.8F33 I34 I39 G40 D41 K117 E120F33-M37 HydrophobicContact CB-CE 4.22Å; F33-M37 VanDerWaalsContact O-CB 3.31Å; F33-M37 WeakPolarHBondContact O-CB 3.35Å; F33-M37 VanDerWaalsContact O-CG 3.25Å; F33-M37 WeakPolarHBondContact O-CG 3.37Å; F33-M37 PolarHBondContact O-N 2.86Å; I34-M37 HydrophobicContact CG1-CE 4.46Å; I34-M37 PolarHBondContact O-N 3.04Å; M37-I39 VanDerWaalsContact C-N 3.29Å; M37-I39 PolarHBondContact O-N 2.88Å; M37-G40 CarbonylContact O-C 3.51Å; M37-G40 PolarHBondContact O-N 3.39Å; M37-G40 VanDerWaalsContact O-N 3.11Å; M37-D41 WeakPolarHBondContact O-CB 3.48Å; M37-D41 PolarHBondContact O-N 3.15Å; M37-K117 HydrophobicContact CG-CB 4.44Å; M37-K117 HydrophobicContact SD-CB 3.75Å; M37-K117 HydrophobicContact SD-CD 4.33Å; M37-K117 HydrophobicContact SD-CG 3.9Å; M37-E120 WeakPolarHBondContact CE-OE2 3.4Å
38A93.9Very high91.6Very high57 Ų5729.4 Ų29.447%0.47117%0.168SC..Hα-helixtrans-59.7-39.917700000112.2I34 G35 D41 L42I34-A38 WeakPolarHBondContact O-CB 3.29Å; I34-A38 PolarHBondContact O-N 3.16Å; G35-A38 PolarHBondContact O-N 3.19Å; A38-D41 PolarHBondContact O-N 3.3Å; A38-L42 WeakPolarHBondContact O-CB 3.42Å; A38-L42 PolarHBondContact O-N 2.86Å
39I94Very high91.8Very high14 Ų1432.6 Ų32.67%0.07219%0.189CC..Hα-helixtrans-66.9-41.6174-68.7-58.2000111.7G35 A36 M37 L42 L43 L77 V82 A87 L90 V109G35-I39 PolarHBondContact O-N 2.84Å; A36-I39 PolarHBondContact O-N 3.08Å; M37-I39 VanDerWaalsContact C-N 3.29Å; M37-I39 PolarHBondContact O-N 2.88Å; I39-L42 PolarHBondContact O-N 3.03Å; I39-L43 PolarHBondContact O-N 3.41Å; I39-L77 HydrophobicContact CD1-CD2 4.24Å; I39-L77 HydrophobicContact CG2-CD2 3.56Å; I39-V82 HydrophobicContact CD1-CG2 4.01Å; I39-A87 HydrophobicContact CD1-CB 4.32Å; I39-A87 HydrophobicContact CG1-CB 3.5Å; I39-L90 HydrophobicContact CG2-CB 4.44Å; I39-V109 HydrophobicContact CG2-CG1 3.58Å
40G95.1Very high92.1Very high3 Ų334.9 Ų34.93%0.03120%0.2CC..Hα-helixtrans-60.7-44.2173.700000112.9A36 M37 L42 L43 K44A36-G40 PolarHBondContact O-N 3.25Å; A36-G40 VanDerWaalsContact O-N 3.08Å; M37-G40 CarbonylContact O-C 3.51Å; M37-G40 PolarHBondContact O-N 3.39Å; M37-G40 VanDerWaalsContact O-N 3.11Å; G40-L42 VanDerWaalsContact C-N 3.34Å; G40-L42 PolarHBondContact O-N 3.37Å; G40-L43 PolarHBondContact O-N 3.4Å; G40-K44 WeakPolarHBondContact O-CB 3.45Å; G40-K44 PolarHBondContact O-N 2.89Å
41D94.3Very high92.3Very high77 Ų7732.4 Ų32.441%0.41219%0.192SC..Hα-helixtrans-67.6-32.8178.6-82.6-31.6000112.8M37 A38 K44M37-D41 WeakPolarHBondContact O-CB 3.48Å; M37-D41 PolarHBondContact O-N 3.15Å; A38-D41 PolarHBondContact O-N 3.3Å; D41-K44 WeakPolarHBondContact OD1-CE 3.15Å; D41-K44 IonicContact OD1-NZ 2.7Å; D41-K44 PolarHBondContact OD1-NZ 3.15Å
42L93.9Very high92.6Very high66 Ų6636.4 Ų36.435%0.34621%0.208SC..Hα-helixtrans-63.1-44.1172.7177.569.4000111.4A38 I39 G40 I76 I80A38-L42 WeakPolarHBondContact O-CB 3.42Å; A38-L42 PolarHBondContact O-N 2.86Å; I39-L42 PolarHBondContact O-N 3.03Å; G40-L42 VanDerWaalsContact C-N 3.34Å; G40-L42 PolarHBondContact O-N 3.37Å; L42-I76 HydrophobicContact CD2-CG2 4.37Å; L42-I80 HydrophobicContact CD2-CD1 3.32Å
43L95.1Very high92.8Very high0 Ų039.8 Ų39.80%023%0.226CC..Hα-helixtrans-85.7-27-174.4-73-165.4000114.6I39 G40 S45 T46 I76 L77 T106 V109 V110I39-L43 PolarHBondContact O-N 3.41Å; G40-L43 PolarHBondContact O-N 3.4Å; L43-S45 PolarHBondContact O-N 2.87Å; L43-T46 PolarHBondContact O-N 2.94Å; L43-T46 PolarHBondContact O-OG1 3.35Å; L43-T46 VanDerWaalsContact O-OG1 3.1Å; L43-I76 HydrophobicContact CD2-CB 3.9Å; L43-I76 HydrophobicContact CD2-CD1 3.91Å; L43-I76 HydrophobicContact CD2-CG2 3.64Å; L43-L77 HydrophobicContact CD1-CD1 3.61Å; L43-L77 HydrophobicContact CD1-CD2 4.11Å; L43-L77 HydrophobicContact CD1-CG 3.87Å; L43-L77 HydrophobicContact CD2-CG 4.46Å; L43-L77 HydrophobicContact CG-CD2 4.32Å; L43-L77 HydrophobicContact CG-CG 4.46Å; L43-T106 HydrophobicContact CB-CG2 4.18Å; L43-V109 HydrophobicContact CD1-CB 3.91Å; L43-V109 HydrophobicContact CD1-CG1 3.8Å; L43-V109 HydrophobicContact CD1-CG2 4.12Å; L43-V110 HydrophobicContact CB-CG2 4.42Å
44K95.6Very high92.9Very high60 Ų6041.9 Ų41.926%0.26124%0.235SC..Hα-helixtrans-55.1-34.4-173.472.5-175.8178.3-171.10113.4G40 D41 T46 L47 V110 I456 N460G40-K44 WeakPolarHBondContact O-CB 3.45Å; G40-K44 PolarHBondContact O-N 2.89Å; D41-K44 WeakPolarHBondContact OD1-CE 3.15Å; D41-K44 IonicContact OD1-NZ 2.7Å; D41-K44 PolarHBondContact OD1-NZ 3.15Å; K44-T46 PolarHBondContact O-N 3.12Å; K44-T46 VanDerWaalsContact O-N 3.15Å; K44-L47 WeakPolarHBondContact O-CB 3.38Å; K44-L47 PolarHBondContact O-N 3.11Å; K44-L47 VanDerWaalsContact O-N 3.12Å; K44-V110 HydrophobicContact CB-CG2 4.11Å; K44-I456 HydrophobicContact CB-CD1 3.9Å; K44-I456 HydrophobicContact CB-CG1 4.31Å; K44-I456 HydrophobicContact CB-CG2 3.99Å; K44-I456 WeakPolarHBondContact O-CG2 3.43Å; K44-N460 PolarHBondContact O-ND2 3.33Å
45S95.5Very high92.9Very high33 Ų3343.1 Ų43.123%0.23124%0.241CC..THydrogen-bonded Turntrans-67.8-10.3178.964.90000114.2L43 G51 M52 K54 N460L43-S45 PolarHBondContact O-N 2.87Å; S45-G51 WeakPolarHBondContact O-CA 3.46Å; S45-M52 PolarHBondContact O-N 3.35Å; S45-K54 WeakPolarHBondContact OG-CE 3.35Å; S45-K54 PolarHBondContact OG-NZ 3.24Å; S45-N460 WeakPolarHBondContact CA-OD1 3.45Å
46T93.9Very high92.9Very high0 Ų043.8 Ų43.80%024%0.242CC..THydrogen-bonded Turntrans-95.8-14176.487.60000111.8L43 K44 G48 M52 K54 N71 I76 T106L43-T46 PolarHBondContact O-N 2.94Å; L43-T46 PolarHBondContact O-OG1 3.35Å; L43-T46 VanDerWaalsContact O-OG1 3.1Å; K44-T46 PolarHBondContact O-N 3.12Å; K44-T46 VanDerWaalsContact O-N 3.15Å; T46-G48 PolarHBondContact O-N 3.1Å; T46-M52 WeakPolarHBondContact CG2-O 3.3Å; T46-K54 HydrophobicContact CG2-CG 3.97Å; T46-N71 WeakPolarHBondContact CB-O 3.33Å; T46-N71 WeakPolarHBondContact CB-OD1 3.32Å; T46-N71 VanDerWaalsContact O-CG 3.22Å; T46-N71 PolarHBondContact O-ND2 3.34Å; T46-N71 PolarHBondContact O-OD1 3.48Å; T46-N71 PolarHBondContact OG1-O 3.15Å; T46-N71 VanDerWaalsContact OG1-O 3.07Å; T46-N71 PolarHBondContact OG1-OD1 3.23Å; T46-I76 HydrophobicContact CG2-CD1 3.85Å; T46-T106 WeakPolarHBondContact OG1-CG2 3.38Å
47L94.4Very high92.6Very high13 Ų1347.6 Ų47.67%0.06827%0.266CS..  trans-70.1127.1-174-17065.9000113.2K44 T106 T107 V110 I453 I456 L457 N460K44-L47 WeakPolarHBondContact O-CB 3.38Å; K44-L47 PolarHBondContact O-N 3.11Å; K44-L47 VanDerWaalsContact O-N 3.12Å; L47-T106 HydrophobicContact CB-CG2 3.9Å; L47-T106 HydrophobicContact CD1-CG2 3.84Å; L47-T106 HydrophobicContact CG-CG2 4.44Å; L47-T107 WeakPolarHBondContact CD1-OG1 3.38Å; L47-V110 HydrophobicContact CD2-CG1 4.37Å; L47-I453 HydrophobicContact CD2-CD1 4.11Å; L47-I453 HydrophobicContact CD2-CG2 4.24Å; L47-I456 HydrophobicContact CB-CG2 4.05Å; L47-I456 HydrophobicContact CD2-CB 4.45Å; L47-I456 HydrophobicContact CD2-CG2 3.99Å; L47-L457 HydrophobicContact CG-CD2 4.15Å; L47-N460 PolarHBondContact O-ND2 3.21Å
48G92.6Very high91.9Very high14 Ų1448.5 Ų48.514%0.14428%0.275CS..SBendtrans92.3177.9169.600000115.8T46 K50 G51 S176 L457T46-G48 PolarHBondContact O-N 3.1Å; G48-K50 PolarHBondContact O-N 3.2Å; G48-K50 VanDerWaalsContact O-N 3.15Å; G48-G51 PolarHBondContact O-N 3.42Å; G48-S176 VanDerWaalsContact C-CB 3.44Å; G48-S176 WeakPolarHBondContact O-CB 3.45Å; G48-L457 VanDerWaalsContact CA-CD2 3.46Å
49P89.5Confident90.6Very high68 Ų6850.5 Ų50.544%0.44229%0.286SS..THydrogen-bonded Turntrans-67.3-16.5-171.927.8-36.4000114.8G175 M487P49-G175 WeakPolarHBondContact CA-O 3.48Å; P49-M487 HydrophobicContact CG-CB 3.84Å; P49-M487 HydrophobicContact CG-CG 3.79Å
50K91.7Very high89.3Confident88 Ų8856.3 Ų56.338%0.38331%0.312SS..THydrogen-bonded Turntrans-110.116.3174.7-57.8-63.4-175.4179.60111.7G48 M487G48-K50 PolarHBondContact O-N 3.2Å; G48-K50 VanDerWaalsContact O-N 3.15Å; K50-M487 HydrophobicContact CB-CE 4.39Å; K50-M487 VanDerWaalsContact CE-O 3.25Å; K50-M487 WeakPolarHBondContact CE-O 3.43Å; K50-M487 HydrophobicContact CG-CB 4.34Å; K50-M487 HydrophobicContact CG-CE 4.04Å
51G90.7Very high87.5Confident18 Ų1862.7 Ų62.719%0.18635%0.353CS..PPolyproline II helixtrans-65.7154.517500000112.3S45 G48S45-G51 WeakPolarHBondContact O-CA 3.46Å; G48-G51 PolarHBondContact O-N 3.42Å
52M91.3Very high85.8Confident116 Ų11663.2 Ų63.257%0.57138%0.376SS*.PPolyproline II helixtrans-103.9135.5-175.4-60.5-69.8-178.500111.3S45 T46 K54S45-M52 PolarHBondContact O-N 3.35Å; T46-M52 WeakPolarHBondContact CG2-O 3.3Å; M52-K54 PolarHBondContact O-NZ 3.3Å; M52-K54 VanDerWaalsContact O-NZ 3.08Å
53D90.7Very high84.1Confident73 Ų7361.8 Ų61.839%0.3937%0.372SS..PPolyproline II helixtrans-64.3158.7172.5-63.6-43.6000112.4V69 N71D53-V69 HydrophobicContact CB-CG1 3.74Å; D53-N71 WeakPolarHBondContact OD1-CB 3.35Å; D53-N71 PolarHBondContact OD1-N 3.24Å
54K91.9Very high82.3Confident45 Ų4564.8 Ų64.820%0.19640%0.403CS..EExtended strand (participates in β ladder)trans-118.7137172.6-60.7-68.1169.7-790109.6S45 T46 M52 L56 V69 T70 I76S45-K54 WeakPolarHBondContact OG-CE 3.35Å; S45-K54 PolarHBondContact OG-NZ 3.24Å; T46-K54 HydrophobicContact CG2-CG 3.97Å; M52-K54 PolarHBondContact O-NZ 3.3Å; M52-K54 VanDerWaalsContact O-NZ 3.08Å; K54-L56 HydrophobicContact CB-CD2 4.44Å; K54-V69 WeakPolarHBondContact O-CA 3.29Å; K54-T70 PolarHBondContact N-O 2.87Å; K54-T70 PolarHBondContact O-N 3.06Å; K54-T70 VanDerWaalsContact O-N 3.08Å; K54-I76 HydrophobicContact CB-CD1 4.14Å; K54-I76 HydrophobicContact CB-CG1 4.35Å; K54-I76 HydrophobicContact CG-CD1 3.85Å
55I91.6Very high80.9Confident121 Ų12167.7 Ų67.762%0.62142%0.421SS*.EExtended strand (participates in β ladder)trans-89.6117.1170.9-56.6-179.9000107.5V57 V67 K68 V69I55-V57 HydrophobicContact CG2-CG2 4.01Å; I55-V67 HydrophobicContact CG2-CG1 3.6Å; I55-K68 CarbonylContact C-O 3.56Å; I55-K68 WeakPolarHBondContact CA-O 3.36Å; I55-V69 HydrophobicContact CG1-CG2 4.23Å
56L89.7Confident79.9Confident24 Ų2472.7 Ų72.713%0.12644%0.441CS..EExtended strand (participates in β ladder)trans-104.3120.8177.2-51.8172.8000107.6K54 V67 K68 T70 T75 I76K54-L56 HydrophobicContact CB-CD2 4.44Å; L56-V67 WeakPolarHBondContact O-CA 3.36Å; L56-K68 HydrophobicContact CB-CB 4.31Å; L56-K68 PolarHBondContact N-O 3.23Å; L56-K68 PolarHBondContact O-N 3.03Å; L56-T70 HydrophobicContact CD1-CG2 3.62Å; L56-T70 HydrophobicContact CG-CG2 4.41Å; L56-T75 HydrophobicContact CD1-CG2 4.27Å; L56-I76 HydrophobicContact CD1-CG1 4.32Å; L56-I76 HydrophobicContact CD2-CG1 4.49Å; L56-I76 HydrophobicContact CD2-CG2 4.35Å
57V86.2Confident79.5Confident81 Ų8175.7 Ų75.749%0.49146%0.459SS..EExtended strand (participates in β ladder)trans-115.2115.8178.8-175.10000107.7I55 V67I55-V57 HydrophobicContact CG2-CG2 4.01Å; V57-V67 HydrophobicContact CG2-CG2 4.36Å
58S77.6Confident79.1Confident47 Ų4778.3 Ų78.333%0.32947%0.47SS..EExtended strand (participates in β ladder)trans-88.1114.6175.5-175.60000110.1Q60 Q66S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.01Å; S58-Q66 PolarHBondContact N-O 3.27Å
59S68.3Low79Confident100 Ų10079.9 Ų79.970%0.69948%0.477SS*.  trans-94.456.1173.6-54.50000111
60Q65.2Low79Confident135 Ų13576.6 Ų76.663%0.63146%0.456SS*.  trans-82.5130170.6-81.1-167.8-9.300110.4S58 G62 S63S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.01Å; Q60-G62 PolarHBondContact O-N 3.34Å; Q60-G62 VanDerWaalsContact O-N 3.09Å; Q60-S63 VanDerWaalsContact CB-OG 3.31Å; Q60-S63 WeakPolarHBondContact CB-OG 3.47Å; Q60-S63 PolarHBondContact O-N 3.2Å; Q60-S63 PolarHBondContact O-OG 2.82Å
61P58.6Low78.9Confident138 Ų13872.8 Ų72.890%0.89644%0.439SS*.THydrogen-bonded Turntrans-59.8115.5176.4-19.330.2000110.9
62G58.6Low78.8Confident87 Ų8772.3 Ų72.390%0.89743%0.432SS*.THydrogen-bonded Turntrans98.5-13.4172.400000116.3Q60Q60-G62 PolarHBondContact O-N 3.34Å; Q60-G62 VanDerWaalsContact O-N 3.09Å
63S57.1Low78.8Confident37 Ų3766.8 Ų66.826%0.25941%0.405SS..SBendtrans-86.912915858.30000107.3Q60Q60-S63 VanDerWaalsContact CB-OG 3.31Å; Q60-S63 WeakPolarHBondContact CB-OG 3.47Å; Q60-S63 PolarHBondContact O-N 3.2Å; Q60-S63 PolarHBondContact O-OG 2.82Å
64G57.8Low78.8Confident62 Ų6263.4 Ų63.464%0.63939%0.387SS*.  trans-51.8152170.800000110.5Q66G64-Q66 VanDerWaalsContact C-N 3.32Å; G64-Q66 PolarHBondContact O-N 2.91Å
65D65.5Low78.6Confident121 Ų12162 Ų6265%0.64738%0.382SS*.  trans-52.293.4-178-73.2-26.2000110.4V67D65-V67 PolarHBondContact O-N 3.11Å; D65-V67 VanDerWaalsContact O-N 3.16Å
66Q74.5Confident78.7Confident138 Ų13856.3 Ų56.365%0.64535%0.353SS*.EExtended strand (participates in β ladder)trans-78107.2177.9-78-173.17.400106.7S58 G64S58-Q66 PolarHBondContact N-O 3.27Å; G64-Q66 VanDerWaalsContact C-N 3.32Å; G64-Q66 PolarHBondContact O-N 2.91Å
67V85.4Confident78.8Confident63 Ų6355.2 Ų55.238%0.38235%0.348SS..EExtended strand (participates in β ladder)trans-96.8120.3175.5-1760000108.4I55 L56 V57 D65I55-V67 HydrophobicContact CG2-CG1 3.6Å; L56-V67 WeakPolarHBondContact O-CA 3.36Å; V57-V67 HydrophobicContact CG2-CG2 4.36Å; D65-V67 PolarHBondContact O-N 3.11Å; D65-V67 VanDerWaalsContact O-N 3.16Å
68K86.9Confident78.9Confident68 Ų6859.3 Ų59.330%0.29636%0.359SS..EExtended strand (participates in β ladder)trans-116.4139.4175.6-172.6175.3-168.6176.70109.5I55 L56 T75 R395I55-K68 CarbonylContact C-O 3.56Å; I55-K68 WeakPolarHBondContact CA-O 3.36Å; L56-K68 HydrophobicContact CB-CB 4.31Å; L56-K68 PolarHBondContact N-O 3.23Å; L56-K68 PolarHBondContact O-N 3.03Å; K68-T75 HydrophobicContact CD-CG2 3.9Å; K68-T75 VanDerWaalsContact CE-CG2 3.46Å; K68-R395 VanDerWaalsContact CE-CZ 3.47Å; K68-R395 VanDerWaalsContact NZ-CZ 3.27Å
69V90Very high79.4Confident47 Ų4760.2 Ų60.229%0.28537%0.365SS..EExtended strand (participates in β ladder)trans-119.8124.5176-174.60000107.8D53 K54 I55D53-V69 HydrophobicContact CB-CG1 3.74Å; K54-V69 WeakPolarHBondContact O-CA 3.29Å; I55-V69 HydrophobicContact CG1-CG2 4.23Å
70T89.9Confident80.2Confident0 Ų058.2 Ų58.20%035%0.346CS..EExtended strand (participates in β ladder)trans-160153.1-175.4-1740000111.9K54 L56 D72 T75 I76 E392 R395K54-T70 PolarHBondContact N-O 2.87Å; K54-T70 PolarHBondContact O-N 3.06Å; K54-T70 VanDerWaalsContact O-N 3.08Å; L56-T70 HydrophobicContact CD1-CG2 3.62Å; L56-T70 HydrophobicContact CG-CG2 4.41Å; T70-D72 PolarHBondContact OG1-N 3.38Å; T70-D72 VanDerWaalsContact OG1-N 3.16Å; T70-T75 HydrophobicContact CG2-CG2 3.76Å; T70-I76 HydrophobicContact CG2-CG1 3.88Å; T70-E392 WeakPolarHBondContact CA-OE1 3.46Å; T70-E392 WeakPolarHBondContact CB-OE1 3.5Å; T70-E392 WeakPolarHBondContact CB-OE2 3.39Å; T70-E392 PolarHBondContact OG1-OE1 3Å; T70-E392 PolarHBondContact OG1-OE2 3.4Å; T70-R395 PolarHBondContact OG1-NH1 2.75Å
71N88.6Confident81.1Confident8 Ų855.5 Ų55.54%0.04336%0.355CS..  trans-99-22.5169.1-177-49.9000111.6T46 D53 G73 I76 S176T46-N71 WeakPolarHBondContact CB-O 3.33Å; T46-N71 WeakPolarHBondContact CB-OD1 3.32Å; T46-N71 VanDerWaalsContact O-CG 3.22Å; T46-N71 PolarHBondContact O-ND2 3.34Å; T46-N71 PolarHBondContact O-OD1 3.48Å; T46-N71 PolarHBondContact OG1-O 3.15Å; T46-N71 VanDerWaalsContact OG1-O 3.07Å; T46-N71 PolarHBondContact OG1-OD1 3.23Å; D53-N71 WeakPolarHBondContact OD1-CB 3.35Å; D53-N71 PolarHBondContact OD1-N 3.24Å; N71-G73 PolarHBondContact O-N 2.8Å; N71-I76 WeakPolarHBondContact O-CD1 3.32Å; N71-S176 PolarHBondContact ND2-O 2.8Å
72D89.4Confident82.4Confident7 Ų750 Ų504%0.03732%0.319CS..  trans-60.5120.9-172.5168.246.1000112.5T70 A74 T75 I76 T105T70-D72 PolarHBondContact OG1-N 3.38Å; T70-D72 VanDerWaalsContact OG1-N 3.16Å; D72-A74 VanDerWaalsContact C-N 3.34Å; D72-A74 PolarHBondContact O-N 3.37Å; D72-A74 PolarHBondContact OD1-N 2.79Å; D72-T75 PolarHBondContact O-N 2.9Å; D72-T75 VanDerWaalsContact OD2-CB 3.23Å; D72-T75 WeakPolarHBondContact OD2-CB 3.25Å; D72-T75 PolarHBondContact OD2-N 3.26Å; D72-T75 PolarHBondContact OD2-OG1 2.94Å; D72-I76 VanDerWaalsContact O-CG1 3.29Å; D72-I76 WeakPolarHBondContact O-CG1 3.46Å; D72-I76 PolarHBondContact O-N 3.41Å; D72-T105 PolarHBondContact OD1-OG1 3.47Å
73G91.2Very high83.7Confident0 Ų053 Ų530%031%0.314CS..Hα-helixtrans-59-41.8-176.900000112.9N71 T75 I76 L77 T105 T106N71-G73 PolarHBondContact O-N 2.8Å; G73-T75 PolarHBondContact O-N 3.34Å; G73-I76 PolarHBondContact O-N 3.45Å; G73-L77 WeakPolarHBondContact O-CB 3.43Å; G73-L77 WeakPolarHBondContact O-CG 3.48Å; G73-L77 PolarHBondContact O-N 3.12Å; G73-T105 PolarHBondContact N-OG1 3.11Å; G73-T106 WeakPolarHBondContact CA-OG1 3.33Å; G73-T106 PolarHBondContact N-OG1 3.24Å
74A90.5Very high85.1Confident2 Ų253 Ų532%0.01731%0.311CS..Hα-helixtrans-65.2-43-179.500000111.4D72 L77 K78 L95 D98 T105D72-A74 VanDerWaalsContact C-N 3.34Å; D72-A74 PolarHBondContact O-N 3.37Å; D72-A74 PolarHBondContact OD1-N 2.79Å; A74-L77 PolarHBondContact O-N 2.87Å; A74-K78 VanDerWaalsContact O-CB 3.31Å; A74-K78 WeakPolarHBondContact O-CB 3.31Å; A74-K78 PolarHBondContact O-N 3.09Å; A74-L95 HydrophobicContact CB-CD2 4.25Å; A74-D98 HydrophobicContact CB-CB 3.74Å; A74-T105 HydrophobicContact CB-CG2 3.74Å
75T89.1Confident86.5Confident15 Ų1552.6 Ų52.69%0.09230%0.297CS..Hα-helixtrans-62.8-45.9175.6-62.90000112.6L56 K68 T70 D72 G73 L77 K78 S79 R395L56-T75 HydrophobicContact CD1-CG2 4.27Å; K68-T75 HydrophobicContact CD-CG2 3.9Å; K68-T75 VanDerWaalsContact CE-CG2 3.46Å; T70-T75 HydrophobicContact CG2-CG2 3.76Å; D72-T75 PolarHBondContact O-N 2.9Å; D72-T75 VanDerWaalsContact OD2-CB 3.23Å; D72-T75 WeakPolarHBondContact OD2-CB 3.25Å; D72-T75 PolarHBondContact OD2-N 3.26Å; D72-T75 PolarHBondContact OD2-OG1 2.94Å; G73-T75 PolarHBondContact O-N 3.34Å; T75-L77 VanDerWaalsContact C-N 3.32Å; T75-L77 PolarHBondContact O-N 3.39Å; T75-K78 PolarHBondContact O-N 3.07Å; T75-S79 PolarHBondContact O-N 3.47Å; T75-S79 PolarHBondContact O-OG 2.61Å; T75-R395 VanDerWaalsContact OG1-CD 3.32Å; T75-R395 WeakPolarHBondContact OG1-CD 3.49Å; T75-R395 VanDerWaalsContact OG1-CZ 3.31Å; T75-R395 PolarHBondContact OG1-NE 3.3Å; T75-R395 VanDerWaalsContact OG1-NE 3.1Å; T75-R395 PolarHBondContact OG1-NH1 2.88Å; T75-R395 VanDerWaalsContact OG1-NH1 3.13Å
76I92.5Very high87.6Confident2 Ų247 Ų471%0.0127%0.267CS..Hα-helixtrans-58.1-50178.5-68.3164.8000109.2L42 L43 T46 K54 L56 T70 N71 D72 G73 K78 S79 I80L42-I76 HydrophobicContact CD2-CG2 4.37Å; L43-I76 HydrophobicContact CD2-CB 3.9Å; L43-I76 HydrophobicContact CD2-CD1 3.91Å; L43-I76 HydrophobicContact CD2-CG2 3.64Å; T46-I76 HydrophobicContact CG2-CD1 3.85Å; K54-I76 HydrophobicContact CB-CD1 4.14Å; K54-I76 HydrophobicContact CB-CG1 4.35Å; K54-I76 HydrophobicContact CG-CD1 3.85Å; L56-I76 HydrophobicContact CD1-CG1 4.32Å; L56-I76 HydrophobicContact CD2-CG1 4.49Å; L56-I76 HydrophobicContact CD2-CG2 4.35Å; T70-I76 HydrophobicContact CG2-CG1 3.88Å; N71-I76 WeakPolarHBondContact O-CD1 3.32Å; D72-I76 VanDerWaalsContact O-CG1 3.29Å; D72-I76 WeakPolarHBondContact O-CG1 3.46Å; D72-I76 PolarHBondContact O-N 3.41Å; G73-I76 PolarHBondContact O-N 3.45Å; I76-K78 PolarHBondContact O-N 3.44Å; I76-S79 PolarHBondContact O-N 3Å; I76-S79 VanDerWaalsContact O-N 3.12Å; I76-I80 HydrophobicContact CG2-CD1 3.66Å; I76-I80 WeakPolarHBondContact O-CD1 3.19Å; I76-I80 WeakPolarHBondContact O-CG1 3.49Å; I76-I80 PolarHBondContact O-N 3.29Å
77L92.4Very high88.4Confident2 Ų240.5 Ų40.51%0.0124%0.237CC..Hα-helixtrans-67.3-36.4-177.1-69176.3000113.5I39 L43 G73 A74 T75 S79 I80 V91 V109I39-L77 HydrophobicContact CD1-CD2 4.24Å; I39-L77 HydrophobicContact CG2-CD2 3.56Å; L43-L77 HydrophobicContact CD1-CD1 3.61Å; L43-L77 HydrophobicContact CD1-CD2 4.11Å; L43-L77 HydrophobicContact CD1-CG 3.87Å; L43-L77 HydrophobicContact CD2-CG 4.46Å; L43-L77 HydrophobicContact CG-CD2 4.32Å; L43-L77 HydrophobicContact CG-CG 4.46Å; G73-L77 WeakPolarHBondContact O-CB 3.43Å; G73-L77 WeakPolarHBondContact O-CG 3.48Å; G73-L77 PolarHBondContact O-N 3.12Å; A74-L77 PolarHBondContact O-N 2.87Å; T75-L77 VanDerWaalsContact C-N 3.32Å; T75-L77 PolarHBondContact O-N 3.39Å; L77-S79 PolarHBondContact O-N 3.02Å; L77-I80 PolarHBondContact O-N 3Å; L77-V91 HydrophobicContact CB-CB 4.47Å; L77-V91 HydrophobicContact CB-CG1 4.12Å; L77-V91 HydrophobicContact CB-CG2 4.1Å; L77-V91 HydrophobicContact CD2-CG2 4.09Å; L77-V91 HydrophobicContact CG-CG2 4.46Å; L77-V109 HydrophobicContact CD1-CG2 3.78Å
78K88.9Confident88.7Confident166 Ų16642.3 Ų42.372%0.72224%0.24SC*.Hα-helixtrans-63.3-24.7174-169.7173.7-179176.80113A74 T75 I76 L95A74-K78 VanDerWaalsContact O-CB 3.31Å; A74-K78 WeakPolarHBondContact O-CB 3.31Å; A74-K78 PolarHBondContact O-N 3.09Å; T75-K78 PolarHBondContact O-N 3.07Å; I76-K78 PolarHBondContact O-N 3.44Å; K78-L95 HydrophobicContact CB-CD2 4.26Å
79S87.3Confident89Confident67 Ų6740.5 Ų40.547%0.46924%0.235SC..Hα-helixtrans-93-10-174.8-52.60000113.4T75 I76 L77T75-S79 PolarHBondContact O-N 3.47Å; T75-S79 PolarHBondContact O-OG 2.61Å; I76-S79 PolarHBondContact O-N 3Å; I76-S79 VanDerWaalsContact O-N 3.12Å; L77-S79 PolarHBondContact O-N 3.02Å
80I85.4Confident89.1Confident58 Ų5838.4 Ų38.430%0.29722%0.222SC..SBendtrans-103.5130.8-175-64.3168.2000109.8L42 I76 L77 V82L42-I80 HydrophobicContact CD2-CD1 3.32Å; I76-I80 HydrophobicContact CG2-CD1 3.66Å; I76-I80 WeakPolarHBondContact O-CD1 3.19Å; I76-I80 WeakPolarHBondContact O-CG1 3.49Å; I76-I80 PolarHBondContact O-N 3.29Å; L77-I80 PolarHBondContact O-N 3Å; I80-V82 HydrophobicContact CG2-CG2 4.02Å; I80-V82 PolarHBondContact O-N 3.32Å
81G83.1Confident89.3Confident78 Ų7839.2 Ų39.280%0.80423%0.227SC*.  trans-72.1114.3168.200000110
82V86.3Confident89.6Confident23 Ų2343.3 Ų43.314%0.13925%0.249CC..  trans-113.5120.4-179.4178.30000109.2I39 I80 A87 K88 V91I39-V82 HydrophobicContact CD1-CG2 4.01Å; I80-V82 HydrophobicContact CG2-CG2 4.02Å; I80-V82 PolarHBondContact O-N 3.32Å; V82-A87 HydrophobicContact CG1-CB 3.22Å; V82-K88 HydrophobicContact CB-CG 4.35Å; V82-K88 HydrophobicContact CG1-CG 4.07Å; V82-K88 WeakPolarHBondContact O-CE 3.46Å; V82-V91 HydrophobicContact CG2-CG2 4.05Å
83D85.2Confident89.8Confident150 Ų15044.4 Ų44.480%0.80225%0.254SS*.  trans-92-31.3177.9-68.8-35.7000113
84N87.9Confident90Very high36 Ų3644.4 Ų44.419%0.19325%0.254CS..SBendtrans-68.4127-178.2-179.3-71.6000111.4S31 A86 A87 K88S31-N84 PolarHBondContact O-ND2 3.11Å; N84-A86 PolarHBondContact O-N 3.46Å; N84-A86 WeakPolarHBondContact OD1-CA 3.13Å; N84-A86 WeakPolarHBondContact OD1-CB 3.43Å; N84-A86 PolarHBondContact OD1-N 3.45Å; N84-A87 HydrophobicContact CB-CB 3.89Å; N84-A87 WeakPolarHBondContact O-CB 3.48Å; N84-A87 PolarHBondContact O-N 3.27Å; N84-A87 PolarHBondContact OD1-N 3.5Å; N84-K88 PolarHBondContact O-N 3.03Å
85P86.5Confident90.2Very high54 Ų5447 Ų4735%0.35127%0.267SS..Hα-helixtrans-61.5-38.1-177.3-25.434.5000114.4K88 V89 I527P85-K88 WeakPolarHBondContact O-CB 3.45Å; P85-K88 PolarHBondContact O-N 3.07Å; P85-V89 PolarHBondContact O-N 3.27Å; P85-V89 VanDerWaalsContact O-N 3.08Å; P85-I527 HydrophobicContact CG-CG2 4.07Å
86A88.4Confident90.4Very high2 Ų250 Ų502%0.01729%0.286CS..Hα-helixtrans-70.7-36.2179.800000111.9S32 A36 N84 V89 L90 L521S32-A86 WeakPolarHBondContact O-CB 3.37Å; A36-A86 HydrophobicContact CB-CB 4.33Å; N84-A86 PolarHBondContact O-N 3.46Å; N84-A86 WeakPolarHBondContact OD1-CA 3.13Å; N84-A86 WeakPolarHBondContact OD1-CB 3.43Å; N84-A86 PolarHBondContact OD1-N 3.45Å; A86-V89 WeakPolarHBondContact O-CB 3.39Å; A86-V89 PolarHBondContact O-N 3.23Å; A86-L90 PolarHBondContact O-N 2.9Å; A86-L521 HydrophobicContact CB-CD1 4.07Å; A86-L521 HydrophobicContact CB-CD2 3.56Å; A86-L521 HydrophobicContact CB-CG 4.38Å
87A91.7Very high90.5Very high2 Ų250 Ų502%0.01729%0.285CS..Hα-helixtrans-62.1-42170.500000111.5I39 V82 N84 V89 L90 V91I39-A87 HydrophobicContact CD1-CB 4.32Å; I39-A87 HydrophobicContact CG1-CB 3.5Å; V82-A87 HydrophobicContact CG1-CB 3.22Å; N84-A87 HydrophobicContact CB-CB 3.89Å; N84-A87 WeakPolarHBondContact O-CB 3.48Å; N84-A87 PolarHBondContact O-N 3.27Å; N84-A87 PolarHBondContact OD1-N 3.5Å; A87-V89 VanDerWaalsContact C-N 3.32Å; A87-V89 PolarHBondContact O-N 3.37Å; A87-L90 PolarHBondContact O-N 3.26Å; A87-L90 VanDerWaalsContact O-N 3.11Å; A87-V91 WeakPolarHBondContact O-CG2 3.49Å; A87-V91 PolarHBondContact O-N 3.32Å
88K91.7Very high90.5Very high102 Ų10252 Ų5244%0.44330%0.297SS..Hα-helixtrans-59.2-40.7173.9-70.5-179.2-177.51770112.6V82 N84 P85 L90 V91 D92V82-K88 HydrophobicContact CB-CG 4.35Å; V82-K88 HydrophobicContact CG1-CG 4.07Å; V82-K88 WeakPolarHBondContact O-CE 3.46Å; N84-K88 PolarHBondContact O-N 3.03Å; P85-K88 WeakPolarHBondContact O-CB 3.45Å; P85-K88 PolarHBondContact O-N 3.07Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.27Å; K88-V91 WeakPolarHBondContact O-CB 3.36Å; K88-V91 PolarHBondContact O-N 2.96Å; K88-V91 VanDerWaalsContact O-N 3.13Å; K88-D92 PolarHBondContact O-N 2.93Å
89V92.4Very high90.6Very high30 Ų3048.4 Ų48.418%0.18229%0.292CS..Hα-helixtrans-56.9-44173.8163.90000111.5P85 A86 A87 V91 D92 I93 M520 L521P85-V89 PolarHBondContact O-N 3.27Å; P85-V89 VanDerWaalsContact O-N 3.08Å; A86-V89 WeakPolarHBondContact O-CB 3.39Å; A86-V89 PolarHBondContact O-N 3.23Å; A87-V89 VanDerWaalsContact C-N 3.32Å; A87-V89 PolarHBondContact O-N 3.37Å; V89-V91 VanDerWaalsContact C-N 3.35Å; V89-D92 PolarHBondContact O-N 3.08Å; V89-I93 HydrophobicContact CG1-CD1 3.85Å; V89-I93 WeakPolarHBondContact O-CB 2.77Å; V89-I93 VanDerWaalsContact O-CG1 3.27Å; V89-I93 WeakPolarHBondContact O-CG1 3.45Å; V89-I93 PolarHBondContact O-N 3.23Å; V89-M520 HydrophobicContact CB-CE 4.05Å; V89-M520 HydrophobicContact CG1-CE 3.15Å; V89-M520 HydrophobicContact CG2-CE 3.68Å; V89-L521 HydrophobicContact CB-CD2 4.04Å; V89-L521 HydrophobicContact CG1-CD1 4.21Å; V89-L521 HydrophobicContact CG1-CD2 4.07Å; V89-L521 HydrophobicContact CG1-CG 4.14Å; V89-L521 HydrophobicContact CG2-CD2 4.06Å
90L93.5Very high90.7Very high2 Ų251.1 Ų51.11%0.0130%0.297CS..Hα-helixtrans-68-34.9177-63.7-168.6000112.5A36 I39 A86 A87 K88 S94 V109 A112 A517 L521A36-L90 HydrophobicContact CB-CD1 3.77Å; A36-L90 HydrophobicContact CB-CG 4.41Å; A36-L90 WeakPolarHBondContact O-CD1 3.28Å; I39-L90 HydrophobicContact CG2-CB 4.44Å; A86-L90 PolarHBondContact O-N 2.9Å; A87-L90 PolarHBondContact O-N 3.26Å; A87-L90 VanDerWaalsContact O-N 3.11Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.07Å; L90-V109 HydrophobicContact CB-CG1 4.32Å; L90-V109 HydrophobicContact CD1-CG1 4.21Å; L90-A112 HydrophobicContact CD2-CB 3.61Å; L90-A517 HydrophobicContact CD2-CB 3.92Å; L90-L521 HydrophobicContact CD2-CD1 4.14Å; L90-L521 HydrophobicContact CG-CD1 4.37Å
91V94.4Very high90.9Very high17 Ų1748.5 Ų48.510%0.10328%0.284CS..Hα-helixtrans-58.9-53.1172174.20000110.4L77 V82 A87 K88 V89 I93 S94 L95L77-V91 HydrophobicContact CB-CB 4.47Å; L77-V91 HydrophobicContact CB-CG1 4.12Å; L77-V91 HydrophobicContact CB-CG2 4.1Å; L77-V91 HydrophobicContact CD2-CG2 4.09Å; L77-V91 HydrophobicContact CG-CG2 4.46Å; V82-V91 HydrophobicContact CG2-CG2 4.05Å; A87-V91 WeakPolarHBondContact O-CG2 3.49Å; A87-V91 PolarHBondContact O-N 3.32Å; K88-V91 WeakPolarHBondContact O-CB 3.36Å; K88-V91 PolarHBondContact O-N 2.96Å; K88-V91 VanDerWaalsContact O-N 3.13Å; V89-V91 VanDerWaalsContact C-N 3.35Å; V91-I93 VanDerWaalsContact C-N 3.3Å; V91-I93 PolarHBondContact O-N 2.84Å; V91-S94 WeakPolarHBondContact O-CB 3.15Å; V91-S94 PolarHBondContact O-N 3.31Å; V91-S94 VanDerWaalsContact O-N 3.13Å; V91-L95 HydrophobicContact CG1-CD1 4.12Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 3.05Å
92D93.9Very high91Very high95 Ų9544.8 Ų44.851%0.50825%0.246SC..Hα-helixtrans-60.3-41.7-178.2-68.6-22.4000111.5K88 V89 S94 L95 V96K88-D92 PolarHBondContact O-N 2.93Å; V89-D92 PolarHBondContact O-N 3.08Å; D92-S94 VanDerWaalsContact C-N 3.35Å; D92-S94 PolarHBondContact O-N 3.1Å; D92-L95 PolarHBondContact O-N 3Å; D92-V96 WeakPolarHBondContact O-CG2 3.38Å; D92-V96 PolarHBondContact O-N 2.94Å
93I94.1Very high91.2Very high30 Ų3045.3 Ų45.315%0.15425%0.248CC..Hα-helixtrans-66.9-36.6178.5-70.8174.2000111.8V89 V91 L95 V96 Q97 V108 A517V89-I93 HydrophobicContact CG1-CD1 3.85Å; V89-I93 WeakPolarHBondContact O-CB 2.77Å; V89-I93 VanDerWaalsContact O-CG1 3.27Å; V89-I93 WeakPolarHBondContact O-CG1 3.45Å; V89-I93 PolarHBondContact O-N 3.23Å; V91-I93 VanDerWaalsContact C-N 3.3Å; V91-I93 PolarHBondContact O-N 2.84Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-V96 PolarHBondContact O-N 3.28Å; I93-Q97 WeakPolarHBondContact O-CB 3.48Å; I93-Q97 PolarHBondContact O-N 3.39Å; I93-V108 HydrophobicContact CG2-CG1 3.42Å; I93-V108 VanDerWaalsContact CG2-CG1 3.42Å; I93-A517 HydrophobicContact CD1-CB 3.24Å
94S94.5Very high91.6Very high0 Ų038.6 Ų38.60%021%0.214CC..Hα-helixtrans-62.9-40.8172.3-172.40000112L90 V91 D92 Q97 D98 T105L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.07Å; V91-S94 WeakPolarHBondContact O-CB 3.15Å; V91-S94 PolarHBondContact O-N 3.31Å; V91-S94 VanDerWaalsContact O-N 3.13Å; D92-S94 VanDerWaalsContact C-N 3.35Å; D92-S94 PolarHBondContact O-N 3.1Å; S94-Q97 PolarHBondContact O-N 3.44Å; S94-D98 PolarHBondContact O-N 3.12Å; S94-T105 WeakPolarHBondContact OG-CB 3.38Å
95L94.2Very high91.8Very high56 Ų5637 Ų3729%0.29321%0.206SC..Hα-helixtrans-69.2-37.6178.2-64.3174.9000111.8A74 K78 V91 D92 I93 D98 S99A74-L95 HydrophobicContact CB-CD2 4.25Å; K78-L95 HydrophobicContact CB-CD2 4.26Å; V91-L95 HydrophobicContact CG1-CD1 4.12Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 3.05Å; D92-L95 PolarHBondContact O-N 3Å; I93-L95 VanDerWaalsContact C-N 3.34Å; L95-D98 WeakPolarHBondContact O-CB 3.28Å; L95-D98 PolarHBondContact O-N 3.29Å; L95-S99 PolarHBondContact O-N 3.25Å; L95-S99 PolarHBondContact O-OG 2.91Å
96V95Very high92.2Very high78 Ų7835 Ų3547%0.47319%0.192SC..Hα-helixtrans-63.9-45.6173.7171.30000110.4D92 I93 D98 S99 E100D92-V96 WeakPolarHBondContact O-CG2 3.38Å; D92-V96 PolarHBondContact O-N 2.94Å; I93-V96 PolarHBondContact O-N 3.28Å; V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 PolarHBondContact O-N 3.39Å; V96-S99 WeakPolarHBondContact CA-OG 3.35Å; V96-S99 PolarHBondContact O-N 3.1Å; V96-S99 PolarHBondContact O-OG 3.46Å; V96-E100 HydrophobicContact CG1-CG 4.1Å; V96-E100 WeakPolarHBondContact O-CB 3.4Å; V96-E100 WeakPolarHBondContact O-CG 3.32Å; V96-E100 PolarHBondContact O-N 2.92Å
97Q94.8Very high92.6Very high1 Ų136.2 Ų36.21%0.00520%0.2CC..Hα-helixtrans-58.4-42.3176.5-179.872.77.100111.8I93 S94 V101 G102 D103 V108 S509I93-Q97 WeakPolarHBondContact O-CB 3.48Å; I93-Q97 PolarHBondContact O-N 3.39Å; S94-Q97 PolarHBondContact O-N 3.44Å; Q97-V101 VanDerWaalsContact CD-CG2 3.44Å; Q97-V101 HydrophobicContact CG-CG2 4.06Å; Q97-V101 VanDerWaalsContact O-CG2 3.25Å; Q97-V101 WeakPolarHBondContact O-CG2 3.5Å; Q97-V101 PolarHBondContact O-N 3.13Å; Q97-G102 PolarHBondContact O-N 2.75Å; Q97-D103 WeakPolarHBondContact CG-O 3.48Å; Q97-D103 PolarHBondContact NE2-O 2.98Å; Q97-V108 HydrophobicContact CB-CG2 4.22Å; Q97-V108 HydrophobicContact CG-CG2 3.72Å; Q97-S509 PolarHBondContact OE1-OG 2.67Å
98D92.2Very high92.8Very high46 Ų4636.1 Ų36.125%0.24620%0.199CC..Hα-helixtrans-60.5-49174.2-170.849.1000111.6A74 S94 L95 V96 E100 G102 T105A74-D98 HydrophobicContact CB-CB 3.74Å; S94-D98 PolarHBondContact O-N 3.12Å; L95-D98 WeakPolarHBondContact O-CB 3.28Å; L95-D98 PolarHBondContact O-N 3.29Å; V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 PolarHBondContact O-N 3.39Å; D98-E100 PolarHBondContact O-N 2.8Å; D98-G102 WeakPolarHBondContact O-CA 3.34Å; D98-G102 PolarHBondContact O-N 3.41Å; D98-T105 HydrophobicContact CB-CG2 3.68Å
99S90.3Very high93.1Very high89 Ų8931.3 Ų31.362%0.62218%0.178SC*.Hα-helixtrans-68.1-32.7-178.967.80000114.4L95 V96L95-S99 PolarHBondContact O-N 3.25Å; L95-S99 PolarHBondContact O-OG 2.91Å; V96-S99 WeakPolarHBondContact CA-OG 3.35Å; V96-S99 PolarHBondContact O-N 3.1Å; V96-S99 PolarHBondContact O-OG 3.46Å
100E89.1Confident93.3Very high124 Ų12430 Ų3058%0.57917%0.17SC*.Hα-helixtrans-88.2-37.7-175.6-76.1-69.5138.700112.8V96 D98 I406V96-E100 HydrophobicContact CG1-CG 4.1Å; V96-E100 WeakPolarHBondContact O-CB 3.4Å; V96-E100 WeakPolarHBondContact O-CG 3.32Å; V96-E100 PolarHBondContact O-N 2.92Å; D98-E100 PolarHBondContact O-N 2.8Å; E100-I406 VanDerWaalsContact O-CD1 3.27Å; E100-I406 WeakPolarHBondContact O-CD1 3.4Å
101V89.8Confident93.5Very high3 Ų330.3 Ų30.32%0.01817%0.172CC..Hα-helixtrans-129.4-10-176.6-53.30000117Q97 D103 I406 V506Q97-V101 VanDerWaalsContact CD-CG2 3.44Å; Q97-V101 HydrophobicContact CG-CG2 4.06Å; Q97-V101 VanDerWaalsContact O-CG2 3.25Å; Q97-V101 WeakPolarHBondContact O-CG2 3.5Å; Q97-V101 PolarHBondContact O-N 3.13Å; V101-D103 WeakPolarHBondContact CG2-O 3.48Å; V101-D103 PolarHBondContact O-N 3.38Å; V101-I406 HydrophobicContact CB-CD1 3.88Å; V101-I406 HydrophobicContact CG1-CD1 4.09Å; V101-V506 HydrophobicContact CB-CG2 4.15Å; V101-V506 HydrophobicContact CG2-CG1 4.34Å; V101-V506 HydrophobicContact CG2-CG2 4.34Å
102G85.8Confident93.7Very high1 Ų129.5 Ų29.51%0.0117%0.167CC..SBendtrans71.4-0.3175.500000116Q97 D98 D399Q97-G102 PolarHBondContact O-N 2.75Å; D98-G102 WeakPolarHBondContact O-CA 3.34Å; D98-G102 PolarHBondContact O-N 3.41Å; G102-D399 WeakPolarHBondContact O-CB 3.35Å
103D90.6Very high93.8Very high34 Ų3425.3 Ų25.318%0.18215%0.146CC..SBendtrans-154.6165.3-179-164.118.1000112.3Q97 V101 T105 T173 V403 V506Q97-D103 WeakPolarHBondContact CG-O 3.48Å; Q97-D103 PolarHBondContact NE2-O 2.98Å; V101-D103 WeakPolarHBondContact CG2-O 3.48Å; V101-D103 PolarHBondContact O-N 3.38Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-T173 WeakPolarHBondContact OD2-CG2 3.38Å; D103-T173 PolarHBondContact OD2-OG1 3Å; D103-T173 VanDerWaalsContact OD2-OG1 3.08Å; D103-V403 HydrophobicContact CB-CG2 3.37Å; D103-V506 HydrophobicContact CB-CG1 4.3Å
104G91.9Very high94Very high9 Ų924.2 Ų24.29%0.09314%0.14CC..  trans77.915.5-178.100000114.2T106 T107 V108G104-T106 PolarHBondContact O-N 2.86Å; G104-T107 WeakPolarHBondContact O-CB 3.33Å; G104-T107 PolarHBondContact O-N 3.19Å; G104-T107 VanDerWaalsContact O-N 3.1Å; G104-V108 WeakPolarHBondContact O-CG2 3.41Å; G104-V108 PolarHBondContact O-N 3.49Å
105T93.8Very high94.2Very high3 Ų324.2 Ų24.22%0.01814%0.14CC..Hα-helixtrans-53.4-51.4178.655.90000111.4D72 G73 A74 S94 D98 D103 T107 V108 V109D72-T105 PolarHBondContact OD1-OG1 3.47Å; G73-T105 PolarHBondContact N-OG1 3.11Å; A74-T105 HydrophobicContact CB-CG2 3.74Å; S94-T105 WeakPolarHBondContact OG-CB 3.38Å; D98-T105 HydrophobicContact CB-CG2 3.68Å; D103-T105 VanDerWaalsContact C-N 3.33Å; T105-T107 PolarHBondContact O-N 2.63Å; T105-V108 PolarHBondContact O-N 3.39Å; T105-V109 WeakPolarHBondContact O-CG2 3.35Å; T105-V109 PolarHBondContact O-N 2.77Å
106T94.6Very high94.3Very high10 Ų1021.5 Ų21.56%0.06113%0.126CC..Hα-helixtrans-60-45173.7-53.40000112.2L43 T46 L47 G73 G104 V108 V109 V110L43-T106 HydrophobicContact CB-CG2 4.18Å; T46-T106 WeakPolarHBondContact OG1-CG2 3.38Å; L47-T106 HydrophobicContact CB-CG2 3.9Å; L47-T106 HydrophobicContact CD1-CG2 3.84Å; L47-T106 HydrophobicContact CG-CG2 4.44Å; G73-T106 WeakPolarHBondContact CA-OG1 3.33Å; G73-T106 PolarHBondContact N-OG1 3.24Å; G104-T106 PolarHBondContact O-N 2.86Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 PolarHBondContact O-N 3.27Å; T106-V109 PolarHBondContact O-N 2.89Å; T106-V110 HydrophobicContact CG2-CG2 4.1Å; T106-V110 WeakPolarHBondContact O-CB 3.38Å; T106-V110 VanDerWaalsContact O-CG2 3.27Å; T106-V110 WeakPolarHBondContact O-CG2 3.33Å; T106-V110 PolarHBondContact O-N 3.08Å
107T95.8Very high94.3Very high28 Ų2822.6 Ų22.617%0.17213%0.125CC..Hα-helixtrans-60-42-177.8-53.40000111.8L47 G104 T105 L111 I453L47-T107 WeakPolarHBondContact CD1-OG1 3.38Å; G104-T107 WeakPolarHBondContact O-CB 3.33Å; G104-T107 PolarHBondContact O-N 3.19Å; G104-T107 VanDerWaalsContact O-N 3.1Å; T105-T107 PolarHBondContact O-N 2.63Å; T107-L111 WeakPolarHBondContact O-CB 3.47Å; T107-L111 PolarHBondContact O-N 2.99Å; T107-I453 HydrophobicContact CG2-CD1 4.43Å
108V96.8Very high94.4Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-62-47.1179.71780000111.5I93 Q97 G104 T105 T106 A112 A510 A514I93-V108 HydrophobicContact CG2-CG1 3.42Å; I93-V108 VanDerWaalsContact CG2-CG1 3.42Å; Q97-V108 HydrophobicContact CB-CG2 4.22Å; Q97-V108 HydrophobicContact CG-CG2 3.72Å; G104-V108 WeakPolarHBondContact O-CG2 3.41Å; G104-V108 PolarHBondContact O-N 3.49Å; T105-V108 PolarHBondContact O-N 3.39Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 PolarHBondContact O-N 3.27Å; V108-A112 VanDerWaalsContact O-CB 3.29Å; V108-A112 WeakPolarHBondContact O-CB 3.46Å; V108-A112 PolarHBondContact O-N 3.19Å; V108-A510 VanDerWaalsContact CG2-CA 3.41Å; V108-A510 HydrophobicContact CG2-CB 3.52Å; V108-A514 HydrophobicContact CG1-CB 4.24Å; V108-A514 WeakPolarHBondContact O-CB 3.4Å
109V97.2Very high94.5Very high1 Ų122 Ų221%0.00612%0.12CC..Hα-helixtrans-67.9-46.1-177.21770000111I39 L43 L77 L90 T105 T106 A112 A113I39-V109 HydrophobicContact CG2-CG1 3.58Å; L43-V109 HydrophobicContact CD1-CB 3.91Å; L43-V109 HydrophobicContact CD1-CG1 3.8Å; L43-V109 HydrophobicContact CD1-CG2 4.12Å; L77-V109 HydrophobicContact CD1-CG2 3.78Å; L90-V109 HydrophobicContact CB-CG1 4.32Å; L90-V109 HydrophobicContact CD1-CG1 4.21Å; T105-V109 WeakPolarHBondContact O-CG2 3.35Å; T105-V109 PolarHBondContact O-N 2.77Å; T106-V109 PolarHBondContact O-N 2.89Å; V109-A112 PolarHBondContact O-N 3.43Å; V109-A113 WeakPolarHBondContact O-CB 3.15Å; V109-A113 PolarHBondContact O-N 3.42Å
110V97.4Very high94.7Very high3 Ų319.4 Ų19.42%0.01810%0.099CC..Hα-helixtrans-62.6-44.2177.9170.70000110.8L43 K44 L47 T106 A113 S114 I453 I456L43-V110 HydrophobicContact CB-CG2 4.42Å; K44-V110 HydrophobicContact CB-CG2 4.11Å; L47-V110 HydrophobicContact CD2-CG1 4.37Å; T106-V110 HydrophobicContact CG2-CG2 4.1Å; T106-V110 WeakPolarHBondContact O-CB 3.38Å; T106-V110 VanDerWaalsContact O-CG2 3.27Å; T106-V110 WeakPolarHBondContact O-CG2 3.33Å; T106-V110 PolarHBondContact O-N 3.08Å; V110-A113 PolarHBondContact O-N 3.46Å; V110-S114 WeakPolarHBondContact O-CB 3.39Å; V110-S114 PolarHBondContact O-N 3.21Å; V110-S114 PolarHBondContact O-OG 2.92Å; V110-I453 HydrophobicContact CB-CD1 4.36Å; V110-I453 HydrophobicContact CG1-CD1 3.74Å; V110-I456 HydrophobicContact CG1-CD1 3.28Å
111L98.2Very high94.9Very high8 Ų819 Ų194%0.0429%0.091CC..Hα-helixtrans-66.3-41.6178.7-177.758.3000111.7T107 S114 L115 A449 L450 I453 A514T107-L111 WeakPolarHBondContact O-CB 3.47Å; T107-L111 PolarHBondContact O-N 2.99Å; L111-S114 WeakPolarHBondContact O-CB 3.43Å; L111-S114 PolarHBondContact O-N 3.43Å; L111-L115 HydrophobicContact CG-CD1 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 3.38Å; L111-A449 HydrophobicContact CD1-CB 4.43Å; L111-L450 HydrophobicContact CD1-CD2 4.16Å; L111-L450 HydrophobicContact CD2-CD2 4.36Å; L111-I453 HydrophobicContact CB-CD1 4.35Å; L111-A514 HydrophobicContact CB-CB 3.78Å; L111-A514 HydrophobicContact CD2-CB 3.74Å; L111-A514 HydrophobicContact CG-CB 3.72Å
112A97.6Very high95.1Very high0 Ų019.1 Ų19.10%09%0.092CC..Hα-helixtrans-62.1-46.3175.900000111.8L90 V108 V109 S114 L115 L116 A514 A517L90-A112 HydrophobicContact CD2-CB 3.61Å; V108-A112 VanDerWaalsContact O-CB 3.29Å; V108-A112 WeakPolarHBondContact O-CB 3.46Å; V108-A112 PolarHBondContact O-N 3.19Å; V109-A112 PolarHBondContact O-N 3.43Å; A112-S114 VanDerWaalsContact C-N 3.3Å; A112-S114 PolarHBondContact O-N 3.27Å; A112-L115 PolarHBondContact O-N 3.13Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 2.93Å; A112-A514 HydrophobicContact CB-CB 4.23Å; A112-A517 HydrophobicContact CB-CB 3.96Å
113A96.9Very high95.4Very high8 Ų820.8 Ų20.87%0.06610%0.1CC..Hα-helixtrans-61.4-39.4175.100000111.9V109 V110 L116 K117V109-A113 WeakPolarHBondContact O-CB 3.15Å; V109-A113 PolarHBondContact O-N 3.42Å; V110-A113 PolarHBondContact O-N 3.46Å; A113-L116 PolarHBondContact O-N 3.31Å; A113-K117 WeakPolarHBondContact O-CB 3.28Å; A113-K117 PolarHBondContact O-N 3Å
114S97.4Very high95.4Very high6 Ų624.6 Ų24.64%0.04212%0.117CC..Hα-helixtrans-64.4-41.6176.7-56.60000111.9V110 L111 A112 K117 Q118 H452V110-S114 WeakPolarHBondContact O-CB 3.39Å; V110-S114 PolarHBondContact O-N 3.21Å; V110-S114 PolarHBondContact O-OG 2.92Å; L111-S114 WeakPolarHBondContact O-CB 3.43Å; L111-S114 PolarHBondContact O-N 3.43Å; A112-S114 VanDerWaalsContact C-N 3.3Å; A112-S114 PolarHBondContact O-N 3.27Å; S114-K117 PolarHBondContact O-N 2.92Å; S114-Q118 VanDerWaalsContact O-CG 3.32Å; S114-Q118 WeakPolarHBondContact O-CG 3.4Å; S114-Q118 PolarHBondContact O-N 3.48Å; S114-Q118 VanDerWaalsContact O-N 3.07Å; S114-H452 PolarHBondContact OG-ND1 3.28Å
115L98.1Very high95.4Very high0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-61.7-46173.5-74.3168000111L111 A112 K117 Q118 A119 W137 F446 A449 A518L111-L115 HydrophobicContact CG-CD1 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 3.38Å; A112-L115 PolarHBondContact O-N 3.13Å; L115-K117 VanDerWaalsContact C-N 3.35Å; L115-K117 PolarHBondContact O-N 3.28Å; L115-Q118 CarbonylContact O-C 3.58Å; L115-Q118 WeakPolarHBondContact O-CB 3.31Å; L115-Q118 PolarHBondContact O-N 3.06Å; L115-Q118 VanDerWaalsContact O-N 3.09Å; L115-A119 PolarHBondContact O-N 3.11Å; L115-W137 HydrophobicContact CB-CH2 3.82Å; L115-W137 HydrophobicContact CB-CZ2 4.14Å; L115-W137 HydrophobicContact CB-CZ3 4.28Å; L115-W137 HydrophobicContact CD2-CD2 4.47Å; L115-W137 HydrophobicContact CD2-CZ2 4.15Å; L115-W137 WeakPolarHBondContact O-CH2 3.38Å; L115-W137 WeakPolarHBondContact O-CZ2 3.37Å; L115-F446 HydrophobicContact CD1-CE2 3.99Å; L115-F446 HydrophobicContact CD1-CZ 4.38Å; L115-F446 HydrophobicContact CD2-CB 4.39Å; L115-F446 HydrophobicContact CD2-CD2 3.39Å; L115-F446 HydrophobicContact CD2-CE2 3.66Å; L115-F446 HydrophobicContact CD2-CG 3.87Å; L115-F446 HydrophobicContact CD2-CZ 4.32Å; L115-A449 HydrophobicContact CD2-CB 3.59Å; L115-A449 HydrophobicContact CG-CB 3.9Å; L115-A518 HydrophobicContact CB-CB 3.65Å; L115-A518 HydrophobicContact CD1-CB 3.89Å; L115-A518 HydrophobicContact CG-CB 4.42Å
116L96.3Very high95.2Very high0 Ų033 Ų330%015%0.154CC..Hα-helixtrans-62.8-40.5179.1-68165.1000112.4F33 A36 A112 A113 Q118 A119 E120 A518 L521F33-L116 HydrophobicContact CD1-CB 4.41Å; F33-L116 HydrophobicContact CD1-CD2 3.79Å; F33-L116 HydrophobicContact CE1-CD2 3.52Å; F33-L116 HydrophobicContact CZ-CD2 4.21Å; A36-L116 HydrophobicContact CB-CD1 3.47Å; A36-L116 VanDerWaalsContact CB-CD1 3.47Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 2.93Å; A113-L116 PolarHBondContact O-N 3.31Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.02Å; L116-A119 WeakPolarHBondContact O-CB 3.27Å; L116-A119 PolarHBondContact O-N 3.38Å; L116-A119 VanDerWaalsContact O-N 3.12Å; L116-E120 PolarHBondContact O-N 3.02Å; L116-A518 HydrophobicContact CD2-CB 4.37Å; L116-A518 HydrophobicContact CG-CB 4.29Å; L116-L521 HydrophobicContact CD1-CB 4.32Å; L116-L521 HydrophobicContact CD1-CD1 3.65Å; L116-L521 HydrophobicContact CD2-CB 3.87Å
117K95.7Very high95Very high101 Ų10139.7 Ų39.744%0.43918%0.184SC..Hα-helixtrans-60.1-38.3172.4-171.1172.3-175.7173.80112.4M37 A113 S114 L115 R121M37-K117 HydrophobicContact CG-CB 4.44Å; M37-K117 HydrophobicContact SD-CB 3.75Å; M37-K117 HydrophobicContact SD-CD 4.33Å; M37-K117 HydrophobicContact SD-CG 3.9Å; A113-K117 WeakPolarHBondContact O-CB 3.28Å; A113-K117 PolarHBondContact O-N 3Å; S114-K117 PolarHBondContact O-N 2.92Å; L115-K117 VanDerWaalsContact C-N 3.35Å; L115-K117 PolarHBondContact O-N 3.28Å; K117-R121 PolarHBondContact O-N 3.07Å
118Q96.5Very high94.9Very high33 Ų3338.8 Ų38.815%0.15418%0.178CC..Hα-helixtrans-70.2-35.6174.4-69-61.5-42.200112.3S114 L115 L116 L122 S445 A449S114-Q118 VanDerWaalsContact O-CG 3.32Å; S114-Q118 WeakPolarHBondContact O-CG 3.4Å; S114-Q118 PolarHBondContact O-N 3.48Å; S114-Q118 VanDerWaalsContact O-N 3.07Å; L115-Q118 CarbonylContact O-C 3.58Å; L115-Q118 WeakPolarHBondContact O-CB 3.31Å; L115-Q118 PolarHBondContact O-N 3.06Å; L115-Q118 VanDerWaalsContact O-N 3.09Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.02Å; Q118-L122 WeakPolarHBondContact O-CG 3.39Å; Q118-L122 PolarHBondContact O-N 2.98Å; Q118-L122 VanDerWaalsContact O-N 3.1Å; Q118-S445 WeakPolarHBondContact CG-O 3.35Å; Q118-A449 HydrophobicContact CG-CB 4.14Å
119A95.3Very high94.7Very high0 Ų044.7 Ų44.70%021%0.205CC..Hα-helixtrans-66.5-46.8174.500000112.2F33 L115 L116 R121 L122 M123 I133 W137 L522F33-A119 HydrophobicContact CE2-CB 4.46Å; L115-A119 PolarHBondContact O-N 3.11Å; L116-A119 WeakPolarHBondContact O-CB 3.27Å; L116-A119 PolarHBondContact O-N 3.38Å; L116-A119 VanDerWaalsContact O-N 3.12Å; A119-R121 VanDerWaalsContact C-N 3.28Å; A119-R121 PolarHBondContact O-N 3.39Å; A119-L122 PolarHBondContact O-N 2.79Å; A119-L122 VanDerWaalsContact O-N 3.12Å; A119-M123 VanDerWaalsContact O-CG 3.3Å; A119-M123 WeakPolarHBondContact O-CG 3.29Å; A119-M123 PolarHBondContact O-N 3.5Å; A119-I133 HydrophobicContact CB-CD1 4.37Å; A119-I133 HydrophobicContact CB-CG2 4.38Å; A119-W137 HydrophobicContact CB-CH2 3.54Å; A119-W137 HydrophobicContact CB-CZ2 3.82Å; A119-L522 HydrophobicContact CB-CD1 4Å; A119-L522 HydrophobicContact CB-CD2 4.27Å
120E93.6Very high94.5Very high36 Ų3645.4 Ų45.417%0.16821%0.21CC..Hα-helixtrans-48.6-53.8173.7-175.4-175.3-138.800110.3L30 F33 M37 L116 L122 M123 E124L30-E120 WeakPolarHBondContact CD1-OE1 3.5Å; F33-E120 HydrophobicContact CD2-CB 3.85Å; F33-E120 HydrophobicContact CD2-CG 4.36Å; F33-E120 HydrophobicContact CE2-CB 4.24Å; M37-E120 WeakPolarHBondContact CE-OE2 3.4Å; L116-E120 PolarHBondContact O-N 3.02Å; E120-L122 PolarHBondContact O-N 3.07Å; E120-M123 PolarHBondContact O-N 2.73Å; E120-M123 VanDerWaalsContact O-N 3.11Å; E120-E124 HydrophobicContact CG-CG 4.48Å; E120-E124 WeakPolarHBondContact O-CG 3.5Å; E120-E124 PolarHBondContact O-N 2.89Å
121R94.1Very high94.4Very high114 Ų11449.7 Ų49.743%0.4323%0.23SC..Hα-helixtrans-57.8-43.5178.7-170.5179.9171.1162.55.9113.4K117 A119 M123 E125K117-R121 PolarHBondContact O-N 3.07Å; A119-R121 VanDerWaalsContact C-N 3.28Å; A119-R121 PolarHBondContact O-N 3.39Å; R121-M123 VanDerWaalsContact C-N 3.34Å; R121-E125 HydrophobicContact CG-CG 3.99Å; R121-E125 WeakPolarHBondContact CG-OE1 3.49Å; R121-E125 WeakPolarHBondContact CG-OE2 3.37Å; R121-E125 IonicContact CZ-OE1 3.64Å; R121-E125 IonicContact CZ-OE2 3.53Å; R121-E125 VanDerWaalsContact NE-CD 3.28Å; R121-E125 IonicContact NE-OE1 2.94Å; R121-E125 PolarHBondContact NE-OE1 3.11Å; R121-E125 VanDerWaalsContact NE-OE1 3.08Å; R121-E125 IonicContact NE-OE2 3.14Å; R121-E125 PolarHBondContact NE-OE2 3.04Å; R121-E125 IonicContact NH2-OE1 3.65Å; R121-E125 IonicContact NH2-OE2 3.3Å; R121-E125 PolarHBondContact NH2-OE2 3.13Å; R121-E125 VanDerWaalsContact O-CB 3.26Å; R121-E125 WeakPolarHBondContact O-CB 3.35Å; R121-E125 WeakPolarHBondContact O-CG 3.41Å; R121-E125 PolarHBondContact O-N 3.38Å
122L94.3Very high94.2Very high7 Ų751.4 Ų51.44%0.03724%0.24CC..Hα-helixtrans-67.5-33.8178.1-74179.2000112.9Q118 A119 E120 Q126 H127 L128 I133 L441 A442 S445Q118-L122 WeakPolarHBondContact O-CG 3.39Å; Q118-L122 PolarHBondContact O-N 2.98Å; Q118-L122 VanDerWaalsContact O-N 3.1Å; A119-L122 PolarHBondContact O-N 2.79Å; A119-L122 VanDerWaalsContact O-N 3.12Å; E120-L122 PolarHBondContact O-N 3.07Å; L122-Q126 VanDerWaalsContact CD2-OE1 3.29Å; L122-Q126 CarbonylContact O-C 3.45Å; L122-Q126 WeakPolarHBondContact O-CB 3.32Å; L122-Q126 PolarHBondContact O-N 3.43Å; L122-H127 PolarHBondContact O-N 3.49Å; L122-L128 HydrophobicContact CB-CB 4.45Å; L122-L128 HydrophobicContact CB-CD2 4.49Å; L122-L128 HydrophobicContact CD1-CD2 4.36Å; L122-L128 HydrophobicContact CD2-CD2 4.49Å; L122-L128 PolarHBondContact O-N 3.41Å; L122-I133 HydrophobicContact CB-CD1 3.87Å; L122-I133 HydrophobicContact CB-CG1 4.42Å; L122-I133 HydrophobicContact CD1-CD1 4.32Å; L122-I133 HydrophobicContact CD1-CG1 4.16Å; L122-I133 HydrophobicContact CD1-CG2 4.35Å; L122-L441 HydrophobicContact CD2-CB 4.3Å; L122-A442 HydrophobicContact CD1-CB 4.38Å; L122-S445 WeakPolarHBondContact CD1-OG 3.41Å
123M91.9Very high94.2Very high36 Ų3651.4 Ų51.418%0.17724%0.24CC..Hα-helixtrans-73.6-44.4177.3-65.5-174.8-24.200111.1F33 A119 E120 R121 H127 P130 I133 L522F33-M123 HydrophobicContact CE2-CE 3.63Å; F33-M123 HydrophobicContact CE2-SD 4.39Å; F33-M123 HydrophobicContact CZ-CE 4.27Å; A119-M123 VanDerWaalsContact O-CG 3.3Å; A119-M123 WeakPolarHBondContact O-CG 3.29Å; A119-M123 PolarHBondContact O-N 3.5Å; E120-M123 PolarHBondContact O-N 2.73Å; E120-M123 VanDerWaalsContact O-N 3.11Å; R121-M123 VanDerWaalsContact C-N 3.34Å; M123-H127 WeakPolarHBondContact O-CA 3.44Å; M123-H127 PolarHBondContact O-N 2.79Å; M123-H127 VanDerWaalsContact O-N 3.1Å; M123-P130 HydrophobicContact SD-CG 3.89Å; M123-I133 HydrophobicContact CG-CD1 3.7Å; M123-L522 HydrophobicContact SD-CD1 3.97Å
124E90.8Very high94.2Very high114 Ų11451 Ų5153%0.53324%0.237SC..Hα-helixtrans-74.5-52.7-177.6-68.4-172.9164.600112.6E120 H127E120-E124 HydrophobicContact CG-CG 4.48Å; E120-E124 WeakPolarHBondContact O-CG 3.5Å; E120-E124 PolarHBondContact O-N 2.89Å; E124-H127 PolarHBondContact O-CE1 3.46Å
125E91.6Very high94.2Very high114 Ų11452 Ų5253%0.53325%0.246SC..Hα-helixtrans-78.8-30.6-173.2-62.3-178.8177.500112.7R121R121-E125 HydrophobicContact CG-CG 3.99Å; R121-E125 WeakPolarHBondContact CG-OE1 3.49Å; R121-E125 WeakPolarHBondContact CG-OE2 3.37Å; R121-E125 IonicContact CZ-OE1 3.64Å; R121-E125 IonicContact CZ-OE2 3.53Å; R121-E125 VanDerWaalsContact NE-CD 3.28Å; R121-E125 IonicContact NE-OE1 2.94Å; R121-E125 PolarHBondContact NE-OE1 3.11Å; R121-E125 VanDerWaalsContact NE-OE1 3.08Å; R121-E125 IonicContact NE-OE2 3.14Å; R121-E125 PolarHBondContact NE-OE2 3.04Å; R121-E125 IonicContact NH2-OE1 3.65Å; R121-E125 IonicContact NH2-OE2 3.3Å; R121-E125 PolarHBondContact NH2-OE2 3.13Å; R121-E125 VanDerWaalsContact O-CB 3.26Å; R121-E125 WeakPolarHBondContact O-CB 3.35Å; R121-E125 WeakPolarHBondContact O-CG 3.41Å; R121-E125 PolarHBondContact O-N 3.38Å
126Q88.9Confident94.2Very high74 Ų7452 Ų5235%0.34625%0.246SC..Hα-helixtrans-122.2-0.9-170.4-60.3-176.9-1.900113.9L122 L128L122-Q126 VanDerWaalsContact CD2-OE1 3.29Å; L122-Q126 CarbonylContact O-C 3.45Å; L122-Q126 WeakPolarHBondContact O-CB 3.32Å; L122-Q126 PolarHBondContact O-N 3.43Å; Q126-L128 HydrophobicContact CB-CD1 3.49Å; Q126-L128 VanDerWaalsContact CB-CD1 3.49Å; Q126-L128 WeakPolarHBondContact O-CD1 3.39Å; Q126-L128 PolarHBondContact O-N 3.03Å
127H90.9Very high94.3Very high151 Ų15152.4 Ų52.470%0.69925%0.248SC*.  trans51.441.1-179.9-54-51.6000112.8L122 M123 E124L122-H127 PolarHBondContact O-N 3.49Å; M123-H127 WeakPolarHBondContact O-CA 3.44Å; M123-H127 PolarHBondContact O-N 2.79Å; M123-H127 VanDerWaalsContact O-N 3.1Å; E124-H127 PolarHBondContact O-CE1 3.46Å
128L93.1Very high94.4Very high8 Ų853.2 Ų53.24%0.04225%0.248CC..  trans-76.5133.1173-93.970000110.1L122 Q126 I133 K438 L441L122-L128 HydrophobicContact CB-CB 4.45Å; L122-L128 HydrophobicContact CB-CD2 4.49Å; L122-L128 HydrophobicContact CD1-CD2 4.36Å; L122-L128 HydrophobicContact CD2-CD2 4.49Å; L122-L128 PolarHBondContact O-N 3.41Å; Q126-L128 HydrophobicContact CB-CD1 3.49Å; Q126-L128 VanDerWaalsContact CB-CD1 3.49Å; Q126-L128 WeakPolarHBondContact O-CD1 3.39Å; Q126-L128 PolarHBondContact O-N 3.03Å; L128-I133 HydrophobicContact CB-CD1 4.14Å; L128-I133 HydrophobicContact CB-CG1 3.98Å; L128-I133 HydrophobicContact CD2-CG1 4.16Å; L128-K438 HydrophobicContact CD1-CD 4.32Å; L128-K438 HydrophobicContact CD2-CB 4.3Å; L128-K438 HydrophobicContact CG-CB 4.38Å; L128-K438 HydrophobicContact CG-CD 4.27Å; L128-L441 HydrophobicContact CD1-CD1 4.39Å; L128-L441 HydrophobicContact CD2-CB 4.32Å
129H92.8Very high94.4Very high125 Ų12555.7 Ų55.758%0.57926%0.258SS*.  trans-69.4138.5172.5-171.8-84.4000110.3Q131 T132 I133H129-Q131 VanDerWaalsContact C-N 3.25Å; H129-Q131 WeakPolarHBondContact ND1-CB 3.18Å; H129-Q131 PolarHBondContact ND1-N 3.21Å; H129-Q131 VanDerWaalsContact ND1-N 3.15Å; H129-Q131 PolarHBondContact O-N 2.92Å; H129-Q131 VanDerWaalsContact O-N 3.11Å; H129-T132 WeakPolarHBondContact O-CA 3.16Å; H129-T132 VanDerWaalsContact O-CB 3.29Å; H129-T132 WeakPolarHBondContact O-CB 3.23Å; H129-T132 PolarHBondContact O-N 3.26Å; H129-I133 PolarHBondContact O-N 2.81Å
130P93.1Very high94.6Very high16 Ų1655.7 Ų55.710%0.10426%0.258CS..Hα-helixtrans-46.9-45179.7-31.634.9000113.9M123 T132 I133 I134 L522M123-P130 HydrophobicContact SD-CG 3.89Å; P130-T132 PolarHBondContact O-N 3.48Å; P130-I133 WeakPolarHBondContact O-CA 3.49Å; P130-I133 WeakPolarHBondContact O-CB 3.13Å; P130-I133 PolarHBondContact O-N 3.12Å; P130-I134 WeakPolarHBondContact O-CG1 3.2Å; P130-I134 PolarHBondContact O-N 3.29Å; P130-L522 HydrophobicContact CB-CD1 3.84Å; P130-L522 HydrophobicContact CB-CG 3.95Å; P130-L522 HydrophobicContact CG-CD1 4.35Å
131Q94.5Very high94.8Very high93 Ų9354.9 Ų54.944%0.43526%0.255SS..Hα-helixtrans-60.9-29.1178.2-161.262.712.700114.5H129 A135H129-Q131 VanDerWaalsContact C-N 3.25Å; H129-Q131 WeakPolarHBondContact ND1-CB 3.18Å; H129-Q131 PolarHBondContact ND1-N 3.21Å; H129-Q131 VanDerWaalsContact ND1-N 3.15Å; H129-Q131 PolarHBondContact O-N 2.92Å; H129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-A135 WeakPolarHBondContact O-CB 3.41Å; Q131-A135 PolarHBondContact O-N 3.19Å; Q131-A135 VanDerWaalsContact O-N 3.1Å
132T95.7Very high95Very high43 Ų4355 Ų5526%0.26426%0.26SS..Hα-helixtrans-72.2-38.9174.6-56.80000110.7H129 P130 A135 G136 K438 Q439H129-T132 WeakPolarHBondContact O-CA 3.16Å; H129-T132 VanDerWaalsContact O-CB 3.29Å; H129-T132 WeakPolarHBondContact O-CB 3.23Å; H129-T132 PolarHBondContact O-N 3.26Å; P130-T132 PolarHBondContact O-N 3.48Å; T132-A135 PolarHBondContact O-N 3.06Å; T132-G136 PolarHBondContact O-N 3.05Å; T132-G136 VanDerWaalsContact O-N 3.13Å; T132-K438 HydrophobicContact CG2-CB 3.67Å; T132-Q439 HydrophobicContact CG2-CG 4.44Å
133I97Very high95.2Very high0 Ų056.1 Ų56.10%027%0.267CS..Hα-helixtrans-64-50.4176.3-58.8172.3000109.5A119 L122 M123 L128 H129 P130 A135 G136 W137 A442 L522A119-I133 HydrophobicContact CB-CD1 4.37Å; A119-I133 HydrophobicContact CB-CG2 4.38Å; L122-I133 HydrophobicContact CB-CD1 3.87Å; L122-I133 HydrophobicContact CB-CG1 4.42Å; L122-I133 HydrophobicContact CD1-CD1 4.32Å; L122-I133 HydrophobicContact CD1-CG1 4.16Å; L122-I133 HydrophobicContact CD1-CG2 4.35Å; M123-I133 HydrophobicContact CG-CD1 3.7Å; L128-I133 HydrophobicContact CB-CD1 4.14Å; L128-I133 HydrophobicContact CB-CG1 3.98Å; L128-I133 HydrophobicContact CD2-CG1 4.16Å; H129-I133 PolarHBondContact O-N 2.81Å; P130-I133 WeakPolarHBondContact O-CA 3.49Å; P130-I133 WeakPolarHBondContact O-CB 3.13Å; P130-I133 PolarHBondContact O-N 3.12Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 3.45Å; I133-G136 PolarHBondContact O-N 3.4Å; I133-W137 HydrophobicContact CG2-CD2 3.8Å; I133-W137 HydrophobicContact CG2-CE3 4.25Å; I133-W137 HydrophobicContact CG2-CG 4.28Å; I133-W137 HydrophobicContact CG2-CH2 4.21Å; I133-W137 HydrophobicContact CG2-CZ2 3.74Å; I133-W137 HydrophobicContact CG2-CZ3 4.43Å; I133-W137 PolarHBondContact O-N 2.91Å; I133-A442 HydrophobicContact CB-CB 4.45Å; I133-A442 HydrophobicContact CG2-CB 4.35Å; I133-L522 HydrophobicContact CB-CD2 3.95Å; I133-L522 HydrophobicContact CG2-CD2 3.74Å
134I97Very high95.5Very high0 Ų054.4 Ų54.40%026%0.259CS..Hα-helixtrans-54.4-46.5176.5-65.8167.7000111.3P130 G136 W137 R138 E519 L522 R523P130-I134 WeakPolarHBondContact O-CG1 3.2Å; P130-I134 PolarHBondContact O-N 3.29Å; I134-G136 VanDerWaalsContact C-N 3.31Å; I134-G136 PolarHBondContact O-N 2.92Å; I134-W137 PolarHBondContact O-N 3.11Å; I134-R138 HydrophobicContact CG2-CG 4.44Å; I134-R138 WeakPolarHBondContact O-CG 3.44Å; I134-R138 PolarHBondContact O-N 2.64Å; I134-E519 HydrophobicContact CD1-CG 4.3Å; I134-E519 HydrophobicContact CG1-CG 4.15Å; I134-E519 HydrophobicContact CG2-CG 3.76Å; I134-L522 HydrophobicContact CD1-CD2 4.28Å; I134-L522 HydrophobicContact CD1-CG 4.22Å; I134-L522 HydrophobicContact CG1-CD2 3.61Å; I134-L522 HydrophobicContact CG1-CG 4.1Å; I134-R523 HydrophobicContact CD1-CG 3.49Å; I134-R523 VanDerWaalsContact CD1-CG 3.49Å
135A96.6Very high95.8Very high28 Ų2852.2 Ų52.223%0.23125%0.246CC..Hα-helixtrans-62.6-37.2179.100000112.8Q131 T132 I133Q131-A135 WeakPolarHBondContact O-CB 3.41Å; Q131-A135 PolarHBondContact O-N 3.19Å; Q131-A135 VanDerWaalsContact O-N 3.1Å; T132-A135 PolarHBondContact O-N 3.06Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-A135 PolarHBondContact O-N 3.45Å
136G97.5Very high96.1Very high0 Ų051 Ų510%024%0.242CC..Hα-helixtrans-70.9-42173.800000112.8T132 I133 I134 R138 K139 A140 M443T132-G136 PolarHBondContact O-N 3.05Å; T132-G136 VanDerWaalsContact O-N 3.13Å; I133-G136 PolarHBondContact O-N 3.4Å; I134-G136 VanDerWaalsContact C-N 3.31Å; I134-G136 PolarHBondContact O-N 2.92Å; G136-R138 PolarHBondContact O-N 3.06Å; G136-K139 WeakPolarHBondContact O-CB 3.38Å; G136-K139 PolarHBondContact O-N 3.46Å; G136-A140 PolarHBondContact O-N 3.32Å; G136-M443 VanDerWaalsContact O-CG 3.29Å; G136-M443 WeakPolarHBondContact O-CG 3.3Å
137W98.3Very high96.5Very high8 Ų849 Ų493%0.0323%0.233CC..Hα-helixtrans-64.6-37.1177.7-74.9-3.1000113.3L115 A119 I133 I134 K139 A140 L141 A442 S445 F446 A518 L522L115-W137 HydrophobicContact CB-CH2 3.82Å; L115-W137 HydrophobicContact CB-CZ2 4.14Å; L115-W137 HydrophobicContact CB-CZ3 4.28Å; L115-W137 HydrophobicContact CD2-CD2 4.47Å; L115-W137 HydrophobicContact CD2-CZ2 4.15Å; L115-W137 WeakPolarHBondContact O-CH2 3.38Å; L115-W137 WeakPolarHBondContact O-CZ2 3.37Å; A119-W137 HydrophobicContact CB-CH2 3.54Å; A119-W137 HydrophobicContact CB-CZ2 3.82Å; I133-W137 HydrophobicContact CG2-CD2 3.8Å; I133-W137 HydrophobicContact CG2-CE3 4.25Å; I133-W137 HydrophobicContact CG2-CG 4.28Å; I133-W137 HydrophobicContact CG2-CH2 4.21Å; I133-W137 HydrophobicContact CG2-CZ2 3.74Å; I133-W137 HydrophobicContact CG2-CZ3 4.43Å; I133-W137 PolarHBondContact O-N 2.91Å; I134-W137 PolarHBondContact O-N 3.11Å; W137-K139 VanDerWaalsContact C-N 3.34Å; W137-K139 PolarHBondContact O-N 3.44Å; W137-A140 PolarHBondContact O-N 2.74Å; W137-L141 WeakPolarHBondContact O-CB 3.21Å; W137-L141 PolarHBondContact O-N 2.95Å; W137-A442 PolarHBondContact NE1-O 3.26Å; W137-S445 PolarHBondContact NE1-OG 3.49Å; W137-F446 HydrophobicContact CB-CD2 3.95Å; W137-F446 HydrophobicContact CB-CE2 4.42Å; W137-F446 AromaticContact CD1-CD2 3.74Å; W137-F446 HydrophobicContact CD2-CD2 4.32Å; W137-F446 AromaticContact CG-CD2 3.76Å; W137-F446 HydrophobicContact CG-CD2 3.76Å; W137-A518 HydrophobicContact CH2-CB 4.34Å; W137-A518 HydrophobicContact CZ3-CB 3.75Å; W137-L522 HydrophobicContact CE3-CD2 4.18Å; W137-L522 HydrophobicContact CH2-CD2 4.19Å; W137-L522 HydrophobicContact CZ3-CD2 3.74Å
138R98Very high96.8Very high117 Ų11741.9 Ų41.944%0.44220%0.2SC..Hα-helixtrans-60.4-43.1173.4-74.2170.1171.3-155.9-12.5112.1I134 G136 L141 E142 E519I134-R138 HydrophobicContact CG2-CG 4.44Å; I134-R138 WeakPolarHBondContact O-CG 3.44Å; I134-R138 PolarHBondContact O-N 2.64Å; G136-R138 PolarHBondContact O-N 3.06Å; R138-L141 PolarHBondContact O-N 3.48Å; R138-E142 WeakPolarHBondContact O-CG 3.47Å; R138-E142 PolarHBondContact O-N 3.31Å; R138-E142 VanDerWaalsContact O-N 3.09Å; R138-E519 IonicContact CZ-OE1 2.75Å; R138-E519 VanDerWaalsContact CZ-OE1 3.26Å; R138-E519 IonicContact CZ-OE2 3.78Å; R138-E519 IonicContact NE-OE1 3.56Å; R138-E519 PolarHBondContact NE-OE1 3.19Å; R138-E519 IonicContact NE-OE2 2.71Å; R138-E519 PolarHBondContact NE-OE2 3.22Å; R138-E519 IonicContact NH2-OE1 2.76Å; R138-E519 PolarHBondContact NH2-OE1 2.83Å; R138-E519 IonicContact NH2-OE2 2.71Å
139K97.6Very high97Very high86 Ų8647.3 Ų47.337%0.37422%0.22SC..Hα-helixtrans-64.6-42.1173.5-69.7179.4173.9-175.30111.9G136 W137 L141 E142 V143 M443G136-K139 WeakPolarHBondContact O-CB 3.38Å; G136-K139 PolarHBondContact O-N 3.46Å; W137-K139 VanDerWaalsContact C-N 3.34Å; W137-K139 PolarHBondContact O-N 3.44Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-E142 PolarHBondContact O-N 3.35Å; K139-V143 WeakPolarHBondContact O-CG2 3.26Å; K139-V143 PolarHBondContact O-N 2.9Å; K139-M443 HydrophobicContact CB-CE 4.37Å; K139-M443 HydrophobicContact CB-SD 4.13Å
140A98.4Very high97.1Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-61.6-43.3175.800000111.5G136 W137 E142 V143 C144 V428 M443 F446G136-A140 PolarHBondContact O-N 3.32Å; W137-A140 PolarHBondContact O-N 2.74Å; A140-E142 PolarHBondContact O-N 3.5Å; A140-V143 WeakPolarHBondContact O-CB 3.47Å; A140-V143 PolarHBondContact O-N 3.49Å; A140-C144 PolarHBondContact O-N 2.89Å; A140-C144 PolarHBondContact O-SG 3.47Å; A140-V428 HydrophobicContact CB-CG1 3.82Å; A140-V428 HydrophobicContact CB-CG2 4.18Å; A140-M443 HydrophobicContact CB-CB 4.43Å; A140-M443 HydrophobicContact CB-CG 4.23Å; A140-F446 HydrophobicContact CB-CB 3.71Å; A140-F446 HydrophobicContact CB-CD1 4.06Å; A140-F446 HydrophobicContact CB-CD2 4.11Å; A140-F446 HydrophobicContact CB-CG 3.69Å
141L98.3Very high97.1Very high18 Ų1846.3 Ų46.39%0.09423%0.227CC..Hα-helixtrans-61.6-41178.1-179.961.4000112.1W137 R138 K139 C144 R145 L511 A515W137-L141 WeakPolarHBondContact O-CB 3.21Å; W137-L141 PolarHBondContact O-N 2.95Å; R138-L141 PolarHBondContact O-N 3.48Å; K139-L141 VanDerWaalsContact C-N 3.34Å; L141-C144 PolarHBondContact O-N 3.23Å; L141-R145 HydrophobicContact CD1-CG 4.39Å; L141-R145 WeakPolarHBondContact O-CB 3.48Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.29Å; L141-R145 PolarHBondContact O-N 3.01Å; L141-L511 HydrophobicContact CD1-CD1 4.1Å; L141-L511 HydrophobicContact CD1-CD2 3.97Å; L141-L511 HydrophobicContact CD1-CG 3.65Å; L141-A515 HydrophobicContact CD1-CB 4.01Å; L141-A515 HydrophobicContact CD2-CB 3.85Å; L141-A515 HydrophobicContact CG-CB 4.43Å
142E98.2Very high97.1Very high118 Ų11843 Ų4355%0.55122%0.215SC*.Hα-helixtrans-58.4-48.4172.8-73.6172.5-17300111.3R138 K139 A140 C144 R145 D146R138-E142 WeakPolarHBondContact O-CG 3.47Å; R138-E142 PolarHBondContact O-N 3.31Å; R138-E142 VanDerWaalsContact O-N 3.09Å; K139-E142 PolarHBondContact O-N 3.35Å; A140-E142 PolarHBondContact O-N 3.5Å; E142-C144 PolarHBondContact O-N 3.43Å; E142-R145 PolarHBondContact O-N 2.77Å; E142-D146 PolarHBondContact O-N 3.08Å
143V98.3Very high97Very high29 Ų2945.1 Ų45.118%0.17622%0.219CC..Hα-helixtrans-61-42.8176.7175.80000111.6K139 A140 D146 E147 A427 V428 V431K139-V143 WeakPolarHBondContact O-CG2 3.26Å; K139-V143 PolarHBondContact O-N 2.9Å; A140-V143 WeakPolarHBondContact O-CB 3.47Å; A140-V143 PolarHBondContact O-N 3.49Å; V143-D146 PolarHBondContact O-N 3.15Å; V143-E147 WeakPolarHBondContact O-CB 3.27Å; V143-E147 PolarHBondContact O-N 3.46Å; V143-A427 HydrophobicContact CG1-CB 3.91Å; V143-V428 HydrophobicContact CB-CG2 4.2Å; V143-V428 HydrophobicContact CG1-CG2 4.04Å; V143-V431 HydrophobicContact CG1-CG2 4.06Å; V143-V431 HydrophobicContact CG2-CB 4.26Å; V143-V431 HydrophobicContact CG2-CG1 4.24Å; V143-V431 HydrophobicContact CG2-CG2 3.96Å
144C98.4Very high96.6Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-61.1-45.7176.6-68.30000111.9A140 L141 E142 D146 E147 L148 M424 V428 L511A140-C144 PolarHBondContact O-N 2.89Å; A140-C144 PolarHBondContact O-SG 3.47Å; L141-C144 PolarHBondContact O-N 3.23Å; E142-C144 PolarHBondContact O-N 3.43Å; C144-D146 VanDerWaalsContact C-N 3.3Å; C144-D146 PolarHBondContact O-N 2.95Å; C144-E147 PolarHBondContact O-N 3.18Å; C144-L148 WeakPolarHBondContact O-CB 3.32Å; C144-L148 PolarHBondContact O-N 3.43Å; C144-M424 HydrophobicContact CB-CB 4.3Å; C144-M424 HydrophobicContact CB-CG 4.18Å; C144-M424 HydrophobicContact CB-SD 3.79Å; C144-V428 WeakPolarHBondContact SG-CG2 3.34Å; C144-L511 HydrophobicContact CB-CD1 4.09Å; C144-L511 HydrophobicContact CB-CD2 3.6Å; C144-L511 HydrophobicContact CB-CG 4.44Å
145R98.3Very high95.9Very high69 Ų6950.4 Ų50.426%0.2625%0.251SS..Hα-helixtrans-61.8-39.9178.3-72.2170.1172.8176.2-0.4111.6L141 E142 R149 L508 L511 N512L141-R145 HydrophobicContact CD1-CG 4.39Å; L141-R145 WeakPolarHBondContact O-CB 3.48Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.29Å; L141-R145 PolarHBondContact O-N 3.01Å; E142-R145 PolarHBondContact O-N 2.77Å; R145-R149 WeakPolarHBondContact O-CB 3.2Å; R145-R149 WeakPolarHBondContact O-CG 3.15Å; R145-R149 PolarHBondContact O-N 3.12Å; R145-R149 PolarHBondContact O-NE 2.83Å; R145-L508 HydrophobicContact CG-CD1 4Å; R145-L511 HydrophobicContact CG-CD2 4.26Å; R145-N512 PolarHBondContact NE-OD1 3.12Å; R145-N512 PolarHBondContact NH2-OD1 3.07Å
146D98Very high95.1Very high87 Ų8750.5 Ų50.547%0.46525%0.25SS..Hα-helixtrans-71.2-44.2179-70.6-13.4000111.6E142 V143 C144 R149 S150E142-D146 PolarHBondContact O-N 3.08Å; V143-D146 PolarHBondContact O-N 3.15Å; C144-D146 VanDerWaalsContact C-N 3.3Å; C144-D146 PolarHBondContact O-N 2.95Å; D146-R149 PolarHBondContact O-N 2.92Å; D146-R149 IonicContact OD1-CZ 3.88Å; D146-R149 IonicContact OD1-NH1 3.5Å; D146-R149 PolarHBondContact OD1-NH1 2.86Å; D146-R149 IonicContact OD1-NH2 2.81Å; D146-R149 PolarHBondContact OD1-NH2 3.04Å; D146-S150 PolarHBondContact O-N 3.38Å
147E97.3Very high94.3Very high33 Ų3356.9 Ų56.915%0.15430%0.295CS..Hα-helixtrans-64.2-44.7176.3-174.865.3-162.300110.9V143 C144 R149 S150 C151 A423 A427 K481V143-E147 WeakPolarHBondContact O-CB 3.27Å; V143-E147 PolarHBondContact O-N 3.46Å; C144-E147 PolarHBondContact O-N 3.18Å; E147-R149 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.23Å; E147-S150 CarbonylContact O-C 3.59Å; E147-S150 WeakPolarHBondContact O-CA 3.4Å; E147-S150 WeakPolarHBondContact O-CB 3.49Å; E147-S150 PolarHBondContact O-N 3.36Å; E147-S150 PolarHBondContact O-OG 3.19Å; E147-C151 PolarHBondContact O-N 3.31Å; E147-C151 PolarHBondContact O-SG 3.1Å; E147-C151 VanDerWaalsContact O-SG 3.42Å; E147-A423 HydrophobicContact CG-CB 4.41Å; E147-A427 HydrophobicContact CB-CB 3.85Å; E147-A427 HydrophobicContact CG-CB 3.75Å; E147-K481 IonicContact OE1-NZ 3.51Å; E147-K481 PolarHBondContact OE1-NZ 3.38Å; E147-K481 IonicContact OE2-NZ 3.39Å
148L97Very high93.8Very high1 Ų159.9 Ų59.91%0.00531%0.312CS..Hα-helixtrans-60.3-40.3177.1-17267.1000111.5C144 S150 C151 A152 V414 M424 Y504 K507 L508C144-L148 WeakPolarHBondContact O-CB 3.32Å; C144-L148 PolarHBondContact O-N 3.43Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.81Å; L148-C151 PolarHBondContact O-N 3.38Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.26Å; L148-V414 HydrophobicContact CD1-CB 4.44Å; L148-V414 HydrophobicContact CD1-CG1 3.91Å; L148-V414 HydrophobicContact CG-CG1 4.46Å; L148-M424 HydrophobicContact CB-CG 4.44Å; L148-M424 HydrophobicContact CB-SD 4.03Å; L148-M424 HydrophobicContact CD1-SD 4.33Å; L148-Y504 HydrophobicContact CD2-CD2 4.31Å; L148-Y504 HydrophobicContact CD2-CE2 4.11Å; L148-Y504 HydrophobicContact CG-CD2 4.02Å; L148-Y504 HydrophobicContact CG-CE2 3.91Å; L148-K507 HydrophobicContact CD1-CB 4.49Å; L148-K507 HydrophobicContact CD1-CG 4Å; L148-K507 HydrophobicContact CD2-CB 4.25Å; L148-K507 HydrophobicContact CD2-CG 4.27Å; L148-L508 HydrophobicContact CD2-CB 4.03Å; L148-L508 HydrophobicContact CD2-CD1 4.26Å
149R96.6Very high93.3Very high123 Ų12358 Ų5846%0.46432%0.321SS..Hα-helixtrans-62.3-37.7171.9-83.2-174.3-109.2122.34.5112.3R145 D146 E147 A152 Y504R145-R149 WeakPolarHBondContact O-CB 3.2Å; R145-R149 WeakPolarHBondContact O-CG 3.15Å; R145-R149 PolarHBondContact O-N 3.12Å; R145-R149 PolarHBondContact O-NE 2.83Å; D146-R149 PolarHBondContact O-N 2.92Å; D146-R149 IonicContact OD1-CZ 3.88Å; D146-R149 IonicContact OD1-NH1 3.5Å; D146-R149 PolarHBondContact OD1-NH1 2.86Å; D146-R149 IonicContact OD1-NH2 2.81Å; D146-R149 PolarHBondContact OD1-NH2 3.04Å; E147-R149 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.23Å; R149-A152 PolarHBondContact O-N 3.33Å; R149-Y504 HydrophobicContact CG-CE2 3.93Å; R149-Y504 WeakPolarHBondContact CG-OH 3.36Å
150S95.5Very high93Very high76 Ų7661.5 Ų61.553%0.53134%0.339SS..Hα-helixtrans-71.5-32.9178.684.90000113.2D146 E147 L148 A152D146-S150 PolarHBondContact O-N 3.38Å; E147-S150 CarbonylContact O-C 3.59Å; E147-S150 WeakPolarHBondContact O-CA 3.4Å; E147-S150 WeakPolarHBondContact O-CB 3.49Å; E147-S150 PolarHBondContact O-N 3.36Å; E147-S150 PolarHBondContact O-OG 3.19Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 2.81Å; S150-A152 VanDerWaalsContact C-N 3.33Å
151C92.8Very high92.6Very high43 Ų4366.3 Ų66.329%0.29136%0.361SS..Hα-helixtrans-77.7-19.7175.3-680000112.7E147 L148 R153E147-C151 PolarHBondContact O-N 3.31Å; E147-C151 PolarHBondContact O-SG 3.1Å; E147-C151 VanDerWaalsContact O-SG 3.42Å; L148-C151 PolarHBondContact O-N 3.38Å; C151-R153 PolarHBondContact O-N 3.17Å
152A94.1Very high92.2Very high23 Ų2366.7 Ų66.719%0.1936%0.362CS..PPolyproline II helixtrans-71.1127.2-178.300000111.8L148 R149 S150 K412 V413 V414 Y504L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.26Å; R149-A152 PolarHBondContact O-N 3.33Å; S150-A152 VanDerWaalsContact C-N 3.33Å; A152-K412 HydrophobicContact CB-CB 4.41Å; A152-V413 CarbonylContact C-O 3.56Å; A152-V413 WeakPolarHBondContact CA-O 3.4Å; A152-V414 HydrophobicContact CB-CG1 3.92Å; A152-Y504 HydrophobicContact CB-CD2 3.7Å; A152-Y504 HydrophobicContact CB-CE2 4.27Å; A152-Y504 HydrophobicContact CB-CG 4.21Å
153R92.7Very high92Very high88 Ų8864.9 Ų64.933%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-97.7133171.1-179.517964.385-4.1109.4C151 S155 D165 K412 V413C151-R153 PolarHBondContact O-N 3.17Å; R153-S155 PolarHBondContact O-N 3.33Å; R153-D165 IonicContact CZ-OD1 2.7Å; R153-D165 IonicContact CZ-OD2 3.6Å; R153-D165 IonicContact NH1-OD2 3.69Å; R153-D165 PolarHBondContact NH1-OD2 3.47Å; R153-D165 VanDerWaalsContact NH1-OD2 3.12Å; R153-D165 VanDerWaalsContact NH2-CG 3.28Å; R153-D165 IonicContact NH2-OD1 3.34Å; R153-D165 PolarHBondContact NH2-OD1 3.12Å; R153-D165 IonicContact NH2-OD2 2.7Å; R153-D165 PolarHBondContact NH2-OD2 3.45Å; R153-D165 VanDerWaalsContact NH2-OD2 3.07Å; R153-K412 CarbonylContact O-C 3.56Å; R153-K412 WeakPolarHBondContact O-CA 3.39Å; R153-V413 PolarHBondContact N-O 3.19Å; R153-V413 PolarHBondContact O-N 3.14Å
154V90Very high91.8Very high102 Ų10267.3 Ų67.362%0.61836%0.362SS*.EExtended strand (participates in β ladder)trans-70.2129168.5-175.20000108.5K412V154-K412 HydrophobicContact CG2-CG 4.44Å
155S81.7Confident91.6Very high10 Ų1067.7 Ų67.77%0.0736%0.364CS..PPolyproline II helixtrans-60.5147.9177-46.10000109.5R153 H407 A411R153-S155 PolarHBondContact O-N 3.33Å; S155-H407 PolarHBondContact OG-CE1 2.89Å; S155-H407 PolarHBondContact OG-NE2 2.77Å; S155-A411 WeakPolarHBondContact CB-O 3.23Å; S155-A411 PolarHBondContact N-O 2.93Å; S155-A411 PolarHBondContact OG-O 3.29Å
156S79.6Confident91.4Very high30 Ų3064.4 Ų64.421%0.2135%0.352CS..PPolyproline II helixtrans-62.8149-176.4-171.80000111.9N158 E161S156-N158 WeakPolarHBondContact OG-CB 3.47Å; S156-N158 PolarHBondContact OG-N 3.1Å; S156-E161 WeakPolarHBondContact CB-OE2 3.27Å; S156-E161 PolarHBondContact OG-OE2 3.37Å
157S80.9Confident91.3Very high133 Ų13361.3 Ų61.393%0.9333%0.334SS*.SBendtrans-76.2-14.3169.755.30000112.5A159S157-A159 PolarHBondContact O-N 3.04Å
158N88.5Confident91.2Very high72 Ų7261.7 Ų61.739%0.38534%0.336SS..SBendtrans-68.4125.8171.8-177.7-19.6000109.6S156 E160 E161 F162S156-N158 WeakPolarHBondContact OG-CB 3.47Å; S156-N158 PolarHBondContact OG-N 3.1Å; N158-E160 VanDerWaalsContact C-N 3.31Å; N158-E160 PolarHBondContact O-N 3.34Å; N158-E160 PolarHBondContact OD1-N 2.7Å; N158-E161 HydrophobicContact CB-CB 4.22Å; N158-E161 HydrophobicContact CB-CG 4.3Å; N158-E161 PolarHBondContact O-N 2.89Å; N158-F162 VanDerWaalsContact O-CB 3.29Å; N158-F162 WeakPolarHBondContact O-CB 3.46Å; N158-F162 PolarHBondContact O-N 3.3Å
159A87.8Confident91.1Very high78 Ų7861.7 Ų61.765%0.64534%0.336SS*.Hα-helixtrans-59-37.1-177.400000113.6S157 R163S157-A159 PolarHBondContact O-N 3.04Å; A159-R163 WeakPolarHBondContact O-CB 3.39Å; A159-R163 PolarHBondContact O-N 3.43Å
160E90.2Very high91.1Very high159 Ų15955.9 Ų55.974%0.74331%0.314SS*.Hα-helixtrans-71-45.2-180-69.4-174.4165.200111.7N158 R163 N164N158-E160 VanDerWaalsContact C-N 3.31Å; N158-E160 PolarHBondContact O-N 3.34Å; N158-E160 PolarHBondContact OD1-N 2.7Å; E160-R163 PolarHBondContact O-N 3.09Å; E160-N164 PolarHBondContact O-N 3.38Å
161E89.8Confident91.1Very high101 Ų10154.4 Ų54.447%0.47230%0.299SS..Hα-helixtrans-66.6-39.4176.7-69.6179.1179.800111.4S156 N158 N164 D165S156-E161 WeakPolarHBondContact CB-OE2 3.27Å; S156-E161 PolarHBondContact OG-OE2 3.37Å; N158-E161 HydrophobicContact CB-CB 4.22Å; N158-E161 HydrophobicContact CB-CG 4.3Å; N158-E161 PolarHBondContact O-N 2.89Å; E161-N164 WeakPolarHBondContact O-CB 3.31Å; E161-N164 PolarHBondContact O-N 3.41Å; E161-D165 PolarHBondContact O-N 3.26Å
162F90.7Very high91.2Very high26 Ų2653.8 Ų53.811%0.11429%0.294CS..Hα-helixtrans-61.4-44.1173.8-175.7-107.3000111.5N158 N164 D165 L166 L195 M408 A411N158-F162 VanDerWaalsContact O-CB 3.29Å; N158-F162 WeakPolarHBondContact O-CB 3.46Å; N158-F162 PolarHBondContact O-N 3.3Å; F162-N164 VanDerWaalsContact C-N 3.3Å; F162-N164 PolarHBondContact O-N 2.77Å; F162-D165 PolarHBondContact O-N 3.25Å; F162-L166 HydrophobicContact CD1-CD1 3.96Å; F162-L166 HydrophobicContact CD1-CG 4.37Å; F162-L166 HydrophobicContact CE1-CD1 3.57Å; F162-L166 HydrophobicContact CE1-CD2 4.39Å; F162-L166 HydrophobicContact CE1-CG 4.05Å; F162-L166 HydrophobicContact CZ-CD1 4.17Å; F162-L166 HydrophobicContact CZ-CD2 4.15Å; F162-L166 HydrophobicContact CZ-CG 4.23Å; F162-L166 WeakPolarHBondContact O-CG 3.21Å; F162-L166 PolarHBondContact O-N 2.92Å; F162-L195 HydrophobicContact CE1-CD2 4.42Å; F162-M408 HydrophobicContact CE1-CG 4.28Å; F162-M408 HydrophobicContact CZ-CG 3.99Å; F162-A411 HydrophobicContact CE2-CB 3.91Å
163R93.8Very high91.1Very high80 Ų8053.1 Ų53.130%0.30229%0.287SS..Hα-helixtrans-62-39.1175-172.4-177.5-175.8-65.4-5.8111.5A159 E160 L166 Q167 V191 D192 L195A159-R163 WeakPolarHBondContact O-CB 3.39Å; A159-R163 PolarHBondContact O-N 3.43Å; E160-R163 PolarHBondContact O-N 3.09Å; R163-L166 PolarHBondContact O-N 3.48Å; R163-Q167 WeakPolarHBondContact O-CB 3.37Å; R163-Q167 PolarHBondContact O-N 3.44Å; R163-V191 HydrophobicContact CG-CG1 3.88Å; R163-D192 IonicContact CZ-OD1 3.74Å; R163-D192 IonicContact NE-OD1 3.91Å; R163-D192 IonicContact NH2-OD1 3.7Å; R163-D192 PolarHBondContact NH2-OD1 3.23Å; R163-D192 IonicContact NH2-OD2 3.47Å; R163-L195 HydrophobicContact CG-CD1 4.04Å
164N94.1Very high91.1Very high80 Ų8049 Ų4943%0.42827%0.272SS..Hα-helixtrans-66-40.7175.7-170.230.1000112.1E160 E161 F162 Q167 K168E160-N164 PolarHBondContact O-N 3.38Å; E161-N164 WeakPolarHBondContact O-CB 3.31Å; E161-N164 PolarHBondContact O-N 3.41Å; F162-N164 VanDerWaalsContact C-N 3.3Å; F162-N164 PolarHBondContact O-N 2.77Å; N164-Q167 PolarHBondContact O-N 2.97Å; N164-K168 WeakPolarHBondContact O-CG 3.48Å; N164-K168 PolarHBondContact O-N 3.37Å
165D94Very high91Very high7 Ų744.5 Ų44.54%0.03725%0.246CC..Hα-helixtrans-60.5-44.9173.9-76.2-17.2000110.5R153 E161 F162 K168 I169 V413 Y501R153-D165 IonicContact CZ-OD1 2.7Å; R153-D165 IonicContact CZ-OD2 3.6Å; R153-D165 IonicContact NH1-OD2 3.69Å; R153-D165 PolarHBondContact NH1-OD2 3.47Å; R153-D165 VanDerWaalsContact NH1-OD2 3.12Å; R153-D165 VanDerWaalsContact NH2-CG 3.28Å; R153-D165 IonicContact NH2-OD1 3.34Å; R153-D165 PolarHBondContact NH2-OD1 3.12Å; R153-D165 IonicContact NH2-OD2 2.7Å; R153-D165 PolarHBondContact NH2-OD2 3.45Å; R153-D165 VanDerWaalsContact NH2-OD2 3.07Å; E161-D165 PolarHBondContact O-N 3.26Å; F162-D165 PolarHBondContact O-N 3.25Å; D165-K168 PolarHBondContact O-N 3.49Å; D165-I169 WeakPolarHBondContact O-CD1 3.46Å; D165-I169 VanDerWaalsContact O-CG1 3.27Å; D165-I169 WeakPolarHBondContact O-CG1 3.17Å; D165-I169 PolarHBondContact O-N 3.47Å; D165-I169 VanDerWaalsContact O-N 3.08Å; D165-V413 HydrophobicContact CB-CG2 4.42Å; D165-Y501 VanDerWaalsContact OD1-CE2 3.31Å; D165-Y501 WeakPolarHBondContact OD1-CE2 3.49Å
166L94.7Very high91.1Very high0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-60.6-44.6174.9-69.7177.9000112.6F162 R163 K168 I169 A170 V191 L195 L404 M408F162-L166 HydrophobicContact CD1-CD1 3.96Å; F162-L166 HydrophobicContact CD1-CG 4.37Å; F162-L166 HydrophobicContact CE1-CD1 3.57Å; F162-L166 HydrophobicContact CE1-CD2 4.39Å; F162-L166 HydrophobicContact CE1-CG 4.05Å; F162-L166 HydrophobicContact CZ-CD1 4.17Å; F162-L166 HydrophobicContact CZ-CD2 4.15Å; F162-L166 HydrophobicContact CZ-CG 4.23Å; F162-L166 WeakPolarHBondContact O-CG 3.21Å; F162-L166 PolarHBondContact O-N 2.92Å; R163-L166 PolarHBondContact O-N 3.48Å; L166-K168 PolarHBondContact O-N 3.3Å; L166-I169 PolarHBondContact O-N 3.37Å; L166-A170 PolarHBondContact O-N 3.48Å; L166-V191 HydrophobicContact CB-CG1 4.16Å; L166-V191 HydrophobicContact CB-CG2 3.89Å; L166-V191 HydrophobicContact CD1-CG1 4.36Å; L166-L195 HydrophobicContact CD1-CD2 3.78Å; L166-L195 HydrophobicContact CD1-CG 4.12Å; L166-L404 HydrophobicContact CB-CD2 3.86Å; L166-L404 HydrophobicContact CD2-CD2 3.67Å; L166-L404 HydrophobicContact CG-CD2 4.32Å; L166-L404 WeakPolarHBondContact O-CD2 3.43Å; L166-M408 HydrophobicContact CD1-CG 4.46Å; L166-M408 HydrophobicContact CD1-SD 4.47Å; L166-M408 HydrophobicContact CD2-CG 4.04Å
167Q95.9Very high91.4Very high22 Ų2244.7 Ų44.710%0.10325%0.246CC..Hα-helixtrans-58.2-47.6178.1-178.173.330.900111.2R163 N164 I169 A170 E171 E184 A187 K188 V191R163-Q167 WeakPolarHBondContact O-CB 3.37Å; R163-Q167 PolarHBondContact O-N 3.44Å; N164-Q167 PolarHBondContact O-N 2.97Å; Q167-I169 PolarHBondContact O-N 2.95Å; Q167-A170 PolarHBondContact O-N 2.89Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.47Å; Q167-E171 PolarHBondContact NE2-OE1 3.37Å; Q167-E171 WeakPolarHBondContact O-CG 3.34Å; Q167-E171 PolarHBondContact O-N 3.19Å; Q167-E184 PolarHBondContact NE2-O 2.97Å; Q167-E184 VanDerWaalsContact NE2-O 3.16Å; Q167-A187 VanDerWaalsContact NE2-CB 3.31Å; Q167-K188 VanDerWaalsContact OE1-CA 3.28Å; Q167-V191 HydrophobicContact CB-CG2 4.48Å
168K95.6Very high91.5Very high42 Ų4240.7 Ų40.718%0.18321%0.213CC..Hα-helixtrans-63.9-37.8179.1-73.7175.7176.4-174.20113.3N164 D165 L166 T172 G499 Y501N164-K168 WeakPolarHBondContact O-CG 3.48Å; N164-K168 PolarHBondContact O-N 3.37Å; D165-K168 PolarHBondContact O-N 3.49Å; L166-K168 PolarHBondContact O-N 3.3Å; K168-T172 PolarHBondContact O-N 3.29Å; K168-T172 PolarHBondContact O-OG1 3.49Å; K168-G499 WeakPolarHBondContact CB-O 3.32Å; K168-Y501 HydrophobicContact CB-CD2 3.77Å; K168-Y501 HydrophobicContact CB-CG 4.1Å; K168-Y501 HydrophobicContact CD-CD2 3.53Å; K168-Y501 HydrophobicContact CD-CE2 3.47Å; K168-Y501 VanDerWaalsContact CD-CE2 3.47Å; K168-Y501 HydrophobicContact CD-CG 4.24Å; K168-Y501 HydrophobicContact CG-CD2 4.31Å
169I95.3Very high91.3Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-64.2-49174.7-68164.7000110.1D165 L166 Q167 E171 T172 T173 V403 H407 V413 Y501D165-I169 WeakPolarHBondContact O-CD1 3.46Å; D165-I169 VanDerWaalsContact O-CG1 3.27Å; D165-I169 WeakPolarHBondContact O-CG1 3.17Å; D165-I169 PolarHBondContact O-N 3.47Å; D165-I169 VanDerWaalsContact O-N 3.08Å; L166-I169 PolarHBondContact O-N 3.37Å; Q167-I169 PolarHBondContact O-N 2.95Å; I169-E171 VanDerWaalsContact C-N 3.34Å; I169-E171 PolarHBondContact O-N 3.1Å; I169-T172 PolarHBondContact O-N 3.02Å; I169-T172 VanDerWaalsContact O-N 3.15Å; I169-T173 PolarHBondContact O-N 3.13Å; I169-T173 PolarHBondContact O-OG1 2.9Å; I169-V403 HydrophobicContact CG2-CG1 3.51Å; I169-H407 HydrophobicContact CD1-CB 4.43Å; I169-H407 WeakPolarHBondContact CD1-CE1 3.35Å; I169-H407 WeakPolarHBondContact CD1-ND1 3.29Å; I169-V413 HydrophobicContact CD1-CG2 4.26Å; I169-Y501 WeakPolarHBondContact CA-O 3.08Å
170A95.4Very high91.2Very high1 Ų135.2 Ų35.21%0.00818%0.178CC..Hα-helixtrans-61.5-41.4178.500000112.2L166 Q167 T172 T173 L174 A187 V191 L404L166-A170 PolarHBondContact O-N 3.48Å; Q167-A170 PolarHBondContact O-N 2.89Å; A170-T172 VanDerWaalsContact C-N 3.28Å; A170-T172 PolarHBondContact O-N 2.93Å; A170-T173 PolarHBondContact O-N 3.34Å; A170-L174 VanDerWaalsContact O-CB 3.31Å; A170-L174 WeakPolarHBondContact O-CB 3.38Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 3.48Å; A170-A187 HydrophobicContact CB-CB 3.63Å; A170-V191 HydrophobicContact CB-CG2 4.33Å; A170-L404 HydrophobicContact CB-CD1 4.19Å; A170-L404 HydrophobicContact CB-CD2 4.26Å; A170-L404 HydrophobicContact CB-CG 4.49Å
171E95.6Very high91.1Very high46 Ų4632.7 Ų32.722%0.21518%0.178CC..Hα-helixtrans-62.4-35.3175.5-75.7173.7-166.300112.7Q167 I169 G175 A187Q167-E171 WeakPolarHBondContact CG-OE1 3.47Å; Q167-E171 PolarHBondContact NE2-OE1 3.37Å; Q167-E171 WeakPolarHBondContact O-CG 3.34Å; Q167-E171 PolarHBondContact O-N 3.19Å; I169-E171 VanDerWaalsContact C-N 3.34Å; I169-E171 PolarHBondContact O-N 3.1Å; E171-G175 WeakPolarHBondContact O-CA 3.22Å; E171-G175 PolarHBondContact O-N 3.37Å; E171-A187 HydrophobicContact CB-CB 4.45Å; E171-A187 HydrophobicContact CG-CB 3.53Å
172T94.1Very high91.1Very high30 Ų3032 Ų3218%0.18417%0.171CC..Hα-helixtrans-70-47.8176.6-57.30000110.8K168 I169 A170 L174 G175 I500 Y501 E502K168-T172 PolarHBondContact O-N 3.29Å; K168-T172 PolarHBondContact O-OG1 3.49Å; I169-T172 PolarHBondContact O-N 3.02Å; I169-T172 VanDerWaalsContact O-N 3.15Å; A170-T172 VanDerWaalsContact C-N 3.28Å; A170-T172 PolarHBondContact O-N 2.93Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact O-N 3.02Å; T172-G175 PolarHBondContact O-N 2.89Å; T172-I500 HydrophobicContact CG2-CG2 4.21Å; T172-Y501 VanDerWaalsContact CB-O 3.25Å; T172-Y501 WeakPolarHBondContact CB-O 3.47Å; T172-Y501 PolarHBondContact OG1-N 3.45Å; T172-Y501 PolarHBondContact OG1-O 3.02Å; T172-Y501 VanDerWaalsContact OG1-O 3.08Å; T172-E502 HydrophobicContact CG2-CG 3.88Å
173T92.6Very high91.1Very high9 Ų934.2 Ų34.26%0.05518%0.181CC..Hα-helixtrans-62.9-36.1177-67.10000112.9D103 I169 A170 K177 D399 A400 V403D103-T173 WeakPolarHBondContact OD2-CG2 3.38Å; D103-T173 PolarHBondContact OD2-OG1 3Å; D103-T173 VanDerWaalsContact OD2-OG1 3.08Å; I169-T173 PolarHBondContact O-N 3.13Å; I169-T173 PolarHBondContact O-OG1 2.9Å; A170-T173 PolarHBondContact O-N 3.34Å; T173-K177 WeakPolarHBondContact O-CE 3.49Å; T173-D399 HydrophobicContact CG2-CB 4.5Å; T173-A400 HydrophobicContact CG2-CB 4.32Å; T173-V403 HydrophobicContact CG2-CG2 4.36Å
174L92.6Very high91.1Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-81.4-20.4177.8-66.8173.2000113.2A170 T172 S176 K177 L179 A180 K183 F186 A187 S396 A400A170-L174 VanDerWaalsContact O-CB 3.31Å; A170-L174 WeakPolarHBondContact O-CB 3.38Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; A170-L174 PolarHBondContact O-N 3.48Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact O-N 3.02Å; L174-S176 PolarHBondContact O-N 3.47Å; L174-K177 PolarHBondContact O-N 3.19Å; L174-L179 HydrophobicContact CD2-CB 4.31Å; L174-L179 HydrophobicContact CD2-CD1 3.9Å; L174-A180 PolarHBondContact O-N 3.18Å; L174-K183 HydrophobicContact CB-CB 4.16Å; L174-F186 HydrophobicContact CD1-CB 3.75Å; L174-A187 HydrophobicContact CD1-CB 4.1Å; L174-S396 VanDerWaalsContact CD2-O 3.3Å; L174-S396 WeakPolarHBondContact CD2-O 3.31Å; L174-A400 HydrophobicContact CD2-CB 4.04Å; L174-A400 HydrophobicContact CG-CB 4.12Å
175G88.1Confident91.1Very high8 Ų836.2 Ų36.28%0.08219%0.191CC..THydrogen-bonded Turntrans-67.5-16.2-172.300000115.4P49 E171 T172 A180P49-G175 WeakPolarHBondContact CA-O 3.48Å; E171-G175 WeakPolarHBondContact O-CA 3.22Å; E171-G175 PolarHBondContact O-N 3.37Å; T172-G175 PolarHBondContact O-N 2.89Å; G175-A180 VanDerWaalsContact O-CB 3.32Å; G175-A180 WeakPolarHBondContact O-CB 3.35Å
176S83Confident91.2Very high28 Ų2835.9 Ų35.920%0.19619%0.189CC..THydrogen-bonded Turntrans-100.93.7176.655.60000114.6G48 N71 L174G48-S176 VanDerWaalsContact C-CB 3.44Å; G48-S176 WeakPolarHBondContact O-CB 3.45Å; N71-S176 PolarHBondContact ND2-O 2.8Å; L174-S176 PolarHBondContact O-N 3.47Å
177K85.8Confident91.3Very high17 Ų1735.9 Ų35.97%0.07419%0.189CC..SBendtrans-117.4179.4-172-54.8-175.1-176.2178.30111.2T173 L174 L179 A180 S396 D399T173-K177 WeakPolarHBondContact O-CE 3.49Å; L174-K177 PolarHBondContact O-N 3.19Å; K177-L179 PolarHBondContact O-N 3.38Å; K177-A180 WeakPolarHBondContact O-CB 3.43Å; K177-A180 PolarHBondContact O-N 3.17Å; K177-S396 WeakPolarHBondContact CB-OG 3.37Å; K177-S396 WeakPolarHBondContact CD-OG 3.27Å; K177-D399 VanDerWaalsContact NZ-CG 3.31Å; K177-D399 IonicContact NZ-OD2 3.21Å; K177-D399 PolarHBondContact NZ-OD2 3.2Å
178I83.4Confident91.3Very high49 Ų4940.1 Ų40.125%0.25121%0.208SC..G310 helixtrans-56.1-26.6178.7-157.4165.5000113.2A180 I389 E392I178-A180 PolarHBondContact O-N 3.17Å; I178-I389 HydrophobicContact CD1-CB 4.23Å; I178-I389 HydrophobicContact CD1-CG1 3.82Å; I178-I389 HydrophobicContact CD1-CG2 4.23Å; I178-E392 HydrophobicContact CB-CG 4.05Å; I178-E392 HydrophobicContact CD1-CB 4.5Å; I178-E392 HydrophobicContact CG2-CB 3.95Å; I178-E392 HydrophobicContact CG2-CG 3.7Å
179L84.7Confident91.2Very high0 Ų039.1 Ų39.10%020%0.204CC..G310 helixtrans-78.60.6177.4-64-175.9000113.9L174 K177 S181 Y182 K183 F186 L216 A393L174-L179 HydrophobicContact CD2-CB 4.31Å; L174-L179 HydrophobicContact CD2-CD1 3.9Å; K177-L179 PolarHBondContact O-N 3.38Å; L179-S181 PolarHBondContact O-N 2.84Å; L179-S181 VanDerWaalsContact O-N 3.14Å; L179-Y182 CarbonylContact O-C 3.57Å; L179-Y182 VanDerWaalsContact O-C 3.24Å; L179-Y182 WeakPolarHBondContact O-CA 3.49Å; L179-Y182 PolarHBondContact O-N 3.45Å; L179-K183 WeakPolarHBondContact O-CA 3.4Å; L179-K183 PolarHBondContact O-N 3.4Å; L179-F186 HydrophobicContact CD1-CB 4.08Å; L179-F186 HydrophobicContact CD1-CD1 3.58Å; L179-F186 HydrophobicContact CD1-CD2 4.34Å; L179-F186 HydrophobicContact CD1-CE1 4.04Å; L179-F186 HydrophobicContact CD1-CG 3.74Å; L179-F186 HydrophobicContact CD2-CD1 4.21Å; L179-F186 HydrophobicContact CD2-CD2 3.88Å; L179-F186 HydrophobicContact CD2-CE1 4.05Å; L179-F186 HydrophobicContact CD2-CE2 3.71Å; L179-F186 HydrophobicContact CD2-CG 4.12Å; L179-F186 HydrophobicContact CD2-CZ 3.79Å; L179-F186 HydrophobicContact CG-CG 4.4Å; L179-L216 HydrophobicContact CD2-CD1 4.15Å; L179-L216 HydrophobicContact CD2-CD2 4.02Å; L179-A393 HydrophobicContact CD1-CB 4.33Å; L179-A393 HydrophobicContact CD2-CB 3.78Å; L179-A393 HydrophobicContact CG-CB 4.26Å
180A85.9Confident91.2Very high34 Ų3439.1 Ų39.128%0.28120%0.204SC..G310 helixtrans-53.6-38.3-178.200000113.1L174 G175 K177 I178 Y182 K183L174-A180 PolarHBondContact O-N 3.18Å; G175-A180 VanDerWaalsContact O-CB 3.32Å; G175-A180 WeakPolarHBondContact O-CB 3.35Å; K177-A180 WeakPolarHBondContact O-CB 3.43Å; K177-A180 PolarHBondContact O-N 3.17Å; I178-A180 PolarHBondContact O-N 3.17Å; A180-Y182 VanDerWaalsContact C-N 3.25Å; A180-Y182 PolarHBondContact O-N 2.89Å; A180-K183 WeakPolarHBondContact O-CG 3.34Å
181S87.7Confident91.1Very high107 Ų10739 Ų3975%0.74820%0.203SC*.G310 helixtrans-70-20.4177.6-59.20000113.7L179L179-S181 PolarHBondContact O-N 2.84Å; L179-S181 VanDerWaalsContact O-N 3.14Å
182Y90.8Very high91Very high85 Ų8539.3 Ų39.333%0.33321%0.206SC..G310 helixtrans-120.418.2-177.8-53.2-75.7000111.9L179 A180 E184 Q185 F186 L216 T217L179-Y182 CarbonylContact O-C 3.57Å; L179-Y182 VanDerWaalsContact O-C 3.24Å; L179-Y182 WeakPolarHBondContact O-CA 3.49Å; L179-Y182 PolarHBondContact O-N 3.45Å; A180-Y182 VanDerWaalsContact C-N 3.25Å; A180-Y182 PolarHBondContact O-N 2.89Å; Y182-E184 VanDerWaalsContact C-N 3.27Å; Y182-E184 PolarHBondContact O-N 2.88Å; Y182-Q185 PolarHBondContact O-N 2.92Å; Y182-Q185 VanDerWaalsContact O-N 3.14Å; Y182-F186 PolarHBondContact O-N 2.96Å; Y182-L216 HydrophobicContact CD2-CB 4.09Å; Y182-L216 HydrophobicContact CD2-CD1 3.86Å; Y182-L216 HydrophobicContact CE2-CB 4.09Å; Y182-L216 HydrophobicContact CE2-CD1 3.75Å; Y182-T217 HydrophobicContact CD1-CG2 3.62Å; Y182-T217 HydrophobicContact CE1-CG2 3.36Å
183K91.1Very high90.8Very high73 Ų7337.9 Ų37.932%0.31720%0.197SC..Hα-helixtrans-59.2-35.7-167.766-177.5-179.7173.50112.9L174 L179 A180 A187L174-K183 HydrophobicContact CB-CB 4.16Å; L179-K183 WeakPolarHBondContact O-CA 3.4Å; L179-K183 PolarHBondContact O-N 3.4Å; A180-K183 WeakPolarHBondContact O-CG 3.34Å; K183-A187 WeakPolarHBondContact O-CA 3.45Å; K183-A187 WeakPolarHBondContact O-CB 3.44Å; K183-A187 PolarHBondContact O-N 3.09Å
184E93.7Very high90.7Very high136 Ų13637.5 Ų37.564%0.63620%0.196SC*.Hα-helixtrans-63.5-46.3179.1-65.4179.3-170.200111.6Q167 Y182 K188Q167-E184 PolarHBondContact NE2-O 2.97Å; Q167-E184 VanDerWaalsContact NE2-O 3.16Å; Y182-E184 VanDerWaalsContact C-N 3.27Å; Y182-E184 PolarHBondContact O-N 2.88Å; E184-K188 WeakPolarHBondContact O-CB 2.92Å; E184-K188 PolarHBondContact O-N 3.23Å
185Q94.1Very high90.5Very high66 Ų6640.2 Ų40.231%0.30821%0.21SC..Hα-helixtrans-65.6-50.8178.3178.6178.1-0.700110.8Y182 K188 L189 T217 S219Y182-Q185 PolarHBondContact O-N 2.92Å; Y182-Q185 VanDerWaalsContact O-N 3.14Å; Q185-K188 WeakPolarHBondContact O-CB 3.2Å; Q185-K188 PolarHBondContact O-N 3.47Å; Q185-L189 HydrophobicContact CG-CD1 4.46Å; Q185-L189 WeakPolarHBondContact O-CG 3.49Å; Q185-L189 PolarHBondContact O-N 2.79Å; Q185-T217 PolarHBondContact NE2-O 3.27Å; Q185-S219 PolarHBondContact NE2-O 3.45Å
186F95.4Very high90.4Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-69.8-33.9-177.9-82.7-91.1000112.8L174 L179 Y182 K188 L189 A190 L216 V382L174-F186 HydrophobicContact CD1-CB 3.75Å; L179-F186 HydrophobicContact CD1-CB 4.08Å; L179-F186 HydrophobicContact CD1-CD1 3.58Å; L179-F186 HydrophobicContact CD1-CD2 4.34Å; L179-F186 HydrophobicContact CD1-CE1 4.04Å; L179-F186 HydrophobicContact CD1-CG 3.74Å; L179-F186 HydrophobicContact CD2-CD1 4.21Å; L179-F186 HydrophobicContact CD2-CD2 3.88Å; L179-F186 HydrophobicContact CD2-CE1 4.05Å; L179-F186 HydrophobicContact CD2-CE2 3.71Å; L179-F186 HydrophobicContact CD2-CG 4.12Å; L179-F186 HydrophobicContact CD2-CZ 3.79Å; L179-F186 HydrophobicContact CG-CG 4.4Å; Y182-F186 PolarHBondContact O-N 2.96Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-L189 HydrophobicContact CD1-CD1 4.4Å; F186-L189 PolarHBondContact O-N 2.94Å; F186-A190 WeakPolarHBondContact O-CB 3.32Å; F186-A190 PolarHBondContact O-N 3.41Å; F186-L216 HydrophobicContact CE2-CB 4.15Å; F186-L216 HydrophobicContact CE2-CD2 4.47Å; F186-L216 HydrophobicContact CZ-CB 4.28Å; F186-L216 HydrophobicContact CZ-CD2 3.95Å; F186-V382 HydrophobicContact CE1-CG1 4.47Å; F186-V382 HydrophobicContact CE1-CG2 4.37Å
187A95.5Very high90.3Very high0 Ų041.9 Ų41.90%021%0.21CC..Hα-helixtrans-62.3-42.5171.100000110.7Q167 A170 E171 L174 K183 L189 A190 V191Q167-A187 VanDerWaalsContact NE2-CB 3.31Å; A170-A187 HydrophobicContact CB-CB 3.63Å; E171-A187 HydrophobicContact CB-CB 4.45Å; E171-A187 HydrophobicContact CG-CB 3.53Å; L174-A187 HydrophobicContact CD1-CB 4.1Å; K183-A187 WeakPolarHBondContact O-CA 3.45Å; K183-A187 WeakPolarHBondContact O-CB 3.44Å; K183-A187 PolarHBondContact O-N 3.09Å; A187-L189 PolarHBondContact O-N 3.19Å; A187-A190 PolarHBondContact O-N 2.97Å; A187-V191 WeakPolarHBondContact O-CB 3.5Å; A187-V191 VanDerWaalsContact O-CG2 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.44Å; A187-V191 PolarHBondContact O-N 3.11Å
188K95.8Very high89.7Confident112 Ų11247.4 Ų47.449%0.48723%0.234SC..Hα-helixtrans-60.7-46.1175.3-175.7-177.1175.5-173.50111.6Q167 E184 Q185 F186 V191 D192Q167-K188 VanDerWaalsContact OE1-CA 3.28Å; E184-K188 WeakPolarHBondContact O-CB 2.92Å; E184-K188 PolarHBondContact O-N 3.23Å; Q185-K188 WeakPolarHBondContact O-CB 3.2Å; Q185-K188 PolarHBondContact O-N 3.47Å; F186-K188 VanDerWaalsContact C-N 3.32Å; K188-V191 PolarHBondContact O-N 3.15Å; K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 VanDerWaalsContact O-CG 3.25Å; K188-D192 PolarHBondContact O-N 3.02Å
189L95Very high88.7Confident20 Ų2054.9 Ų54.911%0.10526%0.259CS..Hα-helixtrans-59.9-45.7176.4-67.4176.1000111.9Q185 F186 A187 D192 A193 L221Q185-L189 HydrophobicContact CG-CD1 4.46Å; Q185-L189 WeakPolarHBondContact O-CG 3.49Å; Q185-L189 PolarHBondContact O-N 2.79Å; F186-L189 HydrophobicContact CD1-CD1 4.4Å; F186-L189 PolarHBondContact O-N 2.94Å; A187-L189 PolarHBondContact O-N 3.19Å; L189-D192 PolarHBondContact O-N 3.31Å; L189-A193 VanDerWaalsContact O-CB 3.28Å; L189-A193 WeakPolarHBondContact O-CB 3.38Å; L189-A193 PolarHBondContact O-N 2.89Å; L189-L221 HydrophobicContact CD2-CB 3.9Å
190A94Very high87.5Confident0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-62.5-43.1178.400000111.8F186 A187 A194 L397 A400 L401 L404F186-A190 WeakPolarHBondContact O-CB 3.32Å; F186-A190 PolarHBondContact O-N 3.41Å; A187-A190 PolarHBondContact O-N 2.97Å; A190-A194 VanDerWaalsContact O-CB 3.23Å; A190-A194 WeakPolarHBondContact O-CB 3.44Å; A190-A194 PolarHBondContact O-N 3.45Å; A190-L397 HydrophobicContact CB-CD1 3.82Å; A190-A400 HydrophobicContact CB-CB 4.25Å; A190-L401 HydrophobicContact CB-CD2 4.31Å; A190-L401 WeakPolarHBondContact O-CD2 3.4Å; A190-L404 HydrophobicContact CB-CD1 3.82Å
191V94.2Very high86.1Confident0 Ų061.9 Ų61.90%029%0.288CS..Hα-helixtrans-66.6-45.5177.7171.80000111.6R163 L166 Q167 A170 A187 K188 A193 A194 L195 L404R163-V191 HydrophobicContact CG-CG1 3.88Å; L166-V191 HydrophobicContact CB-CG1 4.16Å; L166-V191 HydrophobicContact CB-CG2 3.89Å; L166-V191 HydrophobicContact CD1-CG1 4.36Å; Q167-V191 HydrophobicContact CB-CG2 4.48Å; A170-V191 HydrophobicContact CB-CG2 4.33Å; A187-V191 WeakPolarHBondContact O-CB 3.5Å; A187-V191 VanDerWaalsContact O-CG2 3.24Å; A187-V191 WeakPolarHBondContact O-CG2 3.44Å; A187-V191 PolarHBondContact O-N 3.11Å; K188-V191 PolarHBondContact O-N 3.15Å; V191-A193 VanDerWaalsContact C-N 3.31Å; V191-A193 PolarHBondContact O-N 3.16Å; V191-A194 PolarHBondContact O-N 3.06Å; V191-L195 HydrophobicContact CG1-CD1 3.8Å; V191-L195 HydrophobicContact CG1-CG 4.27Å; V191-L195 WeakPolarHBondContact O-CB 3.38Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.01Å; V191-L404 HydrophobicContact CG2-CD1 4.01Å; V191-L404 HydrophobicContact CG2-CD2 4.31Å
192D92.5Very high84.6Confident51 Ų5160.1 Ų60.127%0.27327%0.273SS..Hα-helixtrans-63-40.6178.9-70.9-21.5000110.8R163 K188 L189 R196 L221R163-D192 IonicContact CZ-OD1 3.74Å; R163-D192 IonicContact NE-OD1 3.91Å; R163-D192 IonicContact NH2-OD1 3.7Å; R163-D192 PolarHBondContact NH2-OD1 3.23Å; R163-D192 IonicContact NH2-OD2 3.47Å; K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 VanDerWaalsContact O-CG 3.25Å; K188-D192 PolarHBondContact O-N 3.02Å; L189-D192 PolarHBondContact O-N 3.31Å; D192-R196 VanDerWaalsContact O-CB 3.26Å; D192-R196 WeakPolarHBondContact O-CB 3.14Å; D192-R196 PolarHBondContact O-N 3.32Å; D192-R196 VanDerWaalsContact O-N 3.09Å; D192-L221 HydrophobicContact CB-CD2 3.77Å
193A91.2Very high83.1Confident0 Ų057.9 Ų57.90%027%0.27CS..Hα-helixtrans-65.2-50.4173.800000112.4L189 V191 L195 R196 T197 V206 L221 I380 L401L189-A193 VanDerWaalsContact O-CB 3.28Å; L189-A193 WeakPolarHBondContact O-CB 3.38Å; L189-A193 PolarHBondContact O-N 2.89Å; V191-A193 VanDerWaalsContact C-N 3.31Å; V191-A193 PolarHBondContact O-N 3.16Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 2.88Å; A193-R196 WeakPolarHBondContact O-CB 3.5Å; A193-R196 PolarHBondContact O-N 3.22Å; A193-R196 VanDerWaalsContact O-N 3.16Å; A193-T197 WeakPolarHBondContact O-CG2 3.33Å; A193-T197 PolarHBondContact O-N 2.79Å; A193-T197 PolarHBondContact O-OG1 2.83Å; A193-T197 VanDerWaalsContact O-OG1 3.12Å; A193-V206 HydrophobicContact CB-CG1 4.19Å; A193-V206 HydrophobicContact CB-CG2 4.12Å; A193-L221 HydrophobicContact CB-CD1 4.14Å; A193-L221 HydrophobicContact CB-CD2 4.44Å; A193-I380 HydrophobicContact CB-CD1 3.77Å; A193-I380 HydrophobicContact CB-CG1 4.38Å; A193-L401 HydrophobicContact CB-CD2 4.03Å
194A90.3Very high81.9Confident2 Ų259.2 Ų59.22%0.01728%0.28CS..Hα-helixtrans-62.3-38.6-179.500000112.6A190 V191 T197 K198 L401 L404 M408A190-A194 VanDerWaalsContact O-CB 3.23Å; A190-A194 WeakPolarHBondContact O-CB 3.44Å; A190-A194 PolarHBondContact O-N 3.45Å; V191-A194 PolarHBondContact O-N 3.06Å; A194-T197 CarbonylContact O-C 3.52Å; A194-T197 PolarHBondContact O-N 3.43Å; A194-T197 PolarHBondContact O-OG1 3.4Å; A194-K198 PolarHBondContact O-N 2.83Å; A194-L401 HydrophobicContact CB-CD2 4.35Å; A194-L404 HydrophobicContact CB-CB 3.96Å; A194-L404 HydrophobicContact CB-CD1 4.06Å; A194-M408 HydrophobicContact CB-SD 4.1Å
195L88.9Confident81.1Confident56 Ų5652.8 Ų52.829%0.29325%0.25SS..Hα-helixtrans-68.5-37.5175.6-74.3175.8000112.1F162 R163 L166 V191 A193 T197 K198 M408F162-L195 HydrophobicContact CE1-CD2 4.42Å; R163-L195 HydrophobicContact CG-CD1 4.04Å; L166-L195 HydrophobicContact CD1-CD2 3.78Å; L166-L195 HydrophobicContact CD1-CG 4.12Å; V191-L195 HydrophobicContact CG1-CD1 3.8Å; V191-L195 HydrophobicContact CG1-CG 4.27Å; V191-L195 WeakPolarHBondContact O-CB 3.38Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.01Å; A193-L195 VanDerWaalsContact C-N 3.34Å; A193-L195 PolarHBondContact O-N 2.88Å; L195-T197 VanDerWaalsContact C-N 3.35Å; L195-K198 VanDerWaalsContact O-CB 3.29Å; L195-K198 WeakPolarHBondContact O-CB 3.43Å; L195-K198 PolarHBondContact O-N 3.08Å; L195-M408 HydrophobicContact CD2-CE 4.38Å
196R84.9Confident80.7Confident67 Ų6750.5 Ų50.525%0.25324%0.24SC..Hα-helixtrans-65.6-39.3175.1179.2171.2177.31782.1111.5D192 A193 K198 D222 D223 G375D192-R196 VanDerWaalsContact O-CB 3.26Å; D192-R196 WeakPolarHBondContact O-CB 3.14Å; D192-R196 PolarHBondContact O-N 3.32Å; D192-R196 VanDerWaalsContact O-N 3.09Å; A193-R196 WeakPolarHBondContact O-CB 3.5Å; A193-R196 PolarHBondContact O-N 3.22Å; A193-R196 VanDerWaalsContact O-N 3.16Å; R196-K198 VanDerWaalsContact C-N 3.34Å; R196-D222 PolarHBondContact NH1-O 3.44Å; R196-D223 PolarHBondContact NH1-O 2.74Å; R196-D223 PolarHBondContact NH2-O 2.99Å; R196-G375 VanDerWaalsContact CG-O 3.25Å; R196-G375 WeakPolarHBondContact CG-O 3.38Å
197T80.7Confident80.3Confident5 Ų552 Ų523%0.03125%0.25CC..THydrogen-bonded Turntrans-90.310.6178.964.70000114.2A193 A194 L195 R199 S200 S205 V206 A376A193-T197 WeakPolarHBondContact O-CG2 3.33Å; A193-T197 PolarHBondContact O-N 2.79Å; A193-T197 PolarHBondContact O-OG1 2.83Å; A193-T197 VanDerWaalsContact O-OG1 3.12Å; A194-T197 CarbonylContact O-C 3.52Å; A194-T197 PolarHBondContact O-N 3.43Å; A194-T197 PolarHBondContact O-OG1 3.4Å; L195-T197 VanDerWaalsContact C-N 3.35Å; T197-R199 PolarHBondContact O-N 3.27Å; T197-S200 WeakPolarHBondContact O-CA 3.3Å; T197-S200 WeakPolarHBondContact O-CB 3.36Å; T197-S200 PolarHBondContact O-N 2.82Å; T197-S205 WeakPolarHBondContact CB-OG 3.4Å; T197-S205 WeakPolarHBondContact CG2-OG 3.38Å; T197-S205 PolarHBondContact OG1-OG 3.41Å; T197-V206 HydrophobicContact CG2-CG2 3.76Å; T197-A376 WeakPolarHBondContact CG2-O 3.35Å
198K72.9Confident80.2Confident132 Ų13253.2 Ų53.257%0.57426%0.257SS*.THydrogen-bonded Turntrans-49.5-29.4-179.9-177.5166.9-173176.70115.1A194 L195 R196 M408A194-K198 PolarHBondContact O-N 2.83Å; L195-K198 VanDerWaalsContact O-CB 3.29Å; L195-K198 WeakPolarHBondContact O-CB 3.43Å; L195-K198 PolarHBondContact O-N 3.08Å; R196-K198 VanDerWaalsContact C-N 3.34Å; K198-M408 HydrophobicContact CB-CE 3.47Å; K198-M408 VanDerWaalsContact CB-CE 3.47Å; K198-M408 HydrophobicContact CD-CE 3.63Å; K198-M408 HydrophobicContact CG-CE 3.35Å
199R63.3Low80Confident206 Ų20648.3 Ų48.378%0.77724%0.236SC*.THydrogen-bonded Turntrans-78.6-22.2178.1-71.2-175.3176.9169.80.4113.4T197T197-R199 PolarHBondContact O-N 3.27Å
200S59.6Low79.9Confident19 Ų1951.3 Ų51.313%0.13325%0.248CC..  trans-80.6123.2171.9-163.70000108.2T197 T202T197-S200 WeakPolarHBondContact O-CA 3.3Å; T197-S200 WeakPolarHBondContact O-CB 3.36Å; T197-S200 PolarHBondContact O-N 2.82Å; S200-T202 PolarHBondContact O-N 2.98Å; S200-T202 PolarHBondContact OG-OG1 3.37Å; S200-T202 VanDerWaalsContact OG-OG1 3.04Å
201E56Low79.9Confident163 Ų16351.6 Ų51.676%0.76225%0.25SS*.SBendtrans-70.9-10.2176.4-64.5-173.1170.100112.5K409E201-K409 WeakPolarHBondContact O-CE 3.45Å; E201-K409 PolarHBondContact O-NZ 3.43Å
202T57.3Low79.8Confident70 Ų7056.9 Ų56.943%0.42928%0.278SS..SBendtrans-111.6136.2-172.4540000112.7S200 D204 S205S200-T202 PolarHBondContact O-N 2.98Å; S200-T202 PolarHBondContact OG-OG1 3.37Å; S200-T202 VanDerWaalsContact OG-OG1 3.04Å; T202-D204 PolarHBondContact O-N 3.48Å; T202-S205 PolarHBondContact O-N 3.27Å; T202-S205 PolarHBondContact O-OG 2.9Å
203S58Low79.6Confident38 Ų3856 Ų5627%0.26628%0.281SS..G310 helixtrans-62.1-26.5172440000112.2S205 V206S203-S205 PolarHBondContact O-N 2.92Å; S203-V206 PolarHBondContact O-N 3.25Å
204D67.2Low79.4Confident101 Ų10158.4 Ų58.454%0.5431%0.306SS..G310 helixtrans-63.38175.4-61.1-17.6000114.5T202 Q329T202-D204 PolarHBondContact O-N 3.48Å; D204-Q329 WeakPolarHBondContact O-CG 3.43Å; D204-Q329 PolarHBondContact O-NE2 3.4Å
205S76.2Confident79.4Confident1 Ų160.3 Ų60.31%0.00732%0.319CS..G310 helixtrans-85.2-10173.849.40000113.4T197 T202 S203 A376 A377 C378T197-S205 WeakPolarHBondContact CB-OG 3.4Å; T197-S205 WeakPolarHBondContact CG2-OG 3.38Å; T197-S205 PolarHBondContact OG1-OG 3.41Å; T202-S205 PolarHBondContact O-N 3.27Å; T202-S205 PolarHBondContact O-OG 2.9Å; S203-S205 PolarHBondContact O-N 2.92Å; S205-A376 WeakPolarHBondContact CB-O 3.42Å; S205-A377 CarbonylContact O-C 3.58Å; S205-A377 WeakPolarHBondContact O-CA 3.47Å; S205-A377 WeakPolarHBondContact O-CB 3.49Å; S205-C378 PolarHBondContact O-N 3.11Å; S205-C378 VanDerWaalsContact O-N 3.07Å
206V86.3Confident79.6Confident17 Ų1758.3 Ų58.310%0.10331%0.309CS..EExtended strand (participates in β ladder)trans-109.4115.3178-174.70000109.4A193 T197 S203 C378 I380 L401A193-V206 HydrophobicContact CB-CG1 4.19Å; A193-V206 HydrophobicContact CB-CG2 4.12Å; T197-V206 HydrophobicContact CG2-CG2 3.76Å; S203-V206 PolarHBondContact O-N 3.25Å; V206-C378 WeakPolarHBondContact CA-O 3.39Å; V206-I380 HydrophobicContact CG1-CD1 3.62Å; V206-I380 HydrophobicContact CG1-CG1 3.93Å; V206-L401 HydrophobicContact CB-CD1 3.85Å; V206-L401 HydrophobicContact CG1-CD1 3.71Å; V206-L401 HydrophobicContact CG2-CD1 4.28Å; V206-L401 HydrophobicContact CG2-CD2 4.18Å
207T87.4Confident79.9Confident32 Ų3258 Ų5820%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-91.6124.1175.9-450000109.5F225 Q329 C378 S379 I380T207-F225 WeakPolarHBondContact OG1-CE2 3.03Å; T207-Q329 PolarHBondContact OG1-OE1 3.09Å; T207-C378 PolarHBondContact N-O 3.14Å; T207-S379 CarbonylContact O-C 3.58Å; T207-S379 VanDerWaalsContact O-CA 3.24Å; T207-S379 WeakPolarHBondContact O-CA 3.32Å; T207-I380 PolarHBondContact O-N 2.89Å
208V91.8Very high80.5Confident25 Ų2561.8 Ų61.815%0.15233%0.334CS..EExtended strand (participates in β ladder)trans-94.1124.8172.6-175.60000109.4I380 V382 E394 L397V208-I380 CarbonylContact C-O 3.52Å; V208-I380 WeakPolarHBondContact CA-O 3.32Å; V208-V382 HydrophobicContact CG1-CB 4.31Å; V208-V382 HydrophobicContact CG1-CG2 3.64Å; V208-E394 HydrophobicContact CB-CG 4.03Å; V208-E394 HydrophobicContact CG1-CB 4.05Å; V208-E394 HydrophobicContact CG1-CG 3.92Å; V208-L397 HydrophobicContact CG1-CD2 4.33Å; V208-L397 HydrophobicContact CG2-CD2 3.86Å; V208-L397 HydrophobicContact CG2-CG 4.49Å
209I92.2Very high81.6Confident10 Ų1055.7 Ų55.75%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-105.2114.8178-65.4177.2000108.8V211 L226 Y366 I380 V381 V382I209-V211 HydrophobicContact CG2-CG2 4.13Å; I209-L226 HydrophobicContact CD1-CB 3.24Å; I209-L226 HydrophobicContact CD1-CD1 3.76Å; I209-L226 HydrophobicContact CD1-CG 4.15Å; I209-Y366 HydrophobicContact CD1-CD1 4Å; I209-Y366 HydrophobicContact CD1-CE1 3.93Å; I209-Y366 HydrophobicContact CG1-CE1 4.42Å; I209-Y366 HydrophobicContact CG2-CD1 4.47Å; I209-Y366 HydrophobicContact CG2-CE1 3.51Å; I209-Y366 WeakPolarHBondContact CG2-OH 3.46Å; I209-I380 PolarHBondContact N-O 3.43Å; I209-V381 HydrophobicContact CB-CG2 4.49Å; I209-V382 PolarHBondContact O-N 3.07Å
210K93.7Very high83.1Confident82 Ų8249.6 Ų49.636%0.35729%0.286SS..EExtended strand (participates in β ladder)trans-83.3125.3178.2-64.6-168-79.4-159.40111.7V390 D391 E394K210-V390 HydrophobicContact CB-CG1 3.51Å; K210-V390 HydrophobicContact CD-CG1 3.8Å; K210-V390 HydrophobicContact CG-CG1 3.56Å; K210-D391 WeakPolarHBondContact CD-OD1 3.33Å; K210-D391 IonicContact NZ-OD1 2.83Å; K210-D391 PolarHBondContact NZ-OD1 2.86Å; K210-E394 HydrophobicContact CD-CB 4.3Å; K210-E394 WeakPolarHBondContact CD-OE2 3.32Å; K210-E394 WeakPolarHBondContact CE-OE2 3.23Å; K210-E394 HydrophobicContact CG-CB 4.44Å; K210-E394 IonicContact NZ-OE2 2.8Å; K210-E394 PolarHBondContact NZ-OE2 2.7Å
211V93.5Very high84.7Confident7 Ų750.3 Ų50.34%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-126.4118.2177.4-171.30000109I209 I361 V381 V382 F383 G384I209-V211 HydrophobicContact CG2-CG2 4.13Å; V211-I361 HydrophobicContact CG2-CG2 3.79Å; V211-V381 HydrophobicContact CG2-CG1 3.64Å; V211-V382 PolarHBondContact N-O 3.21Å; V211-F383 HydrophobicContact CB-CD1 3.77Å; V211-F383 HydrophobicContact CB-CE1 3.81Å; V211-F383 HydrophobicContact CB-CG 4.34Å; V211-F383 HydrophobicContact CB-CZ 4.38Å; V211-F383 HydrophobicContact CG1-CD1 3.69Å; V211-F383 HydrophobicContact CG1-CE1 3.44Å; V211-F383 VanDerWaalsContact CG1-CE1 3.44Å; V211-F383 HydrophobicContact CG1-CZ 4.27Å; V211-F383 HydrophobicContact CG2-CE1 4.35Å; V211-F383 HydrophobicContact CG2-CZ 4.48Å; V211-F383 WeakPolarHBondContact O-CA 3.31Å; V211-G384 PolarHBondContact O-N 3.42Å
212L92.2Very high86.4Confident110 Ų11042.9 Ų42.958%0.57625%0.253SS*.EExtended strand (participates in β ladder)trans-75.9137.1175-67.3172.1000110E387 V390L212-E387 HydrophobicContact CD2-CB 3.99Å; L212-V390 HydrophobicContact CD2-CG2 4.37Å
213G88.2Confident87.6Confident33 Ų3346.5 Ų46.534%0.3427%0.27SS..BIsolated β-bridgetrans98.6168.2-173.500000112.8G384G213-G384 PolarHBondContact N-O 3.46Å; G213-G384 PolarHBondContact O-N 2.96Å; G213-G384 VanDerWaalsContact O-N 3.16Å
214G87.4Confident88.8Confident51 Ų5144.7 Ų44.753%0.52626%0.257SS..SBendtrans72.9-170.9-175.600000113.7
215S90.7Very high89.8Confident42 Ų4240 Ų4029%0.29423%0.232SC..  trans-105.3153176.8175.40000110.6T217 D218 F383S215-T217 VanDerWaalsContact CB-OG1 3.27Å; S215-T217 WeakPolarHBondContact CB-OG1 3.49Å; S215-T217 PolarHBondContact O-N 2.99Å; S215-T217 VanDerWaalsContact O-N 3.1Å; S215-T217 PolarHBondContact OG-N 3.4Å; S215-T217 PolarHBondContact OG-OG1 3.37Å; S215-D218 PolarHBondContact N-OD2 2.97Å; S215-D218 WeakPolarHBondContact O-CB 3.42Å; S215-D218 PolarHBondContact O-N 3.16Å; S215-F383 WeakPolarHBondContact O-CB 3.42Å
216L91.3Very high90.5Very high14 Ų1440 Ų407%0.07323%0.232CC..G310 helixtrans-54.6-29.5170.9-78.3167.4000112.2L179 Y182 F186 D218 S219 V382 F383 I389 A393L179-L216 HydrophobicContact CD2-CD1 4.15Å; L179-L216 HydrophobicContact CD2-CD2 4.02Å; Y182-L216 HydrophobicContact CD2-CB 4.09Å; Y182-L216 HydrophobicContact CD2-CD1 3.86Å; Y182-L216 HydrophobicContact CE2-CB 4.09Å; Y182-L216 HydrophobicContact CE2-CD1 3.75Å; F186-L216 HydrophobicContact CE2-CB 4.15Å; F186-L216 HydrophobicContact CE2-CD2 4.47Å; F186-L216 HydrophobicContact CZ-CB 4.28Å; F186-L216 HydrophobicContact CZ-CD2 3.95Å; L216-D218 PolarHBondContact O-N 3.07Å; L216-S219 WeakPolarHBondContact O-CB 3.34Å; L216-S219 PolarHBondContact O-N 2.6Å; L216-S219 PolarHBondContact O-OG 2.85Å; L216-V382 HydrophobicContact CD2-CG1 4.25Å; L216-F383 WeakPolarHBondContact CA-O 3.5Å; L216-F383 VanDerWaalsContact CD2-O 3.27Å; L216-F383 WeakPolarHBondContact CD2-O 3.43Å; L216-I389 HydrophobicContact CD1-CG2 3.72Å; L216-I389 HydrophobicContact CD2-CG2 4.09Å; L216-I389 HydrophobicContact CG-CG2 4.01Å; L216-A393 HydrophobicContact CD2-CB 3.75Å
217T92Very high90.7Very high59 Ų5939.3 Ų39.336%0.36223%0.228SC..G310 helixtrans-64.7-21176.2540000114Y182 Q185 S215 S219Y182-T217 HydrophobicContact CD1-CG2 3.62Å; Y182-T217 HydrophobicContact CE1-CG2 3.36Å; Q185-T217 PolarHBondContact NE2-O 3.27Å; S215-T217 VanDerWaalsContact CB-OG1 3.27Å; S215-T217 WeakPolarHBondContact CB-OG1 3.49Å; S215-T217 PolarHBondContact O-N 2.99Å; S215-T217 VanDerWaalsContact O-N 3.1Å; S215-T217 PolarHBondContact OG-N 3.4Å; S215-T217 PolarHBondContact OG-OG1 3.37Å; T217-S219 PolarHBondContact O-N 3Å
218D93.2Very high90.7Very high86 Ų8641.5 Ų41.546%0.4624%0.243SC..G310 helixtrans-82.4-3.5179.7-53.5-34.4000111.7S215 L216 Y220 F383S215-D218 PolarHBondContact N-OD2 2.97Å; S215-D218 WeakPolarHBondContact O-CB 3.42Å; S215-D218 PolarHBondContact O-N 3.16Å; L216-D218 PolarHBondContact O-N 3.07Å; D218-Y220 WeakPolarHBondContact O-CD1 3.41Å; D218-F383 HydrophobicContact CB-CB 4.35Å; D218-F383 HydrophobicContact CB-CD2 4.07Å; D218-F383 HydrophobicContact CB-CG 4.25Å; D218-F383 WeakPolarHBondContact O-CD2 3.09Å
219S95.4Very high90.5Very high3 Ų343.7 Ų43.72%0.02125%0.25CS..  trans-68.7139.4178.6-520000111.8Q185 L216 T217 V381 V382 F383Q185-S219 PolarHBondContact NE2-O 3.45Å; L216-S219 WeakPolarHBondContact O-CB 3.34Å; L216-S219 PolarHBondContact O-N 2.6Å; L216-S219 PolarHBondContact O-OG 2.85Å; T217-S219 PolarHBondContact O-N 3Å; S219-V381 CarbonylContact C-O 3.59Å; S219-V381 WeakPolarHBondContact CA-O 3.5Å; S219-V381 VanDerWaalsContact CB-O 3.24Å; S219-V381 WeakPolarHBondContact CB-O 3.42Å; S219-V382 WeakPolarHBondContact OG-CA 3.44Å; S219-F383 PolarHBondContact OG-N 3.28Å; S219-F383 VanDerWaalsContact OG-N 3.1Å
220Y95.6Very high90.2Very high78 Ų7848.9 Ų48.931%0.30627%0.274SS..EExtended strand (participates in β ladder)trans-149158.5-175.566.9-92.8000112.8D218 D222 V381 F383D218-Y220 WeakPolarHBondContact O-CD1 3.41Å; Y220-D222 HydrophobicContact CE2-CB 4.13Å; Y220-V381 HydrophobicContact CD1-CB 4.42Å; Y220-V381 HydrophobicContact CE1-CB 4.08Å; Y220-V381 HydrophobicContact CE1-CG1 4.34Å; Y220-V381 HydrophobicContact CE1-CG2 4.38Å; Y220-V381 HydrophobicContact CE2-CB 4.39Å; Y220-V381 HydrophobicContact CE2-CG2 4Å; Y220-V381 PolarHBondContact N-O 3.15Å; Y220-V381 PolarHBondContact O-N 3.39Å; Y220-F383 HydrophobicContact CD1-CE2 4.32Å; Y220-F383 AromaticContact CE1-CE2 3.95Å; Y220-F383 HydrophobicContact CE1-CE2 3.95Å
221L93.9Very high89.8Confident35 Ų3545.6 Ų45.618%0.18326%0.261CS..EExtended strand (participates in β ladder)trans-88.3121.7170.2175.164.7000108.5L189 D192 A193 C378 I380L189-L221 HydrophobicContact CD2-CB 3.9Å; D192-L221 HydrophobicContact CB-CD2 3.77Å; A193-L221 HydrophobicContact CB-CD1 4.14Å; A193-L221 HydrophobicContact CB-CD2 4.44Å; L221-C378 HydrophobicContact CD1-CB 3.95Å; L221-I380 HydrophobicContact CD1-CG1 3.62Å
222D91.4Very high89.3Confident6 Ų645.7 Ų45.73%0.03226%0.264CS..  trans-75.4137.9178.6-162.2-82.9000110.4R196 Y220 G224 L226 R368 S379R196-D222 PolarHBondContact NH1-O 3.44Å; Y220-D222 HydrophobicContact CE2-CB 4.13Å; D222-G224 PolarHBondContact O-N 3.33Å; D222-G224 WeakPolarHBondContact OD1-CA 3.44Å; D222-G224 PolarHBondContact OD1-N 3.45Å; D222-L226 HydrophobicContact CB-CD1 3.85Å; D222-L226 HydrophobicContact CB-CG 4.21Å; D222-R368 IonicContact OD1-NE 2.97Å; D222-R368 PolarHBondContact OD1-NE 3.27Å; D222-R368 IonicContact OD2-CZ 3.26Å; D222-R368 IonicContact OD2-NE 3.19Å; D222-R368 PolarHBondContact OD2-NE 3.16Å; D222-R368 IonicContact OD2-NH2 2.64Å; D222-R368 PolarHBondContact OD2-NH2 2.87Å; D222-S379 WeakPolarHBondContact CB-O 3.45Å; D222-S379 PolarHBondContact N-O 2.87Å
223D82.2Confident88.9Confident146 Ų14646.7 Ų46.778%0.78127%0.269SS*.SBendtrans-64.4-20.6176.8-71.8-35.8000112.1R196R196-D223 PolarHBondContact NH1-O 2.74Å; R196-D223 PolarHBondContact NH2-O 2.99Å
224G82.4Confident88.8Confident0 Ų055.3 Ų55.30%029%0.293CS..SBendtrans-106.3-151.9178.200000114.1D222 F369D222-G224 PolarHBondContact O-N 3.33Å; D222-G224 WeakPolarHBondContact OD1-CA 3.44Å; D222-G224 PolarHBondContact OD1-N 3.45Å; G224-F369 CarbonylContact C-O 3.55Å; G224-F369 WeakPolarHBondContact CA-O 3.33Å
225F88.7Confident89Confident2 Ų253.3 Ų53.31%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-121.6136.6166.2-177.1-95.2000108.4T207 L227 Q329 L330 V333 F369T207-F225 WeakPolarHBondContact OG1-CE2 3.03Å; F225-L227 HydrophobicContact CE1-CB 4.45Å; F225-L227 HydrophobicContact CE1-CD1 4.41Å; F225-Q329 HydrophobicContact CE2-CB 4Å; F225-Q329 HydrophobicContact CZ-CB 3.98Å; F225-L330 HydrophobicContact CD1-CD2 3.58Å; F225-L330 HydrophobicContact CD1-CG 4.35Å; F225-L330 HydrophobicContact CE1-CD2 3.54Å; F225-L330 HydrophobicContact CE1-CG 3.83Å; F225-V333 HydrophobicContact CB-CG1 3.99Å; F225-V333 HydrophobicContact CB-CG2 4.26Å; F225-V333 HydrophobicContact CD2-CG2 3.93Å; F225-V333 HydrophobicContact CG-CG2 4.19Å; F225-F369 HydrophobicContact CB-CB 4.36Å; F225-F369 HydrophobicContact CD1-CD2 4.25Å; F225-F369 PolarHBondContact N-O 2.78Å; F225-F369 WeakPolarHBondContact O-CD2 3.2Å; F225-F369 PolarHBondContact O-N 3.39Å
226L91.1Very high89Confident1 Ų153 Ų531%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-111.9129.1-176.9-70.2170.9000109.7I209 D222 V359 I361 L367 R368 S379 V381I209-L226 HydrophobicContact CD1-CB 3.24Å; I209-L226 HydrophobicContact CD1-CD1 3.76Å; I209-L226 HydrophobicContact CD1-CG 4.15Å; D222-L226 HydrophobicContact CB-CD1 3.85Å; D222-L226 HydrophobicContact CB-CG 4.21Å; L226-V359 HydrophobicContact CD2-CG2 3.92Å; L226-I361 HydrophobicContact CD1-CD1 3.57Å; L226-I361 HydrophobicContact CD2-CD1 3.92Å; L226-I361 HydrophobicContact CG-CD1 4.39Å; L226-L367 WeakPolarHBondContact CA-O 3.34Å; L226-R368 HydrophobicContact CD2-CB 3.73Å; L226-R368 HydrophobicContact CD2-CG 4Å; L226-S379 PolarHBondContact N-OG 3.49Å; L226-V381 HydrophobicContact CD1-CG2 3.5Å
227L89.7Confident88.9Confident3 Ų356.3 Ų56.32%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-119.2123.4178.6-174.471.8000109.9F225 K229 I319 L330 Y366 L367 F369F225-L227 HydrophobicContact CE1-CB 4.45Å; F225-L227 HydrophobicContact CE1-CD1 4.41Å; L227-K229 HydrophobicContact CD2-CB 3.99Å; L227-K229 HydrophobicContact CD2-CG 4.07Å; L227-K229 HydrophobicContact CG-CB 4.03Å; L227-K229 HydrophobicContact CG-CG 3.97Å; L227-K229 PolarHBondContact O-N 3.42Å; L227-I319 HydrophobicContact CD2-CG2 3.71Å; L227-L330 HydrophobicContact CD1-CD1 4.35Å; L227-L330 HydrophobicContact CD2-CD1 4.21Å; L227-Y366 CarbonylContact O-C 3.55Å; L227-Y366 WeakPolarHBondContact O-CA 3.47Å; L227-L367 HydrophobicContact CB-CB 4.4Å; L227-L367 PolarHBondContact N-O 2.74Å; L227-L367 PolarHBondContact O-N 3.14Å; L227-F369 HydrophobicContact CB-CE2 3.91Å; L227-F369 HydrophobicContact CD2-CE2 4.26Å; L227-F369 HydrophobicContact CD2-CZ 4.45Å
228P88.2Confident89Confident79 Ų7959.7 Ų59.751%0.51329%0.288SS..SBendtrans-74.863.6178.530.8-35.3000111.7Y366P228-Y366 HydrophobicContact CB-CD1 3.86Å; P228-Y366 HydrophobicContact CB-CE1 3.67Å
229K88.2Confident89.1Confident70 Ų7056.2 Ų56.230%0.30427%0.269SS..  trans-141.9160.4-178.9-73.2-66.6-176.8159.50110.5L227 I319 E320 L367L227-K229 HydrophobicContact CD2-CB 3.99Å; L227-K229 HydrophobicContact CD2-CG 4.07Å; L227-K229 HydrophobicContact CG-CB 4.03Å; L227-K229 HydrophobicContact CG-CG 3.97Å; L227-K229 PolarHBondContact O-N 3.42Å; K229-I319 HydrophobicContact CB-CG2 4.27Å; K229-E320 WeakPolarHBondContact CD-O 3.34Å; K229-E320 WeakPolarHBondContact CE-O 3.32Å; K229-E320 PolarHBondContact NZ-O 3.1Å; K229-E320 VanDerWaalsContact NZ-O 3.1Å; K229-L367 HydrophobicContact CB-CD1 4.34Å; K229-L367 WeakPolarHBondContact O-CG 3.43Å
230Q85.7Confident89Confident119 Ų11962 Ų6256%0.55630%0.296SS*.  trans-121.9150.1172-66.9-179.6-13.800109L358 T365Q230-L358 HydrophobicContact CG-CD2 4.31Å; Q230-T365 PolarHBondContact NE2-OG1 2.94Å; Q230-T365 VanDerWaalsContact NE2-OG1 3.11Å
231P86Confident88.9Confident14 Ų1465.1 Ų65.19%0.09131%0.311CS..PPolyproline II helixtrans-60.1158.7170-24.435.7000112.4Q235 M317 L367P231-Q235 HydrophobicContact CB-CB 4.36Å; P231-M317 HydrophobicContact CB-CG 4.01Å; P231-M317 HydrophobicContact CG-CE 3.95Å; P231-M317 HydrophobicContact CG-CG 4.04Å; P231-M317 HydrophobicContact CG-SD 4.17Å; P231-L367 HydrophobicContact CG-CD1 4.43Å; P231-L367 HydrophobicContact CG-CD2 3.99Å
232G81.5Confident88.9Confident9 Ų963.5 Ų63.59%0.09330%0.302CS..PPolyproline II helixtrans-62.7166.3171.900000113.2Q235G232-Q235 WeakPolarHBondContact O-CB 3.46Å; G232-Q235 PolarHBondContact O-N 2.87Å
233L83.9Confident89.1Confident130 Ų13067.8 Ų67.868%0.68132%0.318SS*.THydrogen-bonded Turntrans-60.5139.1-179-86.184.3000111.8Q235L233-Q235 PolarHBondContact O-N 2.63Å; L233-Q235 VanDerWaalsContact O-N 3.12Å
234Y87.4Confident89.7Confident215 Ų21560.9 Ų60.984%0.84328%0.281SS*.THydrogen-bonded Turntrans61.510.1179.6-52.1-73.9000115.9
235Q91Very high90.3Very high8 Ų860.9 Ų60.94%0.03728%0.281CS..SBendtrans-85.5159.3174.3-64.7173.12.800111.4P231 G232 L233 Q237 E308 A312 A318P231-Q235 HydrophobicContact CB-CB 4.36Å; G232-Q235 WeakPolarHBondContact O-CB 3.46Å; G232-Q235 PolarHBondContact O-N 2.87Å; L233-Q235 PolarHBondContact O-N 2.63Å; L233-Q235 VanDerWaalsContact O-N 3.12Å; Q235-Q237 PolarHBondContact O-N 3.33Å; Q235-Q237 PolarHBondContact O-NE2 3.49Å; Q235-Q237 VanDerWaalsContact O-NE2 3.1Å; Q235-E308 PolarHBondContact NE2-O 3.4Å; Q235-A312 HydrophobicContact CG-CB 3.88Å; Q235-A318 PolarHBondContact OE1-O 2.99Å
236P90.4Very high90.5Very high36 Ų3660.9 Ų60.923%0.23428%0.281CS..  trans-56.7132.7175.7-21.732.1000111.4I239 K315 M317P236-I239 HydrophobicContact CB-CD1 4.22Å; P236-I239 HydrophobicContact CB-CG1 4Å; P236-K315 HydrophobicContact CG-CB 4.41Å; P236-K315 WeakPolarHBondContact CG-O 3.47Å; P236-M317 WeakPolarHBondContact O-CE 3.11Å
237Q89.4Confident90.6Very high83 Ų8360.9 Ų60.939%0.38828%0.281SS..SBendtrans-92.3-10.9178-58.5-59-40.200112.9Q235 L358Q235-Q237 PolarHBondContact O-N 3.33Å; Q235-Q237 PolarHBondContact O-NE2 3.49Å; Q235-Q237 VanDerWaalsContact O-NE2 3.1Å; Q237-L358 HydrophobicContact CB-CD1 4.49Å; Q237-L358 PolarHBondContact O-N 2.97Å
238R94.2Very high90.6Very high131 Ų13163 Ų6349%0.49429%0.293SS..EExtended strand (participates in β ladder)trans-143.2130.3178.8179.2175.2166.5123.4-5.5109.3E240 L355 I356 E357R238-E240 IonicContact CZ-OE1 2.6Å; R238-E240 IonicContact NE-OE1 3.5Å; R238-E240 IonicContact NH2-OE1 2.93Å; R238-E240 PolarHBondContact NH2-OE1 3.1Å; R238-L355 HydrophobicContact CG-CD1 3.85Å; R238-I356 CarbonylContact C-O 3.54Å; R238-I356 VanDerWaalsContact CA-O 3.26Å; R238-I356 WeakPolarHBondContact CA-O 3.14Å; R238-E357 HydrophobicContact CG-CB 4.29Å; R238-E357 IonicContact CZ-OE2 2.83Å; R238-E357 IonicContact NH1-OE2 3.69Å; R238-E357 PolarHBondContact NH1-OE2 3.39Å
239I94.5Very high90.5Very high13 Ų1360 Ų607%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-131.9126178.5-69.7178000109.2P236 A242 N295 V296 M317 L355 I356P236-I239 HydrophobicContact CB-CD1 4.22Å; P236-I239 HydrophobicContact CB-CG1 4Å; I239-A242 HydrophobicContact CG2-CB 3.96Å; I239-N295 HydrophobicContact CD1-CB 4.5Å; I239-N295 VanDerWaalsContact CD1-O 3.23Å; I239-N295 WeakPolarHBondContact CD1-O 3.35Å; I239-N295 HydrophobicContact CG2-CB 4.33Å; I239-N295 WeakPolarHBondContact CG2-ND2 3.44Å; I239-V296 HydrophobicContact CB-CG2 4.44Å; I239-V296 HydrophobicContact CD1-CG2 3.5Å; I239-V296 VanDerWaalsContact CD1-CG2 3.5Å; I239-V296 HydrophobicContact CG2-CG2 4.13Å; I239-M317 HydrophobicContact CD1-CB 3.36Å; I239-M317 HydrophobicContact CD1-CE 3.94Å; I239-M317 HydrophobicContact CD1-CG 4.37Å; I239-M317 HydrophobicContact CD1-SD 4.25Å; I239-M317 HydrophobicContact CG1-CE 4.06Å; I239-L355 WeakPolarHBondContact O-CA 3.36Å; I239-I356 PolarHBondContact N-O 3.4Å; I239-I356 PolarHBondContact O-N 2.88Å
240E94.3Very high90.4Very high125 Ų12557.4 Ų57.458%0.58427%0.265SS*.EExtended strand (participates in β ladder)trans-98142.5171.7-66.6178.5-178.300109.7R238 D354 L355R238-E240 IonicContact CZ-OE1 2.6Å; R238-E240 IonicContact NE-OE1 3.5Å; R238-E240 IonicContact NH2-OE1 2.93Å; R238-E240 PolarHBondContact NH2-OE1 3.1Å; E240-D354 CarbonylContact C-O 3.56Å; E240-D354 WeakPolarHBondContact CA-O 3.26Å; E240-L355 HydrophobicContact CG-CD1 3.9Å
241K93.4Very high90.3Very high143 Ų14351.9 Ų51.962%0.62224%0.239SC*.EExtended strand (participates in β ladder)trans51.261.3-176.5-58.8179.9-179.9177.60111.2R243 N295 Y352 D354K241-R243 PolarHBondContact O-N 3.45Å; K241-N295 PolarHBondContact O-ND2 2.94Å; K241-N295 VanDerWaalsContact O-ND2 3.08Å; K241-Y352 HydrophobicContact CB-CE2 4.24Å; K241-D354 PolarHBondContact N-O 3.06Å
242A94.5Very high89.8Confident0 Ų053.3 Ų53.30%025%0.246CC..EExtended strand (participates in β ladder)trans-64.9126.7-177.100000110.9I239 I244 N295 V296 Y352 C353 I356I239-A242 HydrophobicContact CG2-CB 3.96Å; A242-I244 HydrophobicContact CB-CD1 3.91Å; A242-I244 HydrophobicContact CB-CG1 3.74Å; A242-N295 VanDerWaalsContact CA-OD1 3.29Å; A242-N295 WeakPolarHBondContact CA-OD1 3.15Å; A242-V296 HydrophobicContact CB-CG2 4.04Å; A242-Y352 WeakPolarHBondContact O-CA 3.5Å; A242-Y352 VanDerWaalsContact O-CD2 3.27Å; A242-Y352 WeakPolarHBondContact O-CD2 3.25Å; A242-C353 PolarHBondContact N-O 3.42Å; A242-C353 PolarHBondContact O-N 3.45Å; A242-I356 HydrophobicContact CB-CD1 3.74Å; A242-I356 HydrophobicContact CB-CG1 4.02Å
243R94.7Very high89.1Confident97 Ų9755.8 Ų55.837%0.36626%0.259SS..EExtended strand (participates in β ladder)trans-106.5105.2167.1-65-169.8-59.8-82.18.6107K241 D293 I294 N295 V296K241-R243 PolarHBondContact O-N 3.45Å; R243-D293 IonicContact CZ-OD1 3.83Å; R243-D293 IonicContact CZ-OD2 3.89Å; R243-D293 PolarHBondContact NE-O 3.42Å; R243-D293 IonicContact NE-OD2 3.84Å; R243-D293 PolarHBondContact NH2-O 2.71Å; R243-D293 IonicContact NH2-OD1 2.82Å; R243-D293 PolarHBondContact NH2-OD1 3.42Å; R243-D293 IonicContact NH2-OD2 3.42Å; R243-D293 PolarHBondContact NH2-OD2 2.85Å; R243-I294 WeakPolarHBondContact O-CB 3.41Å; R243-N295 PolarHBondContact N-OD1 3.33Å; R243-N295 PolarHBondContact O-N 3.33Å; R243-N295 VanDerWaalsContact O-N 3.1Å; R243-N295 PolarHBondContact O-OD1 3.47Å; R243-N295 VanDerWaalsContact O-OD1 3.12Å; R243-V296 PolarHBondContact O-N 2.92Å
244I94.5Very high88.2Confident0 Ų053.8 Ų53.80%025%0.249CC..EExtended strand (participates in β ladder)trans-109.5125.7-162.3-50.8168.6000109.1A242 I246 V296 I298 L334 L350 G351 I356 F369A242-I244 HydrophobicContact CB-CD1 3.91Å; A242-I244 HydrophobicContact CB-CG1 3.74Å; I244-I246 HydrophobicContact CG2-CG1 4.12Å; I244-V296 WeakPolarHBondContact CA-O 3.38Å; I244-V296 HydrophobicContact CB-CB 4.33Å; I244-V296 HydrophobicContact CG1-CB 3.92Å; I244-V296 HydrophobicContact CG1-CG1 4.3Å; I244-V296 HydrophobicContact CG1-CG2 4.27Å; I244-V296 HydrophobicContact CG2-CB 4.18Å; I244-V296 HydrophobicContact CG2-CG1 3.98Å; I244-I298 HydrophobicContact CG2-CD1 3.67Å; I244-I298 HydrophobicContact CG2-CG1 3.78Å; I244-L334 HydrophobicContact CB-CD1 4.39Å; I244-L334 HydrophobicContact CD1-CD1 3.49Å; I244-L334 VanDerWaalsContact CD1-CD1 3.49Å; I244-L334 HydrophobicContact CD1-CD2 3.6Å; I244-L334 HydrophobicContact CD1-CG 4.03Å; I244-L334 HydrophobicContact CG2-CD1 4.03Å; I244-L350 CarbonylContact O-C 3.59Å; I244-L350 WeakPolarHBondContact O-CA 3.41Å; I244-G351 PolarHBondContact N-O 2.88Å; I244-G351 PolarHBondContact O-N 3.02Å; I244-I356 HydrophobicContact CD1-CD1 4.04Å; I244-I356 HydrophobicContact CG1-CD1 4.47Å; I244-F369 HydrophobicContact CD1-CD1 4.39Å; I244-F369 HydrophobicContact CD1-CE1 4.36Å
245L94.6Very high86.5Confident1 Ų151.6 Ų51.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-101.3123.2167.5-175.471.6000109.4I289 I294 V296 F297 I298 V339 F342 L350L245-I289 HydrophobicContact CD2-CG2 3.98Å; L245-I294 HydrophobicContact CB-CD1 3.79Å; L245-I294 HydrophobicContact CB-CG2 3.85Å; L245-I294 HydrophobicContact CD2-CD1 4.27Å; L245-V296 PolarHBondContact N-O 3.47Å; L245-F297 HydrophobicContact CB-CD2 4.26Å; L245-F297 HydrophobicContact CD2-CD2 4.16Å; L245-F297 HydrophobicContact CD2-CE2 4.2Å; L245-F297 HydrophobicContact CG-CD2 4.41Å; L245-I298 PolarHBondContact O-N 2.9Å; L245-V339 HydrophobicContact CD1-CG1 4.17Å; L245-V339 HydrophobicContact CD1-CG2 3.81Å; L245-V339 HydrophobicContact CD2-CG2 4.36Å; L245-V339 HydrophobicContact CG-CG2 4.07Å; L245-F342 HydrophobicContact CD2-CD1 3.94Å; L245-F342 HydrophobicContact CD2-CE1 3.99Å; L245-L350 HydrophobicContact CB-CD2 4.01Å; L245-L350 HydrophobicContact CD1-CD2 3.57Å; L245-L350 HydrophobicContact CG-CD2 4.4Å
246I93.6Very high84.8Confident2 Ų258.2 Ų58.21%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-104.6125.3179-54171.8000107.8I244 I298 I327 A331 L334 I338 V339I244-I246 HydrophobicContact CG2-CG1 4.12Å; I246-I298 CarbonylContact C-O 3.24Å; I246-I298 WeakPolarHBondContact CA-O 3.18Å; I246-I327 HydrophobicContact CG2-CG2 3.78Å; I246-A331 HydrophobicContact CD1-CB 4.03Å; I246-L334 HydrophobicContact CD1-CB 4.48Å; I246-L334 HydrophobicContact CD1-CD1 4Å; I246-I338 HydrophobicContact CG2-CG1 4.05Å; I246-I338 WeakPolarHBondContact O-CA 3.36Å; I246-V339 WeakPolarHBondContact O-CG2 3.31Å; I246-V339 PolarHBondContact O-N 2.98Å
247A92.2Very high83.1Confident0 Ų063.5 Ų63.50%030%0.297CS..EExtended strand (participates in β ladder)trans-132.4153.2-174.700000113F297 I298 N299 R300 V339 F342A247-F297 HydrophobicContact CB-CE2 3.69Å; A247-F297 HydrophobicContact CB-CZ 4.01Å; A247-I298 PolarHBondContact N-O 3.39Å; A247-N299 CarbonylContact O-C 3.51Å; A247-N299 WeakPolarHBondContact O-CA 3.32Å; A247-N299 PolarHBondContact O-OD1 2.71Å; A247-R300 PolarHBondContact O-N 3.36Å; A247-V339 CarbonylContact C-O 3.52Å; A247-V339 VanDerWaalsContact CA-O 3.25Å; A247-V339 WeakPolarHBondContact CA-O 3.41Å; A247-V339 HydrophobicContact CB-CG2 3.86Å; A247-F342 HydrophobicContact CB-CE1 3.7Å; A247-F342 HydrophobicContact CB-CZ 3.77Å
248N90.8Very high81.7Confident48 Ų4864.3 Ų64.326%0.25731%0.307SS..  trans-127.574.7167176.116.5000108.9R300 I338 V339N248-R300 HydrophobicContact CB-CB 4.04Å; N248-R300 PolarHBondContact ND2-NH1 3.33Å; N248-R300 WeakPolarHBondContact OD1-CD 3.4Å; N248-I338 HydrophobicContact CB-CG2 3.9Å; N248-V339 PolarHBondContact N-O 3.23Å
249T86.7Confident80Confident16 Ų1667.5 Ų67.510%0.09832%0.321CS..  trans-144.1139.5-177.2-48.40000111.5K285 N299 S340 F342T249-K285 VanDerWaalsContact CG2-NZ 3.31Å; T249-N299 PolarHBondContact N-OD1 2.98Å; T249-N299 PolarHBondContact O-ND2 3.49Å; T249-N299 PolarHBondContact O-OD1 2.96Å; T249-S340 VanDerWaalsContact OG1-C 3.25Å; T249-S340 VanDerWaalsContact OG1-CA 3.29Å; T249-S340 WeakPolarHBondContact OG1-CA 3.33Å; T249-S340 PolarHBondContact OG1-O 3Å; T249-S340 VanDerWaalsContact OG1-O 3.07Å; T249-F342 HydrophobicContact CG2-CE2 4.29Å
250A85.9Confident78.4Confident16 Ų1673.5 Ų73.513%0.13235%0.353CS..  trans-63.8139.5173.900000110.9D252 K285 Q301A250-D252 VanDerWaalsContact CB-OD1 3.26Å; A250-D252 WeakPolarHBondContact CB-OD1 3.37Å; A250-K285 VanDerWaalsContact O-CE 3.31Å; A250-K285 WeakPolarHBondContact O-CE 3.1Å; A250-K285 PolarHBondContact O-NZ 3.04Å; A250-Q301 VanDerWaalsContact N-CD 3.26Å
251M84.1Confident77.1Confident2 Ų269.9 Ų69.91%0.0135%0.345CS..SBendtrans-85.4-18-179-70.7-58.4-68.500114V286 I289 F297 Y304 P307 F311M251-V286 HydrophobicContact CE-CG2 3.87Å; M251-I289 HydrophobicContact CE-CD1 3.89Å; M251-I289 HydrophobicContact SD-CD1 4.14Å; M251-F297 HydrophobicContact SD-CE1 4.25Å; M251-F297 HydrophobicContact SD-CZ 4.34Å; M251-Y304 HydrophobicContact CB-CD2 4.04Å; M251-Y304 HydrophobicContact CB-CE2 4.38Å; M251-P307 HydrophobicContact CB-CG 4.44Å; M251-P307 HydrophobicContact CE-CB 3.92Å; M251-P307 HydrophobicContact CE-CG 4.22Å; M251-F311 HydrophobicContact CE-CE2 4.29Å; M251-F311 HydrophobicContact CE-CZ 4.42Å
252D75.4Confident75.8Confident45 Ų4573.4 Ų73.424%0.24135%0.354CS..SBendtrans-87.9-48.7-177.649.4-0.3000113.6A250 M282 Y304A250-D252 VanDerWaalsContact CB-OD1 3.26Å; A250-D252 WeakPolarHBondContact CB-OD1 3.37Å; D252-M282 HydrophobicContact CB-CE 3.7Å; D252-Y304 HydrophobicContact CB-CD2 4.43Å; D252-Y304 HydrophobicContact CB-CE2 3.6Å; D252-Y304 PolarHBondContact OD2-OH 3.34Å
253V66.9Low74.7Confident61 Ų6182 Ų8237%0.3739%0.392SS..  trans-137134.9-170.6-67.80000112.8
254D63Low73.7Confident87 Ų8787.3 Ų87.347%0.46542%0.418SS..SBendtrans-90.5-18176.9-54.5-62.5000113.2R281 K285D254-R281 IonicContact OD2-CZ 2.8Å; D254-R281 IonicContact OD2-NE 2.75Å; D254-R281 IonicContact OD2-NH2 3.07Å; D254-R281 PolarHBondContact OD2-NH2 3.4Å; D254-K285 IonicContact OD1-NZ 3.38Å; D254-K285 PolarHBondContact OD1-NZ 3.29Å
255K53Low72.9Confident170 Ų17089.9 Ų89.974%0.73943%0.433SS*.SBendtrans-145.4137.7-168-67.5-171.5178.7-1780112.7
256I54.3Low72.2Confident147 Ų14794 Ų9475%0.75448%0.476SS*.  trans32.6100163.9-48.7171.1000114.5V258I256-V258 VanDerWaalsContact C-N 3.32Å; I256-V258 HydrophobicContact CG2-CG2 3.91Å; I256-V258 PolarHBondContact O-N 3.39Å
257K54.8Low71.6Confident146 Ų14696 Ų9664%0.63549%0.493SS*.  trans-64.198155.6-69-174.4180-176.90107.1Y259K257-Y259 VanDerWaalsContact C-N 3.27Å; K257-Y259 PolarHBondContact O-N 3.46Å
258V59.9Low71.2Confident100 Ų100102.1 Ų102.161%0.60653%0.53SS*.  trans-71.296.3164.6-175.40000105.2I256 D260 A261I256-V258 VanDerWaalsContact C-N 3.32Å; I256-V258 HydrophobicContact CG2-CG2 3.91Å; I256-V258 PolarHBondContact O-N 3.39Å; V258-D260 PolarHBondContact O-N 2.96Å; V258-A261 HydrophobicContact CB-CB 3.91Å; V258-A261 HydrophobicContact CG1-CB 3.89Å; V258-A261 PolarHBondContact O-N 3.21Å
259Y60.3Low70.8Confident198 Ų198103.4 Ų103.478%0.77654%0.542SS*.THydrogen-bonded Turntrans-52.9132175.7-72.8-82.7000108.7K257 A261K257-Y259 VanDerWaalsContact C-N 3.27Å; K257-Y259 PolarHBondContact O-N 3.46Å; Y259-A261 PolarHBondContact O-N 3.44Å
260D59.4Low70.6Confident139 Ų139108.3 Ų108.374%0.74356%0.562SS**THydrogen-bonded Turntrans66.315.8-178.4-64.7-48.6000118.3V258 R262V258-D260 PolarHBondContact O-N 2.96Å; D260-R262 PolarHBondContact O-N 3.47Å
261A66.8Low70.2Confident50 Ų50111.6 Ų111.641%0.41358%0.577SS.*  trans-69.198167.600000111.1V258 Y259 F263V258-A261 HydrophobicContact CB-CB 3.91Å; V258-A261 HydrophobicContact CG1-CB 3.89Å; V258-A261 PolarHBondContact O-N 3.21Å; Y259-A261 PolarHBondContact O-N 3.44Å; A261-F263 HydrophobicContact CB-CE2 4.32Å
262R66.9Low70.1Confident217 Ų217113.7 Ų113.782%0.81960%0.595SS**  trans-95.8116.8174.1-62.5-177-172.1-178.63.1110.3D260D260-R262 PolarHBondContact O-N 3.47Å
263F70.2Confident70.5Confident180 Ų180117.3 Ų117.379%0.78961%0.61SS**  trans-87.5115.5172.8-61.1-83.7000109.7A261 V265A261-F263 HydrophobicContact CB-CE2 4.32Å; F263-V265 PolarHBondContact O-N 2.92Å
264K74.2Confident71.2Confident209 Ų209118.4 Ų118.491%0.90961%0.614SS**  trans-83.9109.3169.1-77.4-174.9179.4178.50108.9
265V77.9Confident72.1Confident54 Ų54119.1 Ų119.133%0.32761%0.614SS.*  trans-92.3121177.5-167.70000109F263 A267 K270 L274F263-V265 PolarHBondContact O-N 2.92Å; V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 VanDerWaalsContact CG1-O 3.29Å; V265-A267 WeakPolarHBondContact CG1-O 3.37Å; V265-A267 PolarHBondContact O-N 3.48Å; V265-K270 HydrophobicContact CG1-CB 3.29Å; V265-K270 HydrophobicContact CG1-CD 4.39Å; V265-K270 HydrophobicContact CG1-CG 4.44Å; V265-L274 HydrophobicContact CG2-CD1 3.85Å
266G80.6Confident73.7Confident87 Ų87116.5 Ų116.590%0.89761%0.608SS**SBendtrans-78.6-7.4-175.900000115.6
267A81Confident75.2Confident45 Ų45112 Ų11237%0.37259%0.593SS.*SBendtrans-151.1144.4-177.900000111.1V265 S269 K270V265-A267 VanDerWaalsContact C-N 3.32Å; V265-A267 VanDerWaalsContact CG1-O 3.29Å; V265-A267 WeakPolarHBondContact CG1-O 3.37Å; V265-A267 PolarHBondContact O-N 3.48Å; A267-S269 VanDerWaalsContact C-N 3.26Å; A267-S269 PolarHBondContact O-N 3.18Å; A267-K270 PolarHBondContact O-N 3.41Å
268V82.5Confident76.5Confident128 Ų128111.4 Ų111.478%0.77659%0.592SS**Hα-helixtrans-61.3-33.4-179.7-179.40000112.1K270 L271 A272V268-K270 VanDerWaalsContact C-N 3.31Å; V268-K270 PolarHBondContact O-N 3.4Å; V268-L271 WeakPolarHBondContact O-CB 3.48Å; V268-L271 PolarHBondContact O-N 3.13Å; V268-L271 VanDerWaalsContact O-N 3.09Å; V268-A272 PolarHBondContact O-N 2.89Å
269S83.7Confident77.8Confident74 Ų74111.4 Ų111.452%0.51758%0.584SS.*Hα-helixtrans-59.9-39.4177.956.30000113.1A267 L271 A272 E273A267-S269 VanDerWaalsContact C-N 3.26Å; A267-S269 PolarHBondContact O-N 3.18Å; S269-L271 VanDerWaalsContact C-N 3.25Å; S269-L271 PolarHBondContact O-N 3.07Å; S269-A272 PolarHBondContact O-N 2.92Å; S269-E273 PolarHBondContact O-N 3.43Å
270K81.5Confident79.2Confident119 Ų119107.8 Ų107.852%0.51757%0.574SS.*Hα-helixtrans-68.2-26.5177.7-73.3-170.9176.6-170.70112.5V265 A267 V268 L274V265-K270 HydrophobicContact CG1-CB 3.29Å; V265-K270 HydrophobicContact CG1-CD 4.39Å; V265-K270 HydrophobicContact CG1-CG 4.44Å; A267-K270 PolarHBondContact O-N 3.41Å; V268-K270 VanDerWaalsContact C-N 3.31Å; V268-K270 PolarHBondContact O-N 3.4Å; K270-L274 VanDerWaalsContact O-CG 3.31Å; K270-L274 WeakPolarHBondContact O-CG 3.49Å; K270-L274 PolarHBondContact O-N 2.81Å; K270-L274 VanDerWaalsContact O-N 3.11Å
271L78.7Confident80.5Confident85 Ų85106.8 Ų106.845%0.44556%0.56SS.*Hα-helixtrans-67.9-43.8173.8-170.869.2000110.3V268 S269 E273 L274 E275V268-L271 WeakPolarHBondContact O-CB 3.48Å; V268-L271 PolarHBondContact O-N 3.13Å; V268-L271 VanDerWaalsContact O-N 3.09Å; S269-L271 VanDerWaalsContact C-N 3.25Å; S269-L271 PolarHBondContact O-N 3.07Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 3.46Å; L271-L274 WeakPolarHBondContact O-CB 3.45Å; L271-L274 PolarHBondContact O-N 3.02Å; L271-E275 PolarHBondContact O-N 3.17Å
272A80.9Confident81.6Confident46 Ų46105.8 Ų105.838%0.3855%0.547SS..Hα-helixtrans-63.5-38.2175.400000112.5V268 S269 L274 E275 L276V268-A272 PolarHBondContact O-N 2.89Å; S269-A272 PolarHBondContact O-N 2.92Å; A272-L274 VanDerWaalsContact C-N 3.33Å; A272-L274 PolarHBondContact O-N 3.27Å; A272-E275 PolarHBondContact O-N 2.85Å; A272-L276 WeakPolarHBondContact O-CB 3.3Å; A272-L276 VanDerWaalsContact O-CG 3.3Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.42Å
273E84.6Confident82.8Confident121 Ų12199.9 Ų99.957%0.56553%0.527SS*.Hα-helixtrans-60.9-40.7173.2-71.7170.1-167.700112.1S269 L271 L276 A277S269-E273 PolarHBondContact O-N 3.43Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 3.46Å; E273-L276 PolarHBondContact O-N 3.34Å; E273-A277 WeakPolarHBondContact O-CB 3.44Å; E273-A277 PolarHBondContact O-N 2.88Å
274L81.4Confident83.8Confident84 Ų8495.1 Ų95.144%0.4451%0.51SS..Hα-helixtrans-65.1-46.1175.9-71.9168.8000111.7V265 K270 L271 A272 L276 A277 E278V265-L274 HydrophobicContact CG2-CD1 3.85Å; K270-L274 VanDerWaalsContact O-CG 3.31Å; K270-L274 WeakPolarHBondContact O-CG 3.49Å; K270-L274 PolarHBondContact O-N 2.81Å; K270-L274 VanDerWaalsContact O-N 3.11Å; L271-L274 WeakPolarHBondContact O-CB 3.45Å; L271-L274 PolarHBondContact O-N 3.02Å; A272-L274 VanDerWaalsContact C-N 3.33Å; A272-L274 PolarHBondContact O-N 3.27Å; L274-L276 VanDerWaalsContact C-N 3.31Å; L274-L276 PolarHBondContact O-N 2.88Å; L274-A277 PolarHBondContact O-N 2.86Å; L274-E278 WeakPolarHBondContact O-CG 3.4Å; L274-E278 PolarHBondContact O-N 3.34Å
275E82.2Confident84.6Confident103 Ų10385.8 Ų85.848%0.48147%0.47SS..Hα-helixtrans-60.8-39.7176.9-71.8-177.7178.200112.3L271 A272 E278 K279L271-E275 PolarHBondContact O-N 3.17Å; A272-E275 PolarHBondContact O-N 2.85Å; E275-E278 PolarHBondContact O-N 3.03Å; E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.44Å
276L86.8Confident85.3Confident114 Ų11483.2 Ų83.260%0.59745%0.454SS*.Hα-helixtrans-65.6-43175.6-74.5171.8000111.5A272 E273 L274 E278 K279 E280A272-L276 WeakPolarHBondContact O-CB 3.3Å; A272-L276 VanDerWaalsContact O-CG 3.3Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.42Å; E273-L276 PolarHBondContact O-N 3.34Å; L274-L276 VanDerWaalsContact C-N 3.31Å; L274-L276 PolarHBondContact O-N 2.88Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-E278 PolarHBondContact O-N 3.19Å; L276-K279 PolarHBondContact O-N 3.34Å; L276-E280 WeakPolarHBondContact O-CB 3.11Å; L276-E280 PolarHBondContact O-N 2.97Å
277A84.7Confident85.9Confident54 Ų5482.6 Ų82.645%0.44643%0.43SS..Hα-helixtrans-63.5-38.7177.200000112.2E273 L274 E280 R281E273-A277 WeakPolarHBondContact O-CB 3.44Å; E273-A277 PolarHBondContact O-N 2.88Å; L274-A277 PolarHBondContact O-N 2.86Å; A277-E280 PolarHBondContact O-N 3.34Å; A277-R281 WeakPolarHBondContact O-CB 3.48Å; A277-R281 PolarHBondContact O-N 3.27Å
278E82.6Confident86.4Confident132 Ų13285 Ų8562%0.61743%0.432SS*.Hα-helixtrans-64.6-45.5174.4-75-178.5175.300111.9L274 E275 L276 E280 R281 M282L274-E278 WeakPolarHBondContact O-CG 3.4Å; L274-E278 PolarHBondContact O-N 3.34Å; E275-E278 PolarHBondContact O-N 3.03Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-E278 PolarHBondContact O-N 3.19Å; E278-E280 PolarHBondContact O-N 2.83Å; E278-R281 WeakPolarHBondContact O-CB 3.19Å; E278-R281 PolarHBondContact O-N 2.72Å; E278-M282 PolarHBondContact O-N 2.94Å
279K87.1Confident86.9Confident100 Ų10078.9 Ų78.944%0.43540%0.395SS..Hα-helixtrans-61-45174.6-76177.1-180172.20111.8E275 L276 R281 M282 K283 Y306E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.44Å; L276-K279 PolarHBondContact O-N 3.34Å; K279-R281 VanDerWaalsContact C-N 3.29Å; K279-R281 PolarHBondContact O-N 2.7Å; K279-M282 PolarHBondContact O-N 2.82Å; K279-K283 WeakPolarHBondContact O-CB 3.38Å; K279-K283 PolarHBondContact O-N 3.3Å; K279-Y306 HydrophobicContact CB-CD1 4.42Å; K279-Y306 HydrophobicContact CB-CE1 3.97Å; K279-Y306 HydrophobicContact CG-CD1 4.35Å; K279-Y306 HydrophobicContact CG-CE1 4.32Å; K279-Y306 WeakPolarHBondContact O-CE1 3.28Å
280E89.9Confident87.4Confident122 Ų12277.6 Ų77.657%0.5738%0.382SS*.Hα-helixtrans-62.3-38.8178.1-168.1178.8179.300111.5L276 A277 E278 K283 N284L276-E280 WeakPolarHBondContact O-CB 3.11Å; L276-E280 PolarHBondContact O-N 2.97Å; A277-E280 PolarHBondContact O-N 3.34Å; E278-E280 PolarHBondContact O-N 2.83Å; E280-K283 PolarHBondContact O-N 3.09Å; E280-N284 WeakPolarHBondContact O-CB 3.11Å; E280-N284 VanDerWaalsContact O-CG 3.23Å; E280-N284 PolarHBondContact O-N 2.88Å; E280-N284 PolarHBondContact O-ND2 3.45Å
281R86.9Confident87.9Confident118 Ų11875.1 Ų75.145%0.44538%0.384SS..Hα-helixtrans-61.7-48.3174.2-172.1-177.7-177.1134.85.1112.2D254 A277 E278 K279 K283 N284 K285D254-R281 IonicContact OD2-CZ 2.8Å; D254-R281 IonicContact OD2-NE 2.75Å; D254-R281 IonicContact OD2-NH2 3.07Å; D254-R281 PolarHBondContact OD2-NH2 3.4Å; A277-R281 WeakPolarHBondContact O-CB 3.48Å; A277-R281 PolarHBondContact O-N 3.27Å; E278-R281 WeakPolarHBondContact O-CB 3.19Å; E278-R281 PolarHBondContact O-N 2.72Å; K279-R281 VanDerWaalsContact C-N 3.29Å; K279-R281 PolarHBondContact O-N 2.7Å; R281-K283 VanDerWaalsContact C-N 3.32Å; R281-K283 PolarHBondContact O-N 3.18Å; R281-N284 PolarHBondContact O-N 3.15Å; R281-K285 PolarHBondContact O-N 2.75Å
282M89Confident88.5Confident30 Ų3071.8 Ų71.815%0.14837%0.366CS..Hα-helixtrans-58.8-44.6175.1-74.5-173.8163.300111.3D252 E278 K279 N284 K285 V286 Y304 Y306 P307D252-M282 HydrophobicContact CB-CE 3.7Å; E278-M282 PolarHBondContact O-N 2.94Å; K279-M282 PolarHBondContact O-N 2.82Å; M282-N284 PolarHBondContact O-N 3.45Å; M282-K285 WeakPolarHBondContact O-CB 3.25Å; M282-K285 PolarHBondContact O-N 2.85Å; M282-V286 WeakPolarHBondContact O-CG2 3.35Å; M282-V286 PolarHBondContact O-N 3.05Å; M282-Y304 HydrophobicContact CE-CD2 3.56Å; M282-Y304 HydrophobicContact CE-CE2 4Å; M282-Y304 HydrophobicContact CE-CG 4.14Å; M282-Y306 HydrophobicContact CB-CD1 4.13Å; M282-Y306 HydrophobicContact CB-CE1 4.43Å; M282-Y306 HydrophobicContact SD-CD1 4.4Å; M282-P307 HydrophobicContact CB-CG 4.41Å; M282-P307 HydrophobicContact SD-CG 4.15Å
283K91.7Very high89Confident92 Ų9274.7 Ų74.740%0.438%0.375SS..Hα-helixtrans-61.4-45177.8-173.8178.8-176.9179.40112.1K279 E280 R281 K285 V286 N287 Y306 L310K279-K283 WeakPolarHBondContact O-CB 3.38Å; K279-K283 PolarHBondContact O-N 3.3Å; E280-K283 PolarHBondContact O-N 3.09Å; R281-K283 VanDerWaalsContact C-N 3.32Å; R281-K283 PolarHBondContact O-N 3.18Å; K283-K285 VanDerWaalsContact C-N 3.25Å; K283-K285 PolarHBondContact O-N 3.27Å; K283-V286 PolarHBondContact O-N 3.14Å; K283-N287 VanDerWaalsContact O-CG 3.24Å; K283-N287 PolarHBondContact O-N 3.38Å; K283-N287 PolarHBondContact O-ND2 3.25Å; K283-Y306 HydrophobicContact CB-CE1 4.19Å; K283-L310 HydrophobicContact CB-CD1 3.98Å; K283-L310 HydrophobicContact CG-CD1 3.95Å; K283-L310 HydrophobicContact CG-CD2 4.48Å
284N91.8Very high89.4Confident81 Ų8169.5 Ų69.543%0.43335%0.351SS..Hα-helixtrans-60.6-37.4176-74.5-27.1000111.8E280 R281 M282 N287 K288E280-N284 WeakPolarHBondContact O-CB 3.11Å; E280-N284 VanDerWaalsContact O-CG 3.23Å; E280-N284 PolarHBondContact O-N 2.88Å; E280-N284 PolarHBondContact O-ND2 3.45Å; R281-N284 PolarHBondContact O-N 3.15Å; M282-N284 PolarHBondContact O-N 3.45Å; N284-N287 PolarHBondContact O-N 2.76Å; N284-K288 WeakPolarHBondContact O-CG 3.3Å; N284-K288 PolarHBondContact O-N 2.88Å
285K91Very high90.1Very high13 Ų1366.8 Ų66.86%0.05734%0.337CS..Hα-helixtrans-66.9-44.3175.6-168.6166-176157.20112.3T249 A250 D254 R281 M282 K283 N287 K288 I289 F342T249-K285 VanDerWaalsContact CG2-NZ 3.31Å; A250-K285 VanDerWaalsContact O-CE 3.31Å; A250-K285 WeakPolarHBondContact O-CE 3.1Å; A250-K285 PolarHBondContact O-NZ 3.04Å; D254-K285 IonicContact OD1-NZ 3.38Å; D254-K285 PolarHBondContact OD1-NZ 3.29Å; R281-K285 PolarHBondContact O-N 2.75Å; M282-K285 WeakPolarHBondContact O-CB 3.25Å; M282-K285 PolarHBondContact O-N 2.85Å; K283-K285 VanDerWaalsContact C-N 3.25Å; K283-K285 PolarHBondContact O-N 3.27Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.2Å; K285-K288 WeakPolarHBondContact O-CB 3.46Å; K285-K288 PolarHBondContact O-N 3.47Å; K285-I289 WeakPolarHBondContact O-CG1 3.47Å; K285-I289 PolarHBondContact O-N 3Å; K285-I289 VanDerWaalsContact O-N 3.08Å; K285-F342 VanDerWaalsContact CE-CE2 3.48Å; K285-F342 HydrophobicContact CG-CD2 4.04Å; K285-F342 HydrophobicContact CG-CE2 4.24Å
286V92.9Very high90.7Very high0 Ų061.9 Ų61.90%031%0.314CS..Hα-helixtrans-61-43.4173.2174.90000111M251 M282 K283 K288 I289 L290 P307 L310 F311M251-V286 HydrophobicContact CE-CG2 3.87Å; M282-V286 WeakPolarHBondContact O-CG2 3.35Å; M282-V286 PolarHBondContact O-N 3.05Å; K283-V286 PolarHBondContact O-N 3.14Å; V286-K288 VanDerWaalsContact C-N 3.29Å; V286-K288 PolarHBondContact O-N 3Å; V286-I289 WeakPolarHBondContact O-CA 3.41Å; V286-I289 WeakPolarHBondContact O-CB 3.34Å; V286-I289 PolarHBondContact O-N 2.72Å; V286-L290 HydrophobicContact CG1-CD1 3.95Å; V286-L290 HydrophobicContact CG1-CG 4.14Å; V286-L290 WeakPolarHBondContact O-CG 3.42Å; V286-L290 PolarHBondContact O-N 2.91Å; V286-P307 HydrophobicContact CG2-CB 3.89Å; V286-P307 HydrophobicContact CG2-CG 4.47Å; V286-L310 HydrophobicContact CB-CB 4.46Å; V286-L310 HydrophobicContact CB-CD1 4.13Å; V286-L310 HydrophobicContact CG1-CB 3.85Å; V286-L310 HydrophobicContact CG1-CD1 4.38Å; V286-L310 HydrophobicContact CG2-CD1 4.09Å; V286-F311 HydrophobicContact CG1-CD1 4.06Å; V286-F311 HydrophobicContact CG1-CE1 3.78Å; V286-F311 HydrophobicContact CG1-CZ 4.08Å; V286-F311 HydrophobicContact CG2-CE2 4.29Å; V286-F311 HydrophobicContact CG2-CZ 4.17Å
287N93.6Very high91.1Very high74 Ų7456.4 Ų56.440%0.39629%0.286SS..Hα-helixtrans-60-38.4176-70-22.3000112.4K283 N284 K285 I289 L290 A291K283-N287 VanDerWaalsContact O-CG 3.24Å; K283-N287 PolarHBondContact O-N 3.38Å; K283-N287 PolarHBondContact O-ND2 3.25Å; N284-N287 PolarHBondContact O-N 2.76Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.2Å; N287-I289 VanDerWaalsContact C-N 3.33Å; N287-L290 PolarHBondContact O-N 3.06Å; N287-A291 PolarHBondContact O-N 3.36Å
288K91.8Very high91.5Very high94 Ų9453.9 Ų53.941%0.40927%0.265SS..Hα-helixtrans-62.8-39.7173.1-72.3176.5-179.4-169.40111.9N284 K285 V286 A291 H292 F342 D343N284-K288 WeakPolarHBondContact O-CG 3.3Å; N284-K288 PolarHBondContact O-N 2.88Å; K285-K288 WeakPolarHBondContact O-CB 3.46Å; K285-K288 PolarHBondContact O-N 3.47Å; V286-K288 VanDerWaalsContact C-N 3.29Å; V286-K288 PolarHBondContact O-N 3Å; K288-A291 WeakPolarHBondContact O-CB 3.44Å; K288-A291 PolarHBondContact O-N 2.7Å; K288-H292 PolarHBondContact O-CD2 3.19Å; K288-F342 HydrophobicContact CB-CB 3.91Å; K288-D343 WeakPolarHBondContact CE-OD1 3.43Å; K288-D343 IonicContact NZ-OD1 2.91Å; K288-D343 PolarHBondContact NZ-OD1 3.13Å
289I92.9Very high92Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-64.8-47.7175.5-67.4164.5000110.5L245 M251 K285 V286 N287 A291 H292 I294 F297 F311 F342L245-I289 HydrophobicContact CD2-CG2 3.98Å; M251-I289 HydrophobicContact CE-CD1 3.89Å; M251-I289 HydrophobicContact SD-CD1 4.14Å; K285-I289 WeakPolarHBondContact O-CG1 3.47Å; K285-I289 PolarHBondContact O-N 3Å; K285-I289 VanDerWaalsContact O-N 3.08Å; V286-I289 WeakPolarHBondContact O-CA 3.41Å; V286-I289 WeakPolarHBondContact O-CB 3.34Å; V286-I289 PolarHBondContact O-N 2.72Å; N287-I289 VanDerWaalsContact C-N 3.33Å; I289-A291 PolarHBondContact O-N 2.61Å; I289-H292 WeakPolarHBondContact O-CB 3.27Å; I289-H292 PolarHBondContact O-CD2 2.96Å; I289-H292 PolarHBondContact O-N 2.7Å; I289-H292 VanDerWaalsContact O-N 3.07Å; I289-I294 HydrophobicContact CG2-CD1 3.49Å; I289-I294 VanDerWaalsContact CG2-CD1 3.49Å; I289-F297 HydrophobicContact CD1-CE1 4.14Å; I289-F297 HydrophobicContact CD1-CE2 4.02Å; I289-F297 HydrophobicContact CD1-CZ 3.74Å; I289-F297 HydrophobicContact CG1-CE2 4.42Å; I289-F297 HydrophobicContact CG2-CD2 3.81Å; I289-F297 HydrophobicContact CG2-CE2 4.11Å; I289-F297 HydrophobicContact CG2-CG 4.18Å; I289-F311 HydrophobicContact CB-CE1 4.41Å; I289-F311 HydrophobicContact CD1-CZ 3.95Å; I289-F311 HydrophobicContact CG2-CE1 3.84Å; I289-F311 HydrophobicContact CG2-CZ 4.11Å; I289-F342 HydrophobicContact CD1-CD1 4.46Å; I289-F342 HydrophobicContact CD1-CD2 3.99Å; I289-F342 HydrophobicContact CD1-CE1 4.21Å; I289-F342 HydrophobicContact CD1-CE2 3.72Å; I289-F342 HydrophobicContact CD1-CG 4.35Å; I289-F342 HydrophobicContact CD1-CZ 3.84Å; I289-F342 HydrophobicContact CG1-CB 4.19Å; I289-F342 HydrophobicContact CG1-CD1 3.63Å; I289-F342 HydrophobicContact CG1-CD2 3.64Å; I289-F342 HydrophobicContact CG1-CE1 3.82Å; I289-F342 HydrophobicContact CG1-CE2 3.83Å; I289-F342 HydrophobicContact CG1-CG 3.53Å; I289-F342 HydrophobicContact CG1-CZ 3.92Å
290L92.6Very high92.2Very high48 Ų4846.7 Ų46.725%0.25123%0.229SC..Hα-helixtrans-62.6-27.8178.7-65.9176.4000112.7V286 N287 H292 D293 F311 A314 V316V286-L290 HydrophobicContact CG1-CD1 3.95Å; V286-L290 HydrophobicContact CG1-CG 4.14Å; V286-L290 WeakPolarHBondContact O-CG 3.42Å; V286-L290 PolarHBondContact O-N 2.91Å; N287-L290 PolarHBondContact O-N 3.06Å; L290-H292 PolarHBondContact O-N 3.48Å; L290-H292 VanDerWaalsContact O-N 3.11Å; L290-D293 PolarHBondContact O-N 3.1Å; L290-F311 HydrophobicContact CD2-CD1 4.17Å; L290-F311 HydrophobicContact CD2-CE1 4.34Å; L290-A314 HydrophobicContact CD1-CB 3.74Å; L290-A314 HydrophobicContact CD2-CB 3.73Å; L290-A314 HydrophobicContact CG-CB 4.41Å; L290-V316 HydrophobicContact CD2-CB 4.44Å; L290-V316 HydrophobicContact CD2-CG2 3.6Å
291A92.7Very high92.1Very high67 Ų6744.5 Ų44.555%0.55422%0.219SC*.THydrogen-bonded Turntrans-64.3-10.517500000114.1N287 K288 I289 P345N287-A291 PolarHBondContact O-N 3.36Å; K288-A291 WeakPolarHBondContact O-CB 3.44Å; K288-A291 PolarHBondContact O-N 2.7Å; I289-A291 PolarHBondContact O-N 2.61Å; A291-P345 HydrophobicContact CB-CG 4.44Å
292H90.6Very high92.1Very high15 Ų1543.4 Ų43.47%0.06922%0.222CC..THydrogen-bonded Turntrans-79.1-3.3171.5-66.8-115.1000113.4K288 I289 L290 I294 F342 P345 S348K288-H292 PolarHBondContact O-CD2 3.19Å; I289-H292 WeakPolarHBondContact O-CB 3.27Å; I289-H292 PolarHBondContact O-CD2 2.96Å; I289-H292 PolarHBondContact O-N 2.7Å; I289-H292 VanDerWaalsContact O-N 3.07Å; L290-H292 PolarHBondContact O-N 3.48Å; L290-H292 VanDerWaalsContact O-N 3.11Å; H292-I294 HydrophobicContact CB-CG2 3.73Å; H292-F342 PolarHBondContact NE2-O 2.98Å; H292-F342 VanDerWaalsContact NE2-O 3.1Å; H292-P345 WeakPolarHBondContact CE1-CA 3.02Å; H292-S348 PolarHBondContact CE1-OG 3.19Å; H292-S348 PolarHBondContact ND1-OG 3Å; H292-S348 VanDerWaalsContact ND1-OG 3.11Å
293D91.6Very high92.1Very high107 Ų10742.3 Ų42.357%0.57222%0.216SC*.  trans55.755.6-176-176.827000112.2R243 L290R243-D293 IonicContact CZ-OD1 3.83Å; R243-D293 IonicContact CZ-OD2 3.89Å; R243-D293 PolarHBondContact NE-O 3.42Å; R243-D293 IonicContact NE-OD2 3.84Å; R243-D293 PolarHBondContact NH2-O 2.71Å; R243-D293 IonicContact NH2-OD1 2.82Å; R243-D293 PolarHBondContact NH2-OD1 3.42Å; R243-D293 IonicContact NH2-OD2 3.42Å; R243-D293 PolarHBondContact NH2-OD2 2.85Å; L290-D293 PolarHBondContact O-N 3.1Å
294I93.6Very high92Very high11 Ų1142.3 Ų42.36%0.05621%0.214CC..  trans-104.2155.2-178.263.4168.3000110.5R243 L245 I289 H292 F297 L350R243-I294 WeakPolarHBondContact O-CB 3.41Å; L245-I294 HydrophobicContact CB-CD1 3.79Å; L245-I294 HydrophobicContact CB-CG2 3.85Å; L245-I294 HydrophobicContact CD2-CD1 4.27Å; I289-I294 HydrophobicContact CG2-CD1 3.49Å; I289-I294 VanDerWaalsContact CG2-CD1 3.49Å; H292-I294 HydrophobicContact CB-CG2 3.73Å; I294-F297 HydrophobicContact CD1-CB 3.9Å; I294-F297 HydrophobicContact CD1-CD2 4.27Å; I294-F297 HydrophobicContact CD1-CG 4.48Å; I294-L350 HydrophobicContact CG2-CD1 3.97Å; I294-L350 HydrophobicContact CG2-CD2 3.82Å
295N95.3Very high91.8Very high27 Ų2744.8 Ų44.814%0.14423%0.227CC..SBendtrans-113.3-12.5168.957.816.9000112.5I239 K241 A242 R243 V316 M317I239-N295 HydrophobicContact CD1-CB 4.5Å; I239-N295 VanDerWaalsContact CD1-O 3.23Å; I239-N295 WeakPolarHBondContact CD1-O 3.35Å; I239-N295 HydrophobicContact CG2-CB 4.33Å; I239-N295 WeakPolarHBondContact CG2-ND2 3.44Å; K241-N295 PolarHBondContact O-ND2 2.94Å; K241-N295 VanDerWaalsContact O-ND2 3.08Å; A242-N295 VanDerWaalsContact CA-OD1 3.29Å; A242-N295 WeakPolarHBondContact CA-OD1 3.15Å; R243-N295 PolarHBondContact N-OD1 3.33Å; R243-N295 PolarHBondContact O-N 3.33Å; R243-N295 VanDerWaalsContact O-N 3.1Å; R243-N295 PolarHBondContact O-OD1 3.47Å; R243-N295 VanDerWaalsContact O-OD1 3.12Å; N295-V316 WeakPolarHBondContact O-CA 3.43Å; N295-M317 PolarHBondContact O-N 2.93Å
296V95.6Very high91.8Very high0 Ų047.3 Ų47.30%024%0.237CC..EExtended strand (participates in β ladder)trans-133.9133.1176.3-177.40000109.2I239 A242 R243 I244 L245 I298 M317 I319 I356I239-V296 HydrophobicContact CB-CG2 4.44Å; I239-V296 HydrophobicContact CD1-CG2 3.5Å; I239-V296 VanDerWaalsContact CD1-CG2 3.5Å; I239-V296 HydrophobicContact CG2-CG2 4.13Å; A242-V296 HydrophobicContact CB-CG2 4.04Å; R243-V296 PolarHBondContact O-N 2.92Å; I244-V296 WeakPolarHBondContact CA-O 3.38Å; I244-V296 HydrophobicContact CB-CB 4.33Å; I244-V296 HydrophobicContact CG1-CB 3.92Å; I244-V296 HydrophobicContact CG1-CG1 4.3Å; I244-V296 HydrophobicContact CG1-CG2 4.27Å; I244-V296 HydrophobicContact CG2-CB 4.18Å; I244-V296 HydrophobicContact CG2-CG1 3.98Å; L245-V296 PolarHBondContact N-O 3.47Å; V296-I298 HydrophobicContact CG1-CD1 4.49Å; V296-I298 HydrophobicContact CG1-CG1 4.03Å; V296-M317 CarbonylContact C-O 3.02Å; V296-M317 VanDerWaalsContact CA-O 3.3Å; V296-M317 WeakPolarHBondContact CA-O 3.46Å; V296-M317 HydrophobicContact CG1-SD 4.46Å; V296-M317 HydrophobicContact CG2-CB 4.33Å; V296-I319 HydrophobicContact CG1-CD1 4.09Å; V296-I356 HydrophobicContact CB-CD1 4.4Å; V296-I356 HydrophobicContact CG1-CD1 4.1Å; V296-I356 HydrophobicContact CG2-CD1 3.6Å
297F94.7Very high91.7Very high0 Ų047.3 Ų47.30%024%0.237CC..EExtended strand (participates in β ladder)trans-119.6123.4173.3178.9-120.1000109.4L245 A247 M251 I289 I294 N299 I303 F311 V316 M317 A318 I319 F342L245-F297 HydrophobicContact CB-CD2 4.26Å; L245-F297 HydrophobicContact CD2-CD2 4.16Å; L245-F297 HydrophobicContact CD2-CE2 4.2Å; L245-F297 HydrophobicContact CG-CD2 4.41Å; A247-F297 HydrophobicContact CB-CE2 3.69Å; A247-F297 HydrophobicContact CB-CZ 4.01Å; M251-F297 HydrophobicContact SD-CE1 4.25Å; M251-F297 HydrophobicContact SD-CZ 4.34Å; I289-F297 HydrophobicContact CD1-CE1 4.14Å; I289-F297 HydrophobicContact CD1-CE2 4.02Å; I289-F297 HydrophobicContact CD1-CZ 3.74Å; I289-F297 HydrophobicContact CG1-CE2 4.42Å; I289-F297 HydrophobicContact CG2-CD2 3.81Å; I289-F297 HydrophobicContact CG2-CE2 4.11Å; I289-F297 HydrophobicContact CG2-CG 4.18Å; I294-F297 HydrophobicContact CD1-CB 3.9Å; I294-F297 HydrophobicContact CD1-CD2 4.27Å; I294-F297 HydrophobicContact CD1-CG 4.48Å; F297-N299 HydrophobicContact CD1-CB 4.48Å; F297-N299 HydrophobicContact CE1-CB 3.67Å; F297-N299 HydrophobicContact CZ-CB 3.74Å; F297-I303 HydrophobicContact CD1-CD1 3.99Å; F297-I303 HydrophobicContact CE1-CD1 4.01Å; F297-F311 HydrophobicContact CB-CE1 4.36Å; F297-F311 HydrophobicContact CB-CZ 4.42Å; F297-F311 HydrophobicContact CD1-CD2 4.5Å; F297-F311 HydrophobicContact CD1-CE1 4.2Å; F297-F311 AromaticContact CD1-CE2 3.63Å; F297-F311 HydrophobicContact CD1-CE2 3.63Å; F297-F311 AromaticContact CD1-CZ 3.44Å; F297-F311 HydrophobicContact CD1-CZ 3.44Å; F297-F311 VanDerWaalsContact CD1-CZ 3.44Å; F297-F311 AromaticContact CE1-CE2 4Å; F297-F311 HydrophobicContact CE1-CE2 4Å; F297-F311 AromaticContact CE1-CZ 3.84Å; F297-F311 HydrophobicContact CE1-CZ 3.84Å; F297-F311 HydrophobicContact CG-CE1 4.36Å; F297-F311 HydrophobicContact CG-CZ 4.01Å; F297-V316 HydrophobicContact CB-CG1 4.15Å; F297-M317 PolarHBondContact N-O 2.69Å; F297-A318 CarbonylContact O-C 3.46Å; F297-A318 WeakPolarHBondContact O-CA 3.26Å; F297-I319 PolarHBondContact O-N 3.07Å; F297-F342 HydrophobicContact CE2-CE1 4.06Å; F297-F342 HydrophobicContact CE2-CZ 4.15Å; F297-F342 HydrophobicContact CZ-CE1 4.47Å; F297-F342 HydrophobicContact CZ-CZ 4.1Å
298I94Very high91.6Very high0 Ų045.9 Ų45.90%023%0.228CC..EExtended strand (participates in β ladder)trans-114.5122.7175.6-51.8-174.2000107.6I244 L245 I246 A247 V296 I319 L330 L334 F369I244-I298 HydrophobicContact CG2-CD1 3.67Å; I244-I298 HydrophobicContact CG2-CG1 3.78Å; L245-I298 PolarHBondContact O-N 2.9Å; I246-I298 CarbonylContact C-O 3.24Å; I246-I298 WeakPolarHBondContact CA-O 3.18Å; A247-I298 PolarHBondContact N-O 3.39Å; V296-I298 HydrophobicContact CG1-CD1 4.49Å; V296-I298 HydrophobicContact CG1-CG1 4.03Å; I298-I319 WeakPolarHBondContact CA-O 3.42Å; I298-I319 HydrophobicContact CD1-CD1 4.24Å; I298-I319 HydrophobicContact CG1-CB 4.22Å; I298-I319 HydrophobicContact CG1-CD1 4.11Å; I298-I319 HydrophobicContact CG2-CB 4.43Å; I298-L330 HydrophobicContact CD1-CD1 4.13Å; I298-L330 HydrophobicContact CG2-CD1 4.13Å; I298-L334 HydrophobicContact CD1-CD1 4.23Å; I298-F369 HydrophobicContact CD1-CE1 4.08Å; I298-F369 HydrophobicContact CD1-CZ 4.11Å
299N92.5Very high91.6Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-122.5139.5178.5-163.928.1000111.7A247 T249 F297 Q301 I303 I319 H321A247-N299 CarbonylContact O-C 3.51Å; A247-N299 WeakPolarHBondContact O-CA 3.32Å; A247-N299 PolarHBondContact O-OD1 2.71Å; T249-N299 PolarHBondContact N-OD1 2.98Å; T249-N299 PolarHBondContact O-ND2 3.49Å; T249-N299 PolarHBondContact O-OD1 2.96Å; F297-N299 HydrophobicContact CD1-CB 4.48Å; F297-N299 HydrophobicContact CE1-CB 3.67Å; F297-N299 HydrophobicContact CZ-CB 3.74Å; N299-Q301 PolarHBondContact ND2-O 3.07Å; N299-I303 HydrophobicContact CB-CD1 3.92Å; N299-I303 HydrophobicContact CB-CG1 3.99Å; N299-I319 PolarHBondContact N-O 2.71Å; N299-H321 PolarHBondContact O-N 3.48Å
300R90.8Very high91.7Very high81 Ų8148 Ų4831%0.30624%0.24SC..SBendtrans-66.2-41.4170.8-167173.9163.2-157.2-0112.3A247 N248 H321 A322 I327A247-R300 PolarHBondContact O-N 3.36Å; N248-R300 HydrophobicContact CB-CB 4.04Å; N248-R300 PolarHBondContact ND2-NH1 3.33Å; N248-R300 WeakPolarHBondContact OD1-CD 3.4Å; R300-H321 VanDerWaalsContact CA-O 3.31Å; R300-H321 WeakPolarHBondContact CA-O 3.35Å; R300-A322 VanDerWaalsContact O-CA 3.26Å; R300-A322 WeakPolarHBondContact O-CA 3.25Å; R300-I327 HydrophobicContact CB-CD1 3.26Å; R300-I327 HydrophobicContact CG-CD1 3.75Å; R300-I327 VanDerWaalsContact N-CD1 3.28Å
301Q88.5Confident91.8Very high77 Ų7745.7 Ų45.736%0.3623%0.228SC..SBendtrans-90.7162.8-175.1-53.8-161.214.800110.7A250 N299 I303A250-Q301 VanDerWaalsContact N-CD 3.26Å; N299-Q301 PolarHBondContact ND2-O 3.07Å; Q301-I303 PolarHBondContact O-N 3.48Å
302L88.1Confident91.8Very high95 Ų9543.3 Ų43.350%0.49721%0.208SC..  trans-53137.7-177.5-59.5177.2000111.8E320L302-E320 VanDerWaalsContact CA-OE2 3.28Å; L302-E320 WeakPolarHBondContact CA-OE2 3.28Å; L302-E320 VanDerWaalsContact CD2-CD 3.44Å; L302-E320 HydrophobicContact CD2-CG 4.49Å; L302-E320 WeakPolarHBondContact CD2-OE1 3.43Å
303I88.7Confident92Very high6 Ų648.2 Ų48.23%0.03124%0.235CC..  trans-105.4105.3172.1-51.5-178.8000107.2F297 N299 Q301 P307 E308 F311 A318 E320F297-I303 HydrophobicContact CD1-CD1 3.99Å; F297-I303 HydrophobicContact CE1-CD1 4.01Å; N299-I303 HydrophobicContact CB-CD1 3.92Å; N299-I303 HydrophobicContact CB-CG1 3.99Å; Q301-I303 PolarHBondContact O-N 3.48Å; I303-P307 HydrophobicContact CG2-CB 4Å; I303-E308 HydrophobicContact CB-CG 4.19Å; I303-E308 HydrophobicContact CG2-CG 3.6Å; I303-F311 HydrophobicContact CG2-CD2 4.39Å; I303-F311 HydrophobicContact CG2-CE2 4.23Å; I303-A318 HydrophobicContact CD1-CB 3.96Å; I303-E320 HydrophobicContact CD1-CB 4.38Å; I303-E320 HydrophobicContact CG1-CB 4.24Å; I303-E320 PolarHBondContact N-OE2 2.85Å
304Y88.1Confident92.1Very high92 Ų9245.2 Ų45.236%0.36123%0.225SC..  trans-66.7155.2-179.8-58.2-78.5000111.9M251 D252 M282 Y306 P307 E308M251-Y304 HydrophobicContact CB-CD2 4.04Å; M251-Y304 HydrophobicContact CB-CE2 4.38Å; D252-Y304 HydrophobicContact CB-CD2 4.43Å; D252-Y304 HydrophobicContact CB-CE2 3.6Å; D252-Y304 PolarHBondContact OD2-OH 3.34Å; M282-Y304 HydrophobicContact CE-CD2 3.56Å; M282-Y304 HydrophobicContact CE-CE2 4Å; M282-Y304 HydrophobicContact CE-CG 4.14Å; Y304-Y306 PolarHBondContact O-N 2.95Å; Y304-P307 WeakPolarHBondContact O-CD 3.21Å; Y304-E308 PolarHBondContact O-N 3.45Å
305N89.1Confident92.1Very high133 Ų13352.6 Ų52.671%0.71126%0.256SS*.Hα-helixtrans-51.6-36.7-177.2-59.76000114.1E308 Q309N305-E308 PolarHBondContact O-N 3Å; N305-Q309 WeakPolarHBondContact O-CB 3.39Å; N305-Q309 PolarHBondContact O-N 3.2Å
306Y90.6Very high92Very high67 Ų6751.5 Ų51.526%0.26325%0.251SS..Hα-helixtrans-68.4-51.9-179.5-179.1-114.1000112.2K279 M282 K283 Y304 E308 Q309 L310K279-Y306 HydrophobicContact CB-CD1 4.42Å; K279-Y306 HydrophobicContact CB-CE1 3.97Å; K279-Y306 HydrophobicContact CG-CD1 4.35Å; K279-Y306 HydrophobicContact CG-CE1 4.32Å; K279-Y306 WeakPolarHBondContact O-CE1 3.28Å; M282-Y306 HydrophobicContact CB-CD1 4.13Å; M282-Y306 HydrophobicContact CB-CE1 4.43Å; M282-Y306 HydrophobicContact SD-CD1 4.4Å; K283-Y306 HydrophobicContact CB-CE1 4.19Å; Y304-Y306 PolarHBondContact O-N 2.95Å; Y306-E308 VanDerWaalsContact C-N 3.33Å; Y306-E308 PolarHBondContact O-N 3.36Å; Y306-Q309 PolarHBondContact O-N 3.39Å; Y306-L310 HydrophobicContact CD1-CD1 4.28Å; Y306-L310 HydrophobicContact CE1-CD1 3.85Å; Y306-L310 WeakPolarHBondContact O-CG 3.47Å; Y306-L310 PolarHBondContact O-N 2.89Å; Y306-L310 VanDerWaalsContact O-N 3.12Å
307P91.6Very high92Very high0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-51.5-43.7164.5-29.732000115M251 M282 V286 I303 Y304 Q309 L310 F311M251-P307 HydrophobicContact CB-CG 4.44Å; M251-P307 HydrophobicContact CE-CB 3.92Å; M251-P307 HydrophobicContact CE-CG 4.22Å; M282-P307 HydrophobicContact CB-CG 4.41Å; M282-P307 HydrophobicContact SD-CG 4.15Å; V286-P307 HydrophobicContact CG2-CB 3.89Å; V286-P307 HydrophobicContact CG2-CG 4.47Å; I303-P307 HydrophobicContact CG2-CB 4Å; Y304-P307 WeakPolarHBondContact O-CD 3.21Å; P307-Q309 VanDerWaalsContact C-N 3.32Å; P307-Q309 PolarHBondContact O-N 2.88Å; P307-L310 PolarHBondContact O-N 3.27Å; P307-F311 HydrophobicContact CB-CE2 4.35Å; P307-F311 WeakPolarHBondContact O-CD2 3.24Å; P307-F311 PolarHBondContact O-N 3.44Å
308E91Very high91.9Very high43 Ų4351.6 Ų51.620%0.20125%0.251CS..Hα-helixtrans-59.6-41.9178.1-70.9-166.9146.700112.7Q235 I303 Y304 N305 Y306 F311 A312Q235-E308 PolarHBondContact NE2-O 3.4Å; I303-E308 HydrophobicContact CB-CG 4.19Å; I303-E308 HydrophobicContact CG2-CG 3.6Å; Y304-E308 PolarHBondContact O-N 3.45Å; N305-E308 PolarHBondContact O-N 3Å; Y306-E308 VanDerWaalsContact C-N 3.33Å; Y306-E308 PolarHBondContact O-N 3.36Å; E308-F311 PolarHBondContact O-N 3.43Å; E308-A312 PolarHBondContact O-N 3.38Å
309Q91.9Very high91.8Very high113 Ų11351.6 Ų51.653%0.52825%0.252SS..Hα-helixtrans-62.1-43.9175.3-176.9-177.20.100111.3N305 Y306 P307 F311 A312 D313N305-Q309 WeakPolarHBondContact O-CB 3.39Å; N305-Q309 PolarHBondContact O-N 3.2Å; Y306-Q309 PolarHBondContact O-N 3.39Å; P307-Q309 VanDerWaalsContact C-N 3.32Å; P307-Q309 PolarHBondContact O-N 2.88Å; Q309-F311 VanDerWaalsContact C-N 3.31Å; Q309-F311 PolarHBondContact O-N 3.07Å; Q309-A312 WeakPolarHBondContact O-CB 3.43Å; Q309-A312 PolarHBondContact O-N 3.09Å; Q309-A312 VanDerWaalsContact O-N 3.15Å; Q309-D313 PolarHBondContact O-N 3.13Å
310L94Very high91.6Very high26 Ų2654.1 Ų54.114%0.13626%0.263CS..Hα-helixtrans-63.8-36.8177.6-66.4173.6000112K283 V286 Y306 P307 A314K283-L310 HydrophobicContact CB-CD1 3.98Å; K283-L310 HydrophobicContact CG-CD1 3.95Å; K283-L310 HydrophobicContact CG-CD2 4.48Å; V286-L310 HydrophobicContact CB-CB 4.46Å; V286-L310 HydrophobicContact CB-CD1 4.13Å; V286-L310 HydrophobicContact CG1-CB 3.85Å; V286-L310 HydrophobicContact CG1-CD1 4.38Å; V286-L310 HydrophobicContact CG2-CD1 4.09Å; Y306-L310 HydrophobicContact CD1-CD1 4.28Å; Y306-L310 HydrophobicContact CE1-CD1 3.85Å; Y306-L310 WeakPolarHBondContact O-CG 3.47Å; Y306-L310 PolarHBondContact O-N 2.89Å; Y306-L310 VanDerWaalsContact O-N 3.12Å; P307-L310 PolarHBondContact O-N 3.27Å; L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.44Å; L310-A314 VanDerWaalsContact O-N 3.12Å
311F94.9Very high91Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-66.8-39.7172.2-70.9-56.1000111.9M251 V286 I289 L290 F297 I303 P307 E308 Q309 A314 K315 V316 A318M251-F311 HydrophobicContact CE-CE2 4.29Å; M251-F311 HydrophobicContact CE-CZ 4.42Å; V286-F311 HydrophobicContact CG1-CD1 4.06Å; V286-F311 HydrophobicContact CG1-CE1 3.78Å; V286-F311 HydrophobicContact CG1-CZ 4.08Å; V286-F311 HydrophobicContact CG2-CE2 4.29Å; V286-F311 HydrophobicContact CG2-CZ 4.17Å; I289-F311 HydrophobicContact CB-CE1 4.41Å; I289-F311 HydrophobicContact CD1-CZ 3.95Å; I289-F311 HydrophobicContact CG2-CE1 3.84Å; I289-F311 HydrophobicContact CG2-CZ 4.11Å; L290-F311 HydrophobicContact CD2-CD1 4.17Å; L290-F311 HydrophobicContact CD2-CE1 4.34Å; F297-F311 HydrophobicContact CB-CE1 4.36Å; F297-F311 HydrophobicContact CB-CZ 4.42Å; F297-F311 HydrophobicContact CD1-CD2 4.5Å; F297-F311 HydrophobicContact CD1-CE1 4.2Å; F297-F311 AromaticContact CD1-CE2 3.63Å; F297-F311 HydrophobicContact CD1-CE2 3.63Å; F297-F311 AromaticContact CD1-CZ 3.44Å; F297-F311 HydrophobicContact CD1-CZ 3.44Å; F297-F311 VanDerWaalsContact CD1-CZ 3.44Å; F297-F311 AromaticContact CE1-CE2 4Å; F297-F311 HydrophobicContact CE1-CE2 4Å; F297-F311 AromaticContact CE1-CZ 3.84Å; F297-F311 HydrophobicContact CE1-CZ 3.84Å; F297-F311 HydrophobicContact CG-CE1 4.36Å; F297-F311 HydrophobicContact CG-CZ 4.01Å; I303-F311 HydrophobicContact CG2-CD2 4.39Å; I303-F311 HydrophobicContact CG2-CE2 4.23Å; P307-F311 HydrophobicContact CB-CE2 4.35Å; P307-F311 WeakPolarHBondContact O-CD2 3.24Å; P307-F311 PolarHBondContact O-N 3.44Å; E308-F311 PolarHBondContact O-N 3.43Å; Q309-F311 VanDerWaalsContact C-N 3.31Å; Q309-F311 PolarHBondContact O-N 3.07Å; F311-A314 CarbonylContact O-C 3.57Å; F311-A314 PolarHBondContact O-N 2.87Å; F311-K315 PolarHBondContact O-N 3.03Å; F311-V316 HydrophobicContact CB-CB 4.26Å; F311-V316 HydrophobicContact CD1-CB 4.07Å; F311-V316 HydrophobicContact CD1-CG1 3.89Å; F311-V316 PolarHBondContact O-N 3.4Å; F311-A318 HydrophobicContact CB-CB 4.22Å; F311-A318 HydrophobicContact CD2-CB 3.78Å; F311-A318 HydrophobicContact CE2-CB 4.44Å; F311-A318 HydrophobicContact CG-CB 4.16Å
312A93.4Very high89.6Confident16 Ų1650.5 Ų50.513%0.13226%0.261CS..Hα-helixtrans-61.8-45.3175.200000111.9Q235 E308 Q309 A314 K315Q235-A312 HydrophobicContact CG-CB 3.88Å; E308-A312 PolarHBondContact O-N 3.38Å; Q309-A312 WeakPolarHBondContact O-CB 3.43Å; Q309-A312 PolarHBondContact O-N 3.09Å; Q309-A312 VanDerWaalsContact O-N 3.15Å; A312-A314 PolarHBondContact O-N 2.88Å; A312-K315 PolarHBondContact O-N 3.21Å
313D93.9Very high89Confident119 Ų11949.5 Ų49.564%0.63626%0.256SS*.Hα-helixtrans-59.6-37.1175.4-71.4-19.3000111.7Q309 K315Q309-D313 PolarHBondContact O-N 3.13Å; D313-K315 VanDerWaalsContact C-N 3.27Å; D313-K315 PolarHBondContact O-N 2.96Å
314A93.6Very high88.3Confident43 Ų4353.7 Ų53.736%0.35527%0.274SS..THydrogen-bonded Turntrans-80.8-0.3175.700000114.1L290 L310 F311 A312 V316L290-A314 HydrophobicContact CD1-CB 3.74Å; L290-A314 HydrophobicContact CD2-CB 3.73Å; L290-A314 HydrophobicContact CG-CB 4.41Å; L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.44Å; L310-A314 VanDerWaalsContact O-N 3.12Å; F311-A314 CarbonylContact O-C 3.57Å; F311-A314 PolarHBondContact O-N 2.87Å; A312-A314 PolarHBondContact O-N 2.88Å; A314-V316 VanDerWaalsContact C-N 3.26Å; A314-V316 HydrophobicContact CB-CG2 4.18Å; A314-V316 PolarHBondContact O-N 3.23Å
315K93.6Very high87.7Confident166 Ų16651.6 Ų51.672%0.72227%0.273SS*.THydrogen-bonded Turntrans55.837.5-174.3-55.4179.9179.6179.40113.4P236 F311 A312 D313P236-K315 HydrophobicContact CG-CB 4.41Å; P236-K315 WeakPolarHBondContact CG-O 3.47Å; F311-K315 PolarHBondContact O-N 3.03Å; A312-K315 PolarHBondContact O-N 3.21Å; D313-K315 VanDerWaalsContact C-N 3.27Å; D313-K315 PolarHBondContact O-N 2.96Å
316V94.8Very high87.2Confident4 Ų445.4 Ų45.42%0.02424%0.24CC..PPolyproline II helixtrans-101.6133.2174.5173.60000109.3L290 N295 F297 F311 A314L290-V316 HydrophobicContact CD2-CB 4.44Å; L290-V316 HydrophobicContact CD2-CG2 3.6Å; N295-V316 WeakPolarHBondContact O-CA 3.43Å; F297-V316 HydrophobicContact CB-CG1 4.15Å; F311-V316 HydrophobicContact CB-CB 4.26Å; F311-V316 HydrophobicContact CD1-CB 4.07Å; F311-V316 HydrophobicContact CD1-CG1 3.89Å; F311-V316 PolarHBondContact O-N 3.4Å; A314-V316 VanDerWaalsContact C-N 3.26Å; A314-V316 HydrophobicContact CB-CG2 4.18Å; A314-V316 PolarHBondContact O-N 3.23Å
317M94.6Very high86.9Confident0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-78.7117.4171.1177.9-171.3-73.700109P231 P236 I239 N295 V296 F297 I319 I356 L367P231-M317 HydrophobicContact CB-CG 4.01Å; P231-M317 HydrophobicContact CG-CE 3.95Å; P231-M317 HydrophobicContact CG-CG 4.04Å; P231-M317 HydrophobicContact CG-SD 4.17Å; P236-M317 WeakPolarHBondContact O-CE 3.11Å; I239-M317 HydrophobicContact CD1-CB 3.36Å; I239-M317 HydrophobicContact CD1-CE 3.94Å; I239-M317 HydrophobicContact CD1-CG 4.37Å; I239-M317 HydrophobicContact CD1-SD 4.25Å; I239-M317 HydrophobicContact CG1-CE 4.06Å; N295-M317 PolarHBondContact O-N 2.93Å; V296-M317 CarbonylContact C-O 3.02Å; V296-M317 VanDerWaalsContact CA-O 3.3Å; V296-M317 WeakPolarHBondContact CA-O 3.46Å; V296-M317 HydrophobicContact CG1-SD 4.46Å; V296-M317 HydrophobicContact CG2-CB 4.33Å; F297-M317 PolarHBondContact N-O 2.69Å; M317-I319 HydrophobicContact CG-CD1 4.37Å; M317-I319 HydrophobicContact CG-CG1 4.1Å; M317-I319 HydrophobicContact SD-CD1 3.95Å; M317-I319 HydrophobicContact SD-CG1 4.29Å; M317-I356 HydrophobicContact CE-CG2 4.09Å; M317-I356 HydrophobicContact SD-CG2 3.89Å; M317-L367 HydrophobicContact CE-CD2 4.35Å; M317-L367 HydrophobicContact SD-CD2 4.28Å
318A93.3Very high86.6Confident2 Ų246.4 Ų46.42%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-101129.7174.100000109.7Q235 F297 I303 F311Q235-A318 PolarHBondContact OE1-O 2.99Å; F297-A318 CarbonylContact O-C 3.46Å; F297-A318 WeakPolarHBondContact O-CA 3.26Å; I303-A318 HydrophobicContact CD1-CB 3.96Å; F311-A318 HydrophobicContact CB-CB 4.22Å; F311-A318 HydrophobicContact CD2-CB 3.78Å; F311-A318 HydrophobicContact CE2-CB 4.44Å; F311-A318 HydrophobicContact CG-CB 4.16Å
319I91.1Very high86.2Confident1 Ų145.2 Ų45.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-123118.4179.6-56.9168.8000108.1L227 K229 V296 F297 I298 N299 M317 L367 F369L227-I319 HydrophobicContact CD2-CG2 3.71Å; K229-I319 HydrophobicContact CB-CG2 4.27Å; V296-I319 HydrophobicContact CG1-CD1 4.09Å; F297-I319 PolarHBondContact O-N 3.07Å; I298-I319 WeakPolarHBondContact CA-O 3.42Å; I298-I319 HydrophobicContact CD1-CD1 4.24Å; I298-I319 HydrophobicContact CG1-CB 4.22Å; I298-I319 HydrophobicContact CG1-CD1 4.11Å; I298-I319 HydrophobicContact CG2-CB 4.43Å; N299-I319 PolarHBondContact N-O 2.71Å; M317-I319 HydrophobicContact CG-CD1 4.37Å; M317-I319 HydrophobicContact CG-CG1 4.1Å; M317-I319 HydrophobicContact SD-CD1 3.95Å; M317-I319 HydrophobicContact SD-CG1 4.29Å; I319-L367 HydrophobicContact CD1-CD1 3.62Å; I319-L367 HydrophobicContact CG1-CD1 3.89Å; I319-L367 HydrophobicContact CG2-CD1 4.43Å; I319-F369 HydrophobicContact CD1-CZ 3.97Å
320E88.2Confident85.9Confident53 Ų5339.8 Ų39.825%0.24822%0.217CC..EExtended strand (participates in β ladder)trans-91.9118.4172-173.5-165.5111.500110.5K229 L302 I303K229-E320 WeakPolarHBondContact CD-O 3.34Å; K229-E320 WeakPolarHBondContact CE-O 3.32Å; K229-E320 PolarHBondContact NZ-O 3.1Å; K229-E320 VanDerWaalsContact NZ-O 3.1Å; L302-E320 VanDerWaalsContact CA-OE2 3.28Å; L302-E320 WeakPolarHBondContact CA-OE2 3.28Å; L302-E320 VanDerWaalsContact CD2-CD 3.44Å; L302-E320 HydrophobicContact CD2-CG 4.49Å; L302-E320 WeakPolarHBondContact CD2-OE1 3.43Å; I303-E320 HydrophobicContact CD1-CB 4.38Å; I303-E320 HydrophobicContact CG1-CB 4.24Å; I303-E320 PolarHBondContact N-OE2 2.85Å
321H77.8Confident85.6Confident18 Ų1839.2 Ų39.28%0.08322%0.215CC..  trans-133.593.7179.3-168.345.1000112.5N299 R300 D323 G326 I327N299-H321 PolarHBondContact O-N 3.48Å; R300-H321 VanDerWaalsContact CA-O 3.31Å; R300-H321 WeakPolarHBondContact CA-O 3.35Å; H321-D323 PolarHBondContact O-N 3.12Å; H321-D323 VanDerWaalsContact O-N 3.13Å; H321-G326 WeakPolarHBondContact NE2-CA 3.48Å; H321-I327 HydrophobicContact CB-CD1 4.49Å; H321-I327 HydrophobicContact CB-CG1 4.37Å; H321-I327 VanDerWaalsContact O-CD1 3.26Å; H321-I327 WeakPolarHBondContact O-CD1 3.3Å
322A60Low85Confident64 Ų6442.7 Ų42.753%0.52923%0.234SC..  trans-67.3-9.6-175.500000116.1R300R300-A322 VanDerWaalsContact O-CA 3.26Å; R300-A322 WeakPolarHBondContact O-CA 3.25Å
323D76.1Confident84.6Confident74 Ų7441.9 Ų41.940%0.39623%0.227SC..  trans-82.8132.1-179.7-175.121000111.7H321 S325 G326 I327H321-D323 PolarHBondContact O-N 3.12Å; H321-D323 VanDerWaalsContact O-N 3.13Å; D323-S325 PolarHBondContact OD1-N 3.37Å; D323-S325 PolarHBondContact OD2-OG 2.89Å; D323-G326 PolarHBondContact OD2-N 3.41Å; D323-I327 PolarHBondContact O-N 2.89Å
324F72.8Confident84.4Confident93 Ų9336.3 Ų36.341%0.40820%0.197SC..Hα-helixtrans-69.3-45.1176.6-173.4-103.5000111G326 I327 E328F324-G326 PolarHBondContact O-N 2.96Å; F324-I327 PolarHBondContact O-N 3.48Å; F324-E328 HydrophobicContact CD1-CG 4.48Å; F324-E328 HydrophobicContact CE1-CG 4.11Å; F324-E328 WeakPolarHBondContact CE1-OE1 3.44Å; F324-E328 WeakPolarHBondContact CE1-OE2 3.41Å; F324-E328 HydrophobicContact CZ-CG 4.21Å; F324-E328 WeakPolarHBondContact CZ-OE1 3.32Å; F324-E328 PolarHBondContact O-N 2.72Å; F324-E328 VanDerWaalsContact O-N 3.13Å
325S75.4Confident84.1Confident49 Ų4935 Ų3534%0.34319%0.187SC..Hα-helixtrans-61.6-45.8-177.383.90000111D323 I327 E328 Q329D323-S325 PolarHBondContact OD1-N 3.37Å; D323-S325 PolarHBondContact OD2-OG 2.89Å; S325-I327 VanDerWaalsContact C-N 3.33Å; S325-I327 PolarHBondContact O-N 3.34Å; S325-E328 PolarHBondContact O-N 2.9Å; S325-Q329 WeakPolarHBondContact O-CG 3.18Å; S325-Q329 PolarHBondContact O-N 3.46Å
326G79.8Confident83.9Confident2 Ų227.3 Ų27.32%0.02116%0.156CC..Hα-helixtrans-67.9-29-179.300000114.1H321 D323 F324 L330H321-G326 WeakPolarHBondContact NE2-CA 3.48Å; D323-G326 PolarHBondContact OD2-N 3.41Å; F324-G326 PolarHBondContact O-N 2.96Å; G326-L330 WeakPolarHBondContact O-CB 3.15Å; G326-L330 VanDerWaalsContact O-CG 3.23Å; G326-L330 WeakPolarHBondContact O-CG 3.45Å; G326-L330 PolarHBondContact O-N 3.21Å
327I84.2Confident83.7Confident2 Ų231.1 Ų31.11%0.0118%0.176CC..Hα-helixtrans-73.1-39173.2-81.1-178.5000112.4I246 R300 H321 D323 F324 S325 L330 A331 I338I246-I327 HydrophobicContact CG2-CG2 3.78Å; R300-I327 HydrophobicContact CB-CD1 3.26Å; R300-I327 HydrophobicContact CG-CD1 3.75Å; R300-I327 VanDerWaalsContact N-CD1 3.28Å; H321-I327 HydrophobicContact CB-CD1 4.49Å; H321-I327 HydrophobicContact CB-CG1 4.37Å; H321-I327 VanDerWaalsContact O-CD1 3.26Å; H321-I327 WeakPolarHBondContact O-CD1 3.3Å; D323-I327 PolarHBondContact O-N 2.89Å; F324-I327 PolarHBondContact O-N 3.48Å; S325-I327 VanDerWaalsContact C-N 3.33Å; S325-I327 PolarHBondContact O-N 3.34Å; I327-L330 PolarHBondContact O-N 3.15Å; I327-A331 WeakPolarHBondContact O-CB 3.16Å; I327-A331 PolarHBondContact O-N 3.42Å; I327-I338 HydrophobicContact CG2-CD1 3.72Å; I327-I338 HydrophobicContact CG2-CG1 3.98Å; I327-I338 HydrophobicContact CG2-CG2 4.37Å
328E83.9Confident83.5Confident86 Ų8634.2 Ų34.240%0.40219%0.192SC..Hα-helixtrans-65.1-42.3173.8-69.1-168.8149.200111.1F324 S325 L330 A331 L332 I338F324-E328 HydrophobicContact CD1-CG 4.48Å; F324-E328 HydrophobicContact CE1-CG 4.11Å; F324-E328 WeakPolarHBondContact CE1-OE1 3.44Å; F324-E328 WeakPolarHBondContact CE1-OE2 3.41Å; F324-E328 HydrophobicContact CZ-CG 4.21Å; F324-E328 WeakPolarHBondContact CZ-OE1 3.32Å; F324-E328 PolarHBondContact O-N 2.72Å; F324-E328 VanDerWaalsContact O-N 3.13Å; S325-E328 PolarHBondContact O-N 2.9Å; E328-L330 PolarHBondContact O-N 3.37Å; E328-A331 PolarHBondContact O-N 2.97Å; E328-L332 WeakPolarHBondContact O-CB 3.4Å; E328-L332 VanDerWaalsContact O-CG 3.3Å; E328-L332 WeakPolarHBondContact O-CG 3.49Å; E328-L332 PolarHBondContact O-N 2.86Å; E328-I338 HydrophobicContact CG-CD1 4.06Å
329Q82.1Confident83.4Confident18 Ų1834.9 Ų34.98%0.08420%0.196CC..Hα-helixtrans-56.7-49.6171.4-73.2169-5.700111.3D204 T207 F225 S325 A331 L332 V333 A377D204-Q329 WeakPolarHBondContact O-CG 3.43Å; D204-Q329 PolarHBondContact O-NE2 3.4Å; T207-Q329 PolarHBondContact OG1-OE1 3.09Å; F225-Q329 HydrophobicContact CE2-CB 4Å; F225-Q329 HydrophobicContact CZ-CB 3.98Å; S325-Q329 WeakPolarHBondContact O-CG 3.18Å; S325-Q329 PolarHBondContact O-N 3.46Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 2.75Å; Q329-L332 WeakPolarHBondContact O-CB 3.32Å; Q329-L332 PolarHBondContact O-N 2.9Å; Q329-V333 WeakPolarHBondContact O-CB 3.27Å; Q329-V333 VanDerWaalsContact O-CG2 3.27Å; Q329-V333 WeakPolarHBondContact O-CG2 3.4Å; Q329-V333 PolarHBondContact O-N 3.08Å; Q329-A377 HydrophobicContact CB-CB 4.39Å
330L86.6Confident83.2Confident0 Ų039.1 Ų39.10%023%0.226CC..Hα-helixtrans-59.9-41.7177.4-77.4167000111.9F225 L227 I298 G326 I327 E328 L332 V333 L334 F369F225-L330 HydrophobicContact CD1-CD2 3.58Å; F225-L330 HydrophobicContact CD1-CG 4.35Å; F225-L330 HydrophobicContact CE1-CD2 3.54Å; F225-L330 HydrophobicContact CE1-CG 3.83Å; L227-L330 HydrophobicContact CD1-CD1 4.35Å; L227-L330 HydrophobicContact CD2-CD1 4.21Å; I298-L330 HydrophobicContact CD1-CD1 4.13Å; I298-L330 HydrophobicContact CG2-CD1 4.13Å; G326-L330 WeakPolarHBondContact O-CB 3.15Å; G326-L330 VanDerWaalsContact O-CG 3.23Å; G326-L330 WeakPolarHBondContact O-CG 3.45Å; G326-L330 PolarHBondContact O-N 3.21Å; I327-L330 PolarHBondContact O-N 3.15Å; E328-L330 PolarHBondContact O-N 3.37Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 3.44Å; L330-V333 PolarHBondContact O-N 2.89Å; L330-L334 HydrophobicContact CB-CD1 4.31Å; L330-L334 HydrophobicContact CD2-CD1 4.19Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 WeakPolarHBondContact O-CD1 3.37Å; L330-L334 WeakPolarHBondContact O-CG 3.43Å; L330-L334 PolarHBondContact O-N 3.02Å; L330-F369 HydrophobicContact CD2-CD2 4.35Å; L330-F369 HydrophobicContact CD2-CE1 4.28Å; L330-F369 HydrophobicContact CD2-CE2 4.02Å; L330-F369 HydrophobicContact CD2-CZ 3.97Å
331A87.4Confident83.1Confident13 Ų1339.9 Ų39.911%0.10723%0.234CC..Hα-helixtrans-61-43.7175.700000111.9I246 I327 E328 Q329 G335 G336 I338I246-A331 HydrophobicContact CD1-CB 4.03Å; I327-A331 WeakPolarHBondContact O-CB 3.16Å; I327-A331 PolarHBondContact O-N 3.42Å; E328-A331 PolarHBondContact O-N 2.97Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 2.75Å; A331-G335 WeakPolarHBondContact O-CA 3.39Å; A331-G335 PolarHBondContact O-N 3.07Å; A331-G336 PolarHBondContact O-N 2.92Å; A331-I338 HydrophobicContact CB-CD1 4.1Å; A331-I338 HydrophobicContact CB-CG1 3.79Å
332L83.1Confident83.6Confident73 Ų7339.4 Ų39.438%0.38223%0.232SC..Hα-helixtrans-64.6-43.6176.4-71.7172.2000112.6E328 Q329 L330 V374 A376E328-L332 WeakPolarHBondContact O-CB 3.4Å; E328-L332 VanDerWaalsContact O-CG 3.3Å; E328-L332 WeakPolarHBondContact O-CG 3.49Å; E328-L332 PolarHBondContact O-N 2.86Å; Q329-L332 WeakPolarHBondContact O-CB 3.32Å; Q329-L332 PolarHBondContact O-N 2.9Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 3.44Å; L332-V374 WeakPolarHBondContact O-CB 3.44Å; L332-A376 HydrophobicContact CB-CB 4.39Å
333V85.4Confident84.8Confident0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-67.1-49-179.8172.20000111.3F225 Q329 L330 G335 V372 A377F225-V333 HydrophobicContact CB-CG1 3.99Å; F225-V333 HydrophobicContact CB-CG2 4.26Å; F225-V333 HydrophobicContact CD2-CG2 3.93Å; F225-V333 HydrophobicContact CG-CG2 4.19Å; Q329-V333 WeakPolarHBondContact O-CB 3.27Å; Q329-V333 VanDerWaalsContact O-CG2 3.27Å; Q329-V333 WeakPolarHBondContact O-CG2 3.4Å; Q329-V333 PolarHBondContact O-N 3.08Å; L330-V333 PolarHBondContact O-N 2.89Å; V333-G335 VanDerWaalsContact C-N 3.33Å; V333-V372 HydrophobicContact CG1-CB 3.56Å; V333-V372 HydrophobicContact CG1-CG1 3.38Å; V333-V372 HydrophobicContact CG1-CG2 3.84Å; V333-A377 HydrophobicContact CG2-CB 3.2Å
334L89Confident85.1Confident2 Ų241.5 Ų41.51%0.0123%0.234CC..Hα-helixtrans-82.9-14.8-173.2-57.5172.7000112.2I244 I246 I298 L330 G336 G351 Y352 C353 F369 V372I244-L334 HydrophobicContact CB-CD1 4.39Å; I244-L334 HydrophobicContact CD1-CD1 3.49Å; I244-L334 VanDerWaalsContact CD1-CD1 3.49Å; I244-L334 HydrophobicContact CD1-CD2 3.6Å; I244-L334 HydrophobicContact CD1-CG 4.03Å; I244-L334 HydrophobicContact CG2-CD1 4.03Å; I246-L334 HydrophobicContact CD1-CB 4.48Å; I246-L334 HydrophobicContact CD1-CD1 4Å; I298-L334 HydrophobicContact CD1-CD1 4.23Å; L330-L334 HydrophobicContact CB-CD1 4.31Å; L330-L334 HydrophobicContact CD2-CD1 4.19Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 WeakPolarHBondContact O-CD1 3.37Å; L330-L334 WeakPolarHBondContact O-CG 3.43Å; L330-L334 PolarHBondContact O-N 3.02Å; L334-G336 VanDerWaalsContact C-N 3.31Å; L334-G336 PolarHBondContact O-N 3.33Å; L334-G351 WeakPolarHBondContact O-CA 2.96Å; L334-Y352 PolarHBondContact O-N 3.46Å; L334-C353 HydrophobicContact CD2-CB 3.84Å; L334-F369 HydrophobicContact CD1-CD1 4.45Å; L334-F369 HydrophobicContact CD1-CE1 4.36Å; L334-F369 HydrophobicContact CD2-CD1 3.94Å; L334-V372 HydrophobicContact CD2-CG1 4.27Å
335G87.4Confident85.3Confident14 Ų1439.4 Ų39.414%0.14423%0.23CC..THydrogen-bonded Turntrans71.222179.500000114.3A331 V333 K349A331-G335 WeakPolarHBondContact O-CA 3.39Å; A331-G335 PolarHBondContact O-N 3.07Å; V333-G335 VanDerWaalsContact C-N 3.33Å; G335-K349 VanDerWaalsContact O-CD 3.28Å; G335-K349 WeakPolarHBondContact O-CD 3.45Å; G335-K349 WeakPolarHBondContact O-CE 3.31Å; G335-K349 PolarHBondContact O-NZ 3.42Å
336G88.9Confident85.5Confident6 Ų647.1 Ų47.16%0.06226%0.257CS..  trans-102.1161.3179.300000113.1A331 L334 K349A331-G336 PolarHBondContact O-N 2.92Å; L334-G336 VanDerWaalsContact C-N 3.31Å; L334-G336 PolarHBondContact O-N 3.33Å; G336-K349 CarbonylContact C-O 3.52Å; G336-K349 WeakPolarHBondContact CA-O 3.31Å
337D90.4Very high85.4Confident83 Ų8355.2 Ų55.244%0.44429%0.292SS..  trans-90.8143.8176.7-62.5-27.3000110.9V339 K349D337-V339 PolarHBondContact O-N 3.13Å; D337-K349 HydrophobicContact CB-CB 4.34Å; D337-K349 PolarHBondContact N-O 3.31Å; D337-K349 VanDerWaalsContact OD2-CB 3.22Å; D337-K349 WeakPolarHBondContact OD2-CB 3.2Å
338I90.8Very high85.4Confident66 Ų6656 Ų5634%0.33830%0.297SS..EExtended strand (participates in β ladder)trans-78.9114.4172.5-56.5166.5000108.6I246 N248 I327 E328 A331I246-I338 HydrophobicContact CG2-CG1 4.05Å; I246-I338 WeakPolarHBondContact O-CA 3.36Å; N248-I338 HydrophobicContact CB-CG2 3.9Å; I327-I338 HydrophobicContact CG2-CD1 3.72Å; I327-I338 HydrophobicContact CG2-CG1 3.98Å; I327-I338 HydrophobicContact CG2-CG2 4.37Å; E328-I338 HydrophobicContact CG-CD1 4.06Å; A331-I338 HydrophobicContact CB-CD1 4.1Å; A331-I338 HydrophobicContact CB-CG1 3.79Å
339V91.2Very high85.7Confident15 Ų1557.7 Ų57.79%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-95.2143-178.8-56.90000113.1L245 I246 A247 N248 D337 F342L245-V339 HydrophobicContact CD1-CG1 4.17Å; L245-V339 HydrophobicContact CD1-CG2 3.81Å; L245-V339 HydrophobicContact CD2-CG2 4.36Å; L245-V339 HydrophobicContact CG-CG2 4.07Å; I246-V339 WeakPolarHBondContact O-CG2 3.31Å; I246-V339 PolarHBondContact O-N 2.98Å; A247-V339 CarbonylContact C-O 3.52Å; A247-V339 VanDerWaalsContact CA-O 3.25Å; A247-V339 WeakPolarHBondContact CA-O 3.41Å; A247-V339 HydrophobicContact CB-CG2 3.86Å; N248-V339 PolarHBondContact N-O 3.23Å; D337-V339 PolarHBondContact O-N 3.13Å; V339-F342 HydrophobicContact CG2-CD1 4.01Å; V339-F342 HydrophobicContact CG2-CE1 3.68Å
340S87.7Confident86.1Confident91 Ų9159.3 Ų59.364%0.63631%0.312SS*.SBendtrans-108.2-7.3172.755.70000113.5T249T249-S340 VanDerWaalsContact OG1-C 3.25Å; T249-S340 VanDerWaalsContact OG1-CA 3.29Å; T249-S340 WeakPolarHBondContact OG1-CA 3.33Å; T249-S340 PolarHBondContact OG1-O 3Å; T249-S340 VanDerWaalsContact OG1-O 3.07Å
341T86Confident86.4Confident69 Ų6959.4 Ų59.442%0.42331%0.313SS..  trans-143.7150177176.70000110.2D343T341-D343 PolarHBondContact OG1-N 2.87Å; T341-D343 PolarHBondContact OG1-OD2 3.43Å
342F87.2Confident86.7Confident8 Ų862.9 Ų62.94%0.03532%0.324CS..  trans-108.11.5-177.1-51.6-59.7000113.2L245 A247 T249 K285 K288 I289 H292 F297 V339 N344L245-F342 HydrophobicContact CD2-CD1 3.94Å; L245-F342 HydrophobicContact CD2-CE1 3.99Å; A247-F342 HydrophobicContact CB-CE1 3.7Å; A247-F342 HydrophobicContact CB-CZ 3.77Å; T249-F342 HydrophobicContact CG2-CE2 4.29Å; K285-F342 VanDerWaalsContact CE-CE2 3.48Å; K285-F342 HydrophobicContact CG-CD2 4.04Å; K285-F342 HydrophobicContact CG-CE2 4.24Å; K288-F342 HydrophobicContact CB-CB 3.91Å; I289-F342 HydrophobicContact CD1-CD1 4.46Å; I289-F342 HydrophobicContact CD1-CD2 3.99Å; I289-F342 HydrophobicContact CD1-CE1 4.21Å; I289-F342 HydrophobicContact CD1-CE2 3.72Å; I289-F342 HydrophobicContact CD1-CG 4.35Å; I289-F342 HydrophobicContact CD1-CZ 3.84Å; I289-F342 HydrophobicContact CG1-CB 4.19Å; I289-F342 HydrophobicContact CG1-CD1 3.63Å; I289-F342 HydrophobicContact CG1-CD2 3.64Å; I289-F342 HydrophobicContact CG1-CE1 3.82Å; I289-F342 HydrophobicContact CG1-CE2 3.83Å; I289-F342 HydrophobicContact CG1-CG 3.53Å; I289-F342 HydrophobicContact CG1-CZ 3.92Å; H292-F342 PolarHBondContact NE2-O 2.98Å; H292-F342 VanDerWaalsContact NE2-O 3.1Å; F297-F342 HydrophobicContact CE2-CE1 4.06Å; F297-F342 HydrophobicContact CE2-CZ 4.15Å; F297-F342 HydrophobicContact CZ-CE1 4.47Å; F297-F342 HydrophobicContact CZ-CZ 4.1Å; V339-F342 HydrophobicContact CG2-CD1 4.01Å; V339-F342 HydrophobicContact CG2-CE1 3.68Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 PolarHBondContact O-N 3.44Å
343D85.4Confident87.1Confident91 Ų9159.4 Ų59.449%0.48731%0.306SS..SBendtrans-70.3-21.9-170.2-66.1-41000114.1K288 T341 P345K288-D343 WeakPolarHBondContact CE-OD1 3.43Å; K288-D343 IonicContact NZ-OD1 2.91Å; K288-D343 PolarHBondContact NZ-OD1 3.13Å; T341-D343 PolarHBondContact OG1-N 2.87Å; T341-D343 PolarHBondContact OG1-OD2 3.43Å; D343-P345 WeakPolarHBondContact O-CD 3.26Å
344N82.3Confident87.5Confident90 Ų9063.3 Ų63.348%0.48133%0.327SS..  trans-123.980-173.9-68.6-60.9000112.9F342 K346 K347F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 PolarHBondContact O-N 3.44Å; N344-K346 PolarHBondContact O-N 3.32Å; N344-K346 VanDerWaalsContact O-N 3.12Å; N344-K347 HydrophobicContact CB-CB 4.26Å; N344-K347 HydrophobicContact CB-CD 4.23Å; N344-K347 HydrophobicContact CB-CG 4.3Å; N344-K347 PolarHBondContact O-N 3.08Å; N344-K347 VanDerWaalsContact O-N 3.1Å
345P78.1Confident87.7Confident50 Ų5064.7 Ų64.733%0.32533%0.334SS..THydrogen-bonded Turntrans-54.7-34.1-178-27.534.2000115.8A291 H292 D343 K347 S348A291-P345 HydrophobicContact CB-CG 4.44Å; H292-P345 WeakPolarHBondContact CE1-CA 3.02Å; D343-P345 WeakPolarHBondContact O-CD 3.26Å; P345-K347 VanDerWaalsContact C-N 3.29Å; P345-K347 PolarHBondContact O-N 3.25Å; P345-S348 PolarHBondContact O-OG 3.24Å
346K77.9Confident88.1Confident211 Ų21164 Ų6492%0.91733%0.327SS*.THydrogen-bonded Turntrans-75.4-13.1-176.9-64.2-174.7178.3-1780114.4N344N344-K346 PolarHBondContact O-N 3.32Å; N344-K346 VanDerWaalsContact O-N 3.12Å
347K79.1Confident88.3Confident171 Ų17166 Ų6674%0.74334%0.335SS*.THydrogen-bonded Turntrans-96.5-20.7-176.2-72.7-171.3177.7-177.40113.4N344 P345N344-K347 HydrophobicContact CB-CB 4.26Å; N344-K347 HydrophobicContact CB-CD 4.23Å; N344-K347 HydrophobicContact CB-CG 4.3Å; N344-K347 PolarHBondContact O-N 3.08Å; N344-K347 VanDerWaalsContact O-N 3.1Å; P345-K347 VanDerWaalsContact C-N 3.29Å; P345-K347 PolarHBondContact O-N 3.25Å
348S82.8Confident88.5Confident19 Ų1964.6 Ų64.613%0.13333%0.327CS..SBendtrans-88.1123.5-177.140.40000111.1H292 P345 L350H292-S348 PolarHBondContact CE1-OG 3.19Å; H292-S348 PolarHBondContact ND1-OG 3Å; H292-S348 VanDerWaalsContact ND1-OG 3.11Å; P345-S348 PolarHBondContact O-OG 3.24Å; S348-L350 PolarHBondContact O-N 2.92Å
349K90.2Very high88.6Confident121 Ų12162.3 Ų62.353%0.52632%0.316SS..  trans-75113.6171.2-168.1-175.2-179-154.60109.3G335 G336 D337G335-K349 VanDerWaalsContact O-CD 3.28Å; G335-K349 WeakPolarHBondContact O-CD 3.45Å; G335-K349 WeakPolarHBondContact O-CE 3.31Å; G335-K349 PolarHBondContact O-NZ 3.42Å; G336-K349 CarbonylContact C-O 3.52Å; G336-K349 WeakPolarHBondContact CA-O 3.31Å; D337-K349 HydrophobicContact CB-CB 4.34Å; D337-K349 PolarHBondContact N-O 3.31Å; D337-K349 VanDerWaalsContact OD2-CB 3.22Å; D337-K349 WeakPolarHBondContact OD2-CB 3.2Å
350L92.1Very high88.6Confident52 Ų5269.5 Ų69.527%0.27235%0.349SS..  trans-72.8144.1174.8-59.7179.3000110.5I244 L245 I294 S348I244-L350 CarbonylContact O-C 3.59Å; I244-L350 WeakPolarHBondContact O-CA 3.41Å; L245-L350 HydrophobicContact CB-CD2 4.01Å; L245-L350 HydrophobicContact CD1-CD2 3.57Å; L245-L350 HydrophobicContact CG-CD2 4.4Å; I294-L350 HydrophobicContact CG2-CD1 3.97Å; I294-L350 HydrophobicContact CG2-CD2 3.82Å; S348-L350 PolarHBondContact O-N 2.92Å
351G92.4Very high88.8Confident2 Ų265.6 Ų65.62%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-74.8157.4167.700000111.3I244 L334I244-G351 PolarHBondContact N-O 2.88Å; I244-G351 PolarHBondContact O-N 3.02Å; L334-G351 WeakPolarHBondContact O-CA 2.96Å
352Y93.6Very high88.9Confident86 Ų8664.5 Ų64.534%0.33732%0.324SS..EExtended strand (participates in β ladder)trans-138.3142.2179.1178.5-91.4000111.8K241 A242 L334 D354 P373K241-Y352 HydrophobicContact CB-CE2 4.24Å; A242-Y352 WeakPolarHBondContact O-CA 3.5Å; A242-Y352 VanDerWaalsContact O-CD2 3.27Å; A242-Y352 WeakPolarHBondContact O-CD2 3.25Å; L334-Y352 PolarHBondContact O-N 3.46Å; Y352-D354 WeakPolarHBondContact CE1-OD1 3.49Å; Y352-D354 PolarHBondContact OH-OD1 3.47Å; Y352-P373 WeakPolarHBondContact O-CD 3.24Å
353C92Very high89Confident0 Ų073.8 Ų73.80%037%0.367CS..EExtended strand (participates in β ladder)trans-150.1155.3161.470.20000110.7A242 L334 I356 G371 V372A242-C353 PolarHBondContact N-O 3.42Å; A242-C353 PolarHBondContact O-N 3.45Å; L334-C353 HydrophobicContact CD2-CB 3.84Å; C353-I356 WeakPolarHBondContact SG-CG1 3.41Å; C353-G371 WeakPolarHBondContact CA-O 3.45Å; C353-V372 HydrophobicContact CB-CG1 3.97Å
354D93.6Very high89.2Confident83 Ų8375.9 Ų75.944%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-71.8-36.8-175.4-68.4-35.3000113E240 K241 Y352 S370 G371E240-D354 CarbonylContact C-O 3.56Å; E240-D354 WeakPolarHBondContact CA-O 3.26Å; K241-D354 PolarHBondContact N-O 3.06Å; Y352-D354 WeakPolarHBondContact CE1-OD1 3.49Å; Y352-D354 PolarHBondContact OH-OD1 3.47Å; D354-S370 PolarHBondContact N-O 3.1Å; D354-G371 PolarHBondContact N-O 3.06Å; D354-G371 WeakPolarHBondContact OD2-CA 3.19Å
355L93.8Very high89.6Confident30 Ų3073.2 Ų73.216%0.15736%0.359CS..EExtended strand (participates in β ladder)trans-145.7132.6-178.1-179.765.4000111.1R238 I239 E240 E357 S370R238-L355 HydrophobicContact CG-CD1 3.85Å; I239-L355 WeakPolarHBondContact O-CA 3.36Å; E240-L355 HydrophobicContact CG-CD1 3.9Å; L355-E357 HydrophobicContact CD2-CG 4.3Å; L355-E357 HydrophobicContact CG-CB 4.49Å; L355-E357 HydrophobicContact CG-CG 4.4Å; L355-S370 PolarHBondContact N-O 3.22Å; L355-S370 PolarHBondContact O-N 3Å
356I94.5Very high90.3Very high0 Ų071.2 Ų71.20%035%0.345CS..EExtended strand (participates in β ladder)trans-116.1126162.4-54.1178.3000107.7R238 I239 A242 I244 V296 M317 C353 L367 R368 F369R238-I356 CarbonylContact C-O 3.54Å; R238-I356 VanDerWaalsContact CA-O 3.26Å; R238-I356 WeakPolarHBondContact CA-O 3.14Å; I239-I356 PolarHBondContact N-O 3.4Å; I239-I356 PolarHBondContact O-N 2.88Å; A242-I356 HydrophobicContact CB-CD1 3.74Å; A242-I356 HydrophobicContact CB-CG1 4.02Å; I244-I356 HydrophobicContact CD1-CD1 4.04Å; I244-I356 HydrophobicContact CG1-CD1 4.47Å; V296-I356 HydrophobicContact CB-CD1 4.4Å; V296-I356 HydrophobicContact CG1-CD1 4.1Å; V296-I356 HydrophobicContact CG2-CD1 3.6Å; M317-I356 HydrophobicContact CE-CG2 4.09Å; M317-I356 HydrophobicContact SD-CG2 3.89Å; C353-I356 WeakPolarHBondContact SG-CG1 3.41Å; I356-L367 HydrophobicContact CG2-CD2 3.81Å; I356-R368 VanDerWaalsContact CA-O 3.31Å; I356-R368 WeakPolarHBondContact CA-O 3.05Å; I356-F369 HydrophobicContact CD1-CD1 3.67Å; I356-F369 HydrophobicContact CD1-CE1 3.47Å; I356-F369 VanDerWaalsContact CD1-CE1 3.47Å; I356-F369 HydrophobicContact CD1-CZ 4.4Å; I356-F369 HydrophobicContact CG1-CD1 3.7Å; I356-F369 HydrophobicContact CG1-CE1 3.99Å; I356-F369 HydrophobicContact CG1-CG 4.42Å; I356-F369 HydrophobicContact CG2-CE1 4.43Å
357E94.2Very high91Very high47 Ų4761.1 Ų61.122%0.2230%0.301CS..EExtended strand (participates in β ladder)trans-145.3155.8175.266.3-175.9170.500112.3R238 L355 V359 R368R238-E357 HydrophobicContact CG-CB 4.29Å; R238-E357 IonicContact CZ-OE2 2.83Å; R238-E357 IonicContact NH1-OE2 3.69Å; R238-E357 PolarHBondContact NH1-OE2 3.39Å; L355-E357 HydrophobicContact CD2-CG 4.3Å; L355-E357 HydrophobicContact CG-CB 4.49Å; L355-E357 HydrophobicContact CG-CG 4.4Å; E357-V359 HydrophobicContact CG-CG1 4.04Å; E357-R368 PolarHBondContact N-O 2.83Å; E357-R368 VanDerWaalsContact N-O 3.17Å; E357-R368 PolarHBondContact O-N 3.4Å
358L92.8Very high91.7Very high55 Ų5555.7 Ų55.729%0.28828%0.276SS..EExtended strand (participates in β ladder)trans-76.3128.2169.3-77-176.5000110.8Q230 Q237 T365 Y366 L367Q230-L358 HydrophobicContact CG-CD2 4.31Å; Q237-L358 HydrophobicContact CB-CD1 4.49Å; Q237-L358 PolarHBondContact O-N 2.97Å; L358-T365 HydrophobicContact CB-CG2 4.04Å; L358-T365 HydrophobicContact CD1-CG2 4.28Å; L358-T365 HydrophobicContact CD2-CG2 3.82Å; L358-T365 HydrophobicContact CG-CG2 4.29Å; L358-Y366 WeakPolarHBondContact CA-O 3.27Å; L358-L367 HydrophobicContact CD2-CD2 3.66Å; L358-L367 HydrophobicContact CD2-CG 3.86Å; L358-L367 HydrophobicContact CG-CD2 4.17Å
359V93.2Very high92.1Very high18 Ų1854.8 Ų54.811%0.10927%0.27CS..EExtended strand (participates in β ladder)trans-123.9142.9173.9-600000109.7L226 E357 I361 T365 Y366 R368L226-V359 HydrophobicContact CD2-CG2 3.92Å; E357-V359 HydrophobicContact CG-CG1 4.04Å; V359-I361 HydrophobicContact CG2-CD1 4.12Å; V359-I361 HydrophobicContact CG2-CG1 4.16Å; V359-T365 CarbonylContact O-C 3.6Å; V359-T365 WeakPolarHBondContact O-CA 3.48Å; V359-T365 WeakPolarHBondContact O-CG2 3.39Å; V359-Y366 PolarHBondContact N-O 3.38Å; V359-Y366 PolarHBondContact O-N 2.85Å; V359-R368 HydrophobicContact CG1-CB 3.97Å; V359-R368 HydrophobicContact CG2-CB 3.91Å
360Q92.2Very high92.2Very high165 Ų16550.5 Ų50.577%0.77125%0.254SS*.EExtended strand (participates in β ladder)trans-95.3126.6172.5-71.5-177.9-15.400109T365Q360-T365 HydrophobicContact CG-CG2 4.25Å
361I91.5Very high91.9Very high9 Ų949.7 Ų49.75%0.04626%0.259CS..EExtended strand (participates in β ladder)trans-129.9112.4176.4-52.8177.6000106.4V211 L226 V359 E363 K364 Y366 V381 F383V211-I361 HydrophobicContact CG2-CG2 3.79Å; L226-I361 HydrophobicContact CD1-CD1 3.57Å; L226-I361 HydrophobicContact CD2-CD1 3.92Å; L226-I361 HydrophobicContact CG-CD1 4.39Å; V359-I361 HydrophobicContact CG2-CD1 4.12Å; V359-I361 HydrophobicContact CG2-CG1 4.16Å; I361-E363 PolarHBondContact O-N 2.76Å; I361-K364 PolarHBondContact N-O 3.46Å; I361-K364 PolarHBondContact O-N 3.44Å; I361-Y366 HydrophobicContact CB-CD2 3.81Å; I361-Y366 HydrophobicContact CB-CE2 3.79Å; I361-Y366 HydrophobicContact CD1-CD2 4.03Å; I361-Y366 HydrophobicContact CD1-CG 4.32Å; I361-Y366 HydrophobicContact CG1-CD2 3.98Å; I361-Y366 HydrophobicContact CG1-CE2 4.45Å; I361-V381 HydrophobicContact CD1-CG2 4.35Å; I361-V381 HydrophobicContact CG2-CG1 3.79Å; I361-F383 HydrophobicContact CG2-CZ 3.92Å
362G88.7Confident91.5Very high47 Ų4750.6 Ų50.649%0.48526%0.264SS..THydrogen-bonded Turntrans59.3-129.6-165.500000110.9
363E87.9Confident90.6Very high202 Ų20250.5 Ų50.594%0.94427%0.274SS*.THydrogen-bonded Turntrans-91.7-5.1-179.6-59.1-175164.600113.7I361I361-E363 PolarHBondContact O-N 2.76Å
364K90.7Very high89.6Confident136 Ų13653.2 Ų53.259%0.59129%0.29SS*.EExtended strand (participates in β ladder)trans-106.9152.7-175.2-68.9-179.8-176.5173.80111.2I361 Y366I361-K364 PolarHBondContact N-O 3.46Å; I361-K364 PolarHBondContact O-N 3.44Å; K364-Y366 HydrophobicContact CB-CD2 4.42Å; K364-Y366 HydrophobicContact CB-CE2 3.57Å
365T91.4Very high88.3Confident33 Ų3349.9 Ų49.920%0.20228%0.275CS..EExtended strand (participates in β ladder)trans-102.4138.8173.8-31.40000110Q230 L358 V359 Q360Q230-T365 PolarHBondContact NE2-OG1 2.94Å; Q230-T365 VanDerWaalsContact NE2-OG1 3.11Å; L358-T365 HydrophobicContact CB-CG2 4.04Å; L358-T365 HydrophobicContact CD1-CG2 4.28Å; L358-T365 HydrophobicContact CD2-CG2 3.82Å; L358-T365 HydrophobicContact CG-CG2 4.29Å; V359-T365 CarbonylContact O-C 3.6Å; V359-T365 WeakPolarHBondContact O-CA 3.48Å; V359-T365 WeakPolarHBondContact O-CG2 3.39Å; Q360-T365 HydrophobicContact CG-CG2 4.25Å
366Y92.5Very high87.4Confident8 Ų848.7 Ų48.73%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-127.1149.5-179.6-61.6-100.9000109.3I209 L227 P228 L358 V359 I361 K364I209-Y366 HydrophobicContact CD1-CD1 4Å; I209-Y366 HydrophobicContact CD1-CE1 3.93Å; I209-Y366 HydrophobicContact CG1-CE1 4.42Å; I209-Y366 HydrophobicContact CG2-CD1 4.47Å; I209-Y366 HydrophobicContact CG2-CE1 3.51Å; I209-Y366 WeakPolarHBondContact CG2-OH 3.46Å; L227-Y366 CarbonylContact O-C 3.55Å; L227-Y366 WeakPolarHBondContact O-CA 3.47Å; P228-Y366 HydrophobicContact CB-CD1 3.86Å; P228-Y366 HydrophobicContact CB-CE1 3.67Å; L358-Y366 WeakPolarHBondContact CA-O 3.27Å; V359-Y366 PolarHBondContact N-O 3.38Å; V359-Y366 PolarHBondContact O-N 2.85Å; I361-Y366 HydrophobicContact CB-CD2 3.81Å; I361-Y366 HydrophobicContact CB-CE2 3.79Å; I361-Y366 HydrophobicContact CD1-CD2 4.03Å; I361-Y366 HydrophobicContact CD1-CG 4.32Å; I361-Y366 HydrophobicContact CG1-CD2 3.98Å; I361-Y366 HydrophobicContact CG1-CE2 4.45Å; K364-Y366 HydrophobicContact CB-CD2 4.42Å; K364-Y366 HydrophobicContact CB-CE2 3.57Å
367L92.6Very high86.7Confident0 Ų048.7 Ų48.70%027%0.27CS..EExtended strand (participates in β ladder)trans-86.3118.4163.7-76.6164.2000108.4L226 L227 K229 P231 M317 I319 I356 L358 F369L226-L367 WeakPolarHBondContact CA-O 3.34Å; L227-L367 HydrophobicContact CB-CB 4.4Å; L227-L367 PolarHBondContact N-O 2.74Å; L227-L367 PolarHBondContact O-N 3.14Å; K229-L367 HydrophobicContact CB-CD1 4.34Å; K229-L367 WeakPolarHBondContact O-CG 3.43Å; P231-L367 HydrophobicContact CG-CD1 4.43Å; P231-L367 HydrophobicContact CG-CD2 3.99Å; M317-L367 HydrophobicContact CE-CD2 4.35Å; M317-L367 HydrophobicContact SD-CD2 4.28Å; I319-L367 HydrophobicContact CD1-CD1 3.62Å; I319-L367 HydrophobicContact CG1-CD1 3.89Å; I319-L367 HydrophobicContact CG2-CD1 4.43Å; I356-L367 HydrophobicContact CG2-CD2 3.81Å; L358-L367 HydrophobicContact CD2-CD2 3.66Å; L358-L367 HydrophobicContact CD2-CG 3.86Å; L358-L367 HydrophobicContact CG-CD2 4.17Å; L367-F369 HydrophobicContact CB-CE2 4.01Å
368R92.9Very high86.3Confident57 Ų5746.4 Ų46.422%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-95125173.6-179.8-178.3-81.7153.4-2.1109.5D222 L226 I356 E357 V359D222-R368 IonicContact OD1-NE 2.97Å; D222-R368 PolarHBondContact OD1-NE 3.27Å; D222-R368 IonicContact OD2-CZ 3.26Å; D222-R368 IonicContact OD2-NE 3.19Å; D222-R368 PolarHBondContact OD2-NE 3.16Å; D222-R368 IonicContact OD2-NH2 2.64Å; D222-R368 PolarHBondContact OD2-NH2 2.87Å; L226-R368 HydrophobicContact CD2-CB 3.73Å; L226-R368 HydrophobicContact CD2-CG 4Å; I356-R368 VanDerWaalsContact CA-O 3.31Å; I356-R368 WeakPolarHBondContact CA-O 3.05Å; E357-R368 PolarHBondContact N-O 2.83Å; E357-R368 VanDerWaalsContact N-O 3.17Å; E357-R368 PolarHBondContact O-N 3.4Å; V359-R368 HydrophobicContact CG1-CB 3.97Å; V359-R368 HydrophobicContact CG2-CB 3.91Å
369F92.1Very high86.3Confident0 Ų043.8 Ų43.80%025%0.245CC..EExtended strand (participates in β ladder)trans-102.1107.6173-62.3-104.6000108.8G224 F225 L227 I244 I298 I319 L330 L334 I356 L367 V372G224-F369 CarbonylContact C-O 3.55Å; G224-F369 WeakPolarHBondContact CA-O 3.33Å; F225-F369 HydrophobicContact CB-CB 4.36Å; F225-F369 HydrophobicContact CD1-CD2 4.25Å; F225-F369 PolarHBondContact N-O 2.78Å; F225-F369 WeakPolarHBondContact O-CD2 3.2Å; F225-F369 PolarHBondContact O-N 3.39Å; L227-F369 HydrophobicContact CB-CE2 3.91Å; L227-F369 HydrophobicContact CD2-CE2 4.26Å; L227-F369 HydrophobicContact CD2-CZ 4.45Å; I244-F369 HydrophobicContact CD1-CD1 4.39Å; I244-F369 HydrophobicContact CD1-CE1 4.36Å; I298-F369 HydrophobicContact CD1-CE1 4.08Å; I298-F369 HydrophobicContact CD1-CZ 4.11Å; I319-F369 HydrophobicContact CD1-CZ 3.97Å; L330-F369 HydrophobicContact CD2-CD2 4.35Å; L330-F369 HydrophobicContact CD2-CE1 4.28Å; L330-F369 HydrophobicContact CD2-CE2 4.02Å; L330-F369 HydrophobicContact CD2-CZ 3.97Å; L334-F369 HydrophobicContact CD1-CD1 4.45Å; L334-F369 HydrophobicContact CD1-CE1 4.36Å; L334-F369 HydrophobicContact CD2-CD1 3.94Å; I356-F369 HydrophobicContact CD1-CD1 3.67Å; I356-F369 HydrophobicContact CD1-CE1 3.47Å; I356-F369 VanDerWaalsContact CD1-CE1 3.47Å; I356-F369 HydrophobicContact CD1-CZ 4.4Å; I356-F369 HydrophobicContact CG1-CD1 3.7Å; I356-F369 HydrophobicContact CG1-CE1 3.99Å; I356-F369 HydrophobicContact CG1-CG 4.42Å; I356-F369 HydrophobicContact CG2-CE1 4.43Å; L367-F369 HydrophobicContact CB-CE2 4.01Å; F369-V372 HydrophobicContact CB-CG1 4.28Å
370S91.2Very high86.3Confident30 Ų3043 Ų4321%0.2124%0.24CC..EExtended strand (participates in β ladder)trans-110.2154.4-178.2-61.10000111.9D354 L355D354-S370 PolarHBondContact N-O 3.1Å; L355-S370 PolarHBondContact N-O 3.22Å; L355-S370 PolarHBondContact O-N 3Å
371G87.2Confident86.5Confident35 Ų3535.1 Ų35.136%0.36120%0.204SC..SBendtrans66.650.6-178.500000112.4C353 D354C353-G371 WeakPolarHBondContact CA-O 3.45Å; D354-G371 PolarHBondContact N-O 3.06Å; D354-G371 WeakPolarHBondContact OD2-CA 3.19Å
372V83.6Confident86.7Confident22 Ų2234.7 Ų34.713%0.13320%0.201CC..  trans-87.6130.4-176.4-650000110.2V333 L334 C353 F369V333-V372 HydrophobicContact CG1-CB 3.56Å; V333-V372 HydrophobicContact CG1-CG1 3.38Å; V333-V372 HydrophobicContact CG1-CG2 3.84Å; L334-V372 HydrophobicContact CD2-CG1 4.27Å; C353-V372 HydrophobicContact CB-CG1 3.97Å; F369-V372 HydrophobicContact CB-CG1 4.28Å
373P73.5Confident86.9Confident84 Ų8434 Ų3455%0.54519%0.185SC..SBendtrans-75.3-33.3-16625.9-33.5000113.9Y352Y352-P373 WeakPolarHBondContact O-CD 3.24Å
374V70.9Confident87.2Confident57 Ų5724.4 Ų24.435%0.34514%0.141SC..SBendtrans-95-33.6-175.7-173.60000110.9L332 A376L332-V374 WeakPolarHBondContact O-CB 3.44Å; V374-A376 HydrophobicContact CG1-CB 3.8Å; V374-A376 PolarHBondContact O-N 3.46Å; V374-A376 VanDerWaalsContact O-N 3.07Å
375G67.7Low87.2Confident12 Ų1221.6 Ų21.612%0.12414%0.142CC..  trans5917.8177.800000114.7R196 A377R196-G375 VanDerWaalsContact CG-O 3.25Å; R196-G375 WeakPolarHBondContact CG-O 3.38Å; G375-A377 PolarHBondContact O-N 3.11Å
376A74.9Confident87.1Confident5 Ų522.7 Ų22.74%0.04115%0.149CC..  trans-75.7-6.7-171.800000114.7T197 S205 L332 V374T197-A376 WeakPolarHBondContact CG2-O 3.35Å; S205-A376 WeakPolarHBondContact CB-O 3.42Å; L332-A376 HydrophobicContact CB-CB 4.39Å; V374-A376 HydrophobicContact CG1-CB 3.8Å; V374-A376 PolarHBondContact O-N 3.46Å; V374-A376 VanDerWaalsContact O-N 3.07Å
377A80.3Confident87Confident0 Ų028 Ų280%017%0.174CC..  trans-135.7154.2171.100000109.1S205 Q329 V333 G375S205-A377 CarbonylContact O-C 3.58Å; S205-A377 WeakPolarHBondContact O-CA 3.47Å; S205-A377 WeakPolarHBondContact O-CB 3.49Å; Q329-A377 HydrophobicContact CB-CB 4.39Å; V333-A377 HydrophobicContact CG2-CB 3.2Å; G375-A377 PolarHBondContact O-N 3.11Å
378C85.6Confident86.8Confident0 Ų031.5 Ų31.50%019%0.191CC..EExtended strand (participates in β ladder)trans-149165.9-177.263.50000111.4S205 V206 T207 L221S205-C378 PolarHBondContact O-N 3.11Å; S205-C378 VanDerWaalsContact O-N 3.07Å; V206-C378 WeakPolarHBondContact CA-O 3.39Å; T207-C378 PolarHBondContact N-O 3.14Å; L221-C378 HydrophobicContact CD1-CB 3.95Å
379S91Very high86.6Confident0 Ų031.1 Ų31.10%019%0.192CC..EExtended strand (participates in β ladder)trans-119.8126.5179.8-540000110.9T207 D222 L226T207-S379 CarbonylContact O-C 3.58Å; T207-S379 VanDerWaalsContact O-CA 3.24Å; T207-S379 WeakPolarHBondContact O-CA 3.32Å; D222-S379 WeakPolarHBondContact CB-O 3.45Å; D222-S379 PolarHBondContact N-O 2.87Å; L226-S379 PolarHBondContact N-OG 3.49Å
380I94.6Very high86.7Confident0 Ų031.2 Ų31.20%019%0.193CC..EExtended strand (participates in β ladder)trans-100.8125.6171.3-59.8171000107.8A193 V206 T207 V208 I209 L221 V382 L397 L401A193-I380 HydrophobicContact CB-CD1 3.77Å; A193-I380 HydrophobicContact CB-CG1 4.38Å; V206-I380 HydrophobicContact CG1-CD1 3.62Å; V206-I380 HydrophobicContact CG1-CG1 3.93Å; T207-I380 PolarHBondContact O-N 2.89Å; V208-I380 CarbonylContact C-O 3.52Å; V208-I380 WeakPolarHBondContact CA-O 3.32Å; I209-I380 PolarHBondContact N-O 3.43Å; L221-I380 HydrophobicContact CD1-CG1 3.62Å; I380-V382 HydrophobicContact CG2-CG2 4.07Å; I380-L397 HydrophobicContact CB-CD2 4.14Å; I380-L397 HydrophobicContact CD1-CD1 4.2Å; I380-L397 HydrophobicContact CD1-CD2 3.72Å; I380-L397 HydrophobicContact CD1-CG 4.25Å; I380-L397 HydrophobicContact CG2-CD2 3.75Å; I380-L401 HydrophobicContact CD1-CD1 4.5Å
381V95.4Very high86.7Confident0 Ų031.8 Ų31.80%019%0.194CC..EExtended strand (participates in β ladder)trans-94.9122.4175-174.40000108.3I209 V211 S219 Y220 L226 I361 F383I209-V381 HydrophobicContact CB-CG2 4.49Å; V211-V381 HydrophobicContact CG2-CG1 3.64Å; S219-V381 CarbonylContact C-O 3.59Å; S219-V381 WeakPolarHBondContact CA-O 3.5Å; S219-V381 VanDerWaalsContact CB-O 3.24Å; S219-V381 WeakPolarHBondContact CB-O 3.42Å; Y220-V381 HydrophobicContact CD1-CB 4.42Å; Y220-V381 HydrophobicContact CE1-CB 4.08Å; Y220-V381 HydrophobicContact CE1-CG1 4.34Å; Y220-V381 HydrophobicContact CE1-CG2 4.38Å; Y220-V381 HydrophobicContact CE2-CB 4.39Å; Y220-V381 HydrophobicContact CE2-CG2 4Å; Y220-V381 PolarHBondContact N-O 3.15Å; Y220-V381 PolarHBondContact O-N 3.39Å; L226-V381 HydrophobicContact CD1-CG2 3.5Å; I361-V381 HydrophobicContact CD1-CG2 4.35Å; I361-V381 HydrophobicContact CG2-CG1 3.79Å; V381-F383 HydrophobicContact CB-CE2 4.42Å; V381-F383 HydrophobicContact CG1-CD2 4.09Å; V381-F383 HydrophobicContact CG1-CE2 3.51Å; V381-F383 HydrophobicContact CG1-CZ 3.98Å
382V95.6Very high86.8Confident0 Ų030.2 Ų30.20%018%0.177CC..EExtended strand (participates in β ladder)trans-113.6120179.7179.80000109.4F186 V208 I209 V211 L216 S219 I380 V390 A393 L397F186-V382 HydrophobicContact CE1-CG1 4.47Å; F186-V382 HydrophobicContact CE1-CG2 4.37Å; V208-V382 HydrophobicContact CG1-CB 4.31Å; V208-V382 HydrophobicContact CG1-CG2 3.64Å; I209-V382 PolarHBondContact O-N 3.07Å; V211-V382 PolarHBondContact N-O 3.21Å; L216-V382 HydrophobicContact CD2-CG1 4.25Å; S219-V382 WeakPolarHBondContact OG-CA 3.44Å; I380-V382 HydrophobicContact CG2-CG2 4.07Å; V382-V390 HydrophobicContact CG1-CG1 4.39Å; V382-A393 HydrophobicContact CG1-CB 3.79Å; V382-L397 HydrophobicContact CG2-CD2 4.13Å
383F94.3Very high87.2Confident33 Ų3329.2 Ų29.215%0.14517%0.171CC..EExtended strand (participates in β ladder)trans-97.2153.1174.8-72-90.7000110.7V211 S215 L216 D218 S219 Y220 I361 V381V211-F383 HydrophobicContact CB-CD1 3.77Å; V211-F383 HydrophobicContact CB-CE1 3.81Å; V211-F383 HydrophobicContact CB-CG 4.34Å; V211-F383 HydrophobicContact CB-CZ 4.38Å; V211-F383 HydrophobicContact CG1-CD1 3.69Å; V211-F383 HydrophobicContact CG1-CE1 3.44Å; V211-F383 VanDerWaalsContact CG1-CE1 3.44Å; V211-F383 HydrophobicContact CG1-CZ 4.27Å; V211-F383 HydrophobicContact CG2-CE1 4.35Å; V211-F383 HydrophobicContact CG2-CZ 4.48Å; V211-F383 WeakPolarHBondContact O-CA 3.31Å; S215-F383 WeakPolarHBondContact O-CB 3.42Å; L216-F383 WeakPolarHBondContact CA-O 3.5Å; L216-F383 VanDerWaalsContact CD2-O 3.27Å; L216-F383 WeakPolarHBondContact CD2-O 3.43Å; D218-F383 HydrophobicContact CB-CB 4.35Å; D218-F383 HydrophobicContact CB-CD2 4.07Å; D218-F383 HydrophobicContact CB-CG 4.25Å; D218-F383 WeakPolarHBondContact O-CD2 3.09Å; S219-F383 PolarHBondContact OG-N 3.28Å; S219-F383 VanDerWaalsContact OG-N 3.1Å; Y220-F383 HydrophobicContact CD1-CE2 4.32Å; Y220-F383 AromaticContact CE1-CE2 3.95Å; Y220-F383 HydrophobicContact CE1-CE2 3.95Å; I361-F383 HydrophobicContact CG2-CZ 3.92Å; V381-F383 HydrophobicContact CB-CE2 4.42Å; V381-F383 HydrophobicContact CG1-CD2 4.09Å; V381-F383 HydrophobicContact CG1-CE2 3.51Å; V381-F383 HydrophobicContact CG1-CZ 3.98Å
384G92.8Very high88.1Confident1 Ų128 Ų281%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-174.8155.717300000113.7V211 G213 T386 V390V211-G384 PolarHBondContact O-N 3.42Å; G213-G384 PolarHBondContact N-O 3.46Å; G213-G384 PolarHBondContact O-N 2.96Å; G213-G384 VanDerWaalsContact O-N 3.16Å; G384-T386 VanDerWaalsContact C-N 3.35Å; G384-T386 PolarHBondContact O-N 3.45Å; G384-V390 VanDerWaalsContact CA-CG2 3.42Å
385A91.4Very high89Confident76 Ų7627.3 Ų27.363%0.62815%0.149SC*.SBendtrans-68.9-31.2-171.800000113.7
386T90Very high90.1Very high57 Ų5726.8 Ų26.835%0.3514%0.143SC..SBendtrans-136.1153.4-177.364.90000110.5G384 Q388 I389 V390G384-T386 VanDerWaalsContact C-N 3.35Å; G384-T386 PolarHBondContact O-N 3.45Å; T386-Q388 PolarHBondContact O-N 3.41Å; T386-I389 PolarHBondContact O-N 3.31Å; T386-I389 VanDerWaalsContact O-N 3.13Å; T386-I389 WeakPolarHBondContact OG1-CD1 3.49Å; T386-I389 VanDerWaalsContact OG1-CG1 3.26Å; T386-I389 WeakPolarHBondContact OG1-CG1 3.41Å; T386-I389 PolarHBondContact OG1-N 2.9Å; T386-V390 WeakPolarHBondContact O-CG2 3.26Å; T386-V390 PolarHBondContact O-N 3.08Å; T386-V390 VanDerWaalsContact O-N 3.09Å
387E89.1Confident91Very high118 Ų11826.5 Ų26.555%0.55114%0.141SC*.Hα-helixtrans-58-38.4178.5-171172.2-165.600111.6L212 I389 V390 D391L212-E387 HydrophobicContact CD2-CB 3.99Å; E387-I389 PolarHBondContact O-N 3.34Å; E387-V390 PolarHBondContact O-N 3.32Å; E387-D391 WeakPolarHBondContact O-CB 3.48Å; E387-D391 PolarHBondContact O-N 2.95Å
388Q88.2Confident91.4Very high75 Ų7530.3 Ų30.335%0.3516%0.159SC..Hα-helixtrans-60.8-42.5177.1-61.181.84.400112.3T386 E392T386-Q388 PolarHBondContact O-N 3.41Å; Q388-E392 WeakPolarHBondContact O-CB 2.99Å; Q388-E392 PolarHBondContact O-N 3.02Å; Q388-E392 VanDerWaalsContact O-N 3.09Å
389I90.3Very high91.7Very high48 Ų4830.4 Ų30.425%0.24616%0.16CC..Hα-helixtrans-67.4-43.4178.8-69.3170000110.3I178 L216 T386 E387 E392 A393I178-I389 HydrophobicContact CD1-CB 4.23Å; I178-I389 HydrophobicContact CD1-CG1 3.82Å; I178-I389 HydrophobicContact CD1-CG2 4.23Å; L216-I389 HydrophobicContact CD1-CG2 3.72Å; L216-I389 HydrophobicContact CD2-CG2 4.09Å; L216-I389 HydrophobicContact CG-CG2 4.01Å; T386-I389 PolarHBondContact O-N 3.31Å; T386-I389 VanDerWaalsContact O-N 3.13Å; T386-I389 WeakPolarHBondContact OG1-CD1 3.49Å; T386-I389 VanDerWaalsContact OG1-CG1 3.26Å; T386-I389 WeakPolarHBondContact OG1-CG1 3.41Å; T386-I389 PolarHBondContact OG1-N 2.9Å; E387-I389 PolarHBondContact O-N 3.34Å; I389-E392 PolarHBondContact O-N 3.4Å; I389-A393 VanDerWaalsContact O-CB 3.24Å; I389-A393 WeakPolarHBondContact O-CB 3.11Å; I389-A393 PolarHBondContact O-N 3.06Å
390V92.8Very high91.8Very high2 Ų230.4 Ų30.41%0.01216%0.16CC..Hα-helixtrans-68.6-42.3-177.9-179.30000111.2K210 L212 V382 G384 T386 E387 E392 A393 E394K210-V390 HydrophobicContact CB-CG1 3.51Å; K210-V390 HydrophobicContact CD-CG1 3.8Å; K210-V390 HydrophobicContact CG-CG1 3.56Å; L212-V390 HydrophobicContact CD2-CG2 4.37Å; V382-V390 HydrophobicContact CG1-CG1 4.39Å; G384-V390 VanDerWaalsContact CA-CG2 3.42Å; T386-V390 WeakPolarHBondContact O-CG2 3.26Å; T386-V390 PolarHBondContact O-N 3.08Å; T386-V390 VanDerWaalsContact O-N 3.09Å; E387-V390 PolarHBondContact O-N 3.32Å; V390-E392 VanDerWaalsContact C-N 3.33Å; V390-E392 PolarHBondContact O-N 3.34Å; V390-A393 PolarHBondContact O-N 2.85Å; V390-E394 WeakPolarHBondContact O-CB 3.26Å; V390-E394 PolarHBondContact O-N 3.42Å
391D90.6Very high91.7Very high43 Ų4330.7 Ų30.723%0.2316%0.161CC..Hα-helixtrans-63.8-37.8176-78.7-10000112.3K210 E387 R395K210-D391 WeakPolarHBondContact CD-OD1 3.33Å; K210-D391 IonicContact NZ-OD1 2.83Å; K210-D391 PolarHBondContact NZ-OD1 2.86Å; E387-D391 WeakPolarHBondContact O-CB 3.48Å; E387-D391 PolarHBondContact O-N 2.95Å; D391-R395 PolarHBondContact O-N 3.31Å; D391-R395 VanDerWaalsContact O-N 3.12Å
392E90.2Very high91.4Very high2 Ų231.3 Ų31.31%0.00917%0.165CC..Hα-helixtrans-76.7-32.9177.8-168.864.8179.700112.2T70 I178 Q388 I389 V390 R395 S396T70-E392 WeakPolarHBondContact CA-OE1 3.46Å; T70-E392 WeakPolarHBondContact CB-OE1 3.5Å; T70-E392 WeakPolarHBondContact CB-OE2 3.39Å; T70-E392 PolarHBondContact OG1-OE1 3Å; T70-E392 PolarHBondContact OG1-OE2 3.4Å; I178-E392 HydrophobicContact CB-CG 4.05Å; I178-E392 HydrophobicContact CD1-CB 4.5Å; I178-E392 HydrophobicContact CG2-CB 3.95Å; I178-E392 HydrophobicContact CG2-CG 3.7Å; Q388-E392 WeakPolarHBondContact O-CB 2.99Å; Q388-E392 PolarHBondContact O-N 3.02Å; Q388-E392 VanDerWaalsContact O-N 3.09Å; I389-E392 PolarHBondContact O-N 3.4Å; V390-E392 VanDerWaalsContact C-N 3.33Å; V390-E392 PolarHBondContact O-N 3.34Å; E392-R395 PolarHBondContact O-N 3.49Å; E392-R395 IonicContact OE2-CZ 2.64Å; E392-R395 IonicContact OE2-NH1 3.48Å; E392-R395 PolarHBondContact OE2-NH1 2.77Å; E392-R395 IonicContact OE2-NH2 3.61Å; E392-S396 VanDerWaalsContact O-CB 3.28Å; E392-S396 WeakPolarHBondContact O-CB 3.47Å; E392-S396 PolarHBondContact O-N 2.98Å; E392-S396 PolarHBondContact O-OG 3.35Å
393A92.7Very high91.3Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-65.1-44.6171.200000111.8L179 L216 V382 I389 V390 R395 S396 L397L179-A393 HydrophobicContact CD1-CB 4.33Å; L179-A393 HydrophobicContact CD2-CB 3.78Å; L179-A393 HydrophobicContact CG-CB 4.26Å; L216-A393 HydrophobicContact CD2-CB 3.75Å; V382-A393 HydrophobicContact CG1-CB 3.79Å; I389-A393 VanDerWaalsContact O-CB 3.24Å; I389-A393 WeakPolarHBondContact O-CB 3.11Å; I389-A393 PolarHBondContact O-N 3.06Å; V390-A393 PolarHBondContact O-N 2.85Å; A393-R395 PolarHBondContact O-N 3.27Å; A393-S396 PolarHBondContact O-N 3.48Å; A393-L397 VanDerWaalsContact O-CB 3.26Å; A393-L397 WeakPolarHBondContact O-CB 3.29Å; A393-L397 PolarHBondContact O-N 3.46Å
394E92.4Very high91.2Very high58 Ų5829.9 Ų29.927%0.27116%0.159SC..Hα-helixtrans-55.9-49.5173.1172.3-177.8-141.600111V208 K210 V390 L397 H398V208-E394 HydrophobicContact CB-CG 4.03Å; V208-E394 HydrophobicContact CG1-CB 4.05Å; V208-E394 HydrophobicContact CG1-CG 3.92Å; K210-E394 HydrophobicContact CD-CB 4.3Å; K210-E394 WeakPolarHBondContact CD-OE2 3.32Å; K210-E394 WeakPolarHBondContact CE-OE2 3.23Å; K210-E394 HydrophobicContact CG-CB 4.44Å; K210-E394 IonicContact NZ-OE2 2.8Å; K210-E394 PolarHBondContact NZ-OE2 2.7Å; V390-E394 WeakPolarHBondContact O-CB 3.26Å; V390-E394 PolarHBondContact O-N 3.42Å; E394-L397 PolarHBondContact O-N 3.26Å; E394-H398 WeakPolarHBondContact O-CB 3.34Å; E394-H398 PolarHBondContact O-N 2.88Å
395R89.4Confident91.1Very high44 Ų4430.8 Ų30.817%0.16617%0.165CC..Hα-helixtrans-62.8-48.9178.8-171176.3-53.9112.533.5111.9K68 T70 T75 D391 E392 A393 L397 H398 D399K68-R395 VanDerWaalsContact CE-CZ 3.47Å; K68-R395 VanDerWaalsContact NZ-CZ 3.27Å; T70-R395 PolarHBondContact OG1-NH1 2.75Å; T75-R395 VanDerWaalsContact OG1-CD 3.32Å; T75-R395 WeakPolarHBondContact OG1-CD 3.49Å; T75-R395 VanDerWaalsContact OG1-CZ 3.31Å; T75-R395 PolarHBondContact OG1-NE 3.3Å; T75-R395 VanDerWaalsContact OG1-NE 3.1Å; T75-R395 PolarHBondContact OG1-NH1 2.88Å; T75-R395 VanDerWaalsContact OG1-NH1 3.13Å; D391-R395 PolarHBondContact O-N 3.31Å; D391-R395 VanDerWaalsContact O-N 3.12Å; E392-R395 PolarHBondContact O-N 3.49Å; E392-R395 IonicContact OE2-CZ 2.64Å; E392-R395 IonicContact OE2-NH1 3.48Å; E392-R395 PolarHBondContact OE2-NH1 2.77Å; E392-R395 IonicContact OE2-NH2 3.61Å; A393-R395 PolarHBondContact O-N 3.27Å; R395-L397 PolarHBondContact O-N 2.66Å; R395-H398 WeakPolarHBondContact O-CB 3.46Å; R395-H398 PolarHBondContact O-N 3.3Å; R395-D399 PolarHBondContact O-N 3.4Å
396S91.5Very high90.9Very high0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-56.5-38.6179.2-61.20000112L174 K177 E392 A393 A400L174-S396 VanDerWaalsContact CD2-O 3.3Å; L174-S396 WeakPolarHBondContact CD2-O 3.31Å; K177-S396 WeakPolarHBondContact CB-OG 3.37Å; K177-S396 WeakPolarHBondContact CD-OG 3.27Å; E392-S396 VanDerWaalsContact O-CB 3.28Å; E392-S396 WeakPolarHBondContact O-CB 3.47Å; E392-S396 PolarHBondContact O-N 2.98Å; E392-S396 PolarHBondContact O-OG 3.35Å; A393-S396 PolarHBondContact O-N 3.48Å; S396-A400 PolarHBondContact O-N 2.83Å; S396-A400 VanDerWaalsContact O-N 3.15Å
397L92.4Very high91Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-70.8-42.5176.5-177.862.2000112.1A190 V208 I380 V382 A393 E394 R395 D399 A400 L401A190-L397 HydrophobicContact CB-CD1 3.82Å; V208-L397 HydrophobicContact CG1-CD2 4.33Å; V208-L397 HydrophobicContact CG2-CD2 3.86Å; V208-L397 HydrophobicContact CG2-CG 4.49Å; I380-L397 HydrophobicContact CB-CD2 4.14Å; I380-L397 HydrophobicContact CD1-CD1 4.2Å; I380-L397 HydrophobicContact CD1-CD2 3.72Å; I380-L397 HydrophobicContact CD1-CG 4.25Å; I380-L397 HydrophobicContact CG2-CD2 3.75Å; V382-L397 HydrophobicContact CG2-CD2 4.13Å; A393-L397 VanDerWaalsContact O-CB 3.26Å; A393-L397 WeakPolarHBondContact O-CB 3.29Å; A393-L397 PolarHBondContact O-N 3.46Å; E394-L397 PolarHBondContact O-N 3.26Å; R395-L397 PolarHBondContact O-N 2.66Å; L397-D399 VanDerWaalsContact C-N 3.32Å; L397-D399 PolarHBondContact O-N 2.85Å; L397-A400 PolarHBondContact O-N 3.02Å; L397-L401 HydrophobicContact CG-CD1 4.15Å; L397-L401 WeakPolarHBondContact O-CB 3.45Å; L397-L401 VanDerWaalsContact O-CG 3.24Å; L397-L401 WeakPolarHBondContact O-CG 3.24Å; L397-L401 PolarHBondContact O-N 3.13Å
398H90Very high91Very high79 Ų7921.9 Ų21.937%0.36611%0.108SC..Hα-helixtrans-56.4-47173.4174.1-87.4000111.4E394 R395 A400 L401 C402E394-H398 WeakPolarHBondContact O-CB 3.34Å; E394-H398 PolarHBondContact O-N 2.88Å; R395-H398 WeakPolarHBondContact O-CB 3.46Å; R395-H398 PolarHBondContact O-N 3.3Å; H398-A400 PolarHBondContact O-N 2.96Å; H398-L401 WeakPolarHBondContact O-CB 3.18Å; H398-L401 PolarHBondContact O-N 3.19Å; H398-L401 VanDerWaalsContact O-N 3.13Å; H398-C402 PolarHBondContact CE1-SG 3.36Å; H398-C402 PolarHBondContact O-N 3.44Å; H398-C402 PolarHBondContact O-SG 2.67Å
399D91Very high91Very high3 Ų325.3 Ų25.32%0.01612%0.122CC..Hα-helixtrans-62-44.6179.5-60.6-9.1000111.3G102 T173 K177 R395 L397 L401 C402 V403G102-D399 WeakPolarHBondContact O-CB 3.35Å; T173-D399 HydrophobicContact CG2-CB 4.5Å; K177-D399 VanDerWaalsContact NZ-CG 3.31Å; K177-D399 IonicContact NZ-OD2 3.21Å; K177-D399 PolarHBondContact NZ-OD2 3.2Å; R395-D399 PolarHBondContact O-N 3.4Å; L397-D399 VanDerWaalsContact C-N 3.32Å; L397-D399 PolarHBondContact O-N 2.85Å; D399-L401 VanDerWaalsContact C-N 3.33Å; D399-L401 PolarHBondContact O-N 2.8Å; D399-C402 PolarHBondContact O-N 3.41Å; D399-V403 VanDerWaalsContact O-CG2 3.32Å; D399-V403 WeakPolarHBondContact O-CG2 3.4Å; D399-V403 PolarHBondContact O-N 3.36Å
400A92.8Very high90.9Very high0 Ų025.6 Ų25.60%012%0.122CC..Hα-helixtrans-60-43.3174.100000111.6T173 L174 A190 S396 L397 H398 V403 L404T173-A400 HydrophobicContact CG2-CB 4.32Å; L174-A400 HydrophobicContact CD2-CB 4.04Å; L174-A400 HydrophobicContact CG-CB 4.12Å; A190-A400 HydrophobicContact CB-CB 4.25Å; S396-A400 PolarHBondContact O-N 2.83Å; S396-A400 VanDerWaalsContact O-N 3.15Å; L397-A400 PolarHBondContact O-N 3.02Å; H398-A400 PolarHBondContact O-N 2.96Å; A400-V403 PolarHBondContact O-N 3.13Å; A400-L404 WeakPolarHBondContact O-CB 3.38Å; A400-L404 WeakPolarHBondContact O-CG 3.24Å; A400-L404 PolarHBondContact O-N 3.39Å
401L92.6Very high90.9Very high6 Ų626.9 Ų26.93%0.03113%0.133CC..Hα-helixtrans-62.5-44.4177-71.3166.5000111.8A190 A193 A194 V206 I380 L397 H398 D399 L404 S405A190-L401 HydrophobicContact CB-CD2 4.31Å; A190-L401 WeakPolarHBondContact O-CD2 3.4Å; A193-L401 HydrophobicContact CB-CD2 4.03Å; A194-L401 HydrophobicContact CB-CD2 4.35Å; V206-L401 HydrophobicContact CB-CD1 3.85Å; V206-L401 HydrophobicContact CG1-CD1 3.71Å; V206-L401 HydrophobicContact CG2-CD1 4.28Å; V206-L401 HydrophobicContact CG2-CD2 4.18Å; I380-L401 HydrophobicContact CD1-CD1 4.5Å; L397-L401 HydrophobicContact CG-CD1 4.15Å; L397-L401 WeakPolarHBondContact O-CB 3.45Å; L397-L401 VanDerWaalsContact O-CG 3.24Å; L397-L401 WeakPolarHBondContact O-CG 3.24Å; L397-L401 PolarHBondContact O-N 3.13Å; H398-L401 WeakPolarHBondContact O-CB 3.18Å; H398-L401 PolarHBondContact O-N 3.19Å; H398-L401 VanDerWaalsContact O-N 3.13Å; D399-L401 VanDerWaalsContact C-N 3.33Å; D399-L401 PolarHBondContact O-N 2.8Å; L401-L404 PolarHBondContact O-N 3.27Å; L401-S405 WeakPolarHBondContact O-CB 3.2Å; L401-S405 PolarHBondContact O-N 2.85Å; L401-S405 PolarHBondContact O-OG 3.36Å; L401-S405 VanDerWaalsContact O-OG 3.06Å
402C90.2Very high91.1Very high13 Ų1328 Ų289%0.08814%0.136CC..Hα-helixtrans-58.3-49.3175.4-74.70000111.9H398 D399 L404 S405 I406H398-C402 PolarHBondContact CE1-SG 3.36Å; H398-C402 PolarHBondContact O-N 3.44Å; H398-C402 PolarHBondContact O-SG 2.67Å; D399-C402 PolarHBondContact O-N 3.41Å; C402-L404 VanDerWaalsContact C-N 3.33Å; C402-L404 PolarHBondContact O-N 3.04Å; C402-S405 PolarHBondContact O-N 2.73Å; C402-I406 WeakPolarHBondContact O-CG1 3.43Å; C402-I406 PolarHBondContact O-N 3.33Å
403V92.5Very high91.3Very high2 Ų228.1 Ų28.11%0.01214%0.137CC..Hα-helixtrans-60.1-44177.9173.30000111.1D103 I169 T173 D399 A400 I406 H407 V506D103-V403 HydrophobicContact CB-CG2 3.37Å; I169-V403 HydrophobicContact CG2-CG1 3.51Å; T173-V403 HydrophobicContact CG2-CG2 4.36Å; D399-V403 VanDerWaalsContact O-CG2 3.32Å; D399-V403 WeakPolarHBondContact O-CG2 3.4Å; D399-V403 PolarHBondContact O-N 3.36Å; A400-V403 PolarHBondContact O-N 3.13Å; V403-I406 PolarHBondContact O-N 3.09Å; V403-H407 WeakPolarHBondContact O-CB 3.39Å; V403-H407 PolarHBondContact O-N 3.01Å; V403-V506 HydrophobicContact CG1-CG2 4.25Å; V403-V506 HydrophobicContact CG2-CG2 4.08Å
404L92.8Very high91.5Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-64.9-45.3178.1-68.8173.3000112L166 A170 A190 V191 A194 A400 L401 C402 I406 H407 M408L166-L404 HydrophobicContact CB-CD2 3.86Å; L166-L404 HydrophobicContact CD2-CD2 3.67Å; L166-L404 HydrophobicContact CG-CD2 4.32Å; L166-L404 WeakPolarHBondContact O-CD2 3.43Å; A170-L404 HydrophobicContact CB-CD1 4.19Å; A170-L404 HydrophobicContact CB-CD2 4.26Å; A170-L404 HydrophobicContact CB-CG 4.49Å; A190-L404 HydrophobicContact CB-CD1 3.82Å; V191-L404 HydrophobicContact CG2-CD1 4.01Å; V191-L404 HydrophobicContact CG2-CD2 4.31Å; A194-L404 HydrophobicContact CB-CB 3.96Å; A194-L404 HydrophobicContact CB-CD1 4.06Å; A400-L404 WeakPolarHBondContact O-CB 3.38Å; A400-L404 WeakPolarHBondContact O-CG 3.24Å; A400-L404 PolarHBondContact O-N 3.39Å; L401-L404 PolarHBondContact O-N 3.27Å; C402-L404 VanDerWaalsContact C-N 3.33Å; C402-L404 PolarHBondContact O-N 3.04Å; L404-I406 VanDerWaalsContact C-N 3.27Å; L404-I406 PolarHBondContact O-N 3.46Å; L404-H407 PolarHBondContact O-N 3.38Å; L404-M408 WeakPolarHBondContact O-CB 3.39Å; L404-M408 WeakPolarHBondContact O-CG 3.36Å; L404-M408 PolarHBondContact O-N 3.3Å
405S89.7Confident91.8Very high21 Ų2126.4 Ų26.415%0.14713%0.129CC..Hα-helixtrans-58.6-39.7177-66.80000111.9L401 C402 M408 K409L401-S405 WeakPolarHBondContact O-CB 3.2Å; L401-S405 PolarHBondContact O-N 2.85Å; L401-S405 PolarHBondContact O-OG 3.36Å; L401-S405 VanDerWaalsContact O-OG 3.06Å; C402-S405 PolarHBondContact O-N 2.73Å; S405-M408 PolarHBondContact O-N 3.1Å; S405-K409 WeakPolarHBondContact O-CG 3.46Å; S405-K409 PolarHBondContact O-N 3.3Å
406I88.8Confident92.1Very high28 Ų2824.3 Ų24.314%0.14412%0.121CC..Hα-helixtrans-72.9-42.6178.2-70.4167000111.5E100 V101 C402 V403 L404 M408 K409 E410 R505E100-I406 VanDerWaalsContact O-CD1 3.27Å; E100-I406 WeakPolarHBondContact O-CD1 3.4Å; V101-I406 HydrophobicContact CB-CD1 3.88Å; V101-I406 HydrophobicContact CG1-CD1 4.09Å; C402-I406 WeakPolarHBondContact O-CG1 3.43Å; C402-I406 PolarHBondContact O-N 3.33Å; V403-I406 PolarHBondContact O-N 3.09Å; L404-I406 VanDerWaalsContact C-N 3.27Å; L404-I406 PolarHBondContact O-N 3.46Å; I406-M408 PolarHBondContact O-N 3.1Å; I406-K409 WeakPolarHBondContact O-CB 3.24Å; I406-K409 PolarHBondContact O-N 2.75Å; I406-E410 PolarHBondContact O-N 3.19Å; I406-R505 HydrophobicContact CG2-CB 3.76Å; I406-R505 HydrophobicContact CG2-CG 3.46Å; I406-R505 VanDerWaalsContact CG2-CG 3.46Å
407H91.3Very high92.2Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-60.3-36174.3-170.476.8000111.7S155 I169 V403 L404 K409 E410 A411 K412 V413S155-H407 PolarHBondContact OG-CE1 2.89Å; S155-H407 PolarHBondContact OG-NE2 2.77Å; I169-H407 HydrophobicContact CD1-CB 4.43Å; I169-H407 WeakPolarHBondContact CD1-CE1 3.35Å; I169-H407 WeakPolarHBondContact CD1-ND1 3.29Å; V403-H407 WeakPolarHBondContact O-CB 3.39Å; V403-H407 PolarHBondContact O-N 3.01Å; L404-H407 PolarHBondContact O-N 3.38Å; H407-K409 PolarHBondContact O-N 3.23Å; H407-E410 CarbonylContact O-C 3.53Å; H407-E410 PolarHBondContact O-N 3.3Å; H407-A411 WeakPolarHBondContact O-CA 3.37Å; H407-A411 PolarHBondContact O-N 3.11Å; H407-K412 PolarHBondContact CE1-O 3.21Å; H407-K412 VanDerWaalsContact CE1-O 3.3Å; H407-K412 PolarHBondContact ND1-O 2.98Å; H407-V413 VanDerWaalsContact CE1-CG2 3.46Å; H407-V413 WeakPolarHBondContact CE1-CG2 3.49Å
408M88.7Confident92.4Very high36 Ų3625 Ų2518%0.17713%0.128CC..Hα-helixtrans-67.4-24.9175.5-71.4169.262.500113.2F162 L166 A194 L195 K198 L404 S405 I406F162-M408 HydrophobicContact CE1-CG 4.28Å; F162-M408 HydrophobicContact CZ-CG 3.99Å; L166-M408 HydrophobicContact CD1-CG 4.46Å; L166-M408 HydrophobicContact CD1-SD 4.47Å; L166-M408 HydrophobicContact CD2-CG 4.04Å; A194-M408 HydrophobicContact CB-SD 4.1Å; L195-M408 HydrophobicContact CD2-CE 4.38Å; K198-M408 HydrophobicContact CB-CE 3.47Å; K198-M408 VanDerWaalsContact CB-CE 3.47Å; K198-M408 HydrophobicContact CD-CE 3.63Å; K198-M408 HydrophobicContact CG-CE 3.35Å; L404-M408 WeakPolarHBondContact O-CB 3.39Å; L404-M408 WeakPolarHBondContact O-CG 3.36Å; L404-M408 PolarHBondContact O-N 3.3Å; S405-M408 PolarHBondContact O-N 3.1Å; I406-M408 PolarHBondContact O-N 3.1Å
409K87.4Confident92.7Very high147 Ų14721.4 Ų21.464%0.63911%0.112SC*.Hα-helixtrans-80.3-43.4172.9-67.2174-176.41770111.8E201 S405 I406 H407E201-K409 WeakPolarHBondContact O-CE 3.45Å; E201-K409 PolarHBondContact O-NZ 3.43Å; S405-K409 WeakPolarHBondContact O-CG 3.46Å; S405-K409 PolarHBondContact O-N 3.3Å; I406-K409 WeakPolarHBondContact O-CB 3.24Å; I406-K409 PolarHBondContact O-N 2.75Å; H407-K409 PolarHBondContact O-N 3.23Å
410E89.6Confident93Very high53 Ų5321.4 Ų21.425%0.24811%0.112CC..SBendtrans-125.188.2174.2-171.8175.5-166.200110.2I406 H407 K412 Y504I406-E410 PolarHBondContact O-N 3.19Å; H407-E410 CarbonylContact O-C 3.53Å; H407-E410 PolarHBondContact O-N 3.3Å; E410-K412 HydrophobicContact CG-CD 4.16Å; E410-K412 HydrophobicContact CG-CG 4.32Å; E410-K412 PolarHBondContact O-N 3.05Å; E410-K412 IonicContact OE1-NZ 3.69Å; E410-K412 PolarHBondContact OE1-NZ 3.19Å; E410-Y504 WeakPolarHBondContact OE1-CE1 3.28Å
411A91.5Very high93.3Very high30 Ų3021.8 Ų21.825%0.24811%0.114CC..  trans-73.956.9-171.500000113.7S155 F162 H407S155-A411 WeakPolarHBondContact CB-O 3.23Å; S155-A411 PolarHBondContact N-O 2.93Å; S155-A411 PolarHBondContact OG-O 3.29Å; F162-A411 HydrophobicContact CE2-CB 3.91Å; H407-A411 WeakPolarHBondContact O-CA 3.37Å; H407-A411 PolarHBondContact O-N 3.11Å
412K95.1Very high93.5Very high67 Ų6721.5 Ų21.529%0.29111%0.112SC..EExtended strand (participates in β ladder)trans-116.2128.2178.2-70.9178.2-169.41570110.5A152 R153 V154 H407 E410 Y504A152-K412 HydrophobicContact CB-CB 4.41Å; R153-K412 CarbonylContact O-C 3.56Å; R153-K412 WeakPolarHBondContact O-CA 3.39Å; V154-K412 HydrophobicContact CG2-CG 4.44Å; H407-K412 PolarHBondContact CE1-O 3.21Å; H407-K412 VanDerWaalsContact CE1-O 3.3Å; H407-K412 PolarHBondContact ND1-O 2.98Å; E410-K412 HydrophobicContact CG-CD 4.16Å; E410-K412 HydrophobicContact CG-CG 4.32Å; E410-K412 PolarHBondContact O-N 3.05Å; E410-K412 IonicContact OE1-NZ 3.69Å; E410-K412 PolarHBondContact OE1-NZ 3.19Å; K412-Y504 HydrophobicContact CB-CD1 4.03Å; K412-Y504 HydrophobicContact CB-CG 3.93Å; K412-Y504 HydrophobicContact CD-CD1 3.88Å; K412-Y504 HydrophobicContact CD-CE1 4.18Å; K412-Y504 HydrophobicContact CD-CG 4.3Å; K412-Y504 WeakPolarHBondContact O-CB 3.44Å; K412-Y504 PolarHBondContact O-N 3.18Å
413V95.6Very high93.9Very high4 Ų421.1 Ų21.12%0.02411%0.11CC..EExtended strand (participates in β ladder)trans-105138.4-178.9-177.30000109.3A152 R153 D165 I169 H407 Y501A152-V413 CarbonylContact C-O 3.56Å; A152-V413 WeakPolarHBondContact CA-O 3.4Å; R153-V413 PolarHBondContact N-O 3.19Å; R153-V413 PolarHBondContact O-N 3.14Å; D165-V413 HydrophobicContact CB-CG2 4.42Å; I169-V413 HydrophobicContact CD1-CG2 4.26Å; H407-V413 VanDerWaalsContact CE1-CG2 3.46Å; H407-V413 WeakPolarHBondContact CE1-CG2 3.49Å; V413-Y501 HydrophobicContact CG1-CD1 4.1Å; V413-Y501 HydrophobicContact CG1-CD2 3.84Å; V413-Y501 HydrophobicContact CG1-CG 3.59Å
414V96.9Very high94.1Very high2 Ų221.2 Ų21.21%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-120.2170.4164.4-65.40000109.5L148 A152 E502 Y504 K507L148-V414 HydrophobicContact CD1-CB 4.44Å; L148-V414 HydrophobicContact CD1-CG1 3.91Å; L148-V414 HydrophobicContact CG-CG1 4.46Å; A152-V414 HydrophobicContact CB-CG1 3.92Å; V414-E502 HydrophobicContact CG2-CB 4.09Å; V414-E502 PolarHBondContact N-O 3.32Å; V414-E502 PolarHBondContact O-N 3.21Å; V414-Y504 HydrophobicContact CG1-CD2 3.93Å; V414-Y504 HydrophobicContact CG1-CG 4.48Å; V414-K507 HydrophobicContact CG2-CB 4.06Å; V414-K507 HydrophobicContact CG2-CG 4.3Å
415L97Very high94.3Very high20 Ų2021.2 Ų21.211%0.10511%0.111CC..EExtended strand (participates in β ladder)trans-96.1133.1-177.9-60.8176.8000110.5C419 S420 T482 M495 M496 Y501L415-C419 HydrophobicContact CB-CB 3.97Å; L415-S420 PolarHBondContact O-N 2.87Å; L415-S420 PolarHBondContact O-OG 3.03Å; L415-T482 HydrophobicContact CD1-CG2 3.77Å; L415-M495 HydrophobicContact CB-CB 4.03Å; L415-M495 HydrophobicContact CD1-CB 4.34Å; L415-M495 HydrophobicContact CD2-CB 4.34Å; L415-M495 HydrophobicContact CG-CB 4.46Å; L415-M496 HydrophobicContact CD1-CB 4.43Å; L415-M496 HydrophobicContact CD1-CE 4.49Å; L415-M496 HydrophobicContact CD2-CB 4.25Å; L415-Y501 HydrophobicContact CD2-CD1 3.66Å; L415-Y501 HydrophobicContact CD2-CE1 3.63Å
416G95.8Very high94.6Very high0 Ų022.5 Ų22.50%012%0.117CC..THydrogen-bonded Turntrans-82.5-154.6176.900000113.1G418 C419 I500 E502G416-G418 VanDerWaalsContact C-N 3.26Å; G416-G418 PolarHBondContact O-N 3.41Å; G416-C419 WeakPolarHBondContact O-CB 3.48Å; G416-C419 PolarHBondContact O-N 3.16Å; G416-I500 PolarHBondContact N-O 2.92Å; G416-E502 WeakPolarHBondContact CA-OE1 3.34Å
417G94.5Very high95Very high13 Ų1322 Ų2213%0.13412%0.117CC..THydrogen-bonded Turntrans63.228.7177.100000114.1C419 L485G417-C419 PolarHBondContact O-N 2.89Å; G417-L485 PolarHBondContact O-N 3.3Å
418G96.1Very high95.3Very high1 Ų122 Ų221%0.0112%0.117CC..THydrogen-bonded Turntrans74.20.2-17500000114.9G416 S420 E421 V422G416-G418 VanDerWaalsContact C-N 3.26Å; G416-G418 PolarHBondContact O-N 3.41Å; G418-S420 PolarHBondContact O-N 2.84Å; G418-E421 WeakPolarHBondContact CA-OE2 3.36Å; G418-E421 PolarHBondContact O-N 3.32Å; G418-V422 WeakPolarHBondContact O-CG2 3.32Å; G418-V422 PolarHBondContact O-N 3.04Å
419C97.3Very high95.7Very high3 Ų321.4 Ų21.42%0.0212%0.117CC..Hα-helixtrans-59.7-46.8-177.71790000112L415 G416 G417 V422 A423 H476 K481 Y483 M495L415-C419 HydrophobicContact CB-CB 3.97Å; G416-C419 WeakPolarHBondContact O-CB 3.48Å; G416-C419 PolarHBondContact O-N 3.16Å; G417-C419 PolarHBondContact O-N 2.89Å; C419-V422 PolarHBondContact O-N 2.94Å; C419-A423 WeakPolarHBondContact O-CB 3.49Å; C419-A423 PolarHBondContact O-N 2.77Å; C419-H476 PolarHBondContact O-CE1 3.04Å; C419-K481 PolarHBondContact SG-O 2.85Å; C419-Y483 PolarHBondContact SG-O 3.17Å; C419-M495 HydrophobicContact CB-CG 3.91Å
420S97.2Very high96.1Very high3 Ų316.5 Ų16.52%0.02110%0.104CC..Hα-helixtrans-65.6-39.5179.9-65.60000112L415 G418 A423 M424L415-S420 PolarHBondContact O-N 2.87Å; L415-S420 PolarHBondContact O-OG 3.03Å; G418-S420 PolarHBondContact O-N 2.84Å; S420-A423 PolarHBondContact O-N 2.87Å; S420-M424 WeakPolarHBondContact O-CE 3.06Å; S420-M424 WeakPolarHBondContact O-CG 3.06Å; S420-M424 PolarHBondContact O-N 3.31Å
421E98Very high96.4Very high9 Ų916.6 Ų16.64%0.04211%0.108CC..Hα-helixtrans-63.7-44.7176.7-70.984.5171.500112G418 M424 A425 I453 K507G418-E421 WeakPolarHBondContact CA-OE2 3.36Å; G418-E421 PolarHBondContact O-N 3.32Å; E421-M424 HydrophobicContact CG-CE 4.46Å; E421-M424 PolarHBondContact O-N 3.47Å; E421-A425 VanDerWaalsContact O-CB 3.27Å; E421-A425 WeakPolarHBondContact O-CB 3.37Å; E421-A425 PolarHBondContact O-N 2.88Å; E421-I453 HydrophobicContact CG-CB 4Å; E421-I453 HydrophobicContact CG-CG1 4.28Å; E421-I453 HydrophobicContact CG-CG2 4.07Å; E421-K507 VanDerWaalsContact CD-CE 3.41Å; E421-K507 WeakPolarHBondContact OE1-CE 3.14Å; E421-K507 IonicContact OE1-NZ 3.12Å; E421-K507 PolarHBondContact OE1-NZ 3.46Å; E421-K507 WeakPolarHBondContact OE2-CE 3.46Å; E421-K507 IonicContact OE2-NZ 3.07Å; E421-K507 PolarHBondContact OE2-NZ 3.4Å
422V97.8Very high96.7Very high0 Ų015.4 Ų15.40%010%0.098CC..Hα-helixtrans-66.8-38.1176.6179.60000111.4G418 C419 A425 T426 L451 P454 I472 R473 H476G418-V422 WeakPolarHBondContact O-CG2 3.32Å; G418-V422 PolarHBondContact O-N 3.04Å; C419-V422 PolarHBondContact O-N 2.94Å; V422-A425 PolarHBondContact O-N 3.33Å; V422-T426 VanDerWaalsContact O-CB 3.32Å; V422-T426 WeakPolarHBondContact O-CB 3.38Å; V422-T426 PolarHBondContact O-N 3.4Å; V422-T426 PolarHBondContact O-OG1 3.12Å; V422-L451 HydrophobicContact CB-CD2 4.43Å; V422-L451 HydrophobicContact CG1-CD2 4.39Å; V422-L451 HydrophobicContact CG2-CD2 3.9Å; V422-P454 HydrophobicContact CG2-CG 3.94Å; V422-I472 HydrophobicContact CB-CG2 4.07Å; V422-I472 HydrophobicContact CG1-CG2 3.93Å; V422-I472 HydrophobicContact CG2-CB 4.48Å; V422-I472 HydrophobicContact CG2-CG2 3.84Å; V422-R473 HydrophobicContact CG1-CG 4.05Å; V422-H476 HydrophobicContact CG1-CB 4.17Å
423A97.4Very high96.7Very high4 Ų416.8 Ų16.83%0.03312%0.116CC..Hα-helixtrans-60.6-50.3175.500000111.1E147 C419 S420 T426 A427E147-A423 HydrophobicContact CG-CB 4.41Å; C419-A423 WeakPolarHBondContact O-CB 3.49Å; C419-A423 PolarHBondContact O-N 2.77Å; S420-A423 PolarHBondContact O-N 2.87Å; A423-T426 PolarHBondContact O-N 2.97Å; A423-A427 PolarHBondContact O-N 2.85Å
424M97.9Very high96.7Very high4 Ų426.7 Ų26.72%0.0215%0.153CC..Hα-helixtrans-60.8-46176.1-70.9-174.4-67.400111.9C144 L148 S420 E421 T426 A427 V428 L450 L511C144-M424 HydrophobicContact CB-CB 4.3Å; C144-M424 HydrophobicContact CB-CG 4.18Å; C144-M424 HydrophobicContact CB-SD 3.79Å; L148-M424 HydrophobicContact CB-CG 4.44Å; L148-M424 HydrophobicContact CB-SD 4.03Å; L148-M424 HydrophobicContact CD1-SD 4.33Å; S420-M424 WeakPolarHBondContact O-CE 3.06Å; S420-M424 WeakPolarHBondContact O-CG 3.06Å; S420-M424 PolarHBondContact O-N 3.31Å; E421-M424 HydrophobicContact CG-CE 4.46Å; E421-M424 PolarHBondContact O-N 3.47Å; M424-T426 VanDerWaalsContact C-N 3.3Å; M424-T426 PolarHBondContact O-N 3.07Å; M424-A427 PolarHBondContact O-N 2.95Å; M424-V428 WeakPolarHBondContact O-CG2 3.44Å; M424-V428 PolarHBondContact O-N 2.81Å; M424-L450 HydrophobicContact CB-CD1 3.74Å; M424-L450 HydrophobicContact CE-CD2 4.05Å; M424-L511 HydrophobicContact SD-CD1 4.36Å; M424-L511 HydrophobicContact SD-CD2 3.85Å
425A97.6Very high96.6Very high1 Ų127.9 Ų27.91%0.00816%0.16CC..Hα-helixtrans-60-41.1178.100000112E421 V422 V428 S429 A447 L450 L451E421-A425 VanDerWaalsContact O-CB 3.27Å; E421-A425 WeakPolarHBondContact O-CB 3.37Å; E421-A425 PolarHBondContact O-N 2.88Å; V422-A425 PolarHBondContact O-N 3.33Å; A425-V428 PolarHBondContact O-N 3.26Å; A425-S429 WeakPolarHBondContact O-CB 3.28Å; A425-S429 PolarHBondContact O-N 3.45Å; A425-S429 PolarHBondContact O-OG 3.31Å; A425-A447 HydrophobicContact CB-CB 4.16Å; A425-A447 WeakPolarHBondContact CB-O 3.37Å; A425-A447 WeakPolarHBondContact O-CB 3.39Å; A425-L450 HydrophobicContact CB-CB 4.01Å; A425-L450 HydrophobicContact CB-CD1 4.3Å; A425-L451 HydrophobicContact CB-CD1 4.4Å; A425-L451 HydrophobicContact CB-CD2 3.85Å; A425-L451 HydrophobicContact CB-CG 3.77Å
426T96.2Very high96.4Very high47 Ų4732.4 Ų32.429%0.28819%0.191SC..Hα-helixtrans-64.5-44.3177.2-57.80000111.1V422 A423 M424 S429 A430V422-T426 VanDerWaalsContact O-CB 3.32Å; V422-T426 WeakPolarHBondContact O-CB 3.38Å; V422-T426 PolarHBondContact O-N 3.4Å; V422-T426 PolarHBondContact O-OG1 3.12Å; A423-T426 PolarHBondContact O-N 2.97Å; M424-T426 VanDerWaalsContact C-N 3.3Å; M424-T426 PolarHBondContact O-N 3.07Å; T426-S429 PolarHBondContact O-N 2.87Å; T426-A430 WeakPolarHBondContact O-CB 3.26Å; T426-A430 PolarHBondContact O-N 3.12Å
427A96.5Very high96.2Very high17 Ų1735.2 Ų35.214%0.1422%0.22CC..Hα-helixtrans-63.1-46176.600000112V143 E147 A423 M424 S429 A430 V431V143-A427 HydrophobicContact CG1-CB 3.91Å; E147-A427 HydrophobicContact CB-CB 3.85Å; E147-A427 HydrophobicContact CG-CB 3.75Å; A423-A427 PolarHBondContact O-N 2.85Å; M424-A427 PolarHBondContact O-N 2.95Å; A427-S429 PolarHBondContact O-N 2.78Å; A427-A430 PolarHBondContact O-N 3.47Å; A427-V431 WeakPolarHBondContact O-CG2 3.19Å; A427-V431 PolarHBondContact O-N 3.04Å; A427-V431 VanDerWaalsContact O-N 3.1Å
428V97.8Very high96.1Very high0 Ų040.2 Ų40.20%024%0.238CC..Hα-helixtrans-60.7-46.5176.71730000111.1A140 V143 C144 M424 A425 A430 V431 A432 M443 A447A140-V428 HydrophobicContact CB-CG1 3.82Å; A140-V428 HydrophobicContact CB-CG2 4.18Å; V143-V428 HydrophobicContact CB-CG2 4.2Å; V143-V428 HydrophobicContact CG1-CG2 4.04Å; C144-V428 WeakPolarHBondContact SG-CG2 3.34Å; M424-V428 WeakPolarHBondContact O-CG2 3.44Å; M424-V428 PolarHBondContact O-N 2.81Å; A425-V428 PolarHBondContact O-N 3.26Å; V428-A430 VanDerWaalsContact C-N 3.29Å; V428-A430 PolarHBondContact O-N 3.47Å; V428-V431 PolarHBondContact O-N 3.44Å; V428-A432 VanDerWaalsContact O-CB 3.31Å; V428-A432 WeakPolarHBondContact O-CB 3.39Å; V428-A432 PolarHBondContact O-N 3.25Å; V428-M443 HydrophobicContact CG1-CB 4.08Å; V428-M443 WeakPolarHBondContact CG1-O 3.29Å; V428-A447 HydrophobicContact CB-CB 4.13Å; V428-A447 HydrophobicContact CG1-CB 3.99Å
429S96.7Very high96Very high25 Ų2543 Ų4318%0.17525%0.25CS..Hα-helixtrans-60.8-39.6179.1-52.80000111.5A425 T426 A427 V431 A432 S433 A447A425-S429 WeakPolarHBondContact O-CB 3.28Å; A425-S429 PolarHBondContact O-N 3.45Å; A425-S429 PolarHBondContact O-OG 3.31Å; T426-S429 PolarHBondContact O-N 2.87Å; A427-S429 PolarHBondContact O-N 2.78Å; S429-V431 PolarHBondContact O-N 2.99Å; S429-A432 PolarHBondContact O-N 2.78Å; S429-S433 PolarHBondContact O-N 2.91Å; S429-A447 WeakPolarHBondContact OG-CB 3.31Å
430A95.4Very high95.9Very high43 Ų4343.7 Ų43.736%0.35526%0.257SS..Hα-helixtrans-62.9-43.1176.700000112.1T426 A427 V428 S433T426-A430 WeakPolarHBondContact O-CB 3.26Å; T426-A430 PolarHBondContact O-N 3.12Å; A427-A430 PolarHBondContact O-N 3.47Å; V428-A430 VanDerWaalsContact C-N 3.29Å; V428-A430 PolarHBondContact O-N 3.47Å; A430-S433 PolarHBondContact O-OG 2.9Å
431V97Very high95.9Very high56 Ų5647.1 Ų47.134%0.33927%0.274SS..Hα-helixtrans-72.3-37.5176.6-177.50000111.5V143 A427 V428 S429 S433 R434 T435 M443V143-V431 HydrophobicContact CG1-CG2 4.06Å; V143-V431 HydrophobicContact CG2-CB 4.26Å; V143-V431 HydrophobicContact CG2-CG1 4.24Å; V143-V431 HydrophobicContact CG2-CG2 3.96Å; A427-V431 WeakPolarHBondContact O-CG2 3.19Å; A427-V431 PolarHBondContact O-N 3.04Å; A427-V431 VanDerWaalsContact O-N 3.1Å; V428-V431 PolarHBondContact O-N 3.44Å; S429-V431 PolarHBondContact O-N 2.99Å; V431-S433 VanDerWaalsContact C-N 3.3Å; V431-S433 PolarHBondContact O-N 3.46Å; V431-R434 PolarHBondContact O-N 3.37Å; V431-R434 VanDerWaalsContact O-N 3.07Å; V431-T435 PolarHBondContact O-N 3.1Å; V431-T435 VanDerWaalsContact O-N 3.12Å; V431-T435 PolarHBondContact O-OG1 2.92Å; V431-M443 HydrophobicContact CB-CE 3.93Å; V431-M443 HydrophobicContact CG1-CE 3.69Å
432A96.9Very high95.8Very high4 Ų446.7 Ų46.73%0.03327%0.272CS..Hα-helixtrans-58-43.2176.400000111.2V428 S429 R434 T435 A440 M443V428-A432 VanDerWaalsContact O-CB 3.31Å; V428-A432 WeakPolarHBondContact O-CB 3.39Å; V428-A432 PolarHBondContact O-N 3.25Å; S429-A432 PolarHBondContact O-N 2.78Å; A432-R434 PolarHBondContact O-N 2.92Å; A432-R434 VanDerWaalsContact O-N 3.11Å; A432-T435 PolarHBondContact O-N 2.98Å; A432-A440 WeakPolarHBondContact O-CB 3.5Å; A432-M443 HydrophobicContact CB-CB 3.74Å
433S96.1Very high95.9Very high97 Ų9746.7 Ų46.768%0.67827%0.272SS*.THydrogen-bonded Turntrans-61.4-21.6177.876.10000114.4S429 A430 V431S429-S433 PolarHBondContact O-N 2.91Å; A430-S433 PolarHBondContact O-OG 2.9Å; V431-S433 VanDerWaalsContact C-N 3.3Å; V431-S433 PolarHBondContact O-N 3.46Å
434R95.7Very high95.9Very high211 Ų21149 Ų4980%0.79628%0.282SS*.THydrogen-bonded Turntrans-101.8-5179.2-59.8174.4-173.3175.41.9112.7V431 A432V431-R434 PolarHBondContact O-N 3.37Å; V431-R434 VanDerWaalsContact O-N 3.07Å; A432-R434 PolarHBondContact O-N 2.92Å; A432-R434 VanDerWaalsContact O-N 3.11Å
435T94.7Very high95.9Very high27 Ų2748.8 Ų48.817%0.16628%0.282CS..SBendtrans-93.4125-177.1-61.60000109.5V431 A432 Q439 A440 M443V431-T435 PolarHBondContact O-N 3.1Å; V431-T435 VanDerWaalsContact O-N 3.12Å; V431-T435 PolarHBondContact O-OG1 2.92Å; A432-T435 PolarHBondContact O-N 2.98Å; T435-Q439 HydrophobicContact CG2-CB 4.48Å; T435-A440 WeakPolarHBondContact O-CB 3.42Å; T435-M443 HydrophobicContact CG2-SD 4.23Å
436P91Very high95.9Very high115 Ų11548.8 Ų48.875%0.74728%0.281SS*.  trans-78.2145.817729.7-33.3000112.2
437G92Very high96Very high59 Ų5946.6 Ų46.661%0.60827%0.268SS*.SBendtrans86-172.2168.700000115.5Q439 A440G437-Q439 PolarHBondContact O-N 3.24Å; G437-Q439 VanDerWaalsContact O-N 3.1Å; G437-A440 WeakPolarHBondContact O-CB 3.43Å; G437-A440 PolarHBondContact O-N 3.48Å; G437-A440 VanDerWaalsContact O-N 3.07Å
438K92.9Very high96.1Very high119 Ų11950.7 Ų50.752%0.51728%0.28SS..Hα-helixtrans-61.3-21.8-172.4-65.1-173.5178.8-168.50114.2L128 T132 A440 L441 A442L128-K438 HydrophobicContact CD1-CD 4.32Å; L128-K438 HydrophobicContact CD2-CB 4.3Å; L128-K438 HydrophobicContact CG-CB 4.38Å; L128-K438 HydrophobicContact CG-CD 4.27Å; T132-K438 HydrophobicContact CG2-CB 3.67Å; K438-A440 PolarHBondContact O-N 2.91Å; K438-L441 WeakPolarHBondContact O-CB 3.31Å; K438-L441 PolarHBondContact O-N 2.91Å; K438-A442 PolarHBondContact O-N 2.91Å
439Q93.6Very high96.1Very high58 Ų5850.8 Ų50.827%0.27128%0.28SS..Hα-helixtrans-63.7-29.6176-70.1-179.9-8.400112.3T132 T435 G437 L441 A442 M443T132-Q439 HydrophobicContact CG2-CG 4.44Å; T435-Q439 HydrophobicContact CG2-CB 4.48Å; G437-Q439 PolarHBondContact O-N 3.24Å; G437-Q439 VanDerWaalsContact O-N 3.1Å; Q439-L441 VanDerWaalsContact C-N 3.31Å; Q439-L441 PolarHBondContact O-N 2.9Å; Q439-A442 PolarHBondContact O-N 3.15Å; Q439-M443 WeakPolarHBondContact O-CG 3.3Å; Q439-M443 PolarHBondContact O-N 2.92Å
440A96.4Very high96.1Very high18 Ų1849.6 Ų49.615%0.14927%0.272CS..Hα-helixtrans-63.4-38175.600000112.3A432 T435 G437 K438 A442 M443 E444A432-A440 WeakPolarHBondContact O-CB 3.5Å; T435-A440 WeakPolarHBondContact O-CB 3.42Å; G437-A440 WeakPolarHBondContact O-CB 3.43Å; G437-A440 PolarHBondContact O-N 3.48Å; G437-A440 VanDerWaalsContact O-N 3.07Å; K438-A440 PolarHBondContact O-N 2.91Å; A440-A442 VanDerWaalsContact C-N 3.33Å; A440-A442 PolarHBondContact O-N 3.26Å; A440-M443 PolarHBondContact O-N 2.89Å; A440-E444 WeakPolarHBondContact O-CB 3.46Å; A440-E444 PolarHBondContact O-N 3.36Å
441L96.4Very high96.3Very high75 Ų7548 Ų4839%0.39326%0.258SS..Hα-helixtrans-64.9-40.3177.1-59166.7000110.9L122 L128 K438 Q439 E444 S445L122-L441 HydrophobicContact CD2-CB 4.3Å; L128-L441 HydrophobicContact CD1-CD1 4.39Å; L128-L441 HydrophobicContact CD2-CB 4.32Å; K438-L441 WeakPolarHBondContact O-CB 3.31Å; K438-L441 PolarHBondContact O-N 2.91Å; Q439-L441 VanDerWaalsContact C-N 3.31Å; Q439-L441 PolarHBondContact O-N 2.9Å; L441-E444 PolarHBondContact O-N 2.86Å; L441-S445 WeakPolarHBondContact O-CB 3.48Å; L441-S445 PolarHBondContact O-N 2.59Å
442A96.7Very high96.3Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-65.4-41.5173.700000112.4L122 I133 W137 K438 Q439 A440 S445 F446L122-A442 HydrophobicContact CD1-CB 4.38Å; I133-A442 HydrophobicContact CB-CB 4.45Å; I133-A442 HydrophobicContact CG2-CB 4.35Å; W137-A442 PolarHBondContact NE1-O 3.26Å; K438-A442 PolarHBondContact O-N 2.91Å; Q439-A442 PolarHBondContact O-N 3.15Å; A440-A442 VanDerWaalsContact C-N 3.33Å; A440-A442 PolarHBondContact O-N 3.26Å; A442-S445 WeakPolarHBondContact O-CB 3.44Å; A442-S445 PolarHBondContact O-N 3.07Å; A442-S445 PolarHBondContact O-OG 2.97Å; A442-F446 PolarHBondContact O-N 3.24Å; A442-F446 VanDerWaalsContact O-N 3.11Å
443M98.3Very high96.3Very high1 Ų147.1 Ų47.11%0.00525%0.249CC..Hα-helixtrans-62.4-45.6174.5-68.6179.670.200111.9G136 K139 A140 V428 V431 A432 T435 Q439 A440 S445 F446 A447G136-M443 VanDerWaalsContact O-CG 3.29Å; G136-M443 WeakPolarHBondContact O-CG 3.3Å; K139-M443 HydrophobicContact CB-CE 4.37Å; K139-M443 HydrophobicContact CB-SD 4.13Å; A140-M443 HydrophobicContact CB-CB 4.43Å; A140-M443 HydrophobicContact CB-CG 4.23Å; V428-M443 HydrophobicContact CG1-CB 4.08Å; V428-M443 WeakPolarHBondContact CG1-O 3.29Å; V431-M443 HydrophobicContact CB-CE 3.93Å; V431-M443 HydrophobicContact CG1-CE 3.69Å; A432-M443 HydrophobicContact CB-CB 3.74Å; T435-M443 HydrophobicContact CG2-SD 4.23Å; Q439-M443 WeakPolarHBondContact O-CG 3.3Å; Q439-M443 PolarHBondContact O-N 2.92Å; A440-M443 PolarHBondContact O-N 2.89Å; M443-S445 PolarHBondContact O-N 3.06Å; M443-F446 WeakPolarHBondContact O-CB 3.43Å; M443-F446 PolarHBondContact O-N 3.4Å; M443-A447 PolarHBondContact O-N 3.21Å; M443-A447 VanDerWaalsContact O-N 3.07Å
444E97.6Very high96.4Very high52 Ų5242.5 Ų42.524%0.24322%0.217CC..Hα-helixtrans-60.1-37.1176.8-168.163.9-158.300111.6A440 L441 F446 A447 R448A440-E444 WeakPolarHBondContact O-CB 3.46Å; A440-E444 PolarHBondContact O-N 3.36Å; L441-E444 PolarHBondContact O-N 2.86Å; E444-F446 VanDerWaalsContact C-N 3.33Å; E444-F446 PolarHBondContact O-N 3.23Å; E444-A447 WeakPolarHBondContact O-CB 3.45Å; E444-A447 PolarHBondContact O-N 2.98Å; E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 3.4Å
445S97.6Very high96.5Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-65.2-35.6175.484.30000112.7Q118 L122 W137 L441 A442 M443 R448 A449Q118-S445 WeakPolarHBondContact CG-O 3.35Å; L122-S445 WeakPolarHBondContact CD1-OG 3.41Å; W137-S445 PolarHBondContact NE1-OG 3.49Å; L441-S445 WeakPolarHBondContact O-CB 3.48Å; L441-S445 PolarHBondContact O-N 2.59Å; A442-S445 WeakPolarHBondContact O-CB 3.44Å; A442-S445 PolarHBondContact O-N 3.07Å; A442-S445 PolarHBondContact O-OG 2.97Å; M443-S445 PolarHBondContact O-N 3.06Å; S445-R448 PolarHBondContact O-N 3.47Å; S445-A449 PolarHBondContact O-N 3.27Å
446F98.5Very high96.6Very high0 Ų034.1 Ų34.10%019%0.185CC..Hα-helixtrans-65.6-42.5173.8-161.4-74.2000110.9L115 W137 A140 A442 M443 E444 R448 A449 L450 L511 A515L115-F446 HydrophobicContact CD1-CE2 3.99Å; L115-F446 HydrophobicContact CD1-CZ 4.38Å; L115-F446 HydrophobicContact CD2-CB 4.39Å; L115-F446 HydrophobicContact CD2-CD2 3.39Å; L115-F446 HydrophobicContact CD2-CE2 3.66Å; L115-F446 HydrophobicContact CD2-CG 3.87Å; L115-F446 HydrophobicContact CD2-CZ 4.32Å; W137-F446 HydrophobicContact CB-CD2 3.95Å; W137-F446 HydrophobicContact CB-CE2 4.42Å; W137-F446 AromaticContact CD1-CD2 3.74Å; W137-F446 HydrophobicContact CD2-CD2 4.32Å; W137-F446 AromaticContact CG-CD2 3.76Å; W137-F446 HydrophobicContact CG-CD2 3.76Å; A140-F446 HydrophobicContact CB-CB 3.71Å; A140-F446 HydrophobicContact CB-CD1 4.06Å; A140-F446 HydrophobicContact CB-CD2 4.11Å; A140-F446 HydrophobicContact CB-CG 3.69Å; A442-F446 PolarHBondContact O-N 3.24Å; A442-F446 VanDerWaalsContact O-N 3.11Å; M443-F446 WeakPolarHBondContact O-CB 3.43Å; M443-F446 PolarHBondContact O-N 3.4Å; E444-F446 VanDerWaalsContact C-N 3.33Å; E444-F446 PolarHBondContact O-N 3.23Å; F446-R448 VanDerWaalsContact C-N 3.31Å; F446-R448 PolarHBondContact O-N 3.04Å; F446-A449 PolarHBondContact O-N 3.5Å; F446-L450 HydrophobicContact CD1-CD1 3.89Å; F446-L450 HydrophobicContact CD1-CG 4.1Å; F446-L450 HydrophobicContact CE1-CD1 3.96Å; F446-L450 HydrophobicContact CE1-CD2 4.32Å; F446-L450 HydrophobicContact CE1-CG 4.05Å; F446-L450 PolarHBondContact O-N 3.48Å; F446-L511 HydrophobicContact CE1-CD1 4.05Å; F446-L511 HydrophobicContact CZ-CD1 4.07Å; F446-A515 HydrophobicContact CE2-CB 4.11Å; F446-A515 HydrophobicContact CZ-CB 4.23Å
447A98Very high96.9Very high1 Ų129.4 Ų29.41%0.00815%0.153CC..Hα-helixtrans-60.3-40174.500000112A425 V428 S429 M443 E444 L450 L451A425-A447 HydrophobicContact CB-CB 4.16Å; A425-A447 WeakPolarHBondContact CB-O 3.37Å; A425-A447 WeakPolarHBondContact O-CB 3.39Å; V428-A447 HydrophobicContact CB-CB 4.13Å; V428-A447 HydrophobicContact CG1-CB 3.99Å; S429-A447 WeakPolarHBondContact OG-CB 3.31Å; M443-A447 PolarHBondContact O-N 3.21Å; M443-A447 VanDerWaalsContact O-N 3.07Å; E444-A447 WeakPolarHBondContact O-CB 3.45Å; E444-A447 PolarHBondContact O-N 2.98Å; A447-L450 WeakPolarHBondContact O-CB 3.41Å; A447-L450 PolarHBondContact O-N 2.64Å; A447-L451 WeakPolarHBondContact O-CG 3.26Å; A447-L451 PolarHBondContact O-N 2.83Å; A447-L451 VanDerWaalsContact O-N 3.1Å
448R97.9Very high97.1Very high104 Ų10426.6 Ų26.639%0.39212%0.124SC..Hα-helixtrans-64.6-40.9174.2-68.3173.2-167.1170.41.4112.5E444 S445 F446 L450 L451 H452E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 3.4Å; S445-R448 PolarHBondContact O-N 3.47Å; F446-R448 VanDerWaalsContact C-N 3.31Å; F446-R448 PolarHBondContact O-N 3.04Å; R448-L450 VanDerWaalsContact C-N 3.3Å; R448-L450 PolarHBondContact O-N 3.49Å; R448-L451 PolarHBondContact O-N 2.94Å; R448-H452 PolarHBondContact O-N 2.97Å; R448-H452 VanDerWaalsContact O-N 3.13Å
449A98.2Very high97.3Very high1 Ų125.2 Ų25.21%0.00812%0.12CC..Hα-helixtrans-62.2-37.4175.700000112.2L111 L115 Q118 S445 F446 H452L111-A449 HydrophobicContact CD1-CB 4.43Å; L115-A449 HydrophobicContact CD2-CB 3.59Å; L115-A449 HydrophobicContact CG-CB 3.9Å; Q118-A449 HydrophobicContact CG-CB 4.14Å; S445-A449 PolarHBondContact O-N 3.27Å; F446-A449 PolarHBondContact O-N 3.5Å; A449-H452 WeakPolarHBondContact O-CB 3.31Å; A449-H452 PolarHBondContact O-N 2.83Å
450L98.3Very high97.4Very high1 Ų123.9 Ų23.91%0.00511%0.114CC..Hα-helixtrans-64.1-41.2173.1-72.3169.7000112.4L111 M424 A425 F446 A447 R448 H452 I453 P454 L511L111-L450 HydrophobicContact CD1-CD2 4.16Å; L111-L450 HydrophobicContact CD2-CD2 4.36Å; M424-L450 HydrophobicContact CB-CD1 3.74Å; M424-L450 HydrophobicContact CE-CD2 4.05Å; A425-L450 HydrophobicContact CB-CB 4.01Å; A425-L450 HydrophobicContact CB-CD1 4.3Å; F446-L450 HydrophobicContact CD1-CD1 3.89Å; F446-L450 HydrophobicContact CD1-CG 4.1Å; F446-L450 HydrophobicContact CE1-CD1 3.96Å; F446-L450 HydrophobicContact CE1-CD2 4.32Å; F446-L450 HydrophobicContact CE1-CG 4.05Å; F446-L450 PolarHBondContact O-N 3.48Å; A447-L450 WeakPolarHBondContact O-CB 3.41Å; A447-L450 PolarHBondContact O-N 2.64Å; R448-L450 VanDerWaalsContact C-N 3.3Å; R448-L450 PolarHBondContact O-N 3.49Å; L450-H452 PolarHBondContact O-N 2.98Å; L450-I453 PolarHBondContact O-N 2.89Å; L450-P454 VanDerWaalsContact O-CD 3.3Å; L450-P454 WeakPolarHBondContact O-CD 3.33Å; L450-L511 HydrophobicContact CD2-CD1 4.22Å
451L98.1Very high97.2Very high10 Ų1024 Ų245%0.05212%0.117CC..Hα-helixtrans-67.4-20.4177.8-67.7171.7000113.3V422 A425 A447 R448 I453 P454 E455 V469 R473V422-L451 HydrophobicContact CB-CD2 4.43Å; V422-L451 HydrophobicContact CG1-CD2 4.39Å; V422-L451 HydrophobicContact CG2-CD2 3.9Å; A425-L451 HydrophobicContact CB-CD1 4.4Å; A425-L451 HydrophobicContact CB-CD2 3.85Å; A425-L451 HydrophobicContact CB-CG 3.77Å; A447-L451 WeakPolarHBondContact O-CG 3.26Å; A447-L451 PolarHBondContact O-N 2.83Å; A447-L451 VanDerWaalsContact O-N 3.1Å; R448-L451 PolarHBondContact O-N 2.94Å; L451-I453 PolarHBondContact O-N 3.23Å; L451-P454 WeakPolarHBondContact O-CD 3.48Å; L451-P454 WeakPolarHBondContact O-CG 3.39Å; L451-E455 WeakPolarHBondContact O-CG 3.29Å; L451-E455 PolarHBondContact O-N 3.37Å; L451-V469 HydrophobicContact CD2-CG1 4.26Å; L451-R473 HydrophobicContact CD2-CG 3.91Å
452H97.4Very high97.2Very high35 Ų3523.7 Ų23.716%0.16213%0.132CC..Hα-helixtrans-66-25.2175.3-166.7-145.3000112.6S114 R448 A449 L450 E455 I456S114-H452 PolarHBondContact OG-ND1 3.28Å; R448-H452 PolarHBondContact O-N 2.97Å; R448-H452 VanDerWaalsContact O-N 3.13Å; A449-H452 WeakPolarHBondContact O-CB 3.31Å; A449-H452 PolarHBondContact O-N 2.83Å; L450-H452 PolarHBondContact O-N 2.98Å; H452-E455 IonicContact CD2-OE2 3.78Å; H452-E455 PolarHBondContact CD2-OE2 3.11Å; H452-E455 WeakPolarHBondContact O-CB 3.33Å; H452-E455 PolarHBondContact O-N 2.7Å; H452-I456 WeakPolarHBondContact O-CD1 3.42Å; H452-I456 VanDerWaalsContact O-CG1 3.26Å; H452-I456 WeakPolarHBondContact O-CG1 3.5Å; H452-I456 PolarHBondContact O-N 2.85Å
453I97.8Very high97.2Very high5 Ų526.9 Ų26.93%0.02615%0.145CC..Hα-helixtrans-63.4-56.6175.8-60.9-60.9000111.8L47 T107 V110 L111 E421 L450 L451 E455 I456 L457L47-I453 HydrophobicContact CD2-CD1 4.11Å; L47-I453 HydrophobicContact CD2-CG2 4.24Å; T107-I453 HydrophobicContact CG2-CD1 4.43Å; V110-I453 HydrophobicContact CB-CD1 4.36Å; V110-I453 HydrophobicContact CG1-CD1 3.74Å; L111-I453 HydrophobicContact CB-CD1 4.35Å; E421-I453 HydrophobicContact CG-CB 4Å; E421-I453 HydrophobicContact CG-CG1 4.28Å; E421-I453 HydrophobicContact CG-CG2 4.07Å; L450-I453 PolarHBondContact O-N 2.89Å; L451-I453 PolarHBondContact O-N 3.23Å; I453-E455 VanDerWaalsContact C-N 3.25Å; I453-E455 PolarHBondContact O-N 3.22Å; I453-I456 PolarHBondContact O-N 2.83Å; I453-L457 WeakPolarHBondContact O-CG 3.47Å; I453-L457 PolarHBondContact O-N 3.09Å
454P97.6Very high97Very high0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-63.3-29173.623-31.7000113.2V422 L450 L451 L457 A458 V469 L485V422-P454 HydrophobicContact CG2-CG 3.94Å; L450-P454 VanDerWaalsContact O-CD 3.3Å; L450-P454 WeakPolarHBondContact O-CD 3.33Å; L451-P454 WeakPolarHBondContact O-CD 3.48Å; L451-P454 WeakPolarHBondContact O-CG 3.39Å; P454-L457 PolarHBondContact O-N 2.89Å; P454-A458 WeakPolarHBondContact O-CB 3.48Å; P454-A458 PolarHBondContact O-N 3.38Å; P454-V469 HydrophobicContact CB-CG2 4.14Å; P454-V469 HydrophobicContact CG-CG2 4.4Å; P454-L485 HydrophobicContact CB-CD1 3.72Å; P454-L485 WeakPolarHBondContact O-CD1 3.47Å
455E97.7Very high96.9Very high62 Ų6230.1 Ų30.129%0.2917%0.166SC..Hα-helixtrans-58.6-51.3171.2-71.1169.3-174.800111L451 H452 I453 L457 A458 E459 S465 V469L451-E455 WeakPolarHBondContact O-CG 3.29Å; L451-E455 PolarHBondContact O-N 3.37Å; H452-E455 IonicContact CD2-OE2 3.78Å; H452-E455 PolarHBondContact CD2-OE2 3.11Å; H452-E455 WeakPolarHBondContact O-CB 3.33Å; H452-E455 PolarHBondContact O-N 2.7Å; I453-E455 VanDerWaalsContact C-N 3.25Å; I453-E455 PolarHBondContact O-N 3.22Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 2.94Å; E455-A458 PolarHBondContact O-N 3.44Å; E455-E459 WeakPolarHBondContact O-CG 3.25Å; E455-E459 PolarHBondContact O-N 3.32Å; E455-S465 WeakPolarHBondContact O-CB 3.5Å; E455-V469 HydrophobicContact CB-CG2 4.43Å; E455-V469 HydrophobicContact CG-CB 4.33Å; E455-V469 HydrophobicContact CG-CG1 4.35Å; E455-V469 HydrophobicContact CG-CG2 3.68Å
456I97.1Very high96.8Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-62.3-40.8178.1-69.6163.2000111.6K44 L47 V110 H452 I453 A458 E459 N460K44-I456 HydrophobicContact CB-CD1 3.9Å; K44-I456 HydrophobicContact CB-CG1 4.31Å; K44-I456 HydrophobicContact CB-CG2 3.99Å; K44-I456 WeakPolarHBondContact O-CG2 3.43Å; L47-I456 HydrophobicContact CB-CG2 4.05Å; L47-I456 HydrophobicContact CD2-CB 4.45Å; L47-I456 HydrophobicContact CD2-CG2 3.99Å; V110-I456 HydrophobicContact CG1-CD1 3.28Å; H452-I456 WeakPolarHBondContact O-CD1 3.42Å; H452-I456 VanDerWaalsContact O-CG1 3.26Å; H452-I456 WeakPolarHBondContact O-CG1 3.5Å; H452-I456 PolarHBondContact O-N 2.85Å; I453-I456 PolarHBondContact O-N 2.83Å; I456-A458 VanDerWaalsContact C-N 3.34Å; I456-A458 PolarHBondContact O-N 2.87Å; I456-E459 PolarHBondContact O-N 2.95Å; I456-N460 WeakPolarHBondContact O-CB 2.99Å; I456-N460 VanDerWaalsContact O-CG 3.26Å; I456-N460 PolarHBondContact O-N 3.32Å; I456-N460 PolarHBondContact O-ND2 3.45Å
457L96.4Very high96.7Very high17 Ų1738.1 Ų38.19%0.08921%0.214CC..Hα-helixtrans-57.5-49.2176.1-69.1177.9000110.7L47 G48 I453 P454 E455 N460 G461 L485 M487L47-L457 HydrophobicContact CG-CD2 4.15Å; G48-L457 VanDerWaalsContact CA-CD2 3.46Å; I453-L457 WeakPolarHBondContact O-CG 3.47Å; I453-L457 PolarHBondContact O-N 3.09Å; P454-L457 PolarHBondContact O-N 2.89Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 2.94Å; L457-N460 PolarHBondContact O-N 2.57Å; L457-G461 PolarHBondContact O-N 2.87Å; L457-G461 VanDerWaalsContact O-N 3.15Å; L457-L485 HydrophobicContact CB-CD1 3.77Å; L457-L485 HydrophobicContact CD1-CD1 4.36Å; L457-M487 HydrophobicContact CB-SD 4.45Å; L457-M487 WeakPolarHBondContact O-CE 3.38Å
458A97.2Very high96.6Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-63.7-43178.200000112.4P454 E455 I456 G461 G462 Y463 L468 L485P454-A458 WeakPolarHBondContact O-CB 3.48Å; P454-A458 PolarHBondContact O-N 3.38Å; E455-A458 PolarHBondContact O-N 3.44Å; I456-A458 VanDerWaalsContact C-N 3.34Å; I456-A458 PolarHBondContact O-N 2.87Å; A458-G461 CarbonylContact O-C 3.59Å; A458-G461 WeakPolarHBondContact O-CA 3.29Å; A458-G461 PolarHBondContact O-N 2.9Å; A458-G461 VanDerWaalsContact O-N 3.11Å; A458-G462 PolarHBondContact O-N 2.83Å; A458-Y463 PolarHBondContact O-N 2.91Å; A458-L468 HydrophobicContact CB-CD1 4.09Å; A458-L485 HydrophobicContact CB-CD1 4.32Å
459E96.5Very high96.6Very high90 Ų9033.8 Ų33.842%0.42120%0.199SC..Hα-helixtrans-60.7-45177-75.3175.4-170.200112.2E455 I456 G461 G462 S465E455-E459 WeakPolarHBondContact O-CG 3.25Å; E455-E459 PolarHBondContact O-N 3.32Å; I456-E459 PolarHBondContact O-N 2.95Å; E459-G461 PolarHBondContact O-N 2.87Å; E459-G462 PolarHBondContact O-N 2.92Å; E459-S465 PolarHBondContact OE1-OG 3.35Å
460N95Very high96.5Very high29 Ų2937 Ų3716%0.15522%0.221CC..Hα-helixtrans-64.5-28.4176.3-71-15.7000111.9K44 S45 L47 I456 L457 G462K44-N460 PolarHBondContact O-ND2 3.33Å; S45-N460 WeakPolarHBondContact CA-OD1 3.45Å; L47-N460 PolarHBondContact O-ND2 3.21Å; I456-N460 WeakPolarHBondContact O-CB 2.99Å; I456-N460 VanDerWaalsContact O-CG 3.26Å; I456-N460 PolarHBondContact O-N 3.32Å; I456-N460 PolarHBondContact O-ND2 3.45Å; L457-N460 PolarHBondContact O-N 2.57Å; N460-G462 VanDerWaalsContact C-N 3.26Å; N460-G462 PolarHBondContact O-N 3.07Å
461G93.6Very high96.4Very high20 Ų2040.6 Ų40.621%0.20624%0.238CC..THydrogen-bonded Turntrans-75.2-8.5170.600000114.9L457 A458 E459 Y463L457-G461 PolarHBondContact O-N 2.87Å; L457-G461 VanDerWaalsContact O-N 3.15Å; A458-G461 CarbonylContact O-C 3.59Å; A458-G461 WeakPolarHBondContact O-CA 3.29Å; A458-G461 PolarHBondContact O-N 2.9Å; A458-G461 VanDerWaalsContact O-N 3.11Å; E459-G461 PolarHBondContact O-N 2.87Å; G461-Y463 VanDerWaalsContact C-N 3.27Å
462G95.3Very high96.3Very high69 Ų6940.1 Ų40.171%0.71124%0.236SC*.THydrogen-bonded Turntrans72.419.7-172.800000113.7A458 E459 N460A458-G462 PolarHBondContact O-N 2.83Å; E459-G462 PolarHBondContact O-N 2.92Å; N460-G462 VanDerWaalsContact C-N 3.26Å; N460-G462 PolarHBondContact O-N 3.07Å
463Y96.1Very high96.2Very high67 Ų6743.9 Ų43.926%0.26325%0.249SC..SBendtrans-95.4164.8179.6-54.2-55.8000111.8A458 G461 S465 L468 M487 N488 G490A458-Y463 PolarHBondContact O-N 2.91Å; G461-Y463 VanDerWaalsContact C-N 3.27Å; Y463-S465 PolarHBondContact O-N 3.29Å; Y463-L468 HydrophobicContact CD2-CD1 4.44Å; Y463-L468 HydrophobicContact CG-CD1 4.22Å; Y463-M487 HydrophobicContact CD2-CE 3.78Å; Y463-M487 HydrophobicContact CD2-SD 4.38Å; Y463-M487 HydrophobicContact CE2-CE 3.68Å; Y463-M487 HydrophobicContact CE2-SD 4.34Å; Y463-M487 PolarHBondContact OH-O 3.21Å; Y463-N488 PolarHBondContact OH-O 3.16Å; Y463-G490 VanDerWaalsContact CE1-CA 3.47Å; Y463-G490 VanDerWaalsContact CZ-CA 3.42Å
464D95.6Very high96.1Very high101 Ų10145.6 Ų45.654%0.5426%0.264SS..  trans-73.297.9173-171.7-24.5000110.1A466 E467 L468D464-A466 VanDerWaalsContact C-N 3.31Å; D464-A466 PolarHBondContact O-N 3.39Å; D464-A466 WeakPolarHBondContact OD1-CB 3.46Å; D464-A466 PolarHBondContact OD1-N 3.41Å; D464-A466 VanDerWaalsContact OD1-N 3.11Å; D464-E467 HydrophobicContact CB-CB 4.08Å; D464-E467 PolarHBondContact O-N 2.94Å; D464-E467 PolarHBondContact OD1-N 3.38Å; D464-L468 WeakPolarHBondContact O-CB 3.23Å; D464-L468 WeakPolarHBondContact O-CG 3.27Å; D464-L468 PolarHBondContact O-N 3.17Å
465S95.3Very high96Very high21 Ų2145.8 Ų45.815%0.14727%0.265CS..Hα-helixtrans-62.4-37.6-179.157.90000112.5E455 E459 Y463 V469E455-S465 WeakPolarHBondContact O-CB 3.5Å; E459-S465 PolarHBondContact OE1-OG 3.35Å; Y463-S465 PolarHBondContact O-N 3.29Å; S465-V469 VanDerWaalsContact O-CB 3.23Å; S465-V469 WeakPolarHBondContact O-CB 3.19Å; S465-V469 WeakPolarHBondContact O-CG2 3.37Å; S465-V469 PolarHBondContact O-N 3.38Å
466A94.8Very high95.9Very high69 Ų6943.4 Ų43.457%0.5725%0.254SS*.Hα-helixtrans-65.3-45.1-179.200000111.2D464 S470D464-A466 VanDerWaalsContact C-N 3.31Å; D464-A466 PolarHBondContact O-N 3.39Å; D464-A466 WeakPolarHBondContact OD1-CB 3.46Å; D464-A466 PolarHBondContact OD1-N 3.41Å; D464-A466 VanDerWaalsContact OD1-N 3.11Å; A466-S470 WeakPolarHBondContact O-CB 3.39Å; A466-S470 PolarHBondContact O-N 3.07Å
467E97Very high95.6Very high98 Ų9847.2 Ų47.246%0.45829%0.286SS..Hα-helixtrans-66.4-49.6177.2-178.359.1-159.400111.4D464 V469 S470 Q471D464-E467 HydrophobicContact CB-CB 4.08Å; D464-E467 PolarHBondContact O-N 2.94Å; D464-E467 PolarHBondContact OD1-N 3.38Å; E467-V469 PolarHBondContact O-N 2.8Å; E467-S470 WeakPolarHBondContact O-CB 3.33Å; E467-S470 PolarHBondContact O-N 2.94Å; E467-Q471 WeakPolarHBondContact O-CG 3.33Å; E467-Q471 PolarHBondContact O-N 2.87Å; E467-Q471 PolarHBondContact OE1-NE2 3.48Å
468L96.7Very high95.5Very high10 Ų1055.5 Ų55.55%0.05232%0.315CS..Hα-helixtrans-65.5-44.5-175.8-70.7176.7000112.6A458 Y463 D464 S470 Q471 I472 L485 G490 V492A458-L468 HydrophobicContact CB-CD1 4.09Å; Y463-L468 HydrophobicContact CD2-CD1 4.44Å; Y463-L468 HydrophobicContact CG-CD1 4.22Å; D464-L468 WeakPolarHBondContact O-CB 3.23Å; D464-L468 WeakPolarHBondContact O-CG 3.27Å; D464-L468 PolarHBondContact O-N 3.17Å; L468-S470 VanDerWaalsContact C-N 3.3Å; L468-S470 PolarHBondContact O-N 2.85Å; L468-Q471 PolarHBondContact O-N 2.89Å; L468-I472 VanDerWaalsContact O-CG1 3.32Å; L468-I472 WeakPolarHBondContact O-CG1 3.43Å; L468-I472 PolarHBondContact O-N 3.28Å; L468-L485 HydrophobicContact CB-CD2 3.66Å; L468-L485 HydrophobicContact CD1-CD2 3.92Å; L468-L485 HydrophobicContact CG-CD2 4.29Å; L468-G490 WeakPolarHBondContact CD2-O 3.13Å; L468-V492 HydrophobicContact CD2-CG2 4.2Å
469V96.3Very high95.2Very high5 Ų558.1 Ų58.13%0.0334%0.343CS..Hα-helixtrans-66.1-37.4179.1173.80000110.6L451 P454 E455 S465 E467 I472 R473L451-V469 HydrophobicContact CD2-CG1 4.26Å; P454-V469 HydrophobicContact CB-CG2 4.14Å; P454-V469 HydrophobicContact CG-CG2 4.4Å; E455-V469 HydrophobicContact CB-CG2 4.43Å; E455-V469 HydrophobicContact CG-CB 4.33Å; E455-V469 HydrophobicContact CG-CG1 4.35Å; E455-V469 HydrophobicContact CG-CG2 3.68Å; S465-V469 VanDerWaalsContact O-CB 3.23Å; S465-V469 WeakPolarHBondContact O-CB 3.19Å; S465-V469 WeakPolarHBondContact O-CG2 3.37Å; S465-V469 PolarHBondContact O-N 3.38Å; E467-V469 PolarHBondContact O-N 2.8Å; V469-I472 PolarHBondContact O-N 2.9Å; V469-R473 HydrophobicContact CG1-CG 4.45Å; V469-R473 WeakPolarHBondContact O-CB 3.49Å; V469-R473 WeakPolarHBondContact O-CG 3.48Å; V469-R473 PolarHBondContact O-N 3.39Å
470S96.4Very high95Very high67 Ų6758.3 Ų58.347%0.46934%0.342SS..Hα-helixtrans-58.8-47.5171.6-179.60000111.8A466 E467 L468 R473 A474A466-S470 WeakPolarHBondContact O-CB 3.39Å; A466-S470 PolarHBondContact O-N 3.07Å; E467-S470 WeakPolarHBondContact O-CB 3.33Å; E467-S470 PolarHBondContact O-N 2.94Å; L468-S470 VanDerWaalsContact C-N 3.3Å; L468-S470 PolarHBondContact O-N 2.85Å; S470-R473 PolarHBondContact O-N 3.12Å; S470-A474 WeakPolarHBondContact O-CB 3.13Å; S470-A474 PolarHBondContact O-N 3.43Å
471Q96.6Very high94.9Very high77 Ų7761.9 Ų61.936%0.3636%0.356SS..Hα-helixtrans-63-43.6178.6-71.8-179.413.600112.8E467 L468 A474 A475 V492E467-Q471 WeakPolarHBondContact O-CG 3.33Å; E467-Q471 PolarHBondContact O-N 2.87Å; E467-Q471 PolarHBondContact OE1-NE2 3.48Å; L468-Q471 PolarHBondContact O-N 2.89Å; Q471-A474 PolarHBondContact O-N 3.06Å; Q471-A475 WeakPolarHBondContact O-CB 3.42Å; Q471-A475 PolarHBondContact O-N 2.98Å; Q471-V492 HydrophobicContact CB-CG2 3.66Å
472I96.2Very high95Very high0 Ų062.8 Ų62.80%036%0.358CS..Hα-helixtrans-64.9-45178.6-59.8168.8000110.2V422 L468 V469 A474 A475 H476 L485 V492V422-I472 HydrophobicContact CB-CG2 4.07Å; V422-I472 HydrophobicContact CG1-CG2 3.93Å; V422-I472 HydrophobicContact CG2-CB 4.48Å; V422-I472 HydrophobicContact CG2-CG2 3.84Å; L468-I472 VanDerWaalsContact O-CG1 3.32Å; L468-I472 WeakPolarHBondContact O-CG1 3.43Å; L468-I472 PolarHBondContact O-N 3.28Å; V469-I472 PolarHBondContact O-N 2.9Å; I472-A474 VanDerWaalsContact C-N 3.3Å; I472-A474 PolarHBondContact O-N 2.82Å; I472-A475 WeakPolarHBondContact O-CB 3.48Å; I472-A475 PolarHBondContact O-N 3.27Å; I472-H476 PolarHBondContact O-CD2 2.87Å; I472-H476 VanDerWaalsContact O-CD2 3.27Å; I472-H476 PolarHBondContact O-N 3.4Å; I472-L485 HydrophobicContact CD1-CB 4.38Å; I472-L485 HydrophobicContact CD1-CD1 4.45Å; I472-L485 HydrophobicContact CD1-CD2 3.33Å; I472-L485 HydrophobicContact CD1-CG 3.4Å; I472-L485 VanDerWaalsContact CD1-CG 3.4Å; I472-V492 HydrophobicContact CD1-CG2 4.23Å; I472-V492 HydrophobicContact CG1-CB 4.15Å; I472-V492 HydrophobicContact CG1-CG1 3.68Å; I472-V492 HydrophobicContact CG1-CG2 3.42Å; I472-V492 VanDerWaalsContact CG1-CG2 3.42Å
473R95.6Very high95.1Very high115 Ų11562.4 Ų62.443%0.43434%0.336SS..Hα-helixtrans-58.1-43.6175.6-72175.671.6-157.41.3111.6V422 L451 V469 S470 A475 H476 A477V422-R473 HydrophobicContact CG1-CG 4.05Å; L451-R473 HydrophobicContact CD2-CG 3.91Å; V469-R473 HydrophobicContact CG1-CG 4.45Å; V469-R473 WeakPolarHBondContact O-CB 3.49Å; V469-R473 WeakPolarHBondContact O-CG 3.48Å; V469-R473 PolarHBondContact O-N 3.39Å; S470-R473 PolarHBondContact O-N 3.12Å; R473-A475 VanDerWaalsContact C-N 3.32Å; R473-A475 PolarHBondContact O-N 3.4Å; R473-H476 PolarHBondContact O-N 2.87Å; R473-A477 WeakPolarHBondContact O-CB 3.33Å; R473-A477 PolarHBondContact O-N 3.17Å
474A95.1Very high95.1Very high41 Ų4159.2 Ų59.234%0.33932%0.323SS..Hα-helixtrans-66.3-31.3175.900000113S470 Q471 I472 R478S470-A474 WeakPolarHBondContact O-CB 3.13Å; S470-A474 PolarHBondContact O-N 3.43Å; Q471-A474 PolarHBondContact O-N 3.06Å; I472-A474 VanDerWaalsContact C-N 3.3Å; I472-A474 PolarHBondContact O-N 2.82Å; A474-R478 WeakPolarHBondContact O-CG 3.25Å; A474-R478 PolarHBondContact O-N 3.33Å; A474-R478 PolarHBondContact O-NE 3.46Å
475A95.6Very high95.2Very high4 Ų454.7 Ų54.73%0.03330%0.299CS..Hα-helixtrans-68.8-47.6173.700000111.4Q471 I472 R473 A477 R478 G479 K480 Y483Q471-A475 WeakPolarHBondContact O-CB 3.42Å; Q471-A475 PolarHBondContact O-N 2.98Å; I472-A475 WeakPolarHBondContact O-CB 3.48Å; I472-A475 PolarHBondContact O-N 3.27Å; R473-A475 VanDerWaalsContact C-N 3.32Å; R473-A475 PolarHBondContact O-N 3.4Å; A475-A477 PolarHBondContact O-N 2.87Å; A475-R478 CarbonylContact O-C 3.59Å; A475-R478 WeakPolarHBondContact O-CA 3.41Å; A475-R478 PolarHBondContact O-N 3.33Å; A475-R478 VanDerWaalsContact O-N 3.09Å; A475-G479 PolarHBondContact O-N 2.95Å; A475-K480 HydrophobicContact CB-CB 4.22Å; A475-K480 HydrophobicContact CB-CD 4.44Å; A475-K480 WeakPolarHBondContact O-CB 3.41Å; A475-K480 PolarHBondContact O-N 3.24Å; A475-Y483 HydrophobicContact CB-CD1 3.92Å; A475-Y483 HydrophobicContact CB-CG 4.28Å
476H96Very high95.2Very high11 Ų1154.5 Ų54.55%0.05130%0.296CS..Hα-helixtrans-62.3-42.2177.3-83.2-114.4000112.2C419 V422 I472 R473 R478 G479 K481 Y483C419-H476 PolarHBondContact O-CE1 3.04Å; V422-H476 HydrophobicContact CG1-CB 4.17Å; I472-H476 PolarHBondContact O-CD2 2.87Å; I472-H476 VanDerWaalsContact O-CD2 3.27Å; I472-H476 PolarHBondContact O-N 3.4Å; R473-H476 PolarHBondContact O-N 2.87Å; H476-R478 PolarHBondContact O-N 2.96Å; H476-G479 WeakPolarHBondContact O-CA 3.43Å; H476-G479 PolarHBondContact O-N 3.49Å; H476-K481 PolarHBondContact CE1-O 3.34Å; H476-Y483 PolarHBondContact NE2-O 2.7Å
477A91.4Very high95Very high81 Ų8151.8 Ų51.867%0.66927%0.272SS*.Hα-helixtrans-61.3-28.1174.600000113.2R473 A475 G479R473-A477 WeakPolarHBondContact O-CB 3.33Å; R473-A477 PolarHBondContact O-N 3.17Å; A475-A477 PolarHBondContact O-N 2.87Å; A477-G479 VanDerWaalsContact C-N 3.27Å
478R93Very high94.7Very high190 Ų19052.4 Ų52.472%0.71728%0.278SS*.THydrogen-bonded Turntrans-85.68.3173.1-71.9-178.6-73.1-172.7-1113.5A474 A475 H476A474-R478 WeakPolarHBondContact O-CG 3.25Å; A474-R478 PolarHBondContact O-N 3.33Å; A474-R478 PolarHBondContact O-NE 3.46Å; A475-R478 CarbonylContact O-C 3.59Å; A475-R478 WeakPolarHBondContact O-CA 3.41Å; A475-R478 PolarHBondContact O-N 3.33Å; A475-R478 VanDerWaalsContact O-N 3.09Å; H476-R478 PolarHBondContact O-N 2.96Å
479G90.8Very high94.4Very high56 Ų5657.7 Ų57.758%0.57731%0.306SS*.THydrogen-bonded Turntrans88.41.8177.600000115.1A475 H476 A477 K481A475-G479 PolarHBondContact O-N 2.95Å; H476-G479 WeakPolarHBondContact O-CA 3.43Å; H476-G479 PolarHBondContact O-N 3.49Å; A477-G479 VanDerWaalsContact C-N 3.27Å; G479-K481 PolarHBondContact O-N 3.03Å
480K93Very high94.2Very high94 Ų9458.2 Ų58.241%0.40931%0.313SS..  trans-81.366.9176.2-62-177.1166.9-162.10111A475 T482 Y483A475-K480 HydrophobicContact CB-CB 4.22Å; A475-K480 HydrophobicContact CB-CD 4.44Å; A475-K480 WeakPolarHBondContact O-CB 3.41Å; A475-K480 PolarHBondContact O-N 3.24Å; K480-T482 PolarHBondContact O-N 2.86Å; K480-T482 VanDerWaalsContact O-N 3.14Å; K480-Y483 HydrophobicContact CB-CD1 4.4Å; K480-Y483 HydrophobicContact CB-CD2 3.82Å; K480-Y483 HydrophobicContact CB-CE2 4.12Å; K480-Y483 HydrophobicContact CB-CG 3.99Å; K480-Y483 HydrophobicContact CD-CD1 4.06Å; K480-Y483 HydrophobicContact CD-CD2 4.34Å; K480-Y483 HydrophobicContact CD-CE1 3.69Å; K480-Y483 HydrophobicContact CD-CE2 3.96Å; K480-Y483 HydrophobicContact CD-CG 4.41Å; K480-Y483 HydrophobicContact CG-CE2 4.39Å; K480-Y483 PolarHBondContact NZ-OH 2.8Å; K480-Y483 VanDerWaalsContact NZ-OH 3.07Å; K480-Y483 PolarHBondContact O-N 3.48Å
481K92.3Very high94.2Very high103 Ų10358 Ų5845%0.44831%0.309SS..THydrogen-bonded Turntrans-65.2-12.8-174.1-69.4-165.5173.4-159.30115.3E147 C419 H476 G479E147-K481 IonicContact OE1-NZ 3.51Å; E147-K481 PolarHBondContact OE1-NZ 3.38Å; E147-K481 IonicContact OE2-NZ 3.39Å; C419-K481 PolarHBondContact SG-O 2.85Å; H476-K481 PolarHBondContact CE1-O 3.34Å; G479-K481 PolarHBondContact O-N 3.03Å
482T95.5Very high94.2Very high39 Ų3955.8 Ų55.824%0.23930%0.3CS..THydrogen-bonded Turntrans-93.70.1-178.963.60000113.6L415 K480 D494 M495 M496L415-T482 HydrophobicContact CD1-CG2 3.77Å; K480-T482 PolarHBondContact O-N 2.86Å; K480-T482 VanDerWaalsContact O-N 3.14Å; T482-D494 WeakPolarHBondContact CB-OD1 3.42Å; T482-D494 VanDerWaalsContact OG1-CG 3.32Å; T482-D494 PolarHBondContact OG1-OD1 2.99Å; T482-M495 WeakPolarHBondContact O-CB 3.31Å; T482-M495 PolarHBondContact O-N 3.23Å; T482-M496 HydrophobicContact CG2-CE 4.08Å
483Y97.3Very high94.2Very high62 Ų6256.4 Ų56.424%0.24331%0.307CS..EExtended strand (participates in β ladder)trans-82.4137.8-174.8-82.2-140.2000111.2C419 A475 H476 K480 V492 G493 D494C419-Y483 PolarHBondContact SG-O 3.17Å; A475-Y483 HydrophobicContact CB-CD1 3.92Å; A475-Y483 HydrophobicContact CB-CG 4.28Å; H476-Y483 PolarHBondContact NE2-O 2.7Å; K480-Y483 HydrophobicContact CB-CD1 4.4Å; K480-Y483 HydrophobicContact CB-CD2 3.82Å; K480-Y483 HydrophobicContact CB-CE2 4.12Å; K480-Y483 HydrophobicContact CB-CG 3.99Å; K480-Y483 HydrophobicContact CD-CD1 4.06Å; K480-Y483 HydrophobicContact CD-CD2 4.34Å; K480-Y483 HydrophobicContact CD-CE1 3.69Å; K480-Y483 HydrophobicContact CD-CE2 3.96Å; K480-Y483 HydrophobicContact CD-CG 4.41Å; K480-Y483 HydrophobicContact CG-CE2 4.39Å; K480-Y483 PolarHBondContact NZ-OH 2.8Å; K480-Y483 VanDerWaalsContact NZ-OH 3.07Å; K480-Y483 PolarHBondContact O-N 3.48Å; Y483-V492 HydrophobicContact CD1-CG1 3.75Å; Y483-V492 HydrophobicContact CG-CG1 4.37Å; Y483-G493 CarbonylContact C-O 3.6Å; Y483-G493 WeakPolarHBondContact CA-O 3.31Å; Y483-D494 HydrophobicContact CD2-CB 4.02Å; Y483-D494 HydrophobicContact CE2-CB 3.74Å
484G97.3Very high94.2Very high0 Ų053.1 Ų53.10%030%0.298CS..EExtended strand (participates in β ladder)trans-147.1-164.4178.200000111.2V492 G493G484-V492 WeakPolarHBondContact O-CA 3.42Å; G484-G493 PolarHBondContact N-O 3.17Å; G484-G493 PolarHBondContact O-N 2.88Å
485L96.7Very high94.3Very high5 Ų551.1 Ų51.13%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-84.7120.3178.2-66167.7000111.2G417 P454 L457 A458 L468 I472 M487G417-L485 PolarHBondContact O-N 3.3Å; P454-L485 HydrophobicContact CB-CD1 3.72Å; P454-L485 WeakPolarHBondContact O-CD1 3.47Å; L457-L485 HydrophobicContact CB-CD1 3.77Å; L457-L485 HydrophobicContact CD1-CD1 4.36Å; A458-L485 HydrophobicContact CB-CD1 4.32Å; L468-L485 HydrophobicContact CB-CD2 3.66Å; L468-L485 HydrophobicContact CD1-CD2 3.92Å; L468-L485 HydrophobicContact CG-CD2 4.29Å; I472-L485 HydrophobicContact CD1-CB 4.38Å; I472-L485 HydrophobicContact CD1-CD1 4.45Å; I472-L485 HydrophobicContact CD1-CD2 3.33Å; I472-L485 HydrophobicContact CD1-CG 3.4Å; I472-L485 VanDerWaalsContact CD1-CG 3.4Å; L485-M487 HydrophobicContact CB-CG 4.47Å; L485-M487 HydrophobicContact CB-SD 3.88Å; L485-M487 HydrophobicContact CD1-SD 4.36Å; L485-M487 PolarHBondContact O-N 2.94Å
486D95.3Very high94.2Very high17 Ų1754.8 Ų54.89%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-83.2104.8161-173.9-13.9000109.3N488 D489 G490 T491 M498D486-N488 VanDerWaalsContact C-N 3.29Å; D486-N488 PolarHBondContact O-N 3.47Å; D486-N488 WeakPolarHBondContact OD1-CB 3.4Å; D486-N488 PolarHBondContact OD1-N 3.02Å; D486-D489 PolarHBondContact OD1-N 3.1Å; D486-G490 VanDerWaalsContact O-CA 3.31Å; D486-G490 WeakPolarHBondContact O-CA 3.4Å; D486-G490 PolarHBondContact O-N 3.49Å; D486-T491 PolarHBondContact N-O 3.07Å; D486-T491 PolarHBondContact O-N 2.88Å; D486-M498 HydrophobicContact CB-CE 3.69Å; D486-M498 HydrophobicContact CB-SD 4.06Å; D486-M498 WeakPolarHBondContact OD1-CE 3.38Å; D486-M498 WeakPolarHBondContact OD2-CE 3.4Å
487M91.6Very high94.1Very high13 Ų1358.7 Ų58.76%0.06433%0.327CS..THydrogen-bonded Turntrans-79.3-8.1-177.6-63.9-54.1-5900114.2P49 K50 L457 Y463 L485P49-M487 HydrophobicContact CG-CB 3.84Å; P49-M487 HydrophobicContact CG-CG 3.79Å; K50-M487 HydrophobicContact CB-CE 4.39Å; K50-M487 VanDerWaalsContact CE-O 3.25Å; K50-M487 WeakPolarHBondContact CE-O 3.43Å; K50-M487 HydrophobicContact CG-CB 4.34Å; K50-M487 HydrophobicContact CG-CE 4.04Å; L457-M487 HydrophobicContact CB-SD 4.45Å; L457-M487 WeakPolarHBondContact O-CE 3.38Å; Y463-M487 HydrophobicContact CD2-CE 3.78Å; Y463-M487 HydrophobicContact CD2-SD 4.38Å; Y463-M487 HydrophobicContact CE2-CE 3.68Å; Y463-M487 HydrophobicContact CE2-SD 4.34Å; Y463-M487 PolarHBondContact OH-O 3.21Å; L485-M487 HydrophobicContact CB-CG 4.47Å; L485-M487 HydrophobicContact CB-SD 3.88Å; L485-M487 HydrophobicContact CD1-SD 4.36Å; L485-M487 PolarHBondContact O-N 2.94Å
488N90.1Very high94.3Very high111 Ų11158 Ų5859%0.59431%0.311SS*.THydrogen-bonded Turntrans-82.6-44.3174.7-63.9-36.9000111Y463 D486Y463-N488 PolarHBondContact OH-O 3.16Å; D486-N488 VanDerWaalsContact C-N 3.29Å; D486-N488 PolarHBondContact O-N 3.47Å; D486-N488 WeakPolarHBondContact OD1-CB 3.4Å; D486-N488 PolarHBondContact OD1-N 3.02Å
489D90.8Very high94.3Very high120 Ų12049.3 Ų49.364%0.64228%0.281SS*.THydrogen-bonded Turntrans-100-12.3-176.4-68.3-18000113.3D486 T491D486-D489 PolarHBondContact OD1-N 3.1Å; D489-T491 HydrophobicContact CB-CG2 4.25Å
490G92.5Very high94.5Very high16 Ų1649 Ų4917%0.16527%0.265CS..THydrogen-bonded Turntrans6840.4-176.500000112.2Y463 L468 D486Y463-G490 VanDerWaalsContact CE1-CA 3.47Å; Y463-G490 VanDerWaalsContact CZ-CA 3.42Å; L468-G490 WeakPolarHBondContact CD2-O 3.13Å; D486-G490 VanDerWaalsContact O-CA 3.31Å; D486-G490 WeakPolarHBondContact O-CA 3.4Å; D486-G490 PolarHBondContact O-N 3.49Å
491T95.9Very high94.7Very high64 Ų6445.2 Ų45.239%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-132177-176.868.40000111.9D486 D489D486-T491 PolarHBondContact N-O 3.07Å; D486-T491 PolarHBondContact O-N 2.88Å; D489-T491 HydrophobicContact CB-CG2 4.25Å
492V96.2Very high94.8Very high29 Ų2942.7 Ų42.718%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-95.7119.8173.4179.50000110.2L468 Q471 I472 Y483 G484L468-V492 HydrophobicContact CD2-CG2 4.2Å; Q471-V492 HydrophobicContact CB-CG2 3.66Å; I472-V492 HydrophobicContact CD1-CG2 4.23Å; I472-V492 HydrophobicContact CG1-CB 4.15Å; I472-V492 HydrophobicContact CG1-CG1 3.68Å; I472-V492 HydrophobicContact CG1-CG2 3.42Å; I472-V492 VanDerWaalsContact CG1-CG2 3.42Å; Y483-V492 HydrophobicContact CD1-CG1 3.75Å; Y483-V492 HydrophobicContact CG-CG1 4.37Å; G484-V492 WeakPolarHBondContact O-CA 3.42Å
493G95.6Very high94.8Very high13 Ų1341 Ų4113%0.13423%0.228CC..EExtended strand (participates in β ladder)trans-130.2166.2-175.700000113.4Y483 G484 M495Y483-G493 CarbonylContact C-O 3.6Å; Y483-G493 WeakPolarHBondContact CA-O 3.31Å; G484-G493 PolarHBondContact N-O 3.17Å; G484-G493 PolarHBondContact O-N 2.88Å; G493-M495 VanDerWaalsContact O-CE 3.28Å; G493-M495 WeakPolarHBondContact O-CE 3.02Å; G493-M495 PolarHBondContact O-N 2.85Å
494D96.5Very high94.7Very high46 Ų4638.3 Ų38.325%0.24622%0.217CC..EExtended strand (participates in β ladder)trans-81.5107173.8179.68.2000110.4T482 Y483 M496 S497 M498T482-D494 WeakPolarHBondContact CB-OD1 3.42Å; T482-D494 VanDerWaalsContact OG1-CG 3.32Å; T482-D494 PolarHBondContact OG1-OD1 2.99Å; Y483-D494 HydrophobicContact CD2-CB 4.02Å; Y483-D494 HydrophobicContact CE2-CB 3.74Å; D494-M496 PolarHBondContact O-N 3.45Å; D494-M496 VanDerWaalsContact O-N 3.14Å; D494-M496 WeakPolarHBondContact OD1-CB 3.02Å; D494-M496 PolarHBondContact OD1-N 2.73Å; D494-S497 PolarHBondContact O-N 3.12Å; D494-S497 VanDerWaalsContact O-N 3.11Å; D494-S497 PolarHBondContact O-OG 3.33Å; D494-M498 WeakPolarHBondContact O-CG 3.43Å; D494-M498 PolarHBondContact O-N 3.18Å; D494-M498 VanDerWaalsContact O-N 3.11Å
495M96.6Very high94.7Very high0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-61.5-25.6-177.1-61.7-61.795.900112.4L415 C419 T482 G493 M498 G499 I500L415-M495 HydrophobicContact CB-CB 4.03Å; L415-M495 HydrophobicContact CD1-CB 4.34Å; L415-M495 HydrophobicContact CD2-CB 4.34Å; L415-M495 HydrophobicContact CG-CB 4.46Å; C419-M495 HydrophobicContact CB-CG 3.91Å; T482-M495 WeakPolarHBondContact O-CB 3.31Å; T482-M495 PolarHBondContact O-N 3.23Å; G493-M495 VanDerWaalsContact O-CE 3.28Å; G493-M495 WeakPolarHBondContact O-CE 3.02Å; G493-M495 PolarHBondContact O-N 2.85Å; M495-M498 HydrophobicContact CE-CE 4.44Å; M495-M498 HydrophobicContact CE-SD 3.47Å; M495-M498 WeakPolarHBondContact CE-SD 3.3Å; M495-G499 PolarHBondContact O-N 3.43Å; M495-I500 HydrophobicContact CB-CB 4.36Å; M495-I500 PolarHBondContact O-N 3.41Å; M495-I500 HydrophobicContact SD-CB 4.1Å; M495-I500 HydrophobicContact SD-CG1 4.18Å; M495-I500 HydrophobicContact SD-CG2 4.37Å
496M94.1Very high94.6Very high81 Ų8143.8 Ų43.840%0.39924%0.239SC..Hα-helixtrans-70-46.1176.8-170.3175.6-67.500111.6L415 T482 D494 M498 G499 Y501L415-M496 HydrophobicContact CD1-CB 4.43Å; L415-M496 HydrophobicContact CD1-CE 4.49Å; L415-M496 HydrophobicContact CD2-CB 4.25Å; T482-M496 HydrophobicContact CG2-CE 4.08Å; D494-M496 PolarHBondContact O-N 3.45Å; D494-M496 VanDerWaalsContact O-N 3.14Å; D494-M496 WeakPolarHBondContact OD1-CB 3.02Å; D494-M496 PolarHBondContact OD1-N 2.73Å; M496-M498 VanDerWaalsContact C-N 3.29Å; M496-M498 PolarHBondContact O-N 2.89Å; M496-G499 PolarHBondContact O-N 3.15Å; M496-Y501 HydrophobicContact CG-CE1 4.39Å
497S94Very high94.6Very high92 Ų9243.9 Ų43.964%0.64324%0.239SC*.Hα-helixtrans-64.8-35.4177.373.60000112.3D494 G499D494-S497 PolarHBondContact O-N 3.12Å; D494-S497 VanDerWaalsContact O-N 3.11Å; D494-S497 PolarHBondContact O-OG 3.33Å; S497-G499 VanDerWaalsContact C-N 3.3Å
498M94.1Very high94.9Very high67 Ų6744.2 Ų44.233%0.3324%0.24SC..Hα-helixtrans-79.6-11177.9-64.6175.370.200113.6D486 D494 M495 M496 I500D486-M498 HydrophobicContact CB-CE 3.69Å; D486-M498 HydrophobicContact CB-SD 4.06Å; D486-M498 WeakPolarHBondContact OD1-CE 3.38Å; D486-M498 WeakPolarHBondContact OD2-CE 3.4Å; D494-M498 WeakPolarHBondContact O-CG 3.43Å; D494-M498 PolarHBondContact O-N 3.18Å; D494-M498 VanDerWaalsContact O-N 3.11Å; M495-M498 HydrophobicContact CE-CE 4.44Å; M495-M498 HydrophobicContact CE-SD 3.47Å; M495-M498 WeakPolarHBondContact CE-SD 3.3Å; M496-M498 VanDerWaalsContact C-N 3.29Å; M496-M498 PolarHBondContact O-N 2.89Å; M498-I500 HydrophobicContact CB-CG1 4.02Å
499G93.8Very high95.2Very high7 Ų739.9 Ų39.97%0.07222%0.219CC..THydrogen-bonded Turntrans71.525.2-179.900000114.9K168 M495 M496 S497 Y501K168-G499 WeakPolarHBondContact CB-O 3.32Å; M495-G499 PolarHBondContact O-N 3.43Å; M496-G499 PolarHBondContact O-N 3.15Å; S497-G499 VanDerWaalsContact C-N 3.3Å; G499-Y501 PolarHBondContact O-N 3.3Å; G499-Y501 VanDerWaalsContact O-N 3.1Å
500I95.8Very high95.5Very high49 Ų4934.3 Ų34.325%0.25119%0.19SC..  trans-83.587.2178.3-53.8-59.4000109.2T172 G416 M495 M498T172-I500 HydrophobicContact CG2-CG2 4.21Å; G416-I500 PolarHBondContact N-O 2.92Å; M495-I500 HydrophobicContact CB-CB 4.36Å; M495-I500 PolarHBondContact O-N 3.41Å; M495-I500 HydrophobicContact SD-CB 4.1Å; M495-I500 HydrophobicContact SD-CG1 4.18Å; M495-I500 HydrophobicContact SD-CG2 4.37Å; M498-I500 HydrophobicContact CB-CG1 4.02Å
501Y95.8Very high95.8Very high16 Ų1633.7 Ų33.76%0.06318%0.183CC..EExtended strand (participates in β ladder)trans-108.6140.1-173.9-70-4.4000111.2D165 K168 I169 T172 V413 L415 M496 G499D165-Y501 VanDerWaalsContact OD1-CE2 3.31Å; D165-Y501 WeakPolarHBondContact OD1-CE2 3.49Å; K168-Y501 HydrophobicContact CB-CD2 3.77Å; K168-Y501 HydrophobicContact CB-CG 4.1Å; K168-Y501 HydrophobicContact CD-CD2 3.53Å; K168-Y501 HydrophobicContact CD-CE2 3.47Å; K168-Y501 VanDerWaalsContact CD-CE2 3.47Å; K168-Y501 HydrophobicContact CD-CG 4.24Å; K168-Y501 HydrophobicContact CG-CD2 4.31Å; I169-Y501 WeakPolarHBondContact CA-O 3.08Å; T172-Y501 VanDerWaalsContact CB-O 3.25Å; T172-Y501 WeakPolarHBondContact CB-O 3.47Å; T172-Y501 PolarHBondContact OG1-N 3.45Å; T172-Y501 PolarHBondContact OG1-O 3.02Å; T172-Y501 VanDerWaalsContact OG1-O 3.08Å; V413-Y501 HydrophobicContact CG1-CD1 4.1Å; V413-Y501 HydrophobicContact CG1-CD2 3.84Å; V413-Y501 HydrophobicContact CG1-CG 3.59Å; L415-Y501 HydrophobicContact CD2-CD1 3.66Å; L415-Y501 HydrophobicContact CD2-CE1 3.63Å; M496-Y501 HydrophobicContact CG-CE1 4.39Å; G499-Y501 PolarHBondContact O-N 3.3Å; G499-Y501 VanDerWaalsContact O-N 3.1Å
502E95.6Very high95.9Very high50 Ų5032 Ų3223%0.23417%0.171CC..EExtended strand (participates in β ladder)trans-126.6155.7175.2-68.3177.3171.200109.9T172 V414 G416 Y504 K507T172-E502 HydrophobicContact CG2-CG 3.88Å; V414-E502 HydrophobicContact CG2-CB 4.09Å; V414-E502 PolarHBondContact N-O 3.32Å; V414-E502 PolarHBondContact O-N 3.21Å; G416-E502 WeakPolarHBondContact CA-OE1 3.34Å; E502-Y504 PolarHBondContact O-N 2.79Å; E502-K507 IonicContact OE1-NZ 3.12Å; E502-K507 WeakPolarHBondContact OE2-CD 3.01Å; E502-K507 VanDerWaalsContact OE2-CE 3.3Å; E502-K507 WeakPolarHBondContact OE2-CE 3.28Å; E502-K507 IonicContact OE2-NZ 2.67Å; E502-K507 PolarHBondContact OE2-NZ 2.87Å
503S95Very high95.9Very high2 Ų231.8 Ų31.81%0.01417%0.171CC..EExtended strand (participates in β ladder)trans-69.8127.3172.1179.60000110.4R505 V506 K507S503-R505 PolarHBondContact O-N 2.92Å; S503-R505 PolarHBondContact OG-N 3.48Å; S503-V506 PolarHBondContact O-N 3.01Å; S503-K507 PolarHBondContact O-N 2.96Å
504Y96.4Very high96Very high7 Ų731.1 Ų31.13%0.02716%0.164CC..Hα-helixtrans-53.3-40.6172.8165.1-100.8000111.8L148 R149 A152 E410 K412 V414 E502 K507 L508L148-Y504 HydrophobicContact CD2-CD2 4.31Å; L148-Y504 HydrophobicContact CD2-CE2 4.11Å; L148-Y504 HydrophobicContact CG-CD2 4.02Å; L148-Y504 HydrophobicContact CG-CE2 3.91Å; R149-Y504 HydrophobicContact CG-CE2 3.93Å; R149-Y504 WeakPolarHBondContact CG-OH 3.36Å; A152-Y504 HydrophobicContact CB-CD2 3.7Å; A152-Y504 HydrophobicContact CB-CE2 4.27Å; A152-Y504 HydrophobicContact CB-CG 4.21Å; E410-Y504 WeakPolarHBondContact OE1-CE1 3.28Å; K412-Y504 HydrophobicContact CB-CD1 4.03Å; K412-Y504 HydrophobicContact CB-CG 3.93Å; K412-Y504 HydrophobicContact CD-CD1 3.88Å; K412-Y504 HydrophobicContact CD-CE1 4.18Å; K412-Y504 HydrophobicContact CD-CG 4.3Å; K412-Y504 WeakPolarHBondContact O-CB 3.44Å; K412-Y504 PolarHBondContact O-N 3.18Å; V414-Y504 HydrophobicContact CG1-CD2 3.93Å; V414-Y504 HydrophobicContact CG1-CG 4.48Å; E502-Y504 PolarHBondContact O-N 2.79Å; Y504-K507 PolarHBondContact O-N 2.81Å; Y504-L508 HydrophobicContact CE1-CD2 3.91Å; Y504-L508 VanDerWaalsContact O-CB 3.3Å; Y504-L508 WeakPolarHBondContact O-CB 3.46Å; Y504-L508 PolarHBondContact O-N 3.43Å; Y504-L508 WeakPolarHBondContact OH-CD2 3.36Å
505R95.3Very high96.1Very high106 Ų10629.4 Ų29.440%0.416%0.156SC..Hα-helixtrans-66.3-42.5-175.6-178.563.3-179.8-179.34.7111.8I406 S503 L508 S509I406-R505 HydrophobicContact CG2-CB 3.76Å; I406-R505 HydrophobicContact CG2-CG 3.46Å; I406-R505 VanDerWaalsContact CG2-CG 3.46Å; S503-R505 PolarHBondContact O-N 2.92Å; S503-R505 PolarHBondContact OG-N 3.48Å; R505-L508 PolarHBondContact O-N 2.95Å; R505-S509 WeakPolarHBondContact O-CB 3.42Å; R505-S509 PolarHBondContact O-N 2.8Å
506V95.4Very high96.1Very high14 Ų1434.9 Ų34.99%0.08518%0.182CC..Hα-helixtrans-60.3-49.4176.2175.50000110V101 D103 V403 S503 L508 S509 A510V101-V506 HydrophobicContact CB-CG2 4.15Å; V101-V506 HydrophobicContact CG2-CG1 4.34Å; V101-V506 HydrophobicContact CG2-CG2 4.34Å; D103-V506 HydrophobicContact CB-CG1 4.3Å; V403-V506 HydrophobicContact CG1-CG2 4.25Å; V403-V506 HydrophobicContact CG2-CG2 4.08Å; S503-V506 PolarHBondContact O-N 3.01Å; V506-L508 PolarHBondContact O-N 3.32Å; V506-S509 PolarHBondContact O-N 2.9Å; V506-A510 WeakPolarHBondContact O-CB 3.4Å; V506-A510 PolarHBondContact O-N 3.08Å
507K96.1Very high96.2Very high18 Ų1831.1 Ų31.18%0.07816%0.163CC..Hα-helixtrans-62.3-43.7-179.6-156.172.1151.7-166.70112.5L148 V414 E421 E502 S503 Y504 A510 L511L148-K507 HydrophobicContact CD1-CB 4.49Å; L148-K507 HydrophobicContact CD1-CG 4Å; L148-K507 HydrophobicContact CD2-CB 4.25Å; L148-K507 HydrophobicContact CD2-CG 4.27Å; V414-K507 HydrophobicContact CG2-CB 4.06Å; V414-K507 HydrophobicContact CG2-CG 4.3Å; E421-K507 VanDerWaalsContact CD-CE 3.41Å; E421-K507 WeakPolarHBondContact OE1-CE 3.14Å; E421-K507 IonicContact OE1-NZ 3.12Å; E421-K507 PolarHBondContact OE1-NZ 3.46Å; E421-K507 WeakPolarHBondContact OE2-CE 3.46Å; E421-K507 IonicContact OE2-NZ 3.07Å; E421-K507 PolarHBondContact OE2-NZ 3.4Å; E502-K507 IonicContact OE1-NZ 3.12Å; E502-K507 WeakPolarHBondContact OE2-CD 3.01Å; E502-K507 VanDerWaalsContact OE2-CE 3.3Å; E502-K507 WeakPolarHBondContact OE2-CE 3.28Å; E502-K507 IonicContact OE2-NZ 2.67Å; E502-K507 PolarHBondContact OE2-NZ 2.87Å; S503-K507 PolarHBondContact O-N 2.96Å; Y504-K507 PolarHBondContact O-N 2.81Å; K507-A510 PolarHBondContact O-N 2.85Å; K507-L511 WeakPolarHBondContact O-CB 3.36Å; K507-L511 PolarHBondContact O-N 3.21Å
508L97.1Very high96.3Very high20 Ų2026.7 Ų26.711%0.10513%0.133CC..Hα-helixtrans-64.2-45.6177.2179.270.2000111.6R145 L148 Y504 R505 V506 A510 L511 N512R145-L508 HydrophobicContact CG-CD1 4Å; L148-L508 HydrophobicContact CD2-CB 4.03Å; L148-L508 HydrophobicContact CD2-CD1 4.26Å; Y504-L508 HydrophobicContact CE1-CD2 3.91Å; Y504-L508 VanDerWaalsContact O-CB 3.3Å; Y504-L508 WeakPolarHBondContact O-CB 3.46Å; Y504-L508 PolarHBondContact O-N 3.43Å; Y504-L508 WeakPolarHBondContact OH-CD2 3.36Å; R505-L508 PolarHBondContact O-N 2.95Å; V506-L508 PolarHBondContact O-N 3.32Å; L508-A510 VanDerWaalsContact C-N 3.3Å; L508-A510 PolarHBondContact O-N 3.32Å; L508-L511 PolarHBondContact O-N 3.11Å; L508-N512 PolarHBondContact O-N 3.32Å; L508-N512 PolarHBondContact O-ND2 3.49Å
509S97Very high96.4Very high20 Ų2025.1 Ų25.114%0.1412%0.124CC..Hα-helixtrans-57.7-47.6176-1710000110.1Q97 R505 V506 L511 N512 S513Q97-S509 PolarHBondContact OE1-OG 2.67Å; R505-S509 WeakPolarHBondContact O-CB 3.42Å; R505-S509 PolarHBondContact O-N 2.8Å; V506-S509 PolarHBondContact O-N 2.9Å; S509-L511 PolarHBondContact O-N 3.25Å; S509-N512 PolarHBondContact O-N 3.38Å; S509-S513 WeakPolarHBondContact O-CB 3.22Å; S509-S513 PolarHBondContact O-N 3.36Å; S509-S513 PolarHBondContact O-OG 3.02Å; S509-S513 VanDerWaalsContact O-OG 3.13Å
510A97Very high96.3Very high3 Ų329.3 Ų29.33%0.02514%0.143CC..Hα-helixtrans-63.2-43.5-177.300000113.1V108 V506 K507 L508 N512 A514V108-A510 VanDerWaalsContact CG2-CA 3.41Å; V108-A510 HydrophobicContact CG2-CB 3.52Å; V506-A510 WeakPolarHBondContact O-CB 3.4Å; V506-A510 PolarHBondContact O-N 3.08Å; K507-A510 PolarHBondContact O-N 2.85Å; L508-A510 VanDerWaalsContact C-N 3.3Å; L508-A510 PolarHBondContact O-N 3.32Å; A510-N512 VanDerWaalsContact C-N 3.35Å; A510-N512 PolarHBondContact O-N 3.22Å; A510-A514 WeakPolarHBondContact O-CB 3.37Å; A510-A514 PolarHBondContact O-N 3.01Å
511L98.1Very high96.2Very high4 Ų427.2 Ų27.22%0.02113%0.132CC..Hα-helixtrans-58.3-45.4174.6173.970.3000111.9L141 C144 R145 M424 F446 L450 K507 L508 S509 A515L141-L511 HydrophobicContact CD1-CD1 4.1Å; L141-L511 HydrophobicContact CD1-CD2 3.97Å; L141-L511 HydrophobicContact CD1-CG 3.65Å; C144-L511 HydrophobicContact CB-CD1 4.09Å; C144-L511 HydrophobicContact CB-CD2 3.6Å; C144-L511 HydrophobicContact CB-CG 4.44Å; R145-L511 HydrophobicContact CG-CD2 4.26Å; M424-L511 HydrophobicContact SD-CD1 4.36Å; M424-L511 HydrophobicContact SD-CD2 3.85Å; F446-L511 HydrophobicContact CE1-CD1 4.05Å; F446-L511 HydrophobicContact CZ-CD1 4.07Å; L450-L511 HydrophobicContact CD2-CD1 4.22Å; K507-L511 WeakPolarHBondContact O-CB 3.36Å; K507-L511 PolarHBondContact O-N 3.21Å; L508-L511 PolarHBondContact O-N 3.11Å; S509-L511 PolarHBondContact O-N 3.25Å; L511-A515 WeakPolarHBondContact O-CB 3.26Å; L511-A515 PolarHBondContact O-N 3.1Å
512N97.8Very high96.1Very high29 Ų2926.5 Ų26.516%0.15513%0.13CC..Hα-helixtrans-68.1-52.4-178.3-66.8-25.7000111.5R145 L508 S509 A510 A514 A515 E516R145-N512 PolarHBondContact NE-OD1 3.12Å; R145-N512 PolarHBondContact NH2-OD1 3.07Å; L508-N512 PolarHBondContact O-N 3.32Å; L508-N512 PolarHBondContact O-ND2 3.49Å; S509-N512 PolarHBondContact O-N 3.38Å; A510-N512 VanDerWaalsContact C-N 3.35Å; A510-N512 PolarHBondContact O-N 3.22Å; N512-A514 VanDerWaalsContact C-N 3.31Å; N512-A514 PolarHBondContact O-N 3.31Å; N512-A515 PolarHBondContact O-N 3.1Å; N512-E516 WeakPolarHBondContact O-CB 3.44Å; N512-E516 WeakPolarHBondContact O-CG 3.37Å; N512-E516 PolarHBondContact O-N 3.35Å
513S97.5Very high95.9Very high23 Ų2329.6 Ų29.616%0.16114%0.139CC..Hα-helixtrans-60.9-40.6-178-61.10000111.5S509 E516 A517S509-S513 WeakPolarHBondContact O-CB 3.22Å; S509-S513 PolarHBondContact O-N 3.36Å; S509-S513 PolarHBondContact O-OG 3.02Å; S509-S513 VanDerWaalsContact O-OG 3.13Å; S513-E516 PolarHBondContact O-N 3.25Å; S513-A517 VanDerWaalsContact O-CB 3.28Å; S513-A517 WeakPolarHBondContact O-CB 3.4Å; S513-A517 PolarHBondContact O-N 3.2Å
514A97.8Very high95.6Very high0 Ų031.3 Ų31.30%015%0.15CC..Hα-helixtrans-65.4-42.2177.200000112.5V108 L111 A112 A510 N512 A518V108-A514 HydrophobicContact CG1-CB 4.24Å; V108-A514 WeakPolarHBondContact O-CB 3.4Å; L111-A514 HydrophobicContact CB-CB 3.78Å; L111-A514 HydrophobicContact CD2-CB 3.74Å; L111-A514 HydrophobicContact CG-CB 3.72Å; A112-A514 HydrophobicContact CB-CB 4.23Å; A510-A514 WeakPolarHBondContact O-CB 3.37Å; A510-A514 PolarHBondContact O-N 3.01Å; N512-A514 VanDerWaalsContact C-N 3.31Å; N512-A514 PolarHBondContact O-N 3.31Å; A514-A518 WeakPolarHBondContact O-CB 3.45Å; A514-A518 PolarHBondContact O-N 3.38Å
515A98Very high95.1Very high9 Ų935.6 Ų35.67%0.07417%0.173CC..Hα-helixtrans-68-40177.900000112.2L141 F446 L511 N512 A518 E519L141-A515 HydrophobicContact CD1-CB 4.01Å; L141-A515 HydrophobicContact CD2-CB 3.85Å; L141-A515 HydrophobicContact CG-CB 4.43Å; F446-A515 HydrophobicContact CE2-CB 4.11Å; F446-A515 HydrophobicContact CZ-CB 4.23Å; L511-A515 WeakPolarHBondContact O-CB 3.26Å; L511-A515 PolarHBondContact O-N 3.1Å; N512-A515 PolarHBondContact O-N 3.1Å; A515-A518 PolarHBondContact O-N 2.89Å; A515-E519 WeakPolarHBondContact O-CB 3.49Å; A515-E519 PolarHBondContact O-N 3Å
516E96.6Very high94.7Very high116 Ų11633.1 Ų33.154%0.54217%0.168SC..Hα-helixtrans-65.9-42.6175.9-73.2172.7-161.700111.5N512 S513 E519 M520N512-E516 WeakPolarHBondContact O-CB 3.44Å; N512-E516 WeakPolarHBondContact O-CG 3.37Å; N512-E516 PolarHBondContact O-N 3.35Å; S513-E516 PolarHBondContact O-N 3.25Å; E516-E519 PolarHBondContact O-N 3.12Å; E516-M520 WeakPolarHBondContact O-CB 3.29Å; E516-M520 PolarHBondContact O-N 2.95Å
517A95.7Very high94.3Very high1 Ų133 Ų331%0.00817%0.167CC..Hα-helixtrans-55.8-53.717300000111.5L90 I93 A112 S513 E519 M520 L521L90-A517 HydrophobicContact CD2-CB 3.92Å; I93-A517 HydrophobicContact CD1-CB 3.24Å; A112-A517 HydrophobicContact CB-CB 3.96Å; S513-A517 VanDerWaalsContact O-CB 3.28Å; S513-A517 WeakPolarHBondContact O-CB 3.4Å; S513-A517 PolarHBondContact O-N 3.2Å; A517-E519 VanDerWaalsContact C-N 3.33Å; A517-E519 PolarHBondContact O-N 2.83Å; A517-M520 PolarHBondContact O-N 3.05Å; A517-L521 WeakPolarHBondContact O-CG 3.27Å; A517-L521 PolarHBondContact O-N 3.45Å
518A96.2Very high93.8Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-64.6-39.8-177.200000111.2L115 L116 W137 A514 A515 L522L115-A518 HydrophobicContact CB-CB 3.65Å; L115-A518 HydrophobicContact CD1-CB 3.89Å; L115-A518 HydrophobicContact CG-CB 4.42Å; L116-A518 HydrophobicContact CD2-CB 4.37Å; L116-A518 HydrophobicContact CG-CB 4.29Å; W137-A518 HydrophobicContact CH2-CB 4.34Å; W137-A518 HydrophobicContact CZ3-CB 3.75Å; A514-A518 WeakPolarHBondContact O-CB 3.45Å; A514-A518 PolarHBondContact O-N 3.38Å; A515-A518 PolarHBondContact O-N 2.89Å; A518-L522 WeakPolarHBondContact O-CB 3.23Å; A518-L522 PolarHBondContact O-N 2.87Å
519E95.6Very high93.2Very high34 Ų3439.8 Ų39.816%0.15920%0.199CC..Hα-helixtrans-62.3-44.9174.4179.3176.3154.200111.9I134 R138 A515 E516 A517 L522 R523I134-E519 HydrophobicContact CD1-CG 4.3Å; I134-E519 HydrophobicContact CG1-CG 4.15Å; I134-E519 HydrophobicContact CG2-CG 3.76Å; R138-E519 IonicContact CZ-OE1 2.75Å; R138-E519 VanDerWaalsContact CZ-OE1 3.26Å; R138-E519 IonicContact CZ-OE2 3.78Å; R138-E519 IonicContact NE-OE1 3.56Å; R138-E519 PolarHBondContact NE-OE1 3.19Å; R138-E519 IonicContact NE-OE2 2.71Å; R138-E519 PolarHBondContact NE-OE2 3.22Å; R138-E519 IonicContact NH2-OE1 2.76Å; R138-E519 PolarHBondContact NH2-OE1 2.83Å; R138-E519 IonicContact NH2-OE2 2.71Å; A515-E519 WeakPolarHBondContact O-CB 3.49Å; A515-E519 PolarHBondContact O-N 3Å; E516-E519 PolarHBondContact O-N 3.12Å; A517-E519 VanDerWaalsContact C-N 3.33Å; A517-E519 PolarHBondContact O-N 2.83Å; E519-L522 PolarHBondContact O-N 3.33Å; E519-R523 WeakPolarHBondContact O-CD 3.37Å; E519-R523 VanDerWaalsContact O-CG 3.28Å; E519-R523 WeakPolarHBondContact O-CG 3.48Å; E519-R523 PolarHBondContact O-N 3.23Å; E519-R523 IonicContact OE1-CZ 2.84Å; E519-R523 IonicContact OE1-NE 2.8Å; E519-R523 PolarHBondContact OE1-NE 3.31Å; E519-R523 VanDerWaalsContact OE1-NE 3.12Å; E519-R523 IonicContact OE1-NH2 3.08Å; E519-R523 PolarHBondContact OE1-NH2 3.12Å
520M93.4Very high92.5Very high95 Ų9543.4 Ų43.447%0.46822%0.217SC..Hα-helixtrans-62.4-46.3179.8-175.1171.367.900111.3V89 E516 A517 R523V89-M520 HydrophobicContact CB-CE 4.05Å; V89-M520 HydrophobicContact CG1-CE 3.15Å; V89-M520 HydrophobicContact CG2-CE 3.68Å; E516-M520 WeakPolarHBondContact O-CB 3.29Å; E516-M520 PolarHBondContact O-N 2.95Å; A517-M520 PolarHBondContact O-N 3.05Å; M520-R523 PolarHBondContact O-N 2.85Å
521L93.4Very high91.5Very high4 Ų449.3 Ų49.32%0.02124%0.243CC..Hα-helixtrans-68.6-34.6-180-66.8177.4000112.7A36 A86 V89 L90 L116 A517 R523 V524A36-L521 HydrophobicContact CB-CD1 4.23Å; A86-L521 HydrophobicContact CB-CD1 4.07Å; A86-L521 HydrophobicContact CB-CD2 3.56Å; A86-L521 HydrophobicContact CB-CG 4.38Å; V89-L521 HydrophobicContact CB-CD2 4.04Å; V89-L521 HydrophobicContact CG1-CD1 4.21Å; V89-L521 HydrophobicContact CG1-CD2 4.07Å; V89-L521 HydrophobicContact CG1-CG 4.14Å; V89-L521 HydrophobicContact CG2-CD2 4.06Å; L90-L521 HydrophobicContact CD2-CD1 4.14Å; L90-L521 HydrophobicContact CG-CD1 4.37Å; L116-L521 HydrophobicContact CD1-CB 4.32Å; L116-L521 HydrophobicContact CD1-CD1 3.65Å; L116-L521 HydrophobicContact CD2-CB 3.87Å; A517-L521 WeakPolarHBondContact O-CG 3.27Å; A517-L521 PolarHBondContact O-N 3.45Å; L521-R523 PolarHBondContact O-N 3.38Å; L521-V524 WeakPolarHBondContact O-CB 3.36Å; L521-V524 PolarHBondContact O-N 2.73Å
522L92.6Very high90.3Very high1 Ų154.9 Ų54.91%0.00528%0.28CS..Hα-helixtrans-68-19.8175.7-177.258000113.3F33 A119 M123 P130 I133 I134 W137 A518 E519F33-L522 HydrophobicContact CZ-CD1 3.71Å; A119-L522 HydrophobicContact CB-CD1 4Å; A119-L522 HydrophobicContact CB-CD2 4.27Å; M123-L522 HydrophobicContact SD-CD1 3.97Å; P130-L522 HydrophobicContact CB-CD1 3.84Å; P130-L522 HydrophobicContact CB-CG 3.95Å; P130-L522 HydrophobicContact CG-CD1 4.35Å; I133-L522 HydrophobicContact CB-CD2 3.95Å; I133-L522 HydrophobicContact CG2-CD2 3.74Å; I134-L522 HydrophobicContact CD1-CD2 4.28Å; I134-L522 HydrophobicContact CD1-CG 4.22Å; I134-L522 HydrophobicContact CG1-CD2 3.61Å; I134-L522 HydrophobicContact CG1-CG 4.1Å; W137-L522 HydrophobicContact CE3-CD2 4.18Å; W137-L522 HydrophobicContact CH2-CD2 4.19Å; W137-L522 HydrophobicContact CZ3-CD2 3.74Å; A518-L522 WeakPolarHBondContact O-CB 3.23Å; A518-L522 PolarHBondContact O-N 2.87Å; E519-L522 PolarHBondContact O-N 3.33Å
523R91.4Very high89Confident116 Ų11664.6 Ų64.644%0.43831%0.314SS..THydrogen-bonded Turntrans-86.2-11.1176.3-70.4166.8175.2-113.4-1.1113.9I134 E519 M520 L521 D525I134-R523 HydrophobicContact CD1-CG 3.49Å; I134-R523 VanDerWaalsContact CD1-CG 3.49Å; E519-R523 WeakPolarHBondContact O-CD 3.37Å; E519-R523 VanDerWaalsContact O-CG 3.28Å; E519-R523 WeakPolarHBondContact O-CG 3.48Å; E519-R523 PolarHBondContact O-N 3.23Å; E519-R523 IonicContact OE1-CZ 2.84Å; E519-R523 IonicContact OE1-NE 2.8Å; E519-R523 PolarHBondContact OE1-NE 3.31Å; E519-R523 VanDerWaalsContact OE1-NE 3.12Å; E519-R523 IonicContact OE1-NH2 3.08Å; E519-R523 PolarHBondContact OE1-NH2 3.12Å; M520-R523 PolarHBondContact O-N 2.85Å; L521-R523 PolarHBondContact O-N 3.38Å; R523-D525 PolarHBondContact O-N 2.87Å
524V89.3Confident87.7Confident38 Ų3871.8 Ų71.823%0.2334%0.343CS..  trans-68.3125.6178.9179.70000108.7R29 L521 I527R29-V524 WeakPolarHBondContact CG-O 3.39Å; L521-V524 WeakPolarHBondContact O-CB 3.36Å; L521-V524 PolarHBondContact O-N 2.73Å; V524-I527 HydrophobicContact CG1-CG1 4.25Å
525D86.4Confident86.4Confident96 Ų9683.3 Ų83.351%0.51339%0.386SS..  trans-113.7-29.7174.163.2-27.4000112.4K24 G25 A28 R523K24-D525 CarbonylContact C-O 3.59Å; G25-D525 WeakPolarHBondContact CA-O 3.26Å; G25-D525 PolarHBondContact N-O 2.94Å; A28-D525 WeakPolarHBondContact CB-O 3.4Å; R523-D525 PolarHBondContact O-N 2.87Å
526N87.1Confident85.1Confident55 Ų5590.1 Ų90.129%0.29442%0.421SS..EExtended strand (participates in β ladder)trans-128.7141.4175.6-66.828.5000111.4E22 E23E22-N526 PolarHBondContact OE1-ND2 3.38Å; E23-N526 VanDerWaalsContact O-CA 3.28Å; E23-N526 WeakPolarHBondContact O-CA 3.08Å
527I85.8Confident84Confident12 Ų1291.7 Ų91.76%0.06243%0.432CS..EExtended strand (participates in β ladder)trans-111.5120.5164.8-60.5170.2000107.1E22 E23 A28 S32 P85 V524 K529E22-I527 WeakPolarHBondContact CA-O 3.42Å; E23-I527 HydrophobicContact CB-CB 4.34Å; E23-I527 PolarHBondContact N-O 3.24Å; E23-I527 PolarHBondContact O-N 3.41Å; A28-I527 HydrophobicContact CB-CD1 4.39Å; A28-I527 HydrophobicContact CB-CG1 4.1Å; A28-I527 WeakPolarHBondContact O-CD1 3.17Å; S32-I527 WeakPolarHBondContact OG-CD1 3.42Å; P85-I527 HydrophobicContact CG-CG2 4.07Å; V524-I527 HydrophobicContact CG1-CG1 4.25Å; I527-K529 HydrophobicContact CG2-CG 4.07Å
528I86.6Confident83Confident95 Ų9596.6 Ų96.649%0.48746%0.458SS..EExtended strand (participates in β ladder)trans-111.4115.4177.1-57174.9000107.2V20 E21 E22V20-I528 HydrophobicContact CG1-CG2 3.37Å; E21-I528 WeakPolarHBondContact O-CA 3.37Å; E22-I528 HydrophobicContact CG-CG1 4.2Å
529K83.5Confident81.9Confident85 Ų85104.9 Ų104.937%0.3750%0.497SS..EExtended strand (participates in β ladder)trans-105.2122.8175.8-57.5175.7-164.7152.20108.2V20 E21 E23 I527V20-K529 WeakPolarHBondContact CA-O 3.43Å; E21-K529 HydrophobicContact CB-CB 4.32Å; E21-K529 PolarHBondContact N-O 3.26Å; E21-K529 PolarHBondContact O-N 3.12Å; E23-K529 IonicContact OE1-NZ 2.74Å; E23-K529 PolarHBondContact OE1-NZ 3.1Å; I527-K529 HydrophobicContact CG2-CG 4.07Å
530D82.6Confident80.6Confident96 Ų96112.1 Ų112.151%0.51352%0.523SS..  trans-128142.5176.6-169.814.3000108.7V20V20-D530 HydrophobicContact CG2-CB 4.22Å
531E76Confident79.1Confident126 Ų126113.6 Ų113.659%0.58954%0.539SS*.  trans-67.3148.6172.1-74.3-171.3168.600109.1R533E531-R533 PolarHBondContact O-N 3Å; E531-R533 VanDerWaalsContact O-N 3.16Å
532P72.5Confident77.4Confident121 Ų121123 Ų12379%0.78660%0.603SS**  trans-54.1128.9172.8-18.929.6000109.2K534P532-K534 PolarHBondContact O-N 3.45Å
533R71.5Confident76.6Confident233 Ų233129.2 Ų129.288%0.87963%0.633SS**  trans-44.8120.3176.8-81.8-174.4179.2178-0.2109.7E531 R535E531-R533 PolarHBondContact O-N 3Å; E531-R533 VanDerWaalsContact O-N 3.16Å; R533-R535 PolarHBondContact O-N 3.03Å
534K70.9Confident75.8Confident175 Ų175129.8 Ų129.876%0.76164%0.644SS**  trans-55.6118.6175.6-68.6-179.6-177.5173.80107.3P532 D536P532-K534 PolarHBondContact O-N 3.45Å; K534-D536 PolarHBondContact O-N 3.11Å
535R68.7Low75.1Confident242 Ų242134.9 Ų134.991%0.91367%0.667SS**  trans-70112.6171.7-74-176.2173.5-176.2-1.5106.4R533R533-R535 PolarHBondContact O-N 3.03Å
536D72.4Confident74.4Confident151 Ų151137.2 Ų137.281%0.80768%0.676SS**  trans-55.8141.5164.4-68.9-37.5000108.5K534 D538K534-D536 PolarHBondContact O-N 3.11Å; D536-D538 PolarHBondContact O-N 3.41Å; D536-D538 VanDerWaalsContact O-N 3.15Å
537I73Confident73.6Confident150 Ų150142.4 Ų142.477%0.76970%0.699SS**  trans-56.7122.1176.1-60.8171.6000106.6E539I537-E539 VanDerWaalsContact C-N 3.33Å; I537-E539 PolarHBondContact O-N 3.42Å
538D73.6Confident72.8Confident103 Ų103151.1 Ų151.155%0.55174%0.742SS**  trans-69.394.7176.8-161.5-12.9000108D536 R540D536-D538 PolarHBondContact O-N 3.41Å; D536-D538 VanDerWaalsContact O-N 3.15Å; D538-R540 PolarHBondContact O-N 2.93Å; D538-R540 WeakPolarHBondContact OD1-CB 3.41Å; D538-R540 WeakPolarHBondContact OD1-CG 3.41Å; D538-R540 IonicContact OD1-CZ 2.76Å; D538-R540 PolarHBondContact OD1-N 2.82Å; D538-R540 IonicContact OD1-NE 2.7Å; D538-R540 PolarHBondContact OD1-NE 2.81Å; D538-R540 IonicContact OD1-NH2 3.55Å; D538-R540 PolarHBondContact OD1-NH2 2.67Å; D538-R540 IonicContact OD2-CZ 4Å; D538-R540 IonicContact OD2-NE 3.59Å; D538-R540 PolarHBondContact OD2-NE 3.39Å; D538-R540 IonicContact OD2-NH2 2.61Å; D538-R540 PolarHBondContact OD2-NH2 3.08Å
539E73.5Confident71.8Confident175 Ų175155.1 Ų155.182%0.81876%0.76SS**  trans-74.73.9179.1-66.3-169.3165.900113I537 P541I537-E539 VanDerWaalsContact C-N 3.33Å; I537-E539 PolarHBondContact O-N 3.42Å; E539-P541 WeakPolarHBondContact O-CD 3.22Å
540R67.5Low70.9Confident186 Ų186160.5 Ų160.570%0.70279%0.79SS**SBendtrans-64.1125.5175.3-74179.5-76.6-169.5-0.6109.2D538 C542D538-R540 PolarHBondContact O-N 2.93Å; D538-R540 WeakPolarHBondContact OD1-CB 3.41Å; D538-R540 WeakPolarHBondContact OD1-CG 3.41Å; D538-R540 IonicContact OD1-CZ 2.76Å; D538-R540 PolarHBondContact OD1-N 2.82Å; D538-R540 IonicContact OD1-NE 2.7Å; D538-R540 PolarHBondContact OD1-NE 2.81Å; D538-R540 IonicContact OD1-NH2 3.55Å; D538-R540 PolarHBondContact OD1-NH2 2.67Å; D538-R540 IonicContact OD2-CZ 4Å; D538-R540 IonicContact OD2-NE 3.59Å; D538-R540 PolarHBondContact OD2-NE 3.39Å; D538-R540 IonicContact OD2-NH2 2.61Å; D538-R540 PolarHBondContact OD2-NH2 3.08Å; R540-C542 PolarHBondContact O-N 2.76Å
541P62.5Low70Confident125 Ų125165.8 Ų165.881%0.81281%0.813SS**  trans-58.5132.1176.822.3-30000109.1E539E539-P541 WeakPolarHBondContact O-CD 3.22Å
542C57.5Low69.4Low203 Ų203169.5 Ų169.5100%1.37283%0.834SS**  trans-55.90-179.9-52.50000113R540R540-C542 PolarHBondContact O-N 2.76Å

Retrieved 542 of 542 residues in 723.2 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).