A0A096N0A0_PAPAN Loading...

NIF3-like protein 1

May function as a transcriptional corepressor through its interaction with COPS2, negatively regulating the expression of genes involved in neuronal differentiation.

AlphaFold DB , UniProt , Accession A0A096N0A0, Species PAPAN (Papio anubis, Olive baboon), Gene NIF3L1, Length 377 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low35Very low248 Ų248148.7 Ų148.7100%1.22285%0.854SS**  0134.10-76.6-176.8-174.900108
2L33.8Very low35.1Very low183 Ų183147.3 Ų147.396%0.95885%0.85SS**  trans-63.4137.3-163.9-67.5141.4000113.2
3S33.4Very low35.1Very low124 Ų124143.8 Ų143.887%0.86783%0.832SS**  trans-140.1110153.3-175.50000108.2
4S33.2Very low34.9Very low111 Ų111149.9 Ų149.978%0.77683%0.834SS**  trans-78.1127.517945.80000110.3
5C35.6Very low34.8Very low120 Ų120151.9 Ų151.981%0.81183%0.831SS**  trans-107.1109.3168.6-156.50000107.4
6V37.5Very low34.7Very low130 Ų130150.7 Ų150.779%0.78883%0.83SS**  trans-119.4112.4172.6-179.50000107.8
7R36Very low34.7Very low223 Ų223150.3 Ų150.384%0.84283%0.826SS**PPolyproline II helixtrans-88.9128.3167.3-71.7-179.3176.7-175.4-1.5108.4
8P34Very low34.7Very low124 Ų124147.3 Ų147.381%0.80582%0.818SS**PPolyproline II helixtrans-78.5136.8170.928.9-29.2000111.2
9V37.9Very low35.3Very low125 Ų125148.1 Ų148.176%0.75882%0.819SS**PPolyproline II helixtrans-83.8142.9170.1178.10000108.1T11V9-T11 PolarHBondContact O-N 3.44Å
10P32.6Very low35.5Very low120 Ų120148 Ų14878%0.77982%0.816SS**PPolyproline II helixtrans-78.7123-17828.1-26000110.8
11T33.6Very low35.9Very low128 Ų128147 Ų14779%0.78582%0.818SS**  trans-88.7109.9172.5-36.80000109V9 V13V9-T11 PolarHBondContact O-N 3.44Å; T11-V13 PolarHBondContact O-N 3.14Å; T11-V13 VanDerWaalsContact O-N 3.14Å
12T36.3Very low35.8Very low132 Ų132138.1 Ų138.181%0.8179%0.79SS**  trans-70.3103.9173.6-41.40000109.4R14T12-R14 PolarHBondContact O-N 3.34Å
13V34.5Very low36.3Very low102 Ų102134.5 Ų134.562%0.61878%0.78SS**  trans-85.7108.8170.4-179.40000108T11 F15T11-V13 PolarHBondContact O-N 3.14Å; T11-V13 VanDerWaalsContact O-N 3.14Å; V13-F15 HydrophobicContact CG1-CD2 4.42Å; V13-F15 HydrophobicContact CG1-CE2 4.26Å; V13-F15 PolarHBondContact O-N 3.16Å
14R32.5Very low37.2Very low229 Ų229133.5 Ų133.586%0.86477%0.773SS**  trans-72.6107.2165.5-81.8-176.7171.2-175.4-2.7107.9T12 V16T12-R14 PolarHBondContact O-N 3.34Å; R14-V16 PolarHBondContact O-N 3.22Å
15F32.8Very low38.3Very low179 Ų179138.1 Ų138.179%0.78577%0.773SS**  trans-68.1116.9161.3-78.1-87.4000107.8V13 D17V13-F15 HydrophobicContact CG1-CD2 4.42Å; V13-F15 HydrophobicContact CG1-CE2 4.26Å; V13-F15 PolarHBondContact O-N 3.16Å; F15-D17 PolarHBondContact O-N 2.89Å
16V33.1Very low40.4Very low133 Ų133134.9 Ų134.981%0.80675%0.752SS**  trans-79.4107.3165.6-177.60000105.2R14 S18R14-V16 PolarHBondContact O-N 3.22Å; V16-S18 PolarHBondContact O-N 3.23Å
17D35Very low42.9Very low144 Ų144133.9 Ų133.977%0.7774%0.737SS**  trans-59.9103.3169.2-81.1-37.5000108.7F15 L19F15-D17 PolarHBondContact O-N 2.89Å; D17-L19 PolarHBondContact O-N 2.86Å
18S35.4Very low45.8Very low96 Ų96124.3 Ų124.367%0.67170%0.702SS**  trans-73.785.7164.9160.60000108.2V16 I20V16-S18 PolarHBondContact O-N 3.23Å; S18-I20 VanDerWaalsContact C-N 3.29Å; S18-I20 PolarHBondContact O-N 3.45Å
19L45Very low48.8Very low162 Ų162122 Ų12285%0.84868%0.683SS**  trans-6491.4155.9-84.1157.9000108.6D17D17-L19 PolarHBondContact O-N 2.86Å
20I40.1Very low51.7Low146 Ų146116.3 Ų116.375%0.74965%0.649SS**  trans-121.884.3156.2-57.3-179.8000106.9S18 G22S18-I20 VanDerWaalsContact C-N 3.29Å; S18-I20 PolarHBondContact O-N 3.45Å; I20-G22 PolarHBondContact O-N 3.08Å
21C44.3Very low54.8Low129 Ų129118.6 Ų118.687%0.87265%0.646SS**  trans-71.495161.9179.90000107.9
22G35.2Very low57.8Low60 Ų60114.7 Ų114.762%0.61963%0.627SS**  trans-121.9106159.900000107.3I20 S24I20-G22 PolarHBondContact O-N 3.08Å; G22-S24 PolarHBondContact O-N 3.47Å
23S45.1Very low60.8Low108 Ų108108.4 Ų108.476%0.75559%0.588SS**  trans-58.8106.3167.3126.50000106.7R25S23-R25 PolarHBondContact O-N 3.06Å
24S52.5Low63.8Low103 Ų103105.1 Ų105.172%0.7257%0.567SS**  trans-53.4122164.2171.10000106.4G22 S26G22-S24 PolarHBondContact O-N 3.47Å; S24-S26 PolarHBondContact O-N 2.77Å
25R56.4Low67Low208 Ų20897.3 Ų97.379%0.78555%0.547SS*.  trans-66.1106.6173.4-71.3-177.9176.5179.9-1.4106.8S23 F27S23-R25 PolarHBondContact O-N 3.06Å; R25-F27 HydrophobicContact CB-CD1 3.82Å; R25-F27 HydrophobicContact CB-CE1 3.88Å; R25-F27 VanDerWaalsContact O-CD1 3.28Å; R25-F27 WeakPolarHBondContact O-CD1 3.27Å; R25-F27 PolarHBondContact O-N 2.67Å
26S78.7Confident70.1Confident52 Ų5290 Ų9036%0.36452%0.519SS..  trans-74.6102176.1-1160000109.1S24 N360 K361S24-S26 PolarHBondContact O-N 2.77Å; S26-N360 PolarHBondContact OG-O 3.12Å; S26-N360 VanDerWaalsContact OG-O 3.07Å; S26-K361 CarbonylContact C-O 3.32Å; S26-K361 WeakPolarHBondContact CA-O 3.5Å; S26-K361 WeakPolarHBondContact CB-O 3.41Å; S26-K361 VanDerWaalsContact OG-CA 3.23Å; S26-K361 WeakPolarHBondContact OG-CA 3.5Å; S26-K361 PolarHBondContact OG-O 2.71Å
27F89.7Confident73.2Confident108 Ų10883.7 Ų83.747%0.47448%0.481SS..  trans-149159.417266-96.4000111.4R25 T63 V64 N65 K361R25-F27 HydrophobicContact CB-CD1 3.82Å; R25-F27 HydrophobicContact CB-CE1 3.88Å; R25-F27 VanDerWaalsContact O-CD1 3.28Å; R25-F27 WeakPolarHBondContact O-CD1 3.27Å; R25-F27 PolarHBondContact O-N 2.67Å; F27-T63 HydrophobicContact CB-CG2 3.48Å; F27-T63 VanDerWaalsContact CB-CG2 3.48Å; F27-T63 HydrophobicContact CD2-CG2 3.4Å; F27-T63 HydrophobicContact CE2-CG2 4.32Å; F27-T63 HydrophobicContact CG-CG2 3.62Å; F27-V64 WeakPolarHBondContact CA-O 3.46Å; F27-N65 WeakPolarHBondContact CB-OD1 3.37Å; F27-K361 PolarHBondContact N-O 3.27Å; F27-K361 VanDerWaalsContact N-O 3.07Å
28M97Very high76.2Confident22 Ų2279.5 Ų79.511%0.10846%0.458CS..EExtended strand (participates in β ladder)trans-129146.9172.2-65.8-177.780.700110.5L33 T63 V64 L358 K361 I362M28-L33 HydrophobicContact CB-CB 4.17Å; M28-L33 HydrophobicContact SD-CD1 4.04Å; M28-T63 WeakPolarHBondContact O-CA 3.02Å; M28-V64 PolarHBondContact N-O 3.1Å; M28-V64 PolarHBondContact O-N 3.2Å; M28-L358 HydrophobicContact CE-CD2 4.37Å; M28-L358 HydrophobicContact SD-CD2 4.14Å; M28-K361 HydrophobicContact CG-CB 4.09Å; M28-K361 HydrophobicContact SD-CB 4.09Å; M28-K361 HydrophobicContact SD-CD 4.4Å; M28-I362 HydrophobicContact CB-CG2 4.19Å; M28-I362 HydrophobicContact CG-CG2 3.87Å; M28-I362 HydrophobicContact SD-CG2 4.29Å
29D97.4Very high79.1Confident75 Ų7580.2 Ų80.240%0.40146%0.455SS..EExtended strand (participates in β ladder)trans-63.6140.5163.4173-94.7000109.6K31 A32 L33D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.02Å; D29-K31 WeakPolarHBondContact OD1-CA 3.27Å; D29-K31 WeakPolarHBondContact OD1-CB 3.32Å; D29-K31 PolarHBondContact OD1-N 3.19Å; D29-A32 HydrophobicContact CB-CB 4.19Å; D29-A32 WeakPolarHBondContact O-CB 3.38Å; D29-A32 PolarHBondContact O-N 3.49Å; D29-A32 VanDerWaalsContact O-N 3.11Å; D29-A32 PolarHBondContact OD1-N 2.95Å; D29-L33 PolarHBondContact O-N 3.02Å
30L98.2Very high81.5Confident7 Ų773.7 Ų73.74%0.03742%0.419CS..Hα-helixtrans-54.6-43.8-176.9177.162000112.1A32 L33 L34 L54 E57 H62 V64 L88L30-A32 PolarHBondContact O-N 3.28Å; L30-L33 PolarHBondContact O-N 3.46Å; L30-L34 HydrophobicContact CD1-CD1 4.06Å; L30-L34 HydrophobicContact CD1-CG 4.1Å; L30-L34 HydrophobicContact CG-CD1 3.93Å; L30-L34 HydrophobicContact CG-CG 4.39Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.2Å; L30-L34 PolarHBondContact O-N 3.4Å; L30-L54 HydrophobicContact CD2-CD2 4.35Å; L30-E57 HydrophobicContact CD2-CG 4.42Å; L30-H62 HydrophobicContact CB-CB 4.11Å; L30-H62 HydrophobicContact CD2-CB 4.21Å; L30-H62 PolarHBondContact N-O 2.84Å; L30-V64 HydrophobicContact CB-CG2 4.43Å; L30-V64 HydrophobicContact CD1-CG2 4.03Å; L30-L88 HydrophobicContact CD1-CD1 4.2Å; L30-L88 HydrophobicContact CD1-CD2 4.13Å
31K97.7Very high84.2Confident167 Ų16766.8 Ų66.873%0.72638%0.384SS*.Hα-helixtrans-66.6-39.6-179.2-173.2-179.5179.1178.80111.3D29 L34 S35D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.02Å; D29-K31 WeakPolarHBondContact OD1-CA 3.27Å; D29-K31 WeakPolarHBondContact OD1-CB 3.32Å; D29-K31 PolarHBondContact OD1-N 3.19Å; K31-L34 PolarHBondContact O-N 3.35Å; K31-S35 PolarHBondContact O-N 3.35Å
32A97.8Very high86.6Confident46 Ų4662 Ų6238%0.3835%0.352SS..Hα-helixtrans-64.7-41.1175.600000112D29 L30 S35 S36D29-A32 HydrophobicContact CB-CB 4.19Å; D29-A32 WeakPolarHBondContact O-CB 3.38Å; D29-A32 PolarHBondContact O-N 3.49Å; D29-A32 VanDerWaalsContact O-N 3.11Å; D29-A32 PolarHBondContact OD1-N 2.95Å; L30-A32 PolarHBondContact O-N 3.28Å; A32-S35 PolarHBondContact O-N 2.89Å; A32-S36 PolarHBondContact O-N 3.38Å; A32-S36 PolarHBondContact O-OG 2.96Å
33L98.4Very high89.5Confident0 Ų061.2 Ų61.20%033%0.334CS..Hα-helixtrans-64.1-45.917517858.3000111.5M28 D29 L30 S35 S36 L37 V64 L88 L358 I362M28-L33 HydrophobicContact CB-CB 4.17Å; M28-L33 HydrophobicContact SD-CD1 4.04Å; D29-L33 PolarHBondContact O-N 3.02Å; L30-L33 PolarHBondContact O-N 3.46Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 3.2Å; L33-S36 CarbonylContact O-C 3.53Å; L33-S36 WeakPolarHBondContact O-CB 3.32Å; L33-S36 PolarHBondContact O-N 3.04Å; L33-S36 VanDerWaalsContact O-N 3.08Å; L33-L37 HydrophobicContact CD1-CD1 4.5Å; L33-L37 HydrophobicContact CD1-CG 4.22Å; L33-L37 HydrophobicContact CG-CD1 4.27Å; L33-L37 HydrophobicContact CG-CG 4.43Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.4Å; L33-V64 HydrophobicContact CD2-CB 3.77Å; L33-V64 HydrophobicContact CD2-CG1 3.54Å; L33-V64 HydrophobicContact CD2-CG2 3.95Å; L33-L88 HydrophobicContact CD2-CD2 3.64Å; L33-L88 HydrophobicContact CG-CD2 4.34Å; L33-L358 HydrophobicContact CD1-CD1 3.66Å; L33-L358 HydrophobicContact CD1-CD2 3.9Å; L33-L358 HydrophobicContact CD1-CG 4.46Å; L33-I362 HydrophobicContact CD1-CD1 3.84Å; L33-I362 HydrophobicContact CD2-CD1 3.89Å
34L98.6Very high91.9Very high33 Ų3359.4 Ų59.417%0.17332%0.321CS..Hα-helixtrans-61.6-39.5177.9-68.9170.8000112.5L30 K31 S36 L37 N38 L54 Y124L30-L34 HydrophobicContact CD1-CD1 4.06Å; L30-L34 HydrophobicContact CD1-CG 4.1Å; L30-L34 HydrophobicContact CG-CD1 3.93Å; L30-L34 HydrophobicContact CG-CG 4.39Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.2Å; L30-L34 PolarHBondContact O-N 3.4Å; K31-L34 PolarHBondContact O-N 3.35Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-N38 WeakPolarHBondContact O-CB 3.44Å; L34-N38 PolarHBondContact O-N 3.11Å; L34-L54 HydrophobicContact CD1-CB 4.13Å; L34-L54 HydrophobicContact CD1-CD1 4.21Å; L34-L54 HydrophobicContact CD1-CD2 3.75Å; L34-L54 HydrophobicContact CD1-CG 4.26Å; L34-L54 HydrophobicContact CD2-CB 4.35Å; L34-L54 HydrophobicContact CD2-CD1 4.29Å; L34-Y124 HydrophobicContact CD2-CD2 3.46Å; L34-Y124 VanDerWaalsContact CD2-CD2 3.46Å; L34-Y124 HydrophobicContact CD2-CE2 3.98Å; L34-Y124 HydrophobicContact CD2-CG 4.18Å
35S98.2Very high93.9Very high65 Ų6556.1 Ų56.146%0.45529%0.293SS..Hα-helixtrans-59.7-46.2171.7-167.80000110.9K31 A32 L33 L37 N38 D39K31-S35 PolarHBondContact O-N 3.35Å; A32-S35 PolarHBondContact O-N 2.89Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 3.2Å; S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 2.99Å; S35-N38 PolarHBondContact O-N 2.93Å; S35-N38 VanDerWaalsContact O-N 3.17Å; S35-D39 VanDerWaalsContact O-CG 3.25Å; S35-D39 PolarHBondContact O-N 2.9Å
36S98.3Very high95.9Very high27 Ų2747.3 Ų47.319%0.18927%0.265CS..Hα-helixtrans-64.6-37.7-180-54.90000112.3A32 L33 L34 D39 F40 H357A32-S36 PolarHBondContact O-N 3.38Å; A32-S36 PolarHBondContact O-OG 2.96Å; L33-S36 CarbonylContact O-C 3.53Å; L33-S36 WeakPolarHBondContact O-CB 3.32Å; L33-S36 PolarHBondContact O-N 3.04Å; L33-S36 VanDerWaalsContact O-N 3.08Å; L34-S36 VanDerWaalsContact C-N 3.33Å; S36-D39 PolarHBondContact O-N 3.3Å; S36-F40 PolarHBondContact O-N 2.91Å; S36-H357 PolarHBondContact O-NE2 2.9Å
37L98.3Very high96.7Very high0 Ų048.2 Ų48.20%026%0.264CS..Hα-helixtrans-66.1-37.2174-69.3175.5000112L33 L34 S35 F40 A41 L88 Y124 L354L33-L37 HydrophobicContact CD1-CD1 4.5Å; L33-L37 HydrophobicContact CD1-CG 4.22Å; L33-L37 HydrophobicContact CG-CD1 4.27Å; L33-L37 HydrophobicContact CG-CG 4.43Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.4Å; L34-L37 PolarHBondContact O-N 3.17Å; S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 2.99Å; L37-F40 WeakPolarHBondContact O-CB 3.37Å; L37-F40 PolarHBondContact O-N 3.32Å; L37-A41 PolarHBondContact O-N 2.84Å; L37-A41 VanDerWaalsContact O-N 3.11Å; L37-L88 HydrophobicContact CD1-CD2 4.4Å; L37-Y124 HydrophobicContact CD1-CD1 4.12Å; L37-Y124 HydrophobicContact CD1-CE1 4.07Å; L37-Y124 HydrophobicContact CD1-CG 4.43Å; L37-L354 HydrophobicContact CD2-CD1 4.1Å; L37-L354 HydrophobicContact CD2-CD2 3.81Å
38N97.5Very high96.9Very high55 Ų5549 Ų4929%0.29428%0.283SS..Hα-helixtrans-71.2-32.6174.4-172.481.6000112.3L34 S35 A41 S42 L43L34-N38 WeakPolarHBondContact O-CB 3.44Å; L34-N38 PolarHBondContact O-N 3.11Å; S35-N38 PolarHBondContact O-N 2.93Å; S35-N38 VanDerWaalsContact O-N 3.17Å; N38-A41 CarbonylContact O-C 3.53Å; N38-S42 WeakPolarHBondContact O-CA 3.36Å; N38-S42 PolarHBondContact O-N 2.83Å; N38-L43 PolarHBondContact OD1-N 2.94Å
39D96.2Very high96.8Very high112 Ų11255 Ų5560%0.59930%0.304SS*.Hα-helixtrans-70.1-34.5173.1-66.8-24.5000111.7S35 S36S35-D39 VanDerWaalsContact O-CG 3.25Å; S35-D39 PolarHBondContact O-N 2.9Å; S36-D39 PolarHBondContact O-N 3.3Å
40F96.6Very high96.8Very high24 Ų2452.5 Ų52.511%0.10529%0.291CS..Hα-helixtrans-60.1-56.6171.3177.4-99000109.8S36 L37 Y130 Q135 L350 M353 L354 H357S36-F40 PolarHBondContact O-N 2.91Å; L37-F40 WeakPolarHBondContact O-CB 3.37Å; L37-F40 PolarHBondContact O-N 3.32Å; F40-Y130 HydrophobicContact CD1-CE1 4.22Å; F40-Y130 HydrophobicContact CD1-CE2 4.24Å; F40-Y130 AromaticContact CD1-CZ 3.74Å; F40-Y130 WeakPolarHBondContact CD1-OH 3.41Å; F40-Y130 HydrophobicContact CE1-CE2 4.06Å; F40-Q135 HydrophobicContact CE1-CG 4.13Å; F40-Q135 HydrophobicContact CE2-CG 4Å; F40-Q135 HydrophobicContact CZ-CG 3.58Å; F40-Q135 PolarHBondContact O-NE2 3.3Å; F40-L350 HydrophobicContact CE1-CD1 3.63Å; F40-L350 HydrophobicContact CZ-CD1 3.87Å; F40-M353 HydrophobicContact CE2-CB 3.97Å; F40-M353 HydrophobicContact CZ-CB 4.09Å; F40-M353 HydrophobicContact CZ-CE 4.06Å; F40-M353 HydrophobicContact CZ-SD 4.32Å; F40-L354 HydrophobicContact CB-CD2 4.3Å; F40-L354 HydrophobicContact CD1-CD2 3.89Å; F40-L354 HydrophobicContact CD2-CD2 4Å; F40-L354 HydrophobicContact CE1-CD2 4.17Å; F40-L354 HydrophobicContact CE2-CD2 4.28Å; F40-L354 HydrophobicContact CG-CD2 3.79Å; F40-L354 HydrophobicContact CZ-CD2 4.36Å; F40-H357 HydrophobicContact CD2-CB 4.21Å
41A95.4Very high96.7Very high2 Ų255.1 Ų55.12%0.01731%0.305CS..SBendtrans-145.8117.7171.900000110.6L37 N38 L43 Y130 A133L37-A41 PolarHBondContact O-N 2.84Å; L37-A41 VanDerWaalsContact O-N 3.11Å; N38-A41 CarbonylContact O-C 3.53Å; A41-L43 PolarHBondContact O-N 2.79Å; A41-Y130 HydrophobicContact CB-CD1 3.58Å; A41-Y130 HydrophobicContact CB-CE1 3.43Å; A41-Y130 VanDerWaalsContact CB-CE1 3.43Å; A41-A133 HydrophobicContact CB-CB 3.74Å
42S96Very high96.8Very high27 Ų2748.8 Ų48.819%0.18928%0.28CS..  trans-62.7131.2-174.5-178.80000111.2N38 S44 F45N38-S42 WeakPolarHBondContact O-CA 3.36Å; N38-S42 PolarHBondContact O-N 2.83Å; S42-S44 PolarHBondContact O-N 2.87Å; S42-S44 VanDerWaalsContact O-N 3.11Å; S42-S44 WeakPolarHBondContact OG-CB 3.46Å; S42-S44 PolarHBondContact OG-N 3.02Å; S42-S44 PolarHBondContact OG-OG 3.39Å; S42-F45 WeakPolarHBondContact O-CB 3.25Å; S42-F45 VanDerWaalsContact O-CD2 3.29Å; S42-F45 WeakPolarHBondContact O-CD2 3.42Å; S42-F45 VanDerWaalsContact O-CG 3.31Å; S42-F45 WeakPolarHBondContact O-CG 3.41Å; S42-F45 PolarHBondContact O-N 3.33Å
43L96.5Very high96.8Very high45 Ų4546.9 Ų46.924%0.23627%0.265CS..G310 helixtrans-61.9-18.2172.4-64.8-178.1000112.4N38 A41 F45 A46 V52 G53 Y124 A129N38-L43 PolarHBondContact OD1-N 2.94Å; A41-L43 PolarHBondContact O-N 2.79Å; L43-F45 PolarHBondContact O-N 2.93Å; L43-F45 VanDerWaalsContact O-N 3.12Å; L43-A46 WeakPolarHBondContact O-CB 3.26Å; L43-A46 PolarHBondContact O-N 3.36Å; L43-A46 VanDerWaalsContact O-N 3.13Å; L43-V52 HydrophobicContact CB-CG2 4.06Å; L43-V52 HydrophobicContact CD2-CB 3.96Å; L43-V52 HydrophobicContact CD2-CG2 3.9Å; L43-V52 HydrophobicContact CG-CG2 4.38Å; L43-G53 VanDerWaalsContact CD1-CA 3.48Å; L43-Y124 HydrophobicContact CD1-CE2 4.3Å; L43-Y124 HydrophobicContact CD2-CE2 4.45Å; L43-Y124 WeakPolarHBondContact CD2-OH 3.39Å; L43-A129 HydrophobicContact CD2-CB 4.21Å
44S94.6Very high96.8Very high69 Ų6949.3 Ų49.348%0.48328%0.277SS..G310 helixtrans-65.5-9.1173.174.70000114.1S42S42-S44 PolarHBondContact O-N 2.87Å; S42-S44 VanDerWaalsContact O-N 3.11Å; S42-S44 WeakPolarHBondContact OG-CB 3.46Å; S42-S44 PolarHBondContact OG-N 3.02Å; S42-S44 PolarHBondContact OG-OG 3.39Å
45F95.3Very high96.8Very high34 Ų3449.2 Ų49.215%0.14928%0.277CS..G310 helixtrans-85-13.7175.4-54.4-29.3000113.1S42 L43 A132 L245 T248 M250S42-F45 WeakPolarHBondContact O-CB 3.25Å; S42-F45 VanDerWaalsContact O-CD2 3.29Å; S42-F45 WeakPolarHBondContact O-CD2 3.42Å; S42-F45 VanDerWaalsContact O-CG 3.31Å; S42-F45 WeakPolarHBondContact O-CG 3.41Å; S42-F45 PolarHBondContact O-N 3.33Å; L43-F45 PolarHBondContact O-N 2.93Å; L43-F45 VanDerWaalsContact O-N 3.12Å; F45-A132 HydrophobicContact CB-CB 3.77Å; F45-L245 HydrophobicContact CD1-CD1 4.24Å; F45-L245 HydrophobicContact CE1-CD1 3.65Å; F45-L245 HydrophobicContact CZ-CD1 4.38Å; F45-T248 HydrophobicContact CB-CG2 4.15Å; F45-T248 HydrophobicContact CD1-CG2 3.77Å; F45-T248 HydrophobicContact CD2-CG2 3.73Å; F45-T248 HydrophobicContact CE1-CG2 4.04Å; F45-T248 HydrophobicContact CE2-CG2 3.99Å; F45-T248 HydrophobicContact CG-CG2 3.62Å; F45-T248 HydrophobicContact CZ-CG2 4.14Å; F45-M250 WeakPolarHBondContact O-CE 3.39Å
46A96.9Very high96.8Very high24 Ų2446.4 Ų46.420%0.19826%0.257CS..SBendtrans-62.6153.5179.300000112.2L43 D50 V52 T128 A129L43-A46 WeakPolarHBondContact O-CB 3.26Å; L43-A46 PolarHBondContact O-N 3.36Å; L43-A46 VanDerWaalsContact O-N 3.13Å; A46-D50 HydrophobicContact CB-CB 4.48Å; A46-V52 HydrophobicContact CB-CB 4.4Å; A46-V52 HydrophobicContact CB-CG1 3.79Å; A46-V52 HydrophobicContact CB-CG2 3.73Å; A46-T128 VanDerWaalsContact CA-OG1 3.29Å; A46-T128 WeakPolarHBondContact CA-OG1 3.34Å; A46-T128 WeakPolarHBondContact CB-OG1 3.3Å; A46-A129 HydrophobicContact CB-CB 4.13Å
47E95.8Very high96.8Very high70 Ų7051 Ų5133%0.32728%0.276SS..  trans-62.2149.9169.7-77.9-56.7143.600111.6W49 D50 T128 M250E47-W49 HydrophobicContact CB-CD2 4.06Å; E47-W49 VanDerWaalsContact CB-CE2 3.48Å; E47-W49 HydrophobicContact CB-CG 4.25Å; E47-W49 HydrophobicContact CB-CZ2 3.85Å; E47-W49 VanDerWaalsContact CB-NE1 3.32Å; E47-W49 HydrophobicContact CG-CZ2 3.87Å; E47-W49 PolarHBondContact O-N 3.32Å; E47-D50 HydrophobicContact CB-CB 4.4Å; E47-D50 WeakPolarHBondContact O-CB 3.38Å; E47-D50 PolarHBondContact O-N 2.88Å; E47-D50 VanDerWaalsContact O-N 3.08Å; E47-T128 HydrophobicContact CB-CG2 4.41Å; E47-T128 HydrophobicContact CG-CG2 4.33Å; E47-T128 PolarHBondContact N-OG1 2.88Å; E47-M250 HydrophobicContact CG-CE 3.85Å; E47-M250 HydrophobicContact CG-CG 4.5Å; E47-M250 WeakPolarHBondContact OE1-CE 3.29Å; E47-M250 WeakPolarHBondContact OE1-CG 3.48Å
48S94.4Very high96.8Very high125 Ų12551.3 Ų51.387%0.87428%0.278SS*.THydrogen-bonded Turntrans-67.1-19.5-175.360.70000114.5
49W94.6Very high96.6Very high148 Ų14852.3 Ų52.356%0.56129%0.289SS*.THydrogen-bonded Turntrans-88.6-9.2177.154.2-101.1000113.4E47 F97 H127 T128E47-W49 HydrophobicContact CB-CD2 4.06Å; E47-W49 VanDerWaalsContact CB-CE2 3.48Å; E47-W49 HydrophobicContact CB-CG 4.25Å; E47-W49 HydrophobicContact CB-CZ2 3.85Å; E47-W49 VanDerWaalsContact CB-NE1 3.32Å; E47-W49 HydrophobicContact CG-CZ2 3.87Å; E47-W49 PolarHBondContact O-N 3.32Å; W49-F97 HydrophobicContact CE3-CE2 4.02Å; W49-F97 AromaticContact CE3-CZ 3.89Å; W49-F97 HydrophobicContact CE3-CZ 3.89Å; W49-F97 AromaticContact CZ3-CE2 3.73Å; W49-F97 HydrophobicContact CZ3-CE2 3.73Å; W49-F97 AromaticContact CZ3-CZ 3.76Å; W49-F97 HydrophobicContact CZ3-CZ 3.76Å; W49-H127 AromaticContact CH2-CE1 3.98Å; W49-H127 AromaticContact CZ3-CE1 3.97Å; W49-T128 HydrophobicContact CH2-CG2 3.61Å; W49-T128 HydrophobicContact CZ2-CG2 3.94Å; W49-T128 HydrophobicContact CZ3-CG2 4.43Å
50D97.1Very high96.5Very high23 Ų2352.3 Ų52.312%0.12330%0.295CS..  trans-81.5160.5-169.6-159.56.6000112.9A46 E47 V52 H127 T128A46-D50 HydrophobicContact CB-CB 4.48Å; E47-D50 HydrophobicContact CB-CB 4.4Å; E47-D50 WeakPolarHBondContact O-CB 3.38Å; E47-D50 PolarHBondContact O-N 2.88Å; E47-D50 VanDerWaalsContact O-N 3.08Å; D50-V52 HydrophobicContact CB-CG1 4.22Å; D50-V52 WeakPolarHBondContact OD2-CG1 3.46Å; D50-H127 IonicContact OD1-CE1 3.35Å; D50-H127 IonicContact OD1-CG 3.8Å; D50-H127 IonicContact OD1-ND1 3.74Å; D50-H127 PolarHBondContact OD1-ND1 2.83Å; D50-H127 WeakPolarHBondContact OD2-CB 3.18Å; D50-H127 IonicContact OD2-CE1 3.35Å; D50-H127 IonicContact OD2-CG 2.81Å; D50-H127 IonicContact OD2-ND1 3.41Å; D50-H127 PolarHBondContact OD2-ND1 2.65Å; D50-T128 VanDerWaalsContact OD2-CB 3.32Å; D50-T128 WeakPolarHBondContact OD2-CB 3.45Å; D50-T128 VanDerWaalsContact OD2-CG2 3.31Å; D50-T128 WeakPolarHBondContact OD2-CG2 3.33Å; D50-T128 PolarHBondContact OD2-N 2.97Å; D50-T128 VanDerWaalsContact OD2-N 3.08Å; D50-T128 PolarHBondContact OD2-OG1 3.41Å
51N97.5Very high96.5Very high61 Ų6156.6 Ų56.633%0.32633%0.325SS..  trans-118.983.3175.1-166.635.4000110.7L55 P94 I96N51-L55 WeakPolarHBondContact ND2-CD2 3.32Å; N51-P94 WeakPolarHBondContact O-CB 3.42Å; N51-I96 PolarHBondContact ND2-O 3.47Å
52V98.4Very high96.6Very high35 Ų3557.2 Ų57.221%0.21233%0.328CS..  trans-104.8164.1-176.7-58.70000112.7L43 A46 D50 S125 P126 H127L43-V52 HydrophobicContact CB-CG2 4.06Å; L43-V52 HydrophobicContact CD2-CB 3.96Å; L43-V52 HydrophobicContact CD2-CG2 3.9Å; L43-V52 HydrophobicContact CG-CG2 4.38Å; A46-V52 HydrophobicContact CB-CB 4.4Å; A46-V52 HydrophobicContact CB-CG1 3.79Å; A46-V52 HydrophobicContact CB-CG2 3.73Å; D50-V52 HydrophobicContact CB-CG1 4.22Å; D50-V52 WeakPolarHBondContact OD2-CG1 3.46Å; V52-S125 CarbonylContact C-O 3.58Å; V52-S125 VanDerWaalsContact CA-O 3.22Å; V52-S125 WeakPolarHBondContact CA-O 3.49Å; V52-S125 WeakPolarHBondContact CB-O 3.42Å; V52-P126 VanDerWaalsContact CG1-O 3.31Å; V52-P126 WeakPolarHBondContact CG1-O 3.13Å; V52-H127 HydrophobicContact CG1-CB 4.07Å
53G98.5Very high96.6Very high5 Ų558.8 Ų58.85%0.05234%0.336CS..EExtended strand (participates in β ladder)trans99.9-156.4177.800000113.4L43 L55 Y124 S125L43-G53 VanDerWaalsContact CD1-CA 3.48Å; G53-L55 PolarHBondContact O-N 2.93Å; G53-Y124 CarbonylContact O-C 3.47Å; G53-Y124 VanDerWaalsContact O-CA 3.28Å; G53-Y124 WeakPolarHBondContact O-CA 3.28Å; G53-Y124 WeakPolarHBondContact O-CD2 3.36Å; G53-S125 PolarHBondContact N-O 2.72Å; G53-S125 PolarHBondContact O-N 2.95Å
54L98.6Very high96.7Very high51 Ų5156.6 Ų56.627%0.26733%0.325SS..EExtended strand (participates in β ladder)trans-76.3110.9178.2-174.271.4000109.5L30 L34 V56 E57 L88L30-L54 HydrophobicContact CD2-CD2 4.35Å; L34-L54 HydrophobicContact CD1-CB 4.13Å; L34-L54 HydrophobicContact CD1-CD1 4.21Å; L34-L54 HydrophobicContact CD1-CD2 3.75Å; L34-L54 HydrophobicContact CD1-CG 4.26Å; L34-L54 HydrophobicContact CD2-CB 4.35Å; L34-L54 HydrophobicContact CD2-CD1 4.29Å; L54-V56 WeakPolarHBondContact CD1-O 3.31Å; L54-E57 HydrophobicContact CD2-CB 3.54Å; L54-E57 HydrophobicContact CD2-CG 3.6Å; L54-E57 HydrophobicContact CG-CB 4.2Å; L54-L88 HydrophobicContact CD1-CD1 4.27Å
55L98.6Very high96.9Very high31 Ų3156.5 Ų56.516%0.16232%0.319CS..EExtended strand (participates in β ladder)trans-94.3-33-176.1-58.3-175.4000112.8N51 G53 P94 P95 I96 I123N51-L55 WeakPolarHBondContact ND2-CD2 3.32Å; G53-L55 PolarHBondContact O-N 2.93Å; L55-P94 HydrophobicContact CD1-CB 3.76Å; L55-P95 HydrophobicContact CD1-CG 4.47Å; L55-I96 HydrophobicContact CB-CD1 4.25Å; L55-I96 HydrophobicContact CD1-CB 4.41Å; L55-I123 HydrophobicContact CB-CG2 4.44Å; L55-I123 PolarHBondContact N-O 2.78Å
56V98.6Very high97Very high7 Ų755.6 Ų55.64%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-131.3119.6173.6-178.40000108L54 I96 V113 A116 L117 G122 I123L54-V56 WeakPolarHBondContact CD1-O 3.31Å; V56-I96 HydrophobicContact CG2-CD1 3.86Å; V56-V113 HydrophobicContact CG2-CB 4.44Å; V56-V113 HydrophobicContact CG2-CG1 4.03Å; V56-V113 HydrophobicContact CG2-CG2 4.04Å; V56-A116 HydrophobicContact CG1-CB 4.15Å; V56-L117 HydrophobicContact CG1-CD2 3.61Å; V56-L117 HydrophobicContact CG1-CG 3.85Å; V56-G122 VanDerWaalsContact O-CA 3.3Å; V56-G122 WeakPolarHBondContact O-CA 3.2Å; V56-I123 HydrophobicContact CB-CB 3.93Å; V56-I123 HydrophobicContact CB-CD1 4.25Å; V56-I123 HydrophobicContact CB-CG1 4.05Å; V56-I123 HydrophobicContact CG2-CB 4.09Å; V56-I123 HydrophobicContact CG2-CD1 3.86Å; V56-I123 HydrophobicContact CG2-CG1 4.18Å; V56-I123 PolarHBondContact N-O 2.95Å; V56-I123 PolarHBondContact O-N 2.77Å
57E98.1Very high97.1Very high124 Ų12454.5 Ų54.558%0.57931%0.307SS*.  trans-107.6118.6-178.2-175.3166.1-154.600110.8L30 L54L30-E57 HydrophobicContact CD2-CG 4.42Å; L54-E57 HydrophobicContact CD2-CB 3.54Å; L54-E57 HydrophobicContact CD2-CG 3.6Å; L54-E57 HydrophobicContact CG-CB 4.2Å
58P97.1Very high97.3Very high5 Ų551.1 Ų51.13%0.03229%0.291CS..PPolyproline II helixtrans-67.6151.2169.3-19.634.5000111.1R120 V121 G122P58-R120 HydrophobicContact CB-CB 4.43Å; P58-V121 VanDerWaalsContact CG-C 3.47Å; P58-G122 VanDerWaalsContact CG-N 3.3Å
59S94.9Very high97.5Very high77 Ų7745.2 Ų45.254%0.53825%0.25SC..PPolyproline II helixtrans-61.8133.4-179.2-48.20000112.3R120S59-R120 PolarHBondContact O-NH2 3.1Å
60P94Very high97.7Very high111 Ų11138.1 Ų38.172%0.72122%0.223SC*.SBendtrans-70.9155.2179.729.6-35.6000112.4
61P95.1Very high97.8Very high114 Ų11437 Ų3774%0.7422%0.217SC*.SBendcis-70.9146.4-6.331.1-34.9000111.7
62H97.5Very high97.8Very high15 Ų1536 Ų367%0.06921%0.212CC..  trans-131.5127.5177.8-163.961.7000111.1L30 D87 R120L30-H62 HydrophobicContact CB-CB 4.11Å; L30-H62 HydrophobicContact CD2-CB 4.21Å; L30-H62 PolarHBondContact N-O 2.84Å; H62-D87 PolarHBondContact NE2-O 3.02Å; H62-R120 PolarHBondContact CE1-O 3.04Å; H62-R120 PolarHBondContact NE2-O 3.38Å
63T97.5Very high97.8Very high60 Ų6034.6 Ų34.637%0.36820%0.203SC..EExtended strand (participates in β ladder)trans-114.8134.3-177.6-62.90000109F27 M28F27-T63 HydrophobicContact CB-CG2 3.48Å; F27-T63 VanDerWaalsContact CB-CG2 3.48Å; F27-T63 HydrophobicContact CD2-CG2 3.4Å; F27-T63 HydrophobicContact CE2-CG2 4.32Å; F27-T63 HydrophobicContact CG-CG2 3.62Å; M28-T63 WeakPolarHBondContact O-CA 3.02Å
64V98.4Very high97.8Very high0 Ų037 Ų370%022%0.217CC..EExtended strand (participates in β ladder)trans-108.4115.5179.4-177.30000108.9F27 M28 L30 L33 D87 L88 I362F27-V64 WeakPolarHBondContact CA-O 3.46Å; M28-V64 PolarHBondContact N-O 3.1Å; M28-V64 PolarHBondContact O-N 3.2Å; L30-V64 HydrophobicContact CB-CG2 4.43Å; L30-V64 HydrophobicContact CD1-CG2 4.03Å; L33-V64 HydrophobicContact CD2-CB 3.77Å; L33-V64 HydrophobicContact CD2-CG1 3.54Å; L33-V64 HydrophobicContact CD2-CG2 3.95Å; V64-D87 HydrophobicContact CB-CB 4.25Å; V64-D87 HydrophobicContact CG1-CB 4.08Å; V64-D87 HydrophobicContact CG2-CB 4.3Å; V64-L88 HydrophobicContact CG1-CB 3.96Å; V64-L88 HydrophobicContact CG2-CB 4.06Å; V64-I362 HydrophobicContact CG1-CD1 4.37Å; V64-I362 WeakPolarHBondContact O-CG2 3.24Å
65N97.8Very high97.8Very high67 Ų6737.4 Ų37.436%0.35822%0.217SC..SBendtrans-101.2-36.4168.7-47.6-90.9000110F27 D87 I362 N363F27-N65 WeakPolarHBondContact CB-OD1 3.37Å; N65-D87 WeakPolarHBondContact CA-OD2 3.4Å; N65-D87 WeakPolarHBondContact CB-OD2 3.39Å; N65-D87 PolarHBondContact N-OD2 2.88Å; N65-D87 PolarHBondContact ND2-OD2 3.44Å; N65-D87 VanDerWaalsContact ND2-OD2 3.14Å; N65-I362 WeakPolarHBondContact O-CB 3.41Å; N65-N363 WeakPolarHBondContact O-CB 3.45Å; N65-N363 PolarHBondContact O-N 3.12Å
66T98.6Very high97.8Very high15 Ų1541.7 Ų41.79%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-120.8118.8-179.5-54.60000111.3K85 D87 L88 N363 I365T66-K85 VanDerWaalsContact CB-O 3.23Å; T66-K85 WeakPolarHBondContact CB-O 3.44Å; T66-K85 PolarHBondContact OG1-O 3.36Å; T66-D87 PolarHBondContact N-OD2 2.69Å; T66-D87 PolarHBondContact O-N 3.5Å; T66-L88 PolarHBondContact O-N 3.49Å; T66-N363 CarbonylContact C-O 3.54Å; T66-N363 WeakPolarHBondContact CA-O 3.41Å; T66-I365 HydrophobicContact CG2-CD1 3.69Å; T66-I365 HydrophobicContact CG2-CG1 4.16Å
67L98.8Very high97.8Very high0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-96.8119.1165.5175.860.8000109.1L69 L88 L90 L354 I362 N363 I364 I365L67-L69 HydrophobicContact CD1-CD2 4.33Å; L67-L69 HydrophobicContact CD2-CD2 4Å; L67-L69 HydrophobicContact CG-CD2 3.79Å; L67-L88 WeakPolarHBondContact CA-O 3.25Å; L67-L88 HydrophobicContact CD1-CB 4.09Å; L67-L88 HydrophobicContact CD1-CD2 3.89Å; L67-L88 HydrophobicContact CD1-CG 3.84Å; L67-L90 HydrophobicContact CD1-CB 3.92Å; L67-L354 HydrophobicContact CD2-CD1 4.23Å; L67-I362 HydrophobicContact CB-CD1 3.65Å; L67-I362 HydrophobicContact CD2-CD1 4.19Å; L67-N363 PolarHBondContact N-O 3.41Å; L67-I364 HydrophobicContact CB-CG1 4.41Å; L67-I364 HydrophobicContact CD2-CG2 4.4Å; L67-I364 HydrophobicContact CG-CG2 4.41Å; L67-I364 CarbonylContact O-C 3.54Å; L67-I364 VanDerWaalsContact O-CA 3.3Å; L67-I364 WeakPolarHBondContact O-CA 3.45Å; L67-I365 PolarHBondContact O-N 2.93Å
68F98.9Very high97.8Very high0 Ų035.4 Ų35.40%021%0.207CC..EExtended strand (participates in β ladder)trans-103.6124.6179.1-177.1-96.3000110.3V77 E80 K84 A86 L88 I89 L90 I365F68-V77 HydrophobicContact CE1-CG1 3.77Å; F68-V77 HydrophobicContact CZ-CG1 4.32Å; F68-E80 HydrophobicContact CE2-CG 4.32Å; F68-E80 HydrophobicContact CZ-CB 4.41Å; F68-E80 HydrophobicContact CZ-CG 4.13Å; F68-K84 HydrophobicContact CD2-CD 4.28Å; F68-K84 HydrophobicContact CE2-CD 3.75Å; F68-A86 HydrophobicContact CB-CB 3.6Å; F68-A86 HydrophobicContact CG-CB 4.35Å; F68-L88 PolarHBondContact N-O 3.21Å; F68-I89 HydrophobicContact CB-CG1 4.25Å; F68-I89 HydrophobicContact CD1-CG1 4.19Å; F68-I89 HydrophobicContact CD1-CG2 4.32Å; F68-I89 CarbonylContact O-C 3.56Å; F68-I89 WeakPolarHBondContact O-CA 3.46Å; F68-L90 PolarHBondContact O-N 2.85Å; F68-I365 CarbonylContact C-O 3.58Å; F68-I365 WeakPolarHBondContact CA-O 3.28Å; F68-I365 HydrophobicContact CD2-CB 4.14Å; F68-I365 HydrophobicContact CD2-CG2 4.21Å; F68-I365 HydrophobicContact CE2-CG2 4.34Å
69L98.9Very high97.9Very high0 Ų040 Ų400%023%0.227CC..EExtended strand (participates in β ladder)trans-101.9136-176.9-50.6-172.6000110.7L67 L90 R351 I364 I365 L366 S367L67-L69 HydrophobicContact CD1-CD2 4.33Å; L67-L69 HydrophobicContact CD2-CD2 4Å; L67-L69 HydrophobicContact CG-CD2 3.79Å; L69-L90 WeakPolarHBondContact CA-O 3.27Å; L69-L90 HydrophobicContact CD2-CB 3.68Å; L69-L90 HydrophobicContact CD2-CD1 4.11Å; L69-L90 HydrophobicContact CD2-CD2 4.21Å; L69-L90 HydrophobicContact CD2-CG 4.2Å; L69-R351 HydrophobicContact CD1-CB 3.9Å; L69-I364 HydrophobicContact CD1-CG2 3.69Å; L69-I364 HydrophobicContact CD2-CG2 4.06Å; L69-I364 HydrophobicContact CG-CG2 3.7Å; L69-I365 PolarHBondContact N-O 3.01Å; L69-L366 HydrophobicContact CB-CD1 3.98Å; L69-S367 WeakPolarHBondContact O-CB 3.42Å; L69-S367 PolarHBondContact O-N 3.26Å
70T98.8Very high98.1Very high0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-147.6155170.5-169.90000110.5D72 L73 V77 I89 L90 S91 Y92 D370T70-D72 PolarHBondContact OG1-O 3.09Å; T70-L73 HydrophobicContact CG2-CB 3.97Å; T70-L73 HydrophobicContact CG2-CD1 4.23Å; T70-V77 HydrophobicContact CG2-CG1 4Å; T70-V77 WeakPolarHBondContact OG1-CG1 3.46Å; T70-I89 HydrophobicContact CG2-CG2 4.3Å; T70-L90 PolarHBondContact N-O 2.91Å; T70-S91 CarbonylContact O-C 3.52Å; T70-S91 WeakPolarHBondContact O-CA 3.48Å; T70-Y92 PolarHBondContact O-N 3.36Å; T70-D370 WeakPolarHBondContact OG1-CB 3.32Å; T70-D370 PolarHBondContact OG1-OD2 3.08Å
71N98.6Very high98.3Very high0 Ų031.6 Ų31.60%017%0.17CC..SBendtrans-77-54.4170.5-159.573.7000108.7Y92 H93 E343 R344 L347 D370N71-Y92 PolarHBondContact O-N 3.33Å; N71-H93 PolarHBondContact ND2-CE1 3.22Å; N71-H93 VanDerWaalsContact ND2-CE1 3.32Å; N71-H93 PolarHBondContact O-N 2.8Å; N71-E343 PolarHBondContact ND2-OE2 2.95Å; N71-E343 WeakPolarHBondContact OD1-CB 3.01Å; N71-R344 HydrophobicContact CB-CB 4.27Å; N71-R344 HydrophobicContact CB-CG 4.35Å; N71-L347 HydrophobicContact CB-CD1 3.89Å; N71-D370 WeakPolarHBondContact CA-OD2 3.48Å; N71-D370 WeakPolarHBondContact CB-OD2 3.41Å; N71-D370 PolarHBondContact N-OD2 2.72Å
72D98.3Very high98.5Very high39 Ų3928.3 Ų28.321%0.20915%0.146CC..SBendtrans-119.2120.8-178.6-67.4-72.1000109.6T70 T74 H93 S340 R344T70-D72 PolarHBondContact OG1-O 3.09Å; D72-T74 PolarHBondContact O-N 2.84Å; D72-H93 IonicContact OD1-CE1 2.79Å; D72-H93 IonicContact OD1-CG 3.79Å; D72-H93 IonicContact OD1-ND1 3.37Å; D72-H93 PolarHBondContact OD1-ND1 3.17Å; D72-H93 IonicContact OD2-ND1 3.58Å; D72-S340 PolarHBondContact OD2-OG 3.19Å; D72-R344 IonicContact OD2-NH2 3.54Å
73L98.5Very high98.6Very high6 Ų634.9 Ų34.93%0.03118%0.177CC..  trans-86.788.4175.6-175.659.8000110.1T70 V77 M78 I89 S91 P95 L112 I123T70-L73 HydrophobicContact CG2-CB 3.97Å; T70-L73 HydrophobicContact CG2-CD1 4.23Å; L73-V77 HydrophobicContact CD1-CB 4.37Å; L73-V77 HydrophobicContact CD1-CG1 3.89Å; L73-M78 HydrophobicContact CD1-CB 4.13Å; L73-M78 HydrophobicContact CD1-CE 4.34Å; L73-M78 HydrophobicContact CD2-CE 3.88Å; L73-M78 HydrophobicContact CG-CE 4.39Å; L73-I89 HydrophobicContact CD1-CD1 4.21Å; L73-I89 HydrophobicContact CD1-CG2 4.04Å; L73-I89 HydrophobicContact CD2-CG2 4.03Å; L73-S91 WeakPolarHBondContact CB-OG 3.48Å; L73-S91 PolarHBondContact N-OG 3.34Å; L73-P95 HydrophobicContact CD2-CG 4.16Å; L73-L112 HydrophobicContact CG-CD1 4.3Å; L73-L112 HydrophobicContact CG-CD2 4.31Å; L73-L112 WeakPolarHBondContact O-CD1 3.4Å; L73-I123 HydrophobicContact CD2-CD1 3.83Å; L73-I123 HydrophobicContact CD2-CG1 4.34Å; L73-I123 HydrophobicContact CD2-CG2 4.34Å
74T98.4Very high98.6Very high56 Ų5634.4 Ų34.434%0.34417%0.17SC..  trans-84.3172.3170.169.70000111.3D72 E76 V77 M78D72-T74 PolarHBondContact O-N 2.84Å; T74-E76 VanDerWaalsContact C-N 3.34Å; T74-E76 PolarHBondContact O-N 2.98Å; T74-V77 PolarHBondContact O-N 3.28Å; T74-V77 WeakPolarHBondContact OG1-CG2 3.47Å; T74-V77 PolarHBondContact OG1-N 3.49Å; T74-M78 PolarHBondContact O-N 2.88Å
75E98.4Very high98.6Very high59 Ų5942.2 Ų42.228%0.27620%0.204SC..Hα-helixtrans-62.3-40.9176.7-59.5-168.6108.900111.6V77 M78 E79 W108 R111 L112E75-V77 VanDerWaalsContact C-N 3.34Å; E75-V77 PolarHBondContact O-N 2.99Å; E75-M78 WeakPolarHBondContact O-CB 3.49Å; E75-M78 PolarHBondContact O-N 2.96Å; E75-E79 WeakPolarHBondContact O-CG 3.48Å; E75-E79 PolarHBondContact O-N 2.94Å; E75-W108 HydrophobicContact CG-CB 4.14Å; E75-R111 IonicContact OE1-CZ 3.37Å; E75-R111 IonicContact OE1-NE 2.67Å; E75-R111 PolarHBondContact OE1-NE 3.05Å; E75-R111 IonicContact OE1-NH2 3.2Å; E75-R111 PolarHBondContact OE1-NH2 3.17Å; E75-R111 IonicContact OE2-CZ 3.82Å; E75-R111 IonicContact OE2-NE 3.81Å; E75-R111 IonicContact OE2-NH2 2.91Å; E75-R111 PolarHBondContact OE2-NH2 3.26Å; E75-L112 HydrophobicContact CG-CD2 4.31Å
76E98.5Very high98.6Very high120 Ų12039.3 Ų39.356%0.56119%0.189SC*.Hα-helixtrans-63.4-39.7175.8-59.9-179.317600112T74 E79 E80 T369T74-E76 VanDerWaalsContact C-N 3.34Å; T74-E76 PolarHBondContact O-N 2.98Å; E76-E79 PolarHBondContact O-N 3.4Å; E76-E80 PolarHBondContact O-N 2.87Å; E76-T369 HydrophobicContact CB-CG2 3.83Å
77V98.8Very high98.6Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-69.5-35.4176.8173.10000111.5F68 T70 L73 T74 E75 E80 G81 T369 D370F68-V77 HydrophobicContact CE1-CG1 3.77Å; F68-V77 HydrophobicContact CZ-CG1 4.32Å; T70-V77 HydrophobicContact CG2-CG1 4Å; T70-V77 WeakPolarHBondContact OG1-CG1 3.46Å; L73-V77 HydrophobicContact CD1-CB 4.37Å; L73-V77 HydrophobicContact CD1-CG1 3.89Å; T74-V77 PolarHBondContact O-N 3.28Å; T74-V77 WeakPolarHBondContact OG1-CG2 3.47Å; T74-V77 PolarHBondContact OG1-N 3.49Å; E75-V77 VanDerWaalsContact C-N 3.34Å; E75-V77 PolarHBondContact O-N 2.99Å; V77-E80 PolarHBondContact O-N 2.86Å; V77-G81 PolarHBondContact O-N 2.83Å; V77-T369 HydrophobicContact CG2-CG2 4.38Å; V77-D370 HydrophobicContact CG2-CB 3.99Å
78M98.8Very high98.6Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-62.2-47.5172.4175.66180.100110.8L73 T74 E75 E80 G81 L82 I89 L112 Q115 A116 I123L73-M78 HydrophobicContact CD1-CB 4.13Å; L73-M78 HydrophobicContact CD1-CE 4.34Å; L73-M78 HydrophobicContact CD2-CE 3.88Å; L73-M78 HydrophobicContact CG-CE 4.39Å; T74-M78 PolarHBondContact O-N 2.88Å; E75-M78 WeakPolarHBondContact O-CB 3.49Å; E75-M78 PolarHBondContact O-N 2.96Å; M78-E80 VanDerWaalsContact C-N 3.31Å; M78-E80 PolarHBondContact O-N 3.37Å; M78-G81 PolarHBondContact O-N 3Å; M78-G81 VanDerWaalsContact O-N 3.13Å; M78-L82 HydrophobicContact CG-CD1 4.3Å; M78-L82 HydrophobicContact CG-CG 4.47Å; M78-L82 WeakPolarHBondContact O-CG 3.39Å; M78-L82 PolarHBondContact O-N 3.38Å; M78-L82 HydrophobicContact SD-CD1 4.43Å; M78-L82 HydrophobicContact SD-CD2 4.39Å; M78-L82 HydrophobicContact SD-CG 4.15Å; M78-I89 HydrophobicContact CE-CD1 3.91Å; M78-I89 HydrophobicContact SD-CD1 3.62Å; M78-L112 HydrophobicContact CB-CD2 3.61Å; M78-L112 HydrophobicContact CE-CB 4.31Å; M78-L112 HydrophobicContact CE-CD2 4.16Å; M78-L112 WeakPolarHBondContact CE-O 3.19Å; M78-L112 HydrophobicContact CG-CD2 4.11Å; M78-Q115 HydrophobicContact CG-CB 4.2Å; M78-Q115 VanDerWaalsContact CG-OE1 3.27Å; M78-A116 HydrophobicContact CE-CB 4.07Å; M78-I123 HydrophobicContact CE-CD1 4.09Å
79E98.8Very high98.6Very high100 Ų10040.3 Ų40.347%0.46719%0.193SC..Hα-helixtrans-57.1-44.3175.7-72.2176.8-170.300111.8E75 E76 L82 Q83E75-E79 WeakPolarHBondContact O-CG 3.48Å; E75-E79 PolarHBondContact O-N 2.94Å; E76-E79 PolarHBondContact O-N 3.4Å; E79-L82 PolarHBondContact O-N 2.85Å; E79-Q83 VanDerWaalsContact O-CG 3.24Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 3.06Å
80E98.9Very high98.6Very high13 Ų1340.3 Ų40.36%0.06119%0.193CC..Hα-helixtrans-58.4-47.8173.6-175.2-168.917300111.7F68 E76 V77 M78 L82 Q83 K84 S367 E368 T369F68-E80 HydrophobicContact CE2-CG 4.32Å; F68-E80 HydrophobicContact CZ-CB 4.41Å; F68-E80 HydrophobicContact CZ-CG 4.13Å; E76-E80 PolarHBondContact O-N 2.87Å; V77-E80 PolarHBondContact O-N 2.86Å; M78-E80 VanDerWaalsContact C-N 3.31Å; M78-E80 PolarHBondContact O-N 3.37Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.86Å; E80-Q83 PolarHBondContact O-N 3.12Å; E80-K84 HydrophobicContact CG-CD 3.98Å; E80-K84 WeakPolarHBondContact O-CB 3.36Å; E80-K84 WeakPolarHBondContact O-CG 3.37Å; E80-K84 PolarHBondContact O-N 3.39Å; E80-K84 WeakPolarHBondContact OE1-CE 3.25Å; E80-K84 IonicContact OE1-NZ 3.62Å; E80-K84 PolarHBondContact OE1-NZ 2.92Å; E80-S367 PolarHBondContact OE2-OG 2.88Å; E80-S367 VanDerWaalsContact OE2-OG 3.09Å; E80-E368 PolarHBondContact OE1-N 3.23Å; E80-E368 PolarHBondContact OE2-N 3.44Å; E80-T369 WeakPolarHBondContact OE2-CB 3.49Å; E80-T369 PolarHBondContact OE2-N 2.66Å; E80-T369 PolarHBondContact OE2-OG1 3.49Å
81G98.8Very high98.6Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-59.3-42.2178.700000112.6V77 M78 K84 K85 A86V77-G81 PolarHBondContact O-N 2.83Å; M78-G81 PolarHBondContact O-N 3Å; M78-G81 VanDerWaalsContact O-N 3.13Å; G81-K84 CarbonylContact O-C 3.5Å; G81-K84 PolarHBondContact O-N 2.83Å; G81-K85 PolarHBondContact O-N 3.11Å; G81-K85 VanDerWaalsContact O-N 3.16Å; G81-A86 VanDerWaalsContact O-CB 3.3Å; G81-A86 WeakPolarHBondContact O-CB 3.38Å; G81-A86 PolarHBondContact O-N 3.48Å
82L98.7Very high98.6Very high45 Ų4540.3 Ų40.324%0.23619%0.193CC..Hα-helixtrans-65.1-44.4175.4-66179.7000111.8M78 E79 E80 K84 K85 N119 V121M78-L82 HydrophobicContact CG-CD1 4.3Å; M78-L82 HydrophobicContact CG-CG 4.47Å; M78-L82 WeakPolarHBondContact O-CG 3.39Å; M78-L82 PolarHBondContact O-N 3.38Å; M78-L82 HydrophobicContact SD-CD1 4.43Å; M78-L82 HydrophobicContact SD-CD2 4.39Å; M78-L82 HydrophobicContact SD-CG 4.15Å; E79-L82 PolarHBondContact O-N 2.85Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.86Å; L82-K84 VanDerWaalsContact C-N 3.26Å; L82-K84 PolarHBondContact O-N 2.78Å; L82-K85 PolarHBondContact O-N 3.44Å; L82-N119 HydrophobicContact CD2-CB 3.53Å; L82-V121 HydrophobicContact CD2-CG2 3.73Å
83Q98.6Very high98.7Very high152 Ų15239.7 Ų39.771%0.7119%0.189SC*.Hα-helixtrans-60.5-37.5175.4-71.6170.918.600111.9E79 E80 K85E79-Q83 VanDerWaalsContact O-CG 3.24Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 3.06Å; E80-Q83 PolarHBondContact O-N 3.12Å; Q83-K85 PolarHBondContact O-N 3.31Å
84K98.4Very high98.6Very high50 Ų5039.8 Ų39.822%0.21719%0.191CC..THydrogen-bonded Turntrans-80.87.3175.7-73.4177.1165.51790113.8F68 E80 G81 L82 A86 I365 E368F68-K84 HydrophobicContact CD2-CD 4.28Å; F68-K84 HydrophobicContact CE2-CD 3.75Å; E80-K84 HydrophobicContact CG-CD 3.98Å; E80-K84 WeakPolarHBondContact O-CB 3.36Å; E80-K84 WeakPolarHBondContact O-CG 3.37Å; E80-K84 PolarHBondContact O-N 3.39Å; E80-K84 WeakPolarHBondContact OE1-CE 3.25Å; E80-K84 IonicContact OE1-NZ 3.62Å; E80-K84 PolarHBondContact OE1-NZ 2.92Å; G81-K84 CarbonylContact O-C 3.5Å; G81-K84 PolarHBondContact O-N 2.83Å; L82-K84 VanDerWaalsContact C-N 3.26Å; L82-K84 PolarHBondContact O-N 2.78Å; K84-A86 PolarHBondContact O-N 3.11Å; K84-I365 HydrophobicContact CB-CD1 4Å; K84-I365 HydrophobicContact CD-CD1 4.46Å; K84-I365 HydrophobicContact CD-CG2 3.8Å; K84-I365 HydrophobicContact CG-CD1 4.5Å; K84-E368 VanDerWaalsContact NZ-CD 3.34Å; K84-E368 IonicContact NZ-OE1 3.56Å; K84-E368 PolarHBondContact NZ-OE1 3.45Å
85K98.3Very high98.6Very high165 Ų16537.6 Ų37.672%0.71718%0.177SC*.THydrogen-bonded Turntrans56.745.9176.8-53.2-179.3-179.3-1800112.6T66 G81 L82 Q83T66-K85 VanDerWaalsContact CB-O 3.23Å; T66-K85 WeakPolarHBondContact CB-O 3.44Å; T66-K85 PolarHBondContact OG1-O 3.36Å; G81-K85 PolarHBondContact O-N 3.11Å; G81-K85 VanDerWaalsContact O-N 3.16Å; L82-K85 PolarHBondContact O-N 3.44Å; Q83-K85 PolarHBondContact O-N 3.31Å
86A98.6Very high98.5Very high5 Ų536 Ų364%0.04117%0.17CC..  trans-61.6133.1171.900000110.6F68 G81 K84 I89 V121F68-A86 HydrophobicContact CB-CB 3.6Å; F68-A86 HydrophobicContact CG-CB 4.35Å; G81-A86 VanDerWaalsContact O-CB 3.3Å; G81-A86 WeakPolarHBondContact O-CB 3.38Å; G81-A86 PolarHBondContact O-N 3.48Å; K84-A86 PolarHBondContact O-N 3.11Å; A86-I89 HydrophobicContact CB-CG1 4.02Å; A86-V121 HydrophobicContact CB-CG1 4.3Å; A86-V121 WeakPolarHBondContact O-CG2 3.18Å
87D98.7Very high98.3Very high36 Ų3634.5 Ų34.519%0.19316%0.162CC..SBendtrans-99.4-26.1169.8-59.7-62000111H62 V64 N65 T66 G122H62-D87 PolarHBondContact NE2-O 3.02Å; V64-D87 HydrophobicContact CB-CB 4.25Å; V64-D87 HydrophobicContact CG1-CB 4.08Å; V64-D87 HydrophobicContact CG2-CB 4.3Å; N65-D87 WeakPolarHBondContact CA-OD2 3.4Å; N65-D87 WeakPolarHBondContact CB-OD2 3.39Å; N65-D87 PolarHBondContact N-OD2 2.88Å; N65-D87 PolarHBondContact ND2-OD2 3.44Å; N65-D87 VanDerWaalsContact ND2-OD2 3.14Å; T66-D87 PolarHBondContact N-OD2 2.69Å; T66-D87 PolarHBondContact O-N 3.5Å; D87-G122 PolarHBondContact O-N 2.91Å
88L98.9Very high98.1Very high0 Ų044 Ų440%020%0.198CC..EExtended strand (participates in β ladder)trans-139.7131172.418063.2000108.8L30 L33 L37 L54 V64 T66 L67 F68L30-L88 HydrophobicContact CD1-CD1 4.2Å; L30-L88 HydrophobicContact CD1-CD2 4.13Å; L33-L88 HydrophobicContact CD2-CD2 3.64Å; L33-L88 HydrophobicContact CG-CD2 4.34Å; L37-L88 HydrophobicContact CD1-CD2 4.4Å; L54-L88 HydrophobicContact CD1-CD1 4.27Å; V64-L88 HydrophobicContact CG1-CB 3.96Å; V64-L88 HydrophobicContact CG2-CB 4.06Å; T66-L88 PolarHBondContact O-N 3.49Å; L67-L88 WeakPolarHBondContact CA-O 3.25Å; L67-L88 HydrophobicContact CD1-CB 4.09Å; L67-L88 HydrophobicContact CD1-CD2 3.89Å; L67-L88 HydrophobicContact CD1-CG 3.84Å; F68-L88 PolarHBondContact N-O 3.21Å
89I98.9Very high97.9Very high0 Ų050.1 Ų50.10%024%0.238CC..EExtended strand (participates in β ladder)trans-100.8123.7169.7-65169.4000108.3F68 T70 L73 M78 A86 V121 G122 I123 Y124F68-I89 HydrophobicContact CB-CG1 4.25Å; F68-I89 HydrophobicContact CD1-CG1 4.19Å; F68-I89 HydrophobicContact CD1-CG2 4.32Å; F68-I89 CarbonylContact O-C 3.56Å; F68-I89 WeakPolarHBondContact O-CA 3.46Å; T70-I89 HydrophobicContact CG2-CG2 4.3Å; L73-I89 HydrophobicContact CD1-CD1 4.21Å; L73-I89 HydrophobicContact CD1-CG2 4.04Å; L73-I89 HydrophobicContact CD2-CG2 4.03Å; M78-I89 HydrophobicContact CE-CD1 3.91Å; M78-I89 HydrophobicContact SD-CD1 3.62Å; A86-I89 HydrophobicContact CB-CG1 4.02Å; I89-V121 HydrophobicContact CD1-CG1 3.85Å; I89-V121 HydrophobicContact CG1-CG1 3.78Å; I89-G122 PolarHBondContact N-O 3.03Å; I89-I123 CarbonylContact O-C 3.54Å; I89-I123 WeakPolarHBondContact O-CA 3.45Å; I89-Y124 PolarHBondContact O-N 3.37Å
90L98.9Very high97.7Very high0 Ų048 Ų480%023%0.228CC..EExtended strand (participates in β ladder)trans-95.2106.2164.1-176.1158.5000107.9L67 F68 L69 T70 Y124 P126 L350 L354L67-L90 HydrophobicContact CD1-CB 3.92Å; F68-L90 PolarHBondContact O-N 2.85Å; L69-L90 WeakPolarHBondContact CA-O 3.27Å; L69-L90 HydrophobicContact CD2-CB 3.68Å; L69-L90 HydrophobicContact CD2-CD1 4.11Å; L69-L90 HydrophobicContact CD2-CD2 4.21Å; L69-L90 HydrophobicContact CD2-CG 4.2Å; T70-L90 PolarHBondContact N-O 2.91Å; L90-Y124 CarbonylContact C-O 3.57Å; L90-Y124 VanDerWaalsContact CA-O 3.31Å; L90-Y124 WeakPolarHBondContact CA-O 3.39Å; L90-Y124 HydrophobicContact CB-CD1 4.46Å; L90-Y124 HydrophobicContact CD1-CD1 3.94Å; L90-Y124 HydrophobicContact CD1-CE1 4.06Å; L90-Y124 HydrophobicContact CG-CD1 3.91Å; L90-Y124 HydrophobicContact CG-CE1 4.39Å; L90-P126 HydrophobicContact CD1-CG 4.44Å; L90-P126 HydrophobicContact CD2-CG 3.97Å; L90-P126 HydrophobicContact CG-CG 4.29Å; L90-L350 HydrophobicContact CD2-CD2 4.34Å; L90-L354 HydrophobicContact CD1-CD1 4.38Å
91S98.8Very high97.7Very high0 Ų057.4 Ų57.40%027%0.269CS..EExtended strand (participates in β ladder)trans-97.2121172.5-1730000108.1T70 L73 H93 Y124 S125T70-S91 CarbonylContact O-C 3.52Å; T70-S91 WeakPolarHBondContact O-CA 3.48Å; L73-S91 WeakPolarHBondContact CB-OG 3.48Å; L73-S91 PolarHBondContact N-OG 3.34Å; S91-H93 VanDerWaalsContact C-N 3.34Å; S91-H93 WeakPolarHBondContact CB-O 3.32Å; S91-H93 PolarHBondContact O-N 3.31Å; S91-H93 PolarHBondContact OG-O 3.21Å; S91-Y124 PolarHBondContact N-O 2.94Å; S91-S125 VanDerWaalsContact O-CA 3.27Å; S91-S125 WeakPolarHBondContact O-CA 3.07Å; S91-S125 WeakPolarHBondContact O-CB 3.35Å; S91-S125 PolarHBondContact O-OG 3.22Å
92Y98.7Very high97.6Very high0 Ų066.7 Ų66.70%030%0.304CS..SBendtrans-58.6-49.2-179-164.1-91.7000110.6T70 N71 S125 H127 Y130 D131 V137 F346 L347T70-Y92 PolarHBondContact O-N 3.36Å; N71-Y92 PolarHBondContact O-N 3.33Å; Y92-S125 PolarHBondContact O-OG 2.83Å; Y92-H127 VanDerWaalsContact O-CA 3.22Å; Y92-H127 WeakPolarHBondContact O-CA 3.32Å; Y92-H127 VanDerWaalsContact O-CB 3.32Å; Y92-H127 WeakPolarHBondContact O-CB 3.49Å; Y92-H127 PolarHBondContact O-N 3.42Å; Y92-Y130 HydrophobicContact CE2-CD2 4.44Å; Y92-D131 PolarHBondContact OH-N 2.86Å; Y92-D131 PolarHBondContact OH-OD1 3.28Å; Y92-V137 WeakPolarHBondContact OH-CB 3.32Å; Y92-V137 WeakPolarHBondContact OH-CG1 3.32Å; Y92-F346 HydrophobicContact CE2-CD1 4.01Å; Y92-F346 HydrophobicContact CE2-CE1 4.11Å; Y92-L347 HydrophobicContact CD2-CD2 4.06Å
93H98.4Very high97.6Very high26 Ų2669 Ų6912%0.1232%0.315CS..SBendtrans-84.2135.8169.8-66152.3000111.3N71 D72 S91 P95 H127 H339 E343N71-H93 PolarHBondContact ND2-CE1 3.22Å; N71-H93 VanDerWaalsContact ND2-CE1 3.32Å; N71-H93 PolarHBondContact O-N 2.8Å; D72-H93 IonicContact OD1-CE1 2.79Å; D72-H93 IonicContact OD1-CG 3.79Å; D72-H93 IonicContact OD1-ND1 3.37Å; D72-H93 PolarHBondContact OD1-ND1 3.17Å; D72-H93 IonicContact OD2-ND1 3.58Å; S91-H93 VanDerWaalsContact C-N 3.34Å; S91-H93 WeakPolarHBondContact CB-O 3.32Å; S91-H93 PolarHBondContact O-N 3.31Å; S91-H93 PolarHBondContact OG-O 3.21Å; H93-P95 WeakPolarHBondContact O-CD 3.38Å; H93-H127 AromaticContact CD2-CD2 3.65Å; H93-H127 AromaticContact CD2-NE2 3.77Å; H93-H339 AromaticContact CE1-CD2 3.65Å; H93-H339 AromaticContact CE1-NE2 3.76Å; H93-H339 AromaticContact NE2-CD2 3.91Å; H93-H339 AromaticContact NE2-NE2 3.66Å; H93-E343 IonicContact CE1-OE2 2.87Å; H93-E343 PolarHBondContact CE1-OE2 2.89Å; H93-E343 IonicContact NE2-OE1 2.73Å; H93-E343 IonicContact NE2-OE2 3.89Å; H93-E343 PolarHBondContact NE2-OE2 3.41Å; H93-E343 VanDerWaalsContact NE2-OE2 3.09Å
94P98.3Very high97.5Very high9 Ų964.7 Ų64.76%0.05830%0.3CS..  trans-72.3115-179.227.3-33.4000110.5N51 L55 I96 F97 S125N51-P94 WeakPolarHBondContact O-CB 3.42Å; L55-P94 HydrophobicContact CD1-CB 3.76Å; P94-I96 PolarHBondContact O-N 3.01Å; P94-F97 HydrophobicContact CG-CB 4.32Å; P94-F97 HydrophobicContact CG-CD2 3.64Å; P94-F97 HydrophobicContact CG-CE2 4.45Å; P94-F97 HydrophobicContact CG-CG 4.42Å; P94-S125 VanDerWaalsContact CA-OG 3.28Å; P94-S125 WeakPolarHBondContact CA-OG 3.37Å; P94-S125 WeakPolarHBondContact CB-OG 3.41Å
95P97.1Very high97.5Very high9 Ų969 Ų696%0.05832%0.315CS..SBendtrans-61.6-37.8176.223.7-33.6000110.7L55 L73 H93 F97 K109 L112 I123L55-P95 HydrophobicContact CD1-CG 4.47Å; L73-P95 HydrophobicContact CD2-CG 4.16Å; H93-P95 WeakPolarHBondContact O-CD 3.38Å; P95-F97 PolarHBondContact O-N 3.05Å; P95-K109 VanDerWaalsContact O-CD 3.26Å; P95-K109 WeakPolarHBondContact O-CD 3.33Å; P95-K109 WeakPolarHBondContact O-CE 3.41Å; P95-K109 PolarHBondContact O-NZ 3.35Å; P95-K109 VanDerWaalsContact O-NZ 3.09Å; P95-L112 HydrophobicContact CB-CD1 4.16Å; P95-I123 HydrophobicContact CG-CG2 3.75Å
96I97.5Very high97.4Very high26 Ų2667.2 Ų67.213%0.13331%0.313CS..  trans-89.183.7168.8-47.5-178.5000108.7N51 L55 V56 P94 M100 V113N51-I96 PolarHBondContact ND2-O 3.47Å; L55-I96 HydrophobicContact CB-CD1 4.25Å; L55-I96 HydrophobicContact CD1-CB 4.41Å; V56-I96 HydrophobicContact CG2-CD1 3.86Å; P94-I96 PolarHBondContact O-N 3.01Å; I96-M100 HydrophobicContact CB-CE 4.41Å; I96-M100 HydrophobicContact CG1-CE 3.94Å; I96-M100 HydrophobicContact CG2-CE 4.29Å; I96-M100 HydrophobicContact CG2-CG 4.48Å; I96-V113 HydrophobicContact CD1-CG2 3.67Å; I96-V113 HydrophobicContact CG1-CG2 3.95Å
97F93.5Very high97.3Very high88 Ų8869.5 Ų69.539%0.38633%0.327SS..  trans-91.1-27.6176.7-172.8-118.7000113.4W49 P94 P95W49-F97 HydrophobicContact CE3-CE2 4.02Å; W49-F97 AromaticContact CE3-CZ 3.89Å; W49-F97 HydrophobicContact CE3-CZ 3.89Å; W49-F97 AromaticContact CZ3-CE2 3.73Å; W49-F97 HydrophobicContact CZ3-CE2 3.73Å; W49-F97 AromaticContact CZ3-CZ 3.76Å; W49-F97 HydrophobicContact CZ3-CZ 3.76Å; P94-F97 HydrophobicContact CG-CB 4.32Å; P94-F97 HydrophobicContact CG-CD2 3.64Å; P94-F97 HydrophobicContact CG-CE2 4.45Å; P94-F97 HydrophobicContact CG-CG 4.42Å; P95-F97 PolarHBondContact O-N 3.05Å
98R94.9Very high97.2Very high201 Ų20173.2 Ų73.276%0.75834%0.338SS*.SBendtrans-119.1145.8175.9-66.7-176.1-179.3176.51109.6M100R98-M100 PolarHBondContact O-N 2.81Å
99P94.9Very high97.2Very high128 Ų12876.3 Ų76.383%0.83135%0.351SS*.  trans-55.9127177.7-26.434.5000112.5
100M94.9Very high97.1Very high56 Ų5677.4 Ų77.428%0.27636%0.356SS..  trans-88.5119.9174.5-64.8-179.3-175.500109.7I96 R98 R102 K109 E110 V113I96-M100 HydrophobicContact CB-CE 4.41Å; I96-M100 HydrophobicContact CG1-CE 3.94Å; I96-M100 HydrophobicContact CG2-CE 4.29Å; I96-M100 HydrophobicContact CG2-CG 4.48Å; R98-M100 PolarHBondContact O-N 2.81Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-K109 HydrophobicContact CE-CB 3.61Å; M100-E110 HydrophobicContact SD-CG 4.02Å; M100-V113 HydrophobicContact CE-CG2 4.3Å; M100-V113 HydrophobicContact SD-CG2 4.26Å
101K97.2Very high97.1Very high209 Ų20979.7 Ų79.791%0.90937%0.365SS*.SBendtrans-78.2-20.9176.1-65.8-173.2179-177.60113.2
102R97.4Very high97.1Very high196 Ų19679.7 Ų79.774%0.7437%0.365SS*.  trans-146.3150.1-178.9-68.8-177.7-76.2-176.7-3.1108.4M100 T104M100-R102 VanDerWaalsContact C-N 3.34Å; R102-T104 HydrophobicContact CB-CG2 4.34Å
103I97.8Very high97.1Very high92 Ų9280 Ų8047%0.47237%0.367SS..  trans-122.3104.7174.1-59.8170.8000106.6V113 I114I103-V113 HydrophobicContact CD1-CG1 4.08Å; I103-V113 HydrophobicContact CG2-CG1 4.28Å; I103-I114 HydrophobicContact CG2-CD1 3.97Å; I103-I114 HydrophobicContact CG2-CG1 3.47Å; I103-I114 VanDerWaalsContact CG2-CG1 3.47Å
104T97.9Very high97.1Very high62 Ų6280 Ų8038%0.3837%0.368SS..  trans-138.5169.7-176.667.50000109.6R102 N106 E110 I114R102-T104 HydrophobicContact CB-CG2 4.34Å; T104-N106 PolarHBondContact O-N 3.36Å; T104-N106 WeakPolarHBondContact OG1-CB 3.14Å; T104-E110 WeakPolarHBondContact CA-OE2 3.38Å; T104-E110 WeakPolarHBondContact CB-OE2 3.41Å; T104-E110 PolarHBondContact N-OE2 3.09Å; T104-E110 WeakPolarHBondContact O-CB 3.42Å; T104-E110 VanDerWaalsContact O-OE2 3.12Å; T104-E110 PolarHBondContact OG1-OE2 2.78Å; T104-I114 VanDerWaalsContact C-CD1 3.45Å; T104-I114 WeakPolarHBondContact O-CD1 3.15Å
105W97.4Very high97.1Very high141 Ų14181 Ų8153%0.53437%0.371SS..THydrogen-bonded Turntrans-73.49.4179.9-150.5-106.5000114.5R111 I114 Q115W105-R111 HydrophobicContact CB-CG 4.5Å; W105-R111 HydrophobicContact CD2-CB 4.46Å; W105-R111 HydrophobicContact CD2-CG 3.55Å; W105-R111 HydrophobicContact CE3-CB 4.36Å; W105-R111 HydrophobicContact CE3-CG 3.81Å; W105-R111 HydrophobicContact CG-CG 3.87Å; W105-R111 HydrophobicContact CH2-CB 4.34Å; W105-R111 HydrophobicContact CH2-CG 4.38Å; W105-R111 HydrophobicContact CZ2-CB 4.45Å; W105-R111 HydrophobicContact CZ2-CG 4.16Å; W105-R111 HydrophobicContact CZ3-CB 4.3Å; W105-R111 HydrophobicContact CZ3-CG 4.21Å; W105-R111 VanDerWaalsContact NE1-CD 3.28Å; W105-R111 WeakPolarHBondContact O-CD 3.45Å; W105-R111 PolarHBondContact O-NH1 3.18Å; W105-R111 VanDerWaalsContact O-NH1 3.08Å; W105-I114 HydrophobicContact CE3-CB 4.12Å; W105-I114 HydrophobicContact CE3-CD1 3.69Å; W105-I114 HydrophobicContact CE3-CG2 3.93Å; W105-I114 HydrophobicContact CZ3-CB 3.76Å; W105-I114 HydrophobicContact CZ3-CD1 4.25Å; W105-I114 HydrophobicContact CZ3-CG2 3.51Å; W105-Q115 HydrophobicContact CH2-CG 3.87Å; W105-Q115 HydrophobicContact CZ3-CG 4.41Å
106N96.8Very high97.2Very high128 Ų12880.5 Ų80.568%0.68437%0.368SS*.THydrogen-bonded Turntrans-75.4-46.9-166.7-173.652.8000113.7T104 R111T104-N106 PolarHBondContact O-N 3.36Å; T104-N106 WeakPolarHBondContact OG1-CB 3.14Å; N106-R111 PolarHBondContact O-NH1 3Å
107T97.2Very high97.2Very high53 Ų5383.2 Ų83.233%0.32538%0.383SS..SBendtrans-109.1149.2-179.470.70000110.9K109 E110 R111T107-K109 PolarHBondContact O-N 3.06Å; T107-E110 VanDerWaalsContact CG2-OE1 3.3Å; T107-E110 WeakPolarHBondContact CG2-OE1 3.33Å; T107-E110 PolarHBondContact O-N 3.49Å; T107-E110 VanDerWaalsContact O-N 3.1Å; T107-E110 VanDerWaalsContact OG1-CD 3.32Å; T107-E110 VanDerWaalsContact OG1-CG 3.26Å; T107-E110 WeakPolarHBondContact OG1-CG 3.4Å; T107-E110 PolarHBondContact OG1-N 3.22Å; T107-E110 PolarHBondContact OG1-OE1 3.17Å; T107-R111 WeakPolarHBondContact O-CG 3.26Å; T107-R111 PolarHBondContact O-N 2.97Å
108W97Very high97.5Very high113 Ų11385.7 Ų85.743%0.42840%0.396SS..Hα-helixtrans-57.3-38.3179.467.2-88.4000112.1E75 E110 R111 L112E75-W108 HydrophobicContact CG-CB 4.14Å; W108-E110 PolarHBondContact O-N 3.47Å; W108-R111 WeakPolarHBondContact O-CB 3.28Å; W108-R111 PolarHBondContact O-N 3.14Å; W108-L112 HydrophobicContact CE3-CD1 3.7Å; W108-L112 HydrophobicContact CE3-CG 4.39Å; W108-L112 HydrophobicContact CZ3-CD1 3.67Å; W108-L112 WeakPolarHBondContact O-CG 3.32Å; W108-L112 PolarHBondContact O-N 3.37Å
109K97.2Very high97.6Very high66 Ų6680.2 Ų80.229%0.28738%0.381SS..Hα-helixtrans-64.4-39.5176.2-65.2-174.6165-1500113.1P95 M100 T107 V113P95-K109 VanDerWaalsContact O-CD 3.26Å; P95-K109 WeakPolarHBondContact O-CD 3.33Å; P95-K109 WeakPolarHBondContact O-CE 3.41Å; P95-K109 PolarHBondContact O-NZ 3.35Å; P95-K109 VanDerWaalsContact O-NZ 3.09Å; M100-K109 HydrophobicContact CE-CB 3.61Å; T107-K109 PolarHBondContact O-N 3.06Å; K109-V113 PolarHBondContact O-N 2.89Å
110E98.2Very high97.8Very high22 Ų2279.7 Ų79.710%0.10336%0.363CS..Hα-helixtrans-66.7-38.9173.5-69.6164.5-115.200111.1M100 T104 T107 W108 L112 V113 I114M100-E110 HydrophobicContact SD-CG 4.02Å; T104-E110 WeakPolarHBondContact CA-OE2 3.38Å; T104-E110 WeakPolarHBondContact CB-OE2 3.41Å; T104-E110 PolarHBondContact N-OE2 3.09Å; T104-E110 WeakPolarHBondContact O-CB 3.42Å; T104-E110 VanDerWaalsContact O-OE2 3.12Å; T104-E110 PolarHBondContact OG1-OE2 2.78Å; T107-E110 VanDerWaalsContact CG2-OE1 3.3Å; T107-E110 WeakPolarHBondContact CG2-OE1 3.33Å; T107-E110 PolarHBondContact O-N 3.49Å; T107-E110 VanDerWaalsContact O-N 3.1Å; T107-E110 VanDerWaalsContact OG1-CD 3.32Å; T107-E110 VanDerWaalsContact OG1-CG 3.26Å; T107-E110 WeakPolarHBondContact OG1-CG 3.4Å; T107-E110 PolarHBondContact OG1-N 3.22Å; T107-E110 PolarHBondContact OG1-OE1 3.17Å; W108-E110 PolarHBondContact O-N 3.47Å; E110-L112 VanDerWaalsContact C-N 3.35Å; E110-L112 PolarHBondContact O-N 3.07Å; E110-V113 PolarHBondContact O-N 2.78Å; E110-V113 VanDerWaalsContact O-N 3.15Å; E110-I114 WeakPolarHBondContact O-CG1 3.33Å; E110-I114 PolarHBondContact O-N 2.72Å
111R98.5Very high98Very high48 Ų4877.2 Ų77.218%0.18135%0.351CS..Hα-helixtrans-62-39176-67.6-168.5-64.2-934.2112.8E75 W105 N106 T107 W108 V113 I114 Q115E75-R111 IonicContact OE1-CZ 3.37Å; E75-R111 IonicContact OE1-NE 2.67Å; E75-R111 PolarHBondContact OE1-NE 3.05Å; E75-R111 IonicContact OE1-NH2 3.2Å; E75-R111 PolarHBondContact OE1-NH2 3.17Å; E75-R111 IonicContact OE2-CZ 3.82Å; E75-R111 IonicContact OE2-NE 3.81Å; E75-R111 IonicContact OE2-NH2 2.91Å; E75-R111 PolarHBondContact OE2-NH2 3.26Å; W105-R111 HydrophobicContact CB-CG 4.5Å; W105-R111 HydrophobicContact CD2-CB 4.46Å; W105-R111 HydrophobicContact CD2-CG 3.55Å; W105-R111 HydrophobicContact CE3-CB 4.36Å; W105-R111 HydrophobicContact CE3-CG 3.81Å; W105-R111 HydrophobicContact CG-CG 3.87Å; W105-R111 HydrophobicContact CH2-CB 4.34Å; W105-R111 HydrophobicContact CH2-CG 4.38Å; W105-R111 HydrophobicContact CZ2-CB 4.45Å; W105-R111 HydrophobicContact CZ2-CG 4.16Å; W105-R111 HydrophobicContact CZ3-CB 4.3Å; W105-R111 HydrophobicContact CZ3-CG 4.21Å; W105-R111 VanDerWaalsContact NE1-CD 3.28Å; W105-R111 WeakPolarHBondContact O-CD 3.45Å; W105-R111 PolarHBondContact O-NH1 3.18Å; W105-R111 VanDerWaalsContact O-NH1 3.08Å; N106-R111 PolarHBondContact O-NH1 3Å; T107-R111 WeakPolarHBondContact O-CG 3.26Å; T107-R111 PolarHBondContact O-N 2.97Å; W108-R111 WeakPolarHBondContact O-CB 3.28Å; W108-R111 PolarHBondContact O-N 3.14Å; R111-V113 VanDerWaalsContact C-N 3.32Å; R111-V113 PolarHBondContact O-N 3.16Å; R111-I114 PolarHBondContact O-N 2.84Å; R111-Q115 WeakPolarHBondContact O-CB 3.41Å; R111-Q115 WeakPolarHBondContact O-CG 3.05Å; R111-Q115 PolarHBondContact O-N 3.02Å
112L98.6Very high98Very high0 Ų067.2 Ų67.20%031%0.307CS..Hα-helixtrans-57.4-44.6172-66.3174.8000112L73 E75 M78 P95 W108 E110 A116L73-L112 HydrophobicContact CG-CD1 4.3Å; L73-L112 HydrophobicContact CG-CD2 4.31Å; L73-L112 WeakPolarHBondContact O-CD1 3.4Å; E75-L112 HydrophobicContact CG-CD2 4.31Å; M78-L112 HydrophobicContact CB-CD2 3.61Å; M78-L112 HydrophobicContact CE-CB 4.31Å; M78-L112 HydrophobicContact CE-CD2 4.16Å; M78-L112 WeakPolarHBondContact CE-O 3.19Å; M78-L112 HydrophobicContact CG-CD2 4.11Å; P95-L112 HydrophobicContact CB-CD1 4.16Å; W108-L112 HydrophobicContact CE3-CD1 3.7Å; W108-L112 HydrophobicContact CE3-CG 4.39Å; W108-L112 HydrophobicContact CZ3-CD1 3.67Å; W108-L112 WeakPolarHBondContact O-CG 3.32Å; W108-L112 PolarHBondContact O-N 3.37Å; E110-L112 VanDerWaalsContact C-N 3.35Å; E110-L112 PolarHBondContact O-N 3.07Å; L112-A116 VanDerWaalsContact O-CB 3.27Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.05Å
113V98.6Very high98.1Very high6 Ų658 Ų584%0.03627%0.272CS..Hα-helixtrans-65.1-44.1178.1177.60000110.9V56 I96 M100 I103 K109 E110 R111 A116 L117V56-V113 HydrophobicContact CG2-CB 4.44Å; V56-V113 HydrophobicContact CG2-CG1 4.03Å; V56-V113 HydrophobicContact CG2-CG2 4.04Å; I96-V113 HydrophobicContact CD1-CG2 3.67Å; I96-V113 HydrophobicContact CG1-CG2 3.95Å; M100-V113 HydrophobicContact CE-CG2 4.3Å; M100-V113 HydrophobicContact SD-CG2 4.26Å; I103-V113 HydrophobicContact CD1-CG1 4.08Å; I103-V113 HydrophobicContact CG2-CG1 4.28Å; K109-V113 PolarHBondContact O-N 2.89Å; E110-V113 PolarHBondContact O-N 2.78Å; E110-V113 VanDerWaalsContact O-N 3.15Å; R111-V113 VanDerWaalsContact C-N 3.32Å; R111-V113 PolarHBondContact O-N 3.16Å; V113-A116 PolarHBondContact O-N 3.39Å; V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 HydrophobicContact CG1-CG 4.44Å; V113-L117 VanDerWaalsContact O-CG 3.32Å; V113-L117 WeakPolarHBondContact O-CG 3.45Å; V113-L117 PolarHBondContact O-N 3.5Å
114I98.6Very high98.2Very high27 Ų2753.7 Ų53.714%0.13825%0.251CS..Hα-helixtrans-62.5-49.1178.4-63.7165.6000110.3I103 T104 W105 E110 R111 A116 L117 E118I103-I114 HydrophobicContact CG2-CD1 3.97Å; I103-I114 HydrophobicContact CG2-CG1 3.47Å; I103-I114 VanDerWaalsContact CG2-CG1 3.47Å; T104-I114 VanDerWaalsContact C-CD1 3.45Å; T104-I114 WeakPolarHBondContact O-CD1 3.15Å; W105-I114 HydrophobicContact CE3-CB 4.12Å; W105-I114 HydrophobicContact CE3-CD1 3.69Å; W105-I114 HydrophobicContact CE3-CG2 3.93Å; W105-I114 HydrophobicContact CZ3-CB 3.76Å; W105-I114 HydrophobicContact CZ3-CD1 4.25Å; W105-I114 HydrophobicContact CZ3-CG2 3.51Å; E110-I114 WeakPolarHBondContact O-CG1 3.33Å; E110-I114 PolarHBondContact O-N 2.72Å; R111-I114 PolarHBondContact O-N 2.84Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.41Å; I114-L117 PolarHBondContact O-N 2.9Å; I114-E118 HydrophobicContact CG2-CG 4.09Å; I114-E118 WeakPolarHBondContact O-CB 3.29Å; I114-E118 WeakPolarHBondContact O-CG 3.47Å; I114-E118 PolarHBondContact O-N 3.47Å
115Q98.6Very high98.2Very high29 Ų2950.8 Ų50.814%0.13623%0.232CC..Hα-helixtrans-58.5-44177.3-75.1-178.4-33.900111.8M78 W105 R111 L117 N119M78-Q115 HydrophobicContact CG-CB 4.2Å; M78-Q115 VanDerWaalsContact CG-OE1 3.27Å; W105-Q115 HydrophobicContact CH2-CG 3.87Å; W105-Q115 HydrophobicContact CZ3-CG 4.41Å; R111-Q115 WeakPolarHBondContact O-CB 3.41Å; R111-Q115 WeakPolarHBondContact O-CG 3.05Å; R111-Q115 PolarHBondContact O-N 3.02Å; Q115-L117 PolarHBondContact O-N 3Å; Q115-N119 WeakPolarHBondContact O-CB 3.34Å; Q115-N119 PolarHBondContact O-N 3.4Å; Q115-N119 PolarHBondContact O-ND2 3.46Å
116A98.7Very high98.2Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-59.9-46.9176.500000111.6V56 M78 L112 V113 I114 N119 R120 V121 I123V56-A116 HydrophobicContact CG1-CB 4.15Å; M78-A116 HydrophobicContact CE-CB 4.07Å; L112-A116 VanDerWaalsContact O-CB 3.27Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.05Å; V113-A116 PolarHBondContact O-N 3.39Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.41Å; A116-N119 CarbonylContact O-C 3.38Å; A116-N119 PolarHBondContact O-N 3.2Å; A116-R120 CarbonylContact O-C 3.58Å; A116-R120 WeakPolarHBondContact O-CA 3.21Å; A116-R120 PolarHBondContact O-N 2.89Å; A116-V121 WeakPolarHBondContact CB-O 3.31Å; A116-V121 PolarHBondContact O-N 3.21Å; A116-I123 HydrophobicContact CB-CD1 3.78Å; A116-I123 HydrophobicContact CB-CG1 4.05Å
117L98.3Very high98.3Very high83 Ų8339 Ų3944%0.43518%0.179SC..Hα-helixtrans-67-45.2179.6-69.8172.9000112.9V56 V113 I114 Q115 N119 R120V56-L117 HydrophobicContact CG1-CD2 3.61Å; V56-L117 HydrophobicContact CG1-CG 3.85Å; V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 HydrophobicContact CG1-CG 4.44Å; V113-L117 VanDerWaalsContact O-CG 3.32Å; V113-L117 WeakPolarHBondContact O-CG 3.45Å; V113-L117 PolarHBondContact O-N 3.5Å; I114-L117 PolarHBondContact O-N 2.9Å; Q115-L117 PolarHBondContact O-N 3Å; L117-N119 PolarHBondContact O-N 3.1Å; L117-R120 PolarHBondContact O-N 2.76Å; L117-R120 VanDerWaalsContact O-N 3.12Å
118E98.1Very high98.4Very high140 Ų14036.6 Ų36.665%0.65417%0.165SC*.Hα-helixtrans-62.1-33.2179-73.9-178.6161.600112.1I114I114-E118 HydrophobicContact CG2-CG 4.09Å; I114-E118 WeakPolarHBondContact O-CB 3.29Å; I114-E118 WeakPolarHBondContact O-CG 3.47Å; I114-E118 PolarHBondContact O-N 3.47Å
119N98.5Very high98.4Very high86 Ų8631.2 Ų31.246%0.4614%0.144SC..THydrogen-bonded Turntrans-95.94.2178.1-66.6-83.7000113.5L82 Q115 A116 L117 V121L82-N119 HydrophobicContact CD2-CB 3.53Å; Q115-N119 WeakPolarHBondContact O-CB 3.34Å; Q115-N119 PolarHBondContact O-N 3.4Å; Q115-N119 PolarHBondContact O-ND2 3.46Å; A116-N119 CarbonylContact O-C 3.38Å; A116-N119 PolarHBondContact O-N 3.2Å; L117-N119 PolarHBondContact O-N 3.1Å; N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 HydrophobicContact CB-CG2 4.03Å; N119-V121 PolarHBondContact O-N 3.12Å
120R98.1Very high98.5Very high116 Ų11628.1 Ų28.144%0.43813%0.131SC..THydrogen-bonded Turntrans55.140.3-177.6-56.6178.958.985.15.6113.7P58 S59 H62 A116 L117P58-R120 HydrophobicContact CB-CB 4.43Å; S59-R120 PolarHBondContact O-NH2 3.1Å; H62-R120 PolarHBondContact CE1-O 3.04Å; H62-R120 PolarHBondContact NE2-O 3.38Å; A116-R120 CarbonylContact O-C 3.58Å; A116-R120 WeakPolarHBondContact O-CA 3.21Å; A116-R120 PolarHBondContact O-N 2.89Å; L117-R120 PolarHBondContact O-N 2.76Å; L117-R120 VanDerWaalsContact O-N 3.12Å
121V98.7Very high98.5Very high4 Ų427.9 Ų27.92%0.02413%0.13CC..  trans-102.3130.4177.6-176.60000109.8P58 L82 A86 I89 A116 N119P58-V121 VanDerWaalsContact CG-C 3.47Å; L82-V121 HydrophobicContact CD2-CG2 3.73Å; A86-V121 HydrophobicContact CB-CG1 4.3Å; A86-V121 WeakPolarHBondContact O-CG2 3.18Å; I89-V121 HydrophobicContact CD1-CG1 3.85Å; I89-V121 HydrophobicContact CG1-CG1 3.78Å; A116-V121 WeakPolarHBondContact CB-O 3.31Å; A116-V121 PolarHBondContact O-N 3.21Å; N119-V121 VanDerWaalsContact C-N 3.31Å; N119-V121 HydrophobicContact CB-CG2 4.03Å; N119-V121 PolarHBondContact O-N 3.12Å
122G98.8Very high98.5Very high0 Ų025.6 Ų25.60%012%0.121CC..EExtended strand (participates in β ladder)trans-77.3154.417400000111.9V56 P58 D87 I89V56-G122 VanDerWaalsContact O-CA 3.3Å; V56-G122 WeakPolarHBondContact O-CA 3.2Å; P58-G122 VanDerWaalsContact CG-N 3.3Å; D87-G122 PolarHBondContact O-N 2.91Å; I89-G122 PolarHBondContact N-O 3.03Å
123I98.9Very high98.4Very high1 Ų125.6 Ų25.61%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-123.5122.7169.4-58.5179.1000108.5L55 V56 L73 M78 I89 P95 A116L55-I123 HydrophobicContact CB-CG2 4.44Å; L55-I123 PolarHBondContact N-O 2.78Å; V56-I123 HydrophobicContact CB-CB 3.93Å; V56-I123 HydrophobicContact CB-CD1 4.25Å; V56-I123 HydrophobicContact CB-CG1 4.05Å; V56-I123 HydrophobicContact CG2-CB 4.09Å; V56-I123 HydrophobicContact CG2-CD1 3.86Å; V56-I123 HydrophobicContact CG2-CG1 4.18Å; V56-I123 PolarHBondContact N-O 2.95Å; V56-I123 PolarHBondContact O-N 2.77Å; L73-I123 HydrophobicContact CD2-CD1 3.83Å; L73-I123 HydrophobicContact CD2-CG1 4.34Å; L73-I123 HydrophobicContact CD2-CG2 4.34Å; M78-I123 HydrophobicContact CE-CD1 4.09Å; I89-I123 CarbonylContact O-C 3.54Å; I89-I123 WeakPolarHBondContact O-CA 3.45Å; P95-I123 HydrophobicContact CG-CG2 3.75Å; A116-I123 HydrophobicContact CB-CD1 3.78Å; A116-I123 HydrophobicContact CB-CG1 4.05Å
124Y98.9Very high98.3Very high3 Ų327.7 Ų27.71%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-121.2143.2175.7172.7-90.2000110.1L34 L37 L43 G53 I89 L90 S91 P126L34-Y124 HydrophobicContact CD2-CD2 3.46Å; L34-Y124 VanDerWaalsContact CD2-CD2 3.46Å; L34-Y124 HydrophobicContact CD2-CE2 3.98Å; L34-Y124 HydrophobicContact CD2-CG 4.18Å; L37-Y124 HydrophobicContact CD1-CD1 4.12Å; L37-Y124 HydrophobicContact CD1-CE1 4.07Å; L37-Y124 HydrophobicContact CD1-CG 4.43Å; L43-Y124 HydrophobicContact CD1-CE2 4.3Å; L43-Y124 HydrophobicContact CD2-CE2 4.45Å; L43-Y124 WeakPolarHBondContact CD2-OH 3.39Å; G53-Y124 CarbonylContact O-C 3.47Å; G53-Y124 VanDerWaalsContact O-CA 3.28Å; G53-Y124 WeakPolarHBondContact O-CA 3.28Å; G53-Y124 WeakPolarHBondContact O-CD2 3.36Å; I89-Y124 PolarHBondContact O-N 3.37Å; L90-Y124 CarbonylContact C-O 3.57Å; L90-Y124 VanDerWaalsContact CA-O 3.31Å; L90-Y124 WeakPolarHBondContact CA-O 3.39Å; L90-Y124 HydrophobicContact CB-CD1 4.46Å; L90-Y124 HydrophobicContact CD1-CD1 3.94Å; L90-Y124 HydrophobicContact CD1-CE1 4.06Å; L90-Y124 HydrophobicContact CG-CD1 3.91Å; L90-Y124 HydrophobicContact CG-CE1 4.39Å; S91-Y124 PolarHBondContact N-O 2.94Å; Y124-P126 HydrophobicContact CE1-CB 3.95Å; Y124-P126 HydrophobicContact CE1-CG 4.22Å
125S98.8Very high98.2Very high0 Ų029.2 Ų29.20%014%0.142CC..EExtended strand (participates in β ladder)trans-134.9117.7178.3-175.90000111.6V52 G53 S91 Y92 P94V52-S125 CarbonylContact C-O 3.58Å; V52-S125 VanDerWaalsContact CA-O 3.22Å; V52-S125 WeakPolarHBondContact CA-O 3.49Å; V52-S125 WeakPolarHBondContact CB-O 3.42Å; G53-S125 PolarHBondContact N-O 2.72Å; G53-S125 PolarHBondContact O-N 2.95Å; S91-S125 VanDerWaalsContact O-CA 3.27Å; S91-S125 WeakPolarHBondContact O-CA 3.07Å; S91-S125 WeakPolarHBondContact O-CB 3.35Å; S91-S125 PolarHBondContact O-OG 3.22Å; Y92-S125 PolarHBondContact O-OG 2.83Å; P94-S125 VanDerWaalsContact CA-OG 3.28Å; P94-S125 WeakPolarHBondContact CA-OG 3.37Å; P94-S125 WeakPolarHBondContact CB-OG 3.41Å
126P98.3Very high98.1Very high0 Ų027.9 Ų27.90%014%0.136CC..  trans-86.9-31.1176.631.1-31.3000113.8V52 L90 Y124 T128 A129 Y130V52-P126 VanDerWaalsContact CG1-O 3.31Å; V52-P126 WeakPolarHBondContact CG1-O 3.13Å; L90-P126 HydrophobicContact CD1-CG 4.44Å; L90-P126 HydrophobicContact CD2-CG 3.97Å; L90-P126 HydrophobicContact CG-CG 4.29Å; Y124-P126 HydrophobicContact CE1-CB 3.95Å; Y124-P126 HydrophobicContact CE1-CG 4.22Å; P126-T128 PolarHBondContact O-N 3.17Å; P126-A129 VanDerWaalsContact O-CB 3.25Å; P126-A129 WeakPolarHBondContact O-CB 3.39Å; P126-A129 PolarHBondContact O-N 3.26Å; P126-Y130 HydrophobicContact CB-CD1 3.35Å; P126-Y130 HydrophobicContact CB-CD2 3.71Å; P126-Y130 HydrophobicContact CB-CE1 3.4Å; P126-Y130 VanDerWaalsContact CB-CE1 3.4Å; P126-Y130 HydrophobicContact CB-CE2 3.8Å; P126-Y130 HydrophobicContact CB-CG 3.49Å; P126-Y130 VanDerWaalsContact CB-CG 3.49Å; P126-Y130 HydrophobicContact CG-CD1 4.2Å; P126-Y130 HydrophobicContact CG-CD2 3.6Å; P126-Y130 HydrophobicContact CG-CE1 4.27Å; P126-Y130 HydrophobicContact CG-CE2 3.73Å; P126-Y130 HydrophobicContact CG-CG 3.86Å
127H98.5Very high98.1Very high21 Ų2127.9 Ų27.910%0.09714%0.136CC..THydrogen-bonded Turntrans36.4-119177.4-165.3-146.4000114W49 D50 V52 Y92 H93 A129 Y130 D131W49-H127 AromaticContact CH2-CE1 3.98Å; W49-H127 AromaticContact CZ3-CE1 3.97Å; D50-H127 IonicContact OD1-CE1 3.35Å; D50-H127 IonicContact OD1-CG 3.8Å; D50-H127 IonicContact OD1-ND1 3.74Å; D50-H127 PolarHBondContact OD1-ND1 2.83Å; D50-H127 WeakPolarHBondContact OD2-CB 3.18Å; D50-H127 IonicContact OD2-CE1 3.35Å; D50-H127 IonicContact OD2-CG 2.81Å; D50-H127 IonicContact OD2-ND1 3.41Å; D50-H127 PolarHBondContact OD2-ND1 2.65Å; V52-H127 HydrophobicContact CG1-CB 4.07Å; Y92-H127 VanDerWaalsContact O-CA 3.22Å; Y92-H127 WeakPolarHBondContact O-CA 3.32Å; Y92-H127 VanDerWaalsContact O-CB 3.32Å; Y92-H127 WeakPolarHBondContact O-CB 3.49Å; Y92-H127 PolarHBondContact O-N 3.42Å; H93-H127 AromaticContact CD2-CD2 3.65Å; H93-H127 AromaticContact CD2-NE2 3.77Å; H127-A129 PolarHBondContact O-N 3.04Å; H127-A129 VanDerWaalsContact O-N 3.09Å; H127-Y130 PolarHBondContact O-N 3.05Å; H127-D131 PolarHBondContact O-N 2.88Å
128T98.4Very high98.1Very high4 Ų424 Ų243%0.02512%0.115CC..Hα-helixtrans-64.9-19.3-173.761.50000114.3A46 E47 W49 D50 P126 Y130 D131 A132 M250A46-T128 VanDerWaalsContact CA-OG1 3.29Å; A46-T128 WeakPolarHBondContact CA-OG1 3.34Å; A46-T128 WeakPolarHBondContact CB-OG1 3.3Å; E47-T128 HydrophobicContact CB-CG2 4.41Å; E47-T128 HydrophobicContact CG-CG2 4.33Å; E47-T128 PolarHBondContact N-OG1 2.88Å; W49-T128 HydrophobicContact CH2-CG2 3.61Å; W49-T128 HydrophobicContact CZ2-CG2 3.94Å; W49-T128 HydrophobicContact CZ3-CG2 4.43Å; D50-T128 VanDerWaalsContact OD2-CB 3.32Å; D50-T128 WeakPolarHBondContact OD2-CB 3.45Å; D50-T128 VanDerWaalsContact OD2-CG2 3.31Å; D50-T128 WeakPolarHBondContact OD2-CG2 3.33Å; D50-T128 PolarHBondContact OD2-N 2.97Å; D50-T128 VanDerWaalsContact OD2-N 3.08Å; D50-T128 PolarHBondContact OD2-OG1 3.41Å; P126-T128 PolarHBondContact O-N 3.17Å; T128-Y130 PolarHBondContact O-N 3.18Å; T128-D131 WeakPolarHBondContact CA-OD2 3.46Å; T128-D131 WeakPolarHBondContact O-CB 3.45Å; T128-D131 PolarHBondContact O-N 2.92Å; T128-A132 WeakPolarHBondContact O-CB 3.06Å; T128-A132 PolarHBondContact O-N 3.44Å; T128-M250 WeakPolarHBondContact O-CE 3.25Å
129A98.3Very high98.1Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-62.5-3717100000111.4L43 A46 P126 H127 A132 A133L43-A129 HydrophobicContact CD2-CB 4.21Å; A46-A129 HydrophobicContact CB-CB 4.13Å; P126-A129 VanDerWaalsContact O-CB 3.25Å; P126-A129 WeakPolarHBondContact O-CB 3.39Å; P126-A129 PolarHBondContact O-N 3.26Å; H127-A129 PolarHBondContact O-N 3.04Å; H127-A129 VanDerWaalsContact O-N 3.09Å; A129-A132 PolarHBondContact O-N 3.26Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.78Å; A129-A133 VanDerWaalsContact O-N 3.09Å
130Y98.4Very high98.1Very high1 Ų116 Ų160%0.0048%0.076CC..Hα-helixtrans-84.6-19.2177-78.826.2000112F40 A41 Y92 P126 H127 T128 A132 G136 V137 F346 L350F40-Y130 HydrophobicContact CD1-CE1 4.22Å; F40-Y130 HydrophobicContact CD1-CE2 4.24Å; F40-Y130 AromaticContact CD1-CZ 3.74Å; F40-Y130 WeakPolarHBondContact CD1-OH 3.41Å; F40-Y130 HydrophobicContact CE1-CE2 4.06Å; A41-Y130 HydrophobicContact CB-CD1 3.58Å; A41-Y130 HydrophobicContact CB-CE1 3.43Å; A41-Y130 VanDerWaalsContact CB-CE1 3.43Å; Y92-Y130 HydrophobicContact CE2-CD2 4.44Å; P126-Y130 HydrophobicContact CB-CD1 3.35Å; P126-Y130 HydrophobicContact CB-CD2 3.71Å; P126-Y130 HydrophobicContact CB-CE1 3.4Å; P126-Y130 VanDerWaalsContact CB-CE1 3.4Å; P126-Y130 HydrophobicContact CB-CE2 3.8Å; P126-Y130 HydrophobicContact CB-CG 3.49Å; P126-Y130 VanDerWaalsContact CB-CG 3.49Å; P126-Y130 HydrophobicContact CG-CD1 4.2Å; P126-Y130 HydrophobicContact CG-CD2 3.6Å; P126-Y130 HydrophobicContact CG-CE1 4.27Å; P126-Y130 HydrophobicContact CG-CE2 3.73Å; P126-Y130 HydrophobicContact CG-CG 3.86Å; H127-Y130 PolarHBondContact O-N 3.05Å; T128-Y130 PolarHBondContact O-N 3.18Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-G136 CarbonylContact O-C 3.46Å; Y130-G136 WeakPolarHBondContact O-CA 3.11Å; Y130-V137 PolarHBondContact O-N 2.8Å; Y130-F346 HydrophobicContact CD2-CE1 4.27Å; Y130-L350 HydrophobicContact CD2-CD1 4.15Å; Y130-L350 HydrophobicContact CD2-CD2 4.16Å; Y130-L350 HydrophobicContact CE2-CD1 3.69Å; Y130-L350 HydrophobicContact CE2-CD2 3.94Å; Y130-L350 HydrophobicContact CE2-CG 4.47Å
131D98.5Very high98.2Very high16 Ų1610.6 Ų10.69%0.0866%0.056CC..Hα-helixtrans-64.3-40.5163.6-62-25.7000111.5Y92 H127 T128 V137 N138 M250Y92-D131 PolarHBondContact OH-N 2.86Å; Y92-D131 PolarHBondContact OH-OD1 3.28Å; H127-D131 PolarHBondContact O-N 2.88Å; T128-D131 WeakPolarHBondContact CA-OD2 3.46Å; T128-D131 WeakPolarHBondContact O-CB 3.45Å; T128-D131 PolarHBondContact O-N 2.92Å; D131-V137 HydrophobicContact CB-CG1 4.43Å; D131-V137 WeakPolarHBondContact OD1-CG1 3.47Å; D131-N138 PolarHBondContact O-ND2 3.22Å; D131-M250 HydrophobicContact CB-SD 3.96Å
132A98.1Very high98.1Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-77-35-176.600000114F45 T128 A129 Y130 T248 G249 M250 R252F45-A132 HydrophobicContact CB-CB 3.77Å; T128-A132 WeakPolarHBondContact O-CB 3.06Å; T128-A132 PolarHBondContact O-N 3.44Å; A129-A132 PolarHBondContact O-N 3.26Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; A132-T248 HydrophobicContact CB-CG2 4.21Å; A132-T248 WeakPolarHBondContact O-CA 3.08Å; A132-G249 VanDerWaalsContact CA-O 3.28Å; A132-G249 WeakPolarHBondContact CA-O 3.4Å; A132-G249 PolarHBondContact O-N 3.18Å; A132-M250 HydrophobicContact CB-CE 3.64Å; A132-M250 HydrophobicContact CB-SD 4.14Å; A132-R252 PolarHBondContact O-NH2 2.81Å
133A97.4Very high98.1Very high1 Ų116.7 Ų16.71%0.0088%0.083CC..SBendtrans-57146.4-168.800000113.4A41 A129 Q135 G136 R252A41-A133 HydrophobicContact CB-CB 3.74Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 2.78Å; A129-A133 VanDerWaalsContact O-N 3.09Å; A133-Q135 PolarHBondContact O-N 2.87Å; A133-G136 WeakPolarHBondContact O-CA 3.38Å; A133-G136 PolarHBondContact O-N 2.85Å; A133-R252 PolarHBondContact O-NH2 2.78Å
134P95.8Very high98.1Very high49 Ų4917 Ų1732%0.3189%0.086SC..THydrogen-bonded Turntrans-59.2-30177.5-25.134000114.5N139 H247 T248P134-N139 WeakPolarHBondContact O-CB 3.3Å; P134-N139 PolarHBondContact O-ND2 3.05Å; P134-N139 VanDerWaalsContact O-ND2 3.09Å; P134-N139 PolarHBondContact O-OD1 3.49Å; P134-H247 HydrophobicContact CB-CB 4.13Å; P134-H247 HydrophobicContact CG-CB 4.13Å; P134-T248 WeakPolarHBondContact CG-OG1 3.46Å
135Q95.8Very high98Very high60 Ų6016.8 Ų16.828%0.289%0.086SC..THydrogen-bonded Turntrans-101.415.2175.372-80.717.200112.7F40 A133 F346 M353F40-Q135 HydrophobicContact CE1-CG 4.13Å; F40-Q135 HydrophobicContact CE2-CG 4Å; F40-Q135 HydrophobicContact CZ-CG 3.58Å; F40-Q135 PolarHBondContact O-NE2 3.3Å; A133-Q135 PolarHBondContact O-N 2.87Å; Q135-F346 VanDerWaalsContact O-CE2 3.3Å; Q135-F346 WeakPolarHBondContact O-CE2 3.41Å; Q135-F346 WeakPolarHBondContact O-CZ 3.4Å; Q135-M353 HydrophobicContact CB-SD 4.16Å; Q135-M353 HydrophobicContact CG-SD 4.34Å
136G97.6Very high98Very high1 Ų118.3 Ų18.31%0.0110%0.101CC..SBendtrans-79.1-175.6-173.600000115.6Y130 A133 N138 N139 W140Y130-G136 CarbonylContact O-C 3.46Å; Y130-G136 WeakPolarHBondContact O-CA 3.11Å; A133-G136 WeakPolarHBondContact O-CA 3.38Å; A133-G136 PolarHBondContact O-N 2.85Å; G136-N138 VanDerWaalsContact C-N 3.3Å; G136-N138 PolarHBondContact O-N 2.93Å; G136-N139 PolarHBondContact O-N 3.19Å; G136-N139 VanDerWaalsContact O-N 3.14Å; G136-W140 PolarHBondContact O-N 3.07Å
137V98.6Very high97.9Very high0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-60.4-36.9-174.970.10000112.5Y92 Y130 D131 N139 W140 L141 A299 E343 F346Y92-V137 WeakPolarHBondContact OH-CB 3.32Å; Y92-V137 WeakPolarHBondContact OH-CG1 3.32Å; Y130-V137 PolarHBondContact O-N 2.8Å; D131-V137 HydrophobicContact CB-CG1 4.43Å; D131-V137 WeakPolarHBondContact OD1-CG1 3.47Å; V137-N139 VanDerWaalsContact C-N 3.34Å; V137-N139 PolarHBondContact O-N 3.38Å; V137-W140 HydrophobicContact CG2-CE3 4.04Å; V137-W140 WeakPolarHBondContact O-CB 3.46Å; V137-W140 PolarHBondContact O-N 3.05Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 PolarHBondContact O-N 3.29Å; V137-A299 HydrophobicContact CG1-CB 3.84Å; V137-A299 HydrophobicContact CG2-CB 3.86Å; V137-E343 HydrophobicContact CG2-CB 4.25Å; V137-E343 HydrophobicContact CG2-CG 4.29Å; V137-F346 HydrophobicContact CB-CB 4.3Å; V137-F346 HydrophobicContact CB-CD1 3.89Å; V137-F346 HydrophobicContact CB-CE1 4.4Å; V137-F346 HydrophobicContact CB-CG 4.05Å; V137-F346 HydrophobicContact CG2-CB 3.88Å; V137-F346 HydrophobicContact CG2-CD1 4.31Å; V137-F346 HydrophobicContact CG2-CG 4.19Å
138N98.6Very high97.9Very high0 Ų022.2 Ų22.20%014%0.135CC..Hα-helixtrans-69.2-34.3-179.3-73.6-59.7000112D131 G136 A142 R252 L297 C298 A299D131-N138 PolarHBondContact O-ND2 3.22Å; G136-N138 VanDerWaalsContact C-N 3.3Å; G136-N138 PolarHBondContact O-N 2.93Å; N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 3.07Å; N138-R252 HydrophobicContact CB-CG 3.9Å; N138-L297 HydrophobicContact CB-CD1 4.1Å; N138-L297 WeakPolarHBondContact O-CD1 3.21Å; N138-C298 WeakPolarHBondContact OD1-CA 3.2Å; N138-A299 PolarHBondContact OD1-N 3.01Å
139N97.9Very high97.8Very high45 Ų4526.4 Ų26.424%0.24116%0.16CC..Hα-helixtrans-71.3-37.3172.3-77.675.9000111.6P134 G136 V137 A142 K143 R252P134-N139 WeakPolarHBondContact O-CB 3.3Å; P134-N139 PolarHBondContact O-ND2 3.05Å; P134-N139 VanDerWaalsContact O-ND2 3.09Å; P134-N139 PolarHBondContact O-OD1 3.49Å; G136-N139 PolarHBondContact O-N 3.19Å; G136-N139 VanDerWaalsContact O-N 3.14Å; V137-N139 VanDerWaalsContact C-N 3.34Å; V137-N139 PolarHBondContact O-N 3.38Å; N139-A142 PolarHBondContact O-N 3.12Å; N139-K143 PolarHBondContact O-N 2.81Å; N139-R252 PolarHBondContact OD1-NE 2.66Å; N139-R252 PolarHBondContact OD1-NH2 3.4Å
140W98.5Very high97.8Very high15 Ų1528.4 Ų28.46%0.05717%0.174CC..Hα-helixtrans-60.2-50.7172.1168.285.3000111.4G136 V137 A142 K143 H272 L273 T342 G345 F346 D349G136-W140 PolarHBondContact O-N 3.07Å; V137-W140 HydrophobicContact CG2-CE3 4.04Å; V137-W140 WeakPolarHBondContact O-CB 3.46Å; V137-W140 PolarHBondContact O-N 3.05Å; W140-A142 VanDerWaalsContact C-N 3.28Å; W140-A142 PolarHBondContact O-N 3.27Å; W140-K143 WeakPolarHBondContact O-CB 3.23Å; W140-K143 WeakPolarHBondContact O-CG 3.24Å; W140-K143 PolarHBondContact O-N 2.82Å; W140-H272 AromaticContact CD2-NE2 3.88Å; W140-H272 AromaticContact CE2-CE1 3.87Å; W140-H272 AromaticContact CE2-NE2 3.63Å; W140-H272 AromaticContact CZ2-NE2 3.73Å; W140-H272 AromaticContact NE1-CE1 3.92Å; W140-H272 PolarHBondContact O-CE1 3.03Å; W140-H272 PolarHBondContact O-NE2 3.02Å; W140-L273 HydrophobicContact CH2-CD2 3.56Å; W140-L273 HydrophobicContact CZ2-CD2 4.48Å; W140-L273 HydrophobicContact CZ3-CD2 3.95Å; W140-T342 WeakPolarHBondContact CZ3-O 3.03Å; W140-G345 VanDerWaalsContact CZ2-CA 3.41Å; W140-F346 HydrophobicContact CB-CB 4.43Å; W140-F346 HydrophobicContact CB-CD2 3.55Å; W140-F346 HydrophobicContact CB-CE2 4.21Å; W140-F346 HydrophobicContact CB-CG 4.34Å; W140-F346 HydrophobicContact CD2-CB 3.75Å; W140-F346 HydrophobicContact CD2-CD2 4.42Å; W140-F346 HydrophobicContact CE3-CB 3.82Å; W140-F346 HydrophobicContact CG-CB 4.02Å; W140-F346 AromaticContact CG-CD2 3.78Å; W140-F346 HydrophobicContact CG-CD2 3.78Å; W140-F346 HydrophobicContact CG-CG 4.36Å; W140-F346 HydrophobicContact CZ3-CB 4.39Å; W140-D349 VanDerWaalsContact CD1-OD2 3.29Å
141L98.7Very high97.7Very high2 Ų235 Ų351%0.0120%0.199CC..Hα-helixtrans-59.3-38.5178.6-177.259.6000111.9V137 K143 G144 L273 L297 A299 L315V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 PolarHBondContact O-N 3.29Å; L141-K143 PolarHBondContact O-N 3.43Å; L141-G144 PolarHBondContact O-N 3.34Å; L141-L273 HydrophobicContact CD1-CD1 4.3Å; L141-L273 HydrophobicContact CD1-CD2 3.77Å; L141-L273 HydrophobicContact CD1-CG 4.43Å; L141-L297 HydrophobicContact CB-CD1 4.33Å; L141-L297 HydrophobicContact CD2-CD1 4.06Å; L141-L297 HydrophobicContact CG-CD1 4.3Å; L141-A299 HydrophobicContact CD2-CB 4.04Å; L141-L315 HydrophobicContact CD1-CD2 4.19Å; L141-L315 HydrophobicContact CD2-CD2 4.41Å; L141-L315 HydrophobicContact CD2-CG 4.44Å; L141-L315 HydrophobicContact CG-CD2 4.15Å
142A98.4Very high97.7Very high6 Ų634.5 Ų34.55%0.0520%0.197CC..Hα-helixtrans-60.5-29.3175.500000113.3N138 N139 W140 G144 L145 L297N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 3.07Å; N139-A142 PolarHBondContact O-N 3.12Å; W140-A142 VanDerWaalsContact C-N 3.28Å; W140-A142 PolarHBondContact O-N 3.27Å; A142-G144 PolarHBondContact O-N 3.24Å; A142-L145 WeakPolarHBondContact O-CB 3.34Å; A142-L145 WeakPolarHBondContact O-CG 3.47Å; A142-L145 PolarHBondContact O-N 3.3Å; A142-L297 HydrophobicContact CB-CD2 3.89Å
143K98Very high97.7Very high125 Ų12535.6 Ų35.654%0.54320%0.202SC..Hα-helixtrans-58.2-30.3175.1-59.7176.8-174175.40111.2N139 W140 L141 L145 G146 D349N139-K143 PolarHBondContact O-N 2.81Å; W140-K143 WeakPolarHBondContact O-CB 3.23Å; W140-K143 WeakPolarHBondContact O-CG 3.24Å; W140-K143 PolarHBondContact O-N 2.82Å; L141-K143 PolarHBondContact O-N 3.43Å; K143-L145 PolarHBondContact O-N 3.41Å; K143-G146 PolarHBondContact O-N 2.87Å; K143-D349 IonicContact NZ-OD2 3.05Å; K143-D349 PolarHBondContact NZ-OD2 2.86Å
144G97.8Very high97.7Very high7 Ų739.8 Ų39.87%0.07222%0.221CC..THydrogen-bonded Turntrans-66.2-14.1176.500000114.8L141 A142 R268L141-G144 PolarHBondContact O-N 3.34Å; A142-G144 PolarHBondContact O-N 3.24Å; G144-R268 CarbonylContact O-C 3.36Å; G144-R268 VanDerWaalsContact O-CB 3.26Å; G144-R268 WeakPolarHBondContact O-CB 3.34Å
145L98.4Very high97.7Very high0 Ų040 Ų400%022%0.223CC..THydrogen-bonded Turntrans-84-22179.5-54.1-177.7000113A142 K143 C254 L256 M265 R268 I269 V295 L297 L315A142-L145 WeakPolarHBondContact O-CB 3.34Å; A142-L145 WeakPolarHBondContact O-CG 3.47Å; A142-L145 PolarHBondContact O-N 3.3Å; K143-L145 PolarHBondContact O-N 3.41Å; L145-C254 HydrophobicContact CD1-CB 3.76Å; L145-L256 HydrophobicContact CB-CD2 3.98Å; L145-M265 HydrophobicContact CB-CE 4.2Å; L145-M265 HydrophobicContact CB-SD 4.25Å; L145-M265 HydrophobicContact CD2-CE 4.23Å; L145-M265 HydrophobicContact CD2-SD 3.52Å; L145-M265 VanDerWaalsContact CD2-SD 3.52Å; L145-M265 HydrophobicContact CG-SD 4.49Å; L145-R268 WeakPolarHBondContact O-CD 3.09Å; L145-R268 PolarHBondContact O-NH1 3.17Å; L145-I269 HydrophobicContact CD2-CD1 4.29Å; L145-I269 HydrophobicContact CD2-CG1 4.21Å; L145-V295 HydrophobicContact CD1-CB 3.78Å; L145-V295 HydrophobicContact CD1-CG1 3.84Å; L145-V295 HydrophobicContact CD1-CG2 4.13Å; L145-V295 HydrophobicContact CD2-CG1 4.14Å; L145-L297 HydrophobicContact CD1-CD2 3.61Å; L145-L297 HydrophobicContact CG-CD2 4.39Å; L145-L315 HydrophobicContact CD2-CD2 3.88Å
146G97.3Very high97.6Very high31 Ų3138 Ų3832%0.3222%0.216SC..  trans101.1-164.5-169.400000112.7K143 C148K143-G146 PolarHBondContact O-N 2.87Å; G146-C148 PolarHBondContact O-N 2.66Å
147A97.6Very high97.3Very high69 Ų6943 Ų4357%0.5724%0.237SC*.SBendtrans-66.2122.6-179.500000111.3D257A147-D257 WeakPolarHBondContact CB-OD2 3.39Å; A147-D257 PolarHBondContact O-N 3.29Å
148C97.4Very high96.8Very high35 Ų3543.6 Ų43.624%0.23624%0.242CC..EExtended strand (participates in β ladder)trans-157.8157.3-178.171.40000112.1G146 C254 T255 L256G146-C148 PolarHBondContact O-N 2.66Å; C148-C254 HydrophobicContact CB-CB 4.38Å; C148-T255 VanDerWaalsContact CA-O 3.31Å; C148-T255 WeakPolarHBondContact CA-O 3.39Å; C148-T255 VanDerWaalsContact CB-O 3.32Å; C148-T255 WeakPolarHBondContact CB-O 3.19Å; C148-L256 HydrophobicContact CB-CD2 3.84Å
149T97.4Very high95.9Very high91 Ų9147 Ų4756%0.55827%0.265SS*.EExtended strand (participates in β ladder)trans-85.5141.1161.356.80000109.6C254 T255T149-C254 CarbonylContact O-C 3.46Å; T149-C254 VanDerWaalsContact O-CA 3.25Å; T149-C254 WeakPolarHBondContact O-CA 3.44Å; T149-T255 PolarHBondContact N-O 3.16Å; T149-T255 PolarHBondContact O-N 3.26Å; T149-T255 PolarHBondContact OG1-O 3.23Å
150S96.8Very high95.2Very high42 Ų4250.7 Ų50.729%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-135.4138-174.4-173.40000111.4R252 C254S150-R252 WeakPolarHBondContact OG-CB 3.34Å; S150-R252 WeakPolarHBondContact OG-CD 3.47Å; S150-C254 PolarHBondContact OG-SG 2.83Å; S150-C254 VanDerWaalsContact OG-SG 3.36Å
151R97.4Very high94.4Very high141 Ų14153.7 Ų53.753%0.53230%0.296SS..EExtended strand (participates in β ladder)trans-140.1152.7175.163.4177-178.482.2-8.7110.9R252 L253R151-R252 CarbonylContact O-C 3.59Å; R151-R252 WeakPolarHBondContact O-CA 3.28Å; R151-L253 HydrophobicContact CG-CB 4.31Å; R151-L253 PolarHBondContact N-O 2.94Å; R151-L253 VanDerWaalsContact N-O 3.16Å; R151-L253 PolarHBondContact O-N 2.79Å
152P98.1Very high93.4Very high4 Ų458.3 Ų58.33%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-59.4145174.123-31.7000111.9P155 L246 G251P152-P155 HydrophobicContact CB-CB 4.48Å; P152-P155 HydrophobicContact CB-CG 4.43Å; P152-P155 HydrophobicContact CG-CB 4.02Å; P152-P155 HydrophobicContact CG-CG 4.06Å; P152-L246 WeakPolarHBondContact CD-O 3.37Å; P152-G251 WeakPolarHBondContact CA-O 3.33Å
153I98.2Very high92.6Very high23 Ų2360 Ų6012%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-78.3-45.7172.1-66.1173.9000109.5P155 M250 G251 L253 A296 V305 L306 V309I153-P155 WeakPolarHBondContact O-CD 3.21Å; I153-M250 PolarHBondContact N-O 3.29Å; I153-G251 PolarHBondContact N-O 2.94Å; I153-L253 HydrophobicContact CG1-CB 4.14Å; I153-A296 HydrophobicContact CD1-CB 3.97Å; I153-V305 HydrophobicContact CB-CG1 4.36Å; I153-V305 HydrophobicContact CD1-CG1 4.33Å; I153-V305 HydrophobicContact CG2-CG1 4.44Å; I153-V305 WeakPolarHBondContact CG2-O 3.15Å; I153-L306 HydrophobicContact CD1-CD2 3.68Å; I153-V309 HydrophobicContact CD1-CG2 4.45Å; I153-V309 HydrophobicContact CG2-CG2 3.62Å
154H96.9Very high91.7Very high89 Ų8958.8 Ų58.841%0.41233%0.332SS..EExtended strand (participates in β ladder)trans-115.392.2171.9-59.3-51.8000109.4S156 G249 M250 V305H154-S156 PolarHBondContact O-N 3.38Å; H154-G249 CarbonylContact O-C 3.49Å; H154-G249 WeakPolarHBondContact O-CA 3.25Å; H154-M250 HydrophobicContact CB-CB 4.27Å; H154-M250 PolarHBondContact N-O 3.28Å; H154-M250 PolarHBondContact O-N 3.47Å; H154-V305 PolarHBondContact NE2-O 2.79Å
155P96.3Very high91Very high53 Ų5359.1 Ų59.134%0.34434%0.336SS..EExtended strand (participates in β ladder)trans-63.4134.6-178.3-18.830.3000112P152 I153 L244 T248P152-P155 HydrophobicContact CB-CB 4.48Å; P152-P155 HydrophobicContact CB-CG 4.43Å; P152-P155 HydrophobicContact CG-CB 4.02Å; P152-P155 HydrophobicContact CG-CG 4.06Å; I153-P155 WeakPolarHBondContact O-CD 3.21Å; P155-L244 HydrophobicContact CB-CB 4.24Å; P155-L244 HydrophobicContact CB-CD1 4.22Å; P155-L244 HydrophobicContact CB-CD2 4.2Å; P155-L244 HydrophobicContact CB-CG 4.45Å; P155-L244 HydrophobicContact CG-CD1 4.29Å; P155-T248 WeakPolarHBondContact CA-O 3.34Å
156S94.7Very high90.6Very high19 Ų1961 Ų6113%0.13335%0.346CS..EExtended strand (participates in β ladder)trans-68.8150.8171.2-60.50000110.4H154 L245 T248 G249H154-S156 PolarHBondContact O-N 3.38Å; S156-L245 PolarHBondContact O-N 3.36Å; S156-T248 PolarHBondContact N-O 2.68Å; S156-G249 WeakPolarHBondContact OG-CA 3.31Å; S156-G249 PolarHBondContact OG-N 2.89Å
157K90.8Very high90.4Very high105 Ų10560.3 Ų60.346%0.45733%0.334SS..EExtended strand (participates in β ladder)trans-89.7149.2171.7-68.9-173.7-178.5-162.60110E241 K242 P243 L244K157-E241 IonicContact NZ-OE2 3.09Å; K157-E241 PolarHBondContact NZ-OE2 2.91Å; K157-K242 HydrophobicContact CB-CB 3.83Å; K157-K242 HydrophobicContact CD-CB 4.25Å; K157-K242 HydrophobicContact CG-CB 4.4Å; K157-P243 CarbonylContact C-O 3.57Å; K157-P243 WeakPolarHBondContact CA-O 3.33Å; K157-L244 HydrophobicContact CG-CD2 3.91Å
158A87.1Confident90.2Very high14 Ų1460.7 Ų60.712%0.11632%0.321CS..PPolyproline II helixtrans-58149.1172.600000110.8N160 K242 P243 L245A158-N160 PolarHBondContact O-N 2.71Å; A158-K242 VanDerWaalsContact O-CD 3.24Å; A158-K242 WeakPolarHBondContact O-CD 3.34Å; A158-P243 HydrophobicContact CB-CG 3.75Å; A158-P243 PolarHBondContact N-O 3.47Å; A158-L245 HydrophobicContact CB-CD2 4.11Å
159P80.9Confident90Very high72 Ų7259 Ų5947%0.46831%0.31SS..SBendtrans-63.3-31.5-17824.3-33.6000112.3K242P159-K242 VanDerWaalsContact O-CE 3.22Å; P159-K242 WeakPolarHBondContact O-CE 3.33Å; P159-K242 PolarHBondContact O-NZ 3.16Å
160N82.1Confident89.8Confident122 Ų12255.8 Ų55.865%0.65229%0.288SS*.SBendtrans-120.5156.9-176.4-61.6-31.6000111.8A158A158-N160 PolarHBondContact O-N 2.71Å
161Y82.1Confident89.5Confident77 Ų7753.9 Ų53.930%0.30228%0.275SS..  trans-72.1155169.1-67.8-86.3000110.2T163 G165 N166 L240 K242Y161-T163 WeakPolarHBondContact CB-O 3.46Å; Y161-T163 PolarHBondContact O-N 3.14Å; Y161-G165 WeakPolarHBondContact CB-O 3.38Å; Y161-N166 HydrophobicContact CD1-CB 4.49Å; Y161-N166 HydrophobicContact CD2-CB 4.13Å; Y161-N166 HydrophobicContact CE1-CB 3.93Å; Y161-N166 HydrophobicContact CE2-CB 3.52Å; Y161-L240 HydrophobicContact CD1-CB 4.08Å; Y161-L240 HydrophobicContact CE1-CB 4.35Å; Y161-L240 VanDerWaalsContact CE1-O 3.22Å; Y161-L240 WeakPolarHBondContact CE1-O 3.49Å; Y161-K242 HydrophobicContact CD1-CG 3.83Å; Y161-K242 HydrophobicContact CD2-CG 4.23Å; Y161-K242 HydrophobicContact CE1-CG 3.7Å; Y161-K242 HydrophobicContact CE2-CD 4.37Å; Y161-K242 HydrophobicContact CE2-CG 4.11Å; Y161-K242 HydrophobicContact CG-CG 4.09Å
162P78.4Confident89.1Confident99 Ų9947.9 Ų47.964%0.64325%0.253SS*.SBendtrans-64.4-19.5175.5-20.133.5000113.3P243P162-P243 HydrophobicContact CG-CG 4.11Å
163T80.9Confident88.6Confident41 Ų4147.8 Ų47.825%0.25225%0.252SS..SBendtrans-125.4168.6-179.958.10000110Y161 G165 L240Y161-T163 WeakPolarHBondContact CB-O 3.46Å; Y161-T163 PolarHBondContact O-N 3.14Å; T163-G165 PolarHBondContact O-N 2.84Å; T163-L240 WeakPolarHBondContact OG1-CD1 3.32Å
164E78.4Confident87.5Confident100 Ų10048.1 Ų48.147%0.46726%0.257SS..SBendtrans-64.8122.7170.7-167.7171.6-173.700110.3N212 C213E164-N212 CarbonylContact O-C 3.59Å; E164-N212 WeakPolarHBondContact O-CB 3.4Å; E164-C213 PolarHBondContact O-N 3.13Å
165G84.3Confident86.4Confident15 Ų1550.4 Ų50.416%0.15527%0.268CS..SBendtrans81.7179.518000000115.7Y161 T163 C213Y161-G165 WeakPolarHBondContact CB-O 3.38Å; T163-G165 PolarHBondContact O-N 2.84Å; G165-C213 CarbonylContact C-O 3.56Å; G165-C213 WeakPolarHBondContact CA-O 3.2Å
166N90.2Very high85.1Confident40 Ų4053.2 Ų53.221%0.21428%0.284CS..SBendtrans-115.47.5-172.364.9-25.7000113.2Y161 C213 Q215 L240Y161-N166 HydrophobicContact CD1-CB 4.49Å; Y161-N166 HydrophobicContact CD2-CB 4.13Å; Y161-N166 HydrophobicContact CE1-CB 3.93Å; Y161-N166 HydrophobicContact CE2-CB 3.52Å; N166-C213 PolarHBondContact N-O 3.39Å; N166-Q215 PolarHBondContact OD1-N 3.31Å; N166-Q215 VanDerWaalsContact OD1-N 3.09Å; N166-L240 PolarHBondContact O-N 3Å
167H93.2Very high84Confident15 Ų1560.9 Ų60.97%0.06932%0.317CS..EExtended strand (participates in β ladder)trans-132.7150.7177.9-68.584.4000110.6N212 C213 Q215 L218 L238 S239H167-N212 CarbonylContact O-C 3.59Å; H167-N212 WeakPolarHBondContact O-CA 3.05Å; H167-C213 PolarHBondContact N-O 3.1Å; H167-C213 PolarHBondContact O-N 2.83Å; H167-Q215 PolarHBondContact CE1-OE1 3.13Å; H167-Q215 PolarHBondContact ND1-OE1 3.37Å; H167-Q215 PolarHBondContact NE2-OE1 2.63Å; H167-L218 HydrophobicContact CB-CD1 4.42Å; H167-L218 HydrophobicContact CB-CD2 4.19Å; H167-L238 CarbonylContact C-O 3.4Å; H167-L238 VanDerWaalsContact CA-O 3.31Å; H167-L238 WeakPolarHBondContact CA-O 3.31Å; H167-S239 PolarHBondContact NE2-OG 3.35Å
168R93.5Very high83.3Confident78 Ų7856.4 Ų56.429%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-122.8127.8168.1-177.3175.9-63179.35.2109.4E170 S210 L211 N212 I237 L238 L240R168-E170 WeakPolarHBondContact CD-OE1 3.38Å; R168-E170 HydrophobicContact CG-CG 3.8Å; R168-S210 WeakPolarHBondContact CD-OG 3.37Å; R168-L211 CarbonylContact C-O 3.55Å; R168-L211 WeakPolarHBondContact CA-O 3.29Å; R168-N212 PolarHBondContact NE-OD1 3.29Å; R168-N212 PolarHBondContact NH2-OD1 3.23Å; R168-I237 WeakPolarHBondContact O-CA 3.09Å; R168-L238 HydrophobicContact CB-CB 4.38Å; R168-L238 PolarHBondContact N-O 2.76Å; R168-L238 PolarHBondContact O-N 2.91Å; R168-L240 HydrophobicContact CB-CD1 4.38Å; R168-L240 HydrophobicContact CB-CD2 3.95Å; R168-L240 HydrophobicContact CB-CG 4.26Å
169V93.2Very high83Confident0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-110.9128172.4-1720000108.4F171 L211 L218 V221 L225 T235 E236 I237V169-F171 HydrophobicContact CG1-CD1 4.32Å; V169-L211 HydrophobicContact CB-CD1 3.68Å; V169-L211 HydrophobicContact CB-CD2 3.93Å; V169-L211 HydrophobicContact CB-CG 3.68Å; V169-L211 HydrophobicContact CG1-CD2 4.41Å; V169-L211 HydrophobicContact CG2-CD1 3.77Å; V169-L211 HydrophobicContact CG2-CG 4.34Å; V169-L211 PolarHBondContact N-O 2.83Å; V169-L211 WeakPolarHBondContact O-CG 3.45Å; V169-L211 PolarHBondContact O-N 3.27Å; V169-L218 HydrophobicContact CG2-CD1 3.38Å; V169-V221 HydrophobicContact CB-CG1 4.45Å; V169-V221 HydrophobicContact CG1-CG1 4.39Å; V169-V221 HydrophobicContact CG2-CG1 4.29Å; V169-L225 HydrophobicContact CG1-CD1 3.84Å; V169-T235 HydrophobicContact CG1-CG2 3.59Å; V169-E236 CarbonylContact C-O 3.53Å; V169-E236 WeakPolarHBondContact CA-O 3.39Å; V169-I237 HydrophobicContact CG1-CG1 4.15Å; V169-I237 HydrophobicContact CG2-CG1 4.23Å; V169-I237 HydrophobicContact CG2-CG2 4.42Å
170E93Very high83.1Confident23 Ų2358.9 Ų58.911%0.10731%0.307CS..EExtended strand (participates in β ladder)trans-124.1130.5-179.1-54.7-163131.500110.3R168 R208 I209 S210 T235 E236R168-E170 WeakPolarHBondContact CD-OE1 3.38Å; R168-E170 HydrophobicContact CG-CG 3.8Å; E170-R208 IonicContact OE2-CZ 3.55Å; E170-R208 IonicContact OE2-NE 3.72Å; E170-R208 IonicContact OE2-NH2 2.64Å; E170-R208 PolarHBondContact OE2-NH2 3.09Å; E170-I209 VanDerWaalsContact CA-O 3.27Å; E170-I209 WeakPolarHBondContact CA-O 3.24Å; E170-S210 WeakPolarHBondContact OE1-CB 3.4Å; E170-S210 PolarHBondContact OE1-OG 3.3Å; E170-T235 CarbonylContact O-C 3.54Å; E170-T235 WeakPolarHBondContact O-CA 3.39Å; E170-E236 PolarHBondContact N-O 3.25Å; E170-E236 PolarHBondContact O-N 3.39Å
171F90.8Very high83.2Confident2 Ų258.5 Ų58.51%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-152.7158.2176.462.8-88000112.6V169 V173 V182 I209 L211 L225 Y232 K234V169-F171 HydrophobicContact CG1-CD1 4.32Å; F171-V173 HydrophobicContact CD2-CG2 3.91Å; F171-V173 HydrophobicContact CE2-CG2 3.68Å; F171-V182 HydrophobicContact CE2-CG1 3.64Å; F171-V182 HydrophobicContact CZ-CG1 3.5Å; F171-V182 VanDerWaalsContact CZ-CG1 3.5Å; F171-I209 HydrophobicContact CD1-CB 4.5Å; F171-I209 HydrophobicContact CD2-CB 4.44Å; F171-I209 HydrophobicContact CE1-CB 4.14Å; F171-I209 HydrophobicContact CE1-CG2 3.98Å; F171-I209 HydrophobicContact CE2-CB 4.1Å; F171-I209 HydrophobicContact CE2-CD1 3.66Å; F171-I209 HydrophobicContact CE2-CG1 4.28Å; F171-I209 HydrophobicContact CZ-CB 3.92Å; F171-I209 HydrophobicContact CZ-CD1 3.83Å; F171-I209 HydrophobicContact CZ-CG1 4.43Å; F171-I209 HydrophobicContact CZ-CG2 3.86Å; F171-I209 PolarHBondContact N-O 3.18Å; F171-I209 PolarHBondContact O-N 3.09Å; F171-L211 HydrophobicContact CD1-CD2 4.35Å; F171-L211 HydrophobicContact CE1-CD2 3.6Å; F171-L225 HydrophobicContact CD1-CD1 4.15Å; F171-L225 HydrophobicContact CD1-CD2 4.05Å; F171-L225 HydrophobicContact CD2-CD2 4.29Å; F171-L225 HydrophobicContact CE1-CD1 4.29Å; F171-L225 HydrophobicContact CE1-CD2 3.83Å; F171-L225 HydrophobicContact CE2-CD2 4.05Å; F171-L225 HydrophobicContact CG-CD2 4.27Å; F171-L225 HydrophobicContact CZ-CD2 3.84Å; F171-Y232 HydrophobicContact CB-CD2 4.36Å; F171-Y232 HydrophobicContact CD2-CG 4.1Å; F171-K234 WeakPolarHBondContact CA-O 3.03Å; F171-K234 WeakPolarHBondContact CB-O 3.32Å
172N88.4Confident83.4Confident15 Ų1554.9 Ų54.98%0.0829%0.286CS..EExtended strand (participates in β ladder)trans-106136.6-177.5-59.2-27.4000111.3I201 T207 R208 Y232 Q233N172-I201 WeakPolarHBondContact ND2-CD1 3.45Å; N172-T207 WeakPolarHBondContact CA-O 3.49Å; N172-R208 WeakPolarHBondContact OD1-CB 3.2Å; N172-R208 WeakPolarHBondContact OD1-CG 3.08Å; N172-Y232 WeakPolarHBondContact O-CA 3.39Å; N172-Y232 VanDerWaalsContact O-CB 3.23Å; N172-Y232 WeakPolarHBondContact O-CB 3.31Å; N172-Q233 PolarHBondContact O-N 3.29Å
173V86.8Confident83.7Confident1 Ų151.5 Ų51.51%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-118.1124.1176-179.30000109F171 A178 L179 T207 I209F171-V173 HydrophobicContact CD2-CG2 3.91Å; F171-V173 HydrophobicContact CE2-CG2 3.68Å; V173-A178 HydrophobicContact CG1-CB 3.85Å; V173-L179 HydrophobicContact CG1-CB 4.24Å; V173-T207 PolarHBondContact N-O 2.58Å; V173-T207 PolarHBondContact O-N 2.92Å; V173-I209 HydrophobicContact CG2-CD1 3.62Å; V173-I209 HydrophobicContact CG2-CG1 4.28Å
174S74.7Confident84Confident31 Ų3153.9 Ų53.922%0.21728%0.28CS..  trans-93.1-9.4-172.7-45.20000114.3Q206 Q233S174-Q206 PolarHBondContact OG-NE2 2.76Å; S174-Q233 PolarHBondContact OG-NE2 2.69Å
175H73.8Confident84.4Confident137 Ų13750.8 Ų50.863%0.63427%0.272SS*.  trans-132.3134.2-175.4-62.3-54000113Q177 A178 L179H175-Q177 PolarHBondContact O-N 2.84Å; H175-A178 HydrophobicContact CB-CB 4.17Å; H175-A178 WeakPolarHBondContact O-CB 3.35Å; H175-A178 PolarHBondContact O-N 2.64Å; H175-L179 PolarHBondContact O-N 2.91Å
176T70.1Confident84.5Confident112 Ų11250.1 Ų50.169%0.68727%0.265SS*.Hα-helixtrans-61.2-38.1-176.8-360000113.3A178 L179 D180T176-A178 VanDerWaalsContact C-N 3.31Å; T176-A178 PolarHBondContact O-N 3.42Å; T176-L179 WeakPolarHBondContact O-CB 3.37Å; T176-L179 PolarHBondContact O-N 3.25Å; T176-D180 PolarHBondContact O-N 3.04Å
177Q70.6Confident84.3Confident179 Ų17955.1 Ų55.184%0.83629%0.285SS*.Hα-helixtrans-68.3-30.4175.6-70.8177.4-6.900112.8H175H175-Q177 PolarHBondContact O-N 2.84Å
178A76.7Confident84Confident12 Ų1257.4 Ų57.410%0.09931%0.312CS..Hα-helixtrans-73.3-33.2173.700000111.2V173 H175 T176 K181 V182 L231V173-A178 HydrophobicContact CG1-CB 3.85Å; H175-A178 HydrophobicContact CB-CB 4.17Å; H175-A178 WeakPolarHBondContact O-CB 3.35Å; H175-A178 PolarHBondContact O-N 2.64Å; T176-A178 VanDerWaalsContact C-N 3.31Å; T176-A178 PolarHBondContact O-N 3.42Å; A178-K181 PolarHBondContact O-N 2.73Å; A178-V182 WeakPolarHBondContact O-CB 3.42Å; A178-V182 VanDerWaalsContact O-CG2 3.24Å; A178-V182 WeakPolarHBondContact O-CG2 3.3Å; A178-V182 PolarHBondContact O-N 3.17Å; A178-L231 HydrophobicContact CB-CB 4.39Å; A178-L231 HydrophobicContact CB-CD2 3.94Å
179L81.7Confident83.7Confident26 Ų2654.7 Ų54.714%0.13630%0.303CS..Hα-helixtrans-60.3-48.6178.1-179.162.6000111.9V173 H175 T176 K181 V182 M183 T207 I209V173-L179 HydrophobicContact CG1-CB 4.24Å; H175-L179 PolarHBondContact O-N 2.91Å; T176-L179 WeakPolarHBondContact O-CB 3.37Å; T176-L179 PolarHBondContact O-N 3.25Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 3.09Å; L179-V182 PolarHBondContact O-N 3.13Å; L179-M183 HydrophobicContact CD1-CG 3.8Å; L179-M183 HydrophobicContact CD1-SD 4.42Å; L179-M183 HydrophobicContact CG-CG 4.16Å; L179-M183 WeakPolarHBondContact O-CB 3.44Å; L179-M183 VanDerWaalsContact O-CG 3.22Å; L179-M183 WeakPolarHBondContact O-CG 3.36Å; L179-M183 PolarHBondContact O-N 3.01Å; L179-T207 HydrophobicContact CD1-CG2 3.8Å; L179-T207 HydrophobicContact CD2-CG2 4.03Å; L179-I209 HydrophobicContact CD1-CD1 3.64Å; L179-I209 HydrophobicContact CD1-CG1 4.13Å
180D83.1Confident83.5Confident111 Ų11160.8 Ų60.859%0.59434%0.336SS*.Hα-helixtrans-62.1-41.7-179.3-70.5-29000112.4T176 M183 S184T176-D180 PolarHBondContact O-N 3.04Å; D180-M183 PolarHBondContact O-N 3.35Å; D180-S184 VanDerWaalsContact O-CB 3.28Å; D180-S184 WeakPolarHBondContact O-CB 3.46Å; D180-S184 PolarHBondContact O-N 3.35Å
181K84Confident83.2Confident115 Ų11563.2 Ų63.250%0.535%0.349SS..Hα-helixtrans-62.7-45176.9-174.7-179.4177.2-168.70111.4A178 L179 A185 L231A178-K181 PolarHBondContact O-N 2.73Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 3.09Å; K181-A185 WeakPolarHBondContact O-CB 3.34Å; K181-A185 PolarHBondContact O-N 3.46Å; K181-A185 VanDerWaalsContact O-N 3.12Å; K181-L231 HydrophobicContact CD-CD1 4.01Å
182V85Confident83.1Confident0 Ų064.1 Ų64.10%036%0.355CS..Hα-helixtrans-65.5-47.6177.81690000110.9F171 A178 L179 S184 A185 V186 I209 F224 L231F171-V182 HydrophobicContact CE2-CG1 3.64Å; F171-V182 HydrophobicContact CZ-CG1 3.5Å; F171-V182 VanDerWaalsContact CZ-CG1 3.5Å; A178-V182 WeakPolarHBondContact O-CB 3.42Å; A178-V182 VanDerWaalsContact O-CG2 3.24Å; A178-V182 WeakPolarHBondContact O-CG2 3.3Å; A178-V182 PolarHBondContact O-N 3.17Å; L179-V182 PolarHBondContact O-N 3.13Å; V182-S184 VanDerWaalsContact C-N 3.33Å; V182-S184 PolarHBondContact O-N 3.41Å; V182-A185 PolarHBondContact O-N 2.81Å; V182-V186 HydrophobicContact CG1-CG2 4.16Å; V182-V186 WeakPolarHBondContact O-CB 3.48Å; V182-V186 VanDerWaalsContact O-CG2 3.3Å; V182-V186 WeakPolarHBondContact O-CG2 3.49Å; V182-V186 PolarHBondContact O-N 3.01Å; V182-I209 HydrophobicContact CB-CD1 4.39Å; V182-I209 HydrophobicContact CG1-CD1 3.56Å; V182-F224 HydrophobicContact CG1-CE1 4.36Å; V182-F224 HydrophobicContact CG2-CE1 4.33Å; V182-F224 HydrophobicContact CG2-CZ 4.31Å; V182-L231 HydrophobicContact CG2-CB 4.15Å; V182-L231 HydrophobicContact CG2-CD1 4.03Å
183M85.4Confident83.1Confident29 Ų2965 Ų6514%0.14336%0.362CS..Hα-helixtrans-63.3-39.3-178.8-71.3-62.1-74.400111.8L179 D180 K187 V194 I209L179-M183 HydrophobicContact CD1-CG 3.8Å; L179-M183 HydrophobicContact CD1-SD 4.42Å; L179-M183 HydrophobicContact CG-CG 4.16Å; L179-M183 WeakPolarHBondContact O-CB 3.44Å; L179-M183 VanDerWaalsContact O-CG 3.22Å; L179-M183 WeakPolarHBondContact O-CG 3.36Å; L179-M183 PolarHBondContact O-N 3.01Å; D180-M183 PolarHBondContact O-N 3.35Å; M183-K187 VanDerWaalsContact O-CB 3.22Å; M183-K187 WeakPolarHBondContact O-CB 3.5Å; M183-K187 WeakPolarHBondContact O-CG 3.48Å; M183-K187 PolarHBondContact O-N 2.62Å; M183-V194 HydrophobicContact CE-CB 4.45Å; M183-V194 HydrophobicContact CE-CG1 3.74Å; M183-V194 HydrophobicContact SD-CG1 3.76Å; M183-I209 HydrophobicContact SD-CD1 4.12Å; M183-I209 HydrophobicContact SD-CG2 4.49Å
184S87.4Confident83.2Confident91 Ų9166.5 Ų66.564%0.63637%0.371SS*.Hα-helixtrans-64.1-45.7175.3-175.10000111.9D180 V182 G188D180-S184 VanDerWaalsContact O-CB 3.28Å; D180-S184 WeakPolarHBondContact O-CB 3.46Å; D180-S184 PolarHBondContact O-N 3.35Å; V182-S184 VanDerWaalsContact C-N 3.33Å; V182-S184 PolarHBondContact O-N 3.41Å; S184-G188 PolarHBondContact O-N 2.89Å
185A85.8Confident83.8Confident35 Ų3568.6 Ų68.629%0.28938%0.383SS..Hα-helixtrans-66.3-45.5179.900000112.6K181 V182 G188 F224K181-A185 WeakPolarHBondContact O-CB 3.34Å; K181-A185 PolarHBondContact O-N 3.46Å; K181-A185 VanDerWaalsContact O-N 3.12Å; V182-A185 PolarHBondContact O-N 2.81Å; A185-G188 PolarHBondContact O-N 3.49Å; A185-F224 HydrophobicContact CB-CD2 3.85Å; A185-F224 HydrophobicContact CB-CE1 4.25Å; A185-F224 HydrophobicContact CB-CE2 3.28Å; A185-F224 HydrophobicContact CB-CZ 3.52Å
186V86.2Confident84.5Confident1 Ų165.1 Ų65.11%0.00637%0.374CS..Hα-helixtrans-70.8-37.4-178178.60000111.4V182 G188 I189 V192 V194 L211 F224V182-V186 HydrophobicContact CG1-CG2 4.16Å; V182-V186 WeakPolarHBondContact O-CB 3.48Å; V182-V186 VanDerWaalsContact O-CG2 3.3Å; V182-V186 WeakPolarHBondContact O-CG2 3.49Å; V182-V186 PolarHBondContact O-N 3.01Å; V186-G188 PolarHBondContact O-N 3.2Å; V186-I189 WeakPolarHBondContact O-CB 3.28Å; V186-I189 PolarHBondContact O-N 2.8Å; V186-V192 HydrophobicContact CG1-CG1 3.78Å; V186-V194 HydrophobicContact CB-CG2 4.37Å; V186-V194 HydrophobicContact CG1-CG2 3.47Å; V186-V194 VanDerWaalsContact CG1-CG2 3.47Å; V186-L211 HydrophobicContact CG1-CB 4.46Å; V186-L211 HydrophobicContact CG1-CD2 4.07Å; V186-F224 HydrophobicContact CG2-CD1 4.3Å; V186-F224 HydrophobicContact CG2-CE1 4.23Å
187K86.9Confident85.3Confident145 Ų14564.1 Ų64.163%0.6336%0.36SS*.Hα-helixtrans-67.8-19.3174.2-74.7179178.9-176.80113.6M183 I189M183-K187 VanDerWaalsContact O-CB 3.22Å; M183-K187 WeakPolarHBondContact O-CB 3.5Å; M183-K187 WeakPolarHBondContact O-CG 3.48Å; M183-K187 PolarHBondContact O-N 2.62Å; K187-I189 VanDerWaalsContact C-N 3.25Å
188G86.9Confident85.9Confident63 Ų6360.1 Ų60.165%0.64935%0.352SS*.THydrogen-bonded Turntrans-80.4-3.2174.300000114.1S184 A185 V186S184-G188 PolarHBondContact O-N 2.89Å; A185-G188 PolarHBondContact O-N 3.49Å; V186-G188 PolarHBondContact O-N 3.2Å
189I87.9Confident85.9Confident20 Ų2060.6 Ų60.610%0.10336%0.357CS..SBendtrans-93122.3176.8-61.9173.3000108.3V186 K187 V192 A217 Q220 V221V186-I189 WeakPolarHBondContact O-CB 3.28Å; V186-I189 PolarHBondContact O-N 2.8Å; K187-I189 VanDerWaalsContact C-N 3.25Å; I189-V192 HydrophobicContact CB-CG2 3.81Å; I189-V192 HydrophobicContact CG2-CG2 3.44Å; I189-V192 VanDerWaalsContact CG2-CG2 3.44Å; I189-A217 HydrophobicContact CG2-CB 4Å; I189-Q220 HydrophobicContact CD1-CB 4.18Å; I189-Q220 HydrophobicContact CG2-CB 4.17Å; I189-V221 HydrophobicContact CD1-CG2 3.72Å
190D87.4Confident85.5Confident128 Ų12869.2 Ų69.268%0.68439%0.387SS*.THydrogen-bonded Turntrans-60.8151174.7-64.2-36.2000111.4V192 A217D190-V192 VanDerWaalsContact C-N 3.3Å; D190-V192 PolarHBondContact O-N 2.95Å; D190-A217 WeakPolarHBondContact O-CB 3.45Å
191D87Confident84.9Confident74 Ų7466.7 Ų66.740%0.39637%0.373SS..THydrogen-bonded Turntrans60.133.2-179.3-47.7-43.6000114.5C213 T214 A217D191-C213 WeakPolarHBondContact O-CA 3.14Å; D191-T214 HydrophobicContact CB-CG2 3.68Å; D191-T214 PolarHBondContact O-N 3.09Å; D191-A217 HydrophobicContact CB-CB 4.37Å
192V88.3Confident84.1Confident21 Ų2168.6 Ų68.613%0.12739%0.389CS..EExtended strand (participates in β ladder)trans-121.6124.5174.7-1770000110.9V186 I189 D190 V194 L211 N212 C213 A217 V221V186-V192 HydrophobicContact CG1-CG1 3.78Å; I189-V192 HydrophobicContact CB-CG2 3.81Å; I189-V192 HydrophobicContact CG2-CG2 3.44Å; I189-V192 VanDerWaalsContact CG2-CG2 3.44Å; D190-V192 VanDerWaalsContact C-N 3.3Å; D190-V192 PolarHBondContact O-N 2.95Å; V192-V194 HydrophobicContact CG1-CG2 3.72Å; V192-L211 HydrophobicContact CG1-CB 3.97Å; V192-L211 HydrophobicContact CG1-CD1 4.18Å; V192-N212 WeakPolarHBondContact CA-O 2.96Å; V192-C213 HydrophobicContact CB-CB 4.48Å; V192-C213 HydrophobicContact CG2-CB 3.81Å; V192-A217 HydrophobicContact CG2-CB 3.76Å; V192-V221 HydrophobicContact CG2-CG2 4.22Å
193S89Confident83.3Confident34 Ų3476.5 Ų76.524%0.23843%0.431CS..EExtended strand (participates in β ladder)trans-102.5129165.961.70000109.6L211 N212S193-L211 CarbonylContact O-C 3.58Å; S193-L211 WeakPolarHBondContact O-CA 3.33Å; S193-N212 PolarHBondContact N-O 3.23Å; S193-N212 PolarHBondContact O-N 2.81Å; S193-N212 WeakPolarHBondContact OG-CB 3.23Å; S193-N212 PolarHBondContact OG-O 3.24Å
194V90Very high82.7Confident32 Ų3280.7 Ų80.719%0.19445%0.45CS..EExtended strand (participates in β ladder)trans-117.8133-176.3-1710000110.8M183 V186 V192 I209 L211M183-V194 HydrophobicContact CE-CB 4.45Å; M183-V194 HydrophobicContact CE-CG1 3.74Å; M183-V194 HydrophobicContact SD-CG1 3.76Å; V186-V194 HydrophobicContact CB-CG2 4.37Å; V186-V194 HydrophobicContact CG1-CG2 3.47Å; V186-V194 VanDerWaalsContact CG1-CG2 3.47Å; V192-V194 HydrophobicContact CG1-CG2 3.72Å; V194-I209 HydrophobicContact CG1-CG2 3.83Å; V194-L211 HydrophobicContact CG2-CB 4.24Å
195T87.6Confident82.3Confident75 Ų7583 Ų8346%0.4645%0.451SS..EExtended strand (participates in β ladder)trans-125.8146.7168.857.80000109.5S210T195-S210 PolarHBondContact N-O 3.4Å; T195-S210 PolarHBondContact O-N 2.9Å; T195-S210 VanDerWaalsContact O-O 3.07Å; T195-S210 PolarHBondContact OG1-O 3.32Å
196S87.9Confident82.3Confident64 Ų6481.7 Ų81.745%0.44844%0.439SS..EExtended strand (participates in β ladder)trans-133.1148175.960.30000110.7R208S196-R208 VanDerWaalsContact CA-O 3.31Å; S196-R208 WeakPolarHBondContact CA-O 3.34Å
197F86Confident82.3Confident91 Ų9183 Ų8340%0.39945%0.447SS..EExtended strand (participates in β ladder)trans-146.9142.7179.444.4-84.9000110.7R208F197-R208 HydrophobicContact CD2-CB 3.81Å; F197-R208 HydrophobicContact CD2-CG 4.3Å; F197-R208 HydrophobicContact CE1-CB 4.47Å; F197-R208 HydrophobicContact CE1-CG 4.17Å; F197-R208 HydrophobicContact CE2-CB 3.51Å; F197-R208 HydrophobicContact CE2-CG 3.51Å; F197-R208 HydrophobicContact CG-CB 4.45Å; F197-R208 HydrophobicContact CZ-CB 3.87Å; F197-R208 HydrophobicContact CZ-CG 3.41Å; F197-R208 VanDerWaalsContact CZ-CG 3.41Å; F197-R208 PolarHBondContact N-O 3.09Å; F197-R208 PolarHBondContact O-N 3.05Å
198S83.7Confident82.4Confident95 Ų9579.6 Ų79.666%0.66443%0.43SS*.EExtended strand (participates in β ladder)trans-68.7131.9174.6-56.70000109.9
199A76Confident82.5Confident23 Ų2376.6 Ų76.619%0.1940%0.399CS..EExtended strand (participates in β ladder)trans-131.8144.9177.400000109.6Q206 R208A199-Q206 PolarHBondContact N-O 3.5Å; A199-Q206 PolarHBondContact O-N 3.33Å; A199-R208 HydrophobicContact CB-CB 4.36Å
200R74.8Confident82.8Confident207 Ų20775.9 Ų75.978%0.78140%0.396SS*.EExtended strand (participates in β ladder)trans-106.5120.5169.3-73.9-174.8-179.8177.6-0108.9E204R200-E204 WeakPolarHBondContact CA-O 3.45Å
201I69.1Low83Confident57 Ų5769.8 Ų69.829%0.29236%0.363SS..EExtended strand (participates in β ladder)trans-126.1127.1175.5-59.4177.9000105.9N172 N203 E204N172-I201 WeakPolarHBondContact ND2-CD1 3.45Å; I201-N203 VanDerWaalsContact C-N 3.26Å; I201-N203 PolarHBondContact O-N 3.15Å; I201-N203 VanDerWaalsContact O-N 3.17Å; I201-E204 PolarHBondContact N-O 2.92Å; I201-E204 VanDerWaalsContact N-O 3.15Å; I201-E204 PolarHBondContact O-N 3.27Å
202D67.6Low83.3Confident156 Ų15666.8 Ų66.883%0.83435%0.347SS*.THydrogen-bonded Turntrans51.240.4179.1-56.6-31.3000114.5E204D202-E204 PolarHBondContact O-N 3.13Å
203N68.9Low83.5Confident165 Ų16565.8 Ų65.888%0.88234%0.341SS*.THydrogen-bonded Turntrans656.8-176.2-83.2-7.9000116.5I201I201-N203 VanDerWaalsContact C-N 3.26Å; I201-N203 PolarHBondContact O-N 3.15Å; I201-N203 VanDerWaalsContact O-N 3.17Å
204E72.9Confident83.6Confident118 Ų11866 Ų6655%0.55134%0.341SS*.EExtended strand (participates in β ladder)trans-98.6139.4170.6-65.5-172164.300111.1R200 I201 D202 Q206R200-E204 WeakPolarHBondContact CA-O 3.45Å; I201-E204 PolarHBondContact N-O 2.92Å; I201-E204 VanDerWaalsContact N-O 3.15Å; I201-E204 PolarHBondContact O-N 3.27Å; D202-E204 PolarHBondContact O-N 3.13Å; E204-Q206 PolarHBondContact O-N 3.5Å
205E78.9Confident83.6Confident140 Ų14069.2 Ų69.265%0.65435%0.354SS*.EExtended strand (participates in β ladder)trans-78.2118.3172.6-169.7171.5-167.400109.2
206Q84.4Confident83.8Confident6 Ų672 Ų723%0.02836%0.36CS..EExtended strand (participates in β ladder)trans-124153.8177.6-60.5-169.2-8.700109.5S174 A199 E204 Q233S174-Q206 PolarHBondContact OG-NE2 2.76Å; A199-Q206 PolarHBondContact N-O 3.5Å; A199-Q206 PolarHBondContact O-N 3.33Å; E204-Q206 PolarHBondContact O-N 3.5Å; Q206-Q233 VanDerWaalsContact NE2-OE1 3.09Å
207T86.9Confident84Confident30 Ų3069 Ų6918%0.18434%0.339CS..EExtended strand (participates in β ladder)trans-100.1118.8170-58.50000108.8N172 V173 L179 I209N172-T207 WeakPolarHBondContact CA-O 3.49Å; V173-T207 PolarHBondContact N-O 2.58Å; V173-T207 PolarHBondContact O-N 2.92Å; L179-T207 HydrophobicContact CD1-CG2 3.8Å; L179-T207 HydrophobicContact CD2-CG2 4.03Å; T207-I209 HydrophobicContact CG2-CG1 4.46Å
208R88.3Confident84.4Confident73 Ų7365.4 Ų65.428%0.27532%0.324SS..EExtended strand (participates in β ladder)trans-85.1127.4169.7-177.3158168167.29108.8E170 N172 S196 F197 A199E170-R208 IonicContact OE2-CZ 3.55Å; E170-R208 IonicContact OE2-NE 3.72Å; E170-R208 IonicContact OE2-NH2 2.64Å; E170-R208 PolarHBondContact OE2-NH2 3.09Å; N172-R208 WeakPolarHBondContact OD1-CB 3.2Å; N172-R208 WeakPolarHBondContact OD1-CG 3.08Å; S196-R208 VanDerWaalsContact CA-O 3.31Å; S196-R208 WeakPolarHBondContact CA-O 3.34Å; F197-R208 HydrophobicContact CD2-CB 3.81Å; F197-R208 HydrophobicContact CD2-CG 4.3Å; F197-R208 HydrophobicContact CE1-CB 4.47Å; F197-R208 HydrophobicContact CE1-CG 4.17Å; F197-R208 HydrophobicContact CE2-CB 3.51Å; F197-R208 HydrophobicContact CE2-CG 3.51Å; F197-R208 HydrophobicContact CG-CB 4.45Å; F197-R208 HydrophobicContact CZ-CB 3.87Å; F197-R208 HydrophobicContact CZ-CG 3.41Å; F197-R208 VanDerWaalsContact CZ-CG 3.41Å; F197-R208 PolarHBondContact N-O 3.09Å; F197-R208 PolarHBondContact O-N 3.05Å; A199-R208 HydrophobicContact CB-CB 4.36Å
209I90.8Very high84.8Confident0 Ų066.6 Ų66.60%032%0.32CS..EExtended strand (participates in β ladder)trans-104.1128.7175.3-58-177.6000107.1E170 F171 V173 L179 V182 M183 V194 T207E170-I209 VanDerWaalsContact CA-O 3.27Å; E170-I209 WeakPolarHBondContact CA-O 3.24Å; F171-I209 HydrophobicContact CD1-CB 4.5Å; F171-I209 HydrophobicContact CD2-CB 4.44Å; F171-I209 HydrophobicContact CE1-CB 4.14Å; F171-I209 HydrophobicContact CE1-CG2 3.98Å; F171-I209 HydrophobicContact CE2-CB 4.1Å; F171-I209 HydrophobicContact CE2-CD1 3.66Å; F171-I209 HydrophobicContact CE2-CG1 4.28Å; F171-I209 HydrophobicContact CZ-CB 3.92Å; F171-I209 HydrophobicContact CZ-CD1 3.83Å; F171-I209 HydrophobicContact CZ-CG1 4.43Å; F171-I209 HydrophobicContact CZ-CG2 3.86Å; F171-I209 PolarHBondContact N-O 3.18Å; F171-I209 PolarHBondContact O-N 3.09Å; V173-I209 HydrophobicContact CG2-CD1 3.62Å; V173-I209 HydrophobicContact CG2-CG1 4.28Å; L179-I209 HydrophobicContact CD1-CD1 3.64Å; L179-I209 HydrophobicContact CD1-CG1 4.13Å; V182-I209 HydrophobicContact CB-CD1 4.39Å; V182-I209 HydrophobicContact CG1-CD1 3.56Å; M183-I209 HydrophobicContact SD-CD1 4.12Å; M183-I209 HydrophobicContact SD-CG2 4.49Å; V194-I209 HydrophobicContact CG1-CG2 3.83Å; T207-I209 HydrophobicContact CG2-CG1 4.46Å
210S92.4Very high85.7Confident4 Ų470.1 Ų70.13%0.02833%0.333CS..EExtended strand (participates in β ladder)trans-125.8115.8175.5-172.20000108.3R168 E170 T195R168-S210 WeakPolarHBondContact CD-OG 3.37Å; E170-S210 WeakPolarHBondContact OE1-CB 3.4Å; E170-S210 PolarHBondContact OE1-OG 3.3Å; T195-S210 PolarHBondContact N-O 3.4Å; T195-S210 PolarHBondContact O-N 2.9Å; T195-S210 VanDerWaalsContact O-O 3.07Å; T195-S210 PolarHBondContact OG1-O 3.32Å
211L92.8Very high86.5Confident0 Ų060.2 Ų60.20%030%0.295CS..EExtended strand (participates in β ladder)trans-117.6132.2-179.164.2102.2000110.3R168 V169 F171 V186 V192 S193 V194 C213 V221R168-L211 CarbonylContact C-O 3.55Å; R168-L211 WeakPolarHBondContact CA-O 3.29Å; V169-L211 HydrophobicContact CB-CD1 3.68Å; V169-L211 HydrophobicContact CB-CD2 3.93Å; V169-L211 HydrophobicContact CB-CG 3.68Å; V169-L211 HydrophobicContact CG1-CD2 4.41Å; V169-L211 HydrophobicContact CG2-CD1 3.77Å; V169-L211 HydrophobicContact CG2-CG 4.34Å; V169-L211 PolarHBondContact N-O 2.83Å; V169-L211 WeakPolarHBondContact O-CG 3.45Å; V169-L211 PolarHBondContact O-N 3.27Å; F171-L211 HydrophobicContact CD1-CD2 4.35Å; F171-L211 HydrophobicContact CE1-CD2 3.6Å; V186-L211 HydrophobicContact CG1-CB 4.46Å; V186-L211 HydrophobicContact CG1-CD2 4.07Å; V192-L211 HydrophobicContact CG1-CB 3.97Å; V192-L211 HydrophobicContact CG1-CD1 4.18Å; S193-L211 CarbonylContact O-C 3.58Å; S193-L211 WeakPolarHBondContact O-CA 3.33Å; V194-L211 HydrophobicContact CG2-CB 4.24Å; L211-C213 HydrophobicContact CD1-CB 4.14Å; L211-V221 HydrophobicContact CD1-CB 4.4Å; L211-V221 HydrophobicContact CD1-CG1 3.89Å; L211-V221 HydrophobicContact CD1-CG2 3.9Å; L211-V221 HydrophobicContact CD2-CG1 3.88Å
212N93Very high87.5Confident12 Ų1260.3 Ų60.36%0.06430%0.299CS..EExtended strand (participates in β ladder)trans-101.4135.3168.9-46.2-71.6000109.4E164 H167 R168 V192 S193E164-N212 CarbonylContact O-C 3.59Å; E164-N212 WeakPolarHBondContact O-CB 3.4Å; H167-N212 CarbonylContact O-C 3.59Å; H167-N212 WeakPolarHBondContact O-CA 3.05Å; R168-N212 PolarHBondContact NE-OD1 3.29Å; R168-N212 PolarHBondContact NH2-OD1 3.23Å; V192-N212 WeakPolarHBondContact CA-O 2.96Å; S193-N212 PolarHBondContact N-O 3.23Å; S193-N212 PolarHBondContact O-N 2.81Å; S193-N212 WeakPolarHBondContact OG-CB 3.23Å; S193-N212 PolarHBondContact OG-O 3.24Å
213C92Very high88.7Confident0 Ų057.3 Ų57.30%028%0.282CS..EExtended strand (participates in β ladder)trans-151.2160.2-173.265.80000113.3E164 G165 N166 H167 D191 V192 L211 A217E164-C213 PolarHBondContact O-N 3.13Å; G165-C213 CarbonylContact C-O 3.56Å; G165-C213 WeakPolarHBondContact CA-O 3.2Å; N166-C213 PolarHBondContact N-O 3.39Å; H167-C213 PolarHBondContact N-O 3.1Å; H167-C213 PolarHBondContact O-N 2.83Å; D191-C213 WeakPolarHBondContact O-CA 3.14Å; V192-C213 HydrophobicContact CB-CB 4.48Å; V192-C213 HydrophobicContact CG2-CB 3.81Å; L211-C213 HydrophobicContact CD1-CB 4.14Å; C213-A217 HydrophobicContact CB-CB 3.84Å
214T92Very high89.7Confident38 Ų3851.2 Ų51.223%0.23325%0.248CC..  trans-71.8164.5171.565.10000111.2D191 K216 A217 L218D191-T214 HydrophobicContact CB-CG2 3.68Å; D191-T214 PolarHBondContact O-N 3.09Å; T214-K216 PolarHBondContact O-N 2.94Å; T214-A217 PolarHBondContact O-N 2.96Å; T214-A217 PolarHBondContact OG1-N 2.89Å; T214-L218 WeakPolarHBondContact O-CB 3.22Å; T214-L218 PolarHBondContact O-N 3.47Å
215Q90.3Very high90.5Very high100 Ų10045.8 Ų45.847%0.46722%0.223SC..Hα-helixtrans-53.8-36.6172-176.565.824.300112.7N166 H167N166-Q215 PolarHBondContact OD1-N 3.31Å; N166-Q215 VanDerWaalsContact OD1-N 3.09Å; H167-Q215 PolarHBondContact CE1-OE1 3.13Å; H167-Q215 PolarHBondContact ND1-OE1 3.37Å; H167-Q215 PolarHBondContact NE2-OE1 2.63Å
216K91.4Very high91Very high134 Ų13441.4 Ų41.458%0.58321%0.208SC*.Hα-helixtrans-67.3-49.7178.8-177.5-173.9171.9-163.80110.9T214 L218 M219T214-K216 PolarHBondContact O-N 2.94Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-L218 PolarHBondContact O-N 3.18Å; K216-M219 PolarHBondContact O-N 3.16Å
217A92.7Very high91.3Very high1 Ų147.4 Ų47.41%0.00824%0.236CC..Hα-helixtrans-65.7-34178.300000112.3I189 D190 D191 V192 C213 T214 M219 Q220 V221I189-A217 HydrophobicContact CG2-CB 4Å; D190-A217 WeakPolarHBondContact O-CB 3.45Å; D191-A217 HydrophobicContact CB-CB 4.37Å; V192-A217 HydrophobicContact CG2-CB 3.76Å; C213-A217 HydrophobicContact CB-CB 3.84Å; T214-A217 PolarHBondContact O-N 2.96Å; T214-A217 PolarHBondContact OG1-N 2.89Å; A217-M219 VanDerWaalsContact C-N 3.27Å; A217-M219 PolarHBondContact O-N 2.99Å; A217-Q220 WeakPolarHBondContact O-CB 3.29Å; A217-Q220 PolarHBondContact O-N 3.49Å; A217-V221 WeakPolarHBondContact O-CG2 3.33Å; A217-V221 PolarHBondContact O-N 2.84Å
218L93.9Very high91.3Very high15 Ų1547 Ų478%0.07923%0.233CC..Hα-helixtrans-53.9-43174.817864.7000112H167 V169 T214 K216 Q220 V221 V222 I237H167-L218 HydrophobicContact CB-CD1 4.42Å; H167-L218 HydrophobicContact CB-CD2 4.19Å; V169-L218 HydrophobicContact CG2-CD1 3.38Å; T214-L218 WeakPolarHBondContact O-CB 3.22Å; T214-L218 PolarHBondContact O-N 3.47Å; K216-L218 VanDerWaalsContact C-N 3.32Å; K216-L218 PolarHBondContact O-N 3.18Å; L218-Q220 VanDerWaalsContact C-N 3.3Å; L218-Q220 PolarHBondContact O-N 3Å; L218-V221 PolarHBondContact O-N 2.92Å; L218-V222 HydrophobicContact CD1-CG2 3.87Å; L218-V222 HydrophobicContact CG-CG2 4.23Å; L218-V222 WeakPolarHBondContact O-CB 3.31Å; L218-V222 VanDerWaalsContact O-CG2 3.27Å; L218-V222 WeakPolarHBondContact O-CG2 3.49Å; L218-V222 PolarHBondContact O-N 3.07Å; L218-I237 HydrophobicContact CD1-CD1 4.42Å; L218-I237 HydrophobicContact CD1-CG2 3.89Å; L218-I237 HydrophobicContact CD2-CG2 4.24Å
219M92.8Very high91.1Very high120 Ų12050.4 Ų50.459%0.59125%0.249SC*.Hα-helixtrans-61.2-39.9178.3-66.1-173.3-70.100112K216 A217 D223K216-M219 PolarHBondContact O-N 3.16Å; A217-M219 VanDerWaalsContact C-N 3.27Å; A217-M219 PolarHBondContact O-N 2.99Å; M219-D223 WeakPolarHBondContact O-CB 3.5Å; M219-D223 PolarHBondContact O-N 3.11Å
220Q93.4Very high90.7Very high96 Ų9657 Ų5745%0.44928%0.28SS..Hα-helixtrans-70.7-39.9178.4-62.8-177.4-1300111.7I189 A217 L218 D223 F224I189-Q220 HydrophobicContact CD1-CB 4.18Å; I189-Q220 HydrophobicContact CG2-CB 4.17Å; A217-Q220 WeakPolarHBondContact O-CB 3.29Å; A217-Q220 PolarHBondContact O-N 3.49Å; L218-Q220 VanDerWaalsContact C-N 3.3Å; L218-Q220 PolarHBondContact O-N 3Å; Q220-D223 PolarHBondContact O-N 3.49Å; Q220-F224 WeakPolarHBondContact O-CB 3.23Å; Q220-F224 PolarHBondContact O-N 2.83Å
221V91.6Very high90.1Very high0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-63.9-46.4175.3173.70000110.7V169 I189 V192 L211 A217 L218 F224 L225V169-V221 HydrophobicContact CB-CG1 4.45Å; V169-V221 HydrophobicContact CG1-CG1 4.39Å; V169-V221 HydrophobicContact CG2-CG1 4.29Å; I189-V221 HydrophobicContact CD1-CG2 3.72Å; V192-V221 HydrophobicContact CG2-CG2 4.22Å; L211-V221 HydrophobicContact CD1-CB 4.4Å; L211-V221 HydrophobicContact CD1-CG1 3.89Å; L211-V221 HydrophobicContact CD1-CG2 3.9Å; L211-V221 HydrophobicContact CD2-CG1 3.88Å; A217-V221 WeakPolarHBondContact O-CG2 3.33Å; A217-V221 PolarHBondContact O-N 2.84Å; L218-V221 PolarHBondContact O-N 2.92Å; V221-F224 PolarHBondContact O-N 3.34Å; V221-L225 HydrophobicContact CG1-CD1 3.9Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 WeakPolarHBondContact O-CB 3.3Å; V221-L225 VanDerWaalsContact O-CG 3.25Å; V221-L225 WeakPolarHBondContact O-CG 3.46Å; V221-L225 PolarHBondContact O-N 2.95Å
222V91.5Very high89.4Confident59 Ų5959.6 Ų59.636%0.35829%0.291SS..Hα-helixtrans-64.4-41.2179.51710000111.1L218 L225 S226 I237L218-V222 HydrophobicContact CD1-CG2 3.87Å; L218-V222 HydrophobicContact CG-CG2 4.23Å; L218-V222 WeakPolarHBondContact O-CB 3.31Å; L218-V222 VanDerWaalsContact O-CG2 3.27Å; L218-V222 WeakPolarHBondContact O-CG2 3.49Å; L218-V222 PolarHBondContact O-N 3.07Å; V222-L225 PolarHBondContact O-N 2.81Å; V222-S226 WeakPolarHBondContact O-CB 3.24Å; V222-S226 PolarHBondContact O-N 2.81Å; V222-I237 HydrophobicContact CG2-CD1 3.63Å
223D91.8Very high88.5Confident93 Ų9364.9 Ų64.950%0.49732%0.316SS..Hα-helixtrans-60.5-50.7174.3-176.653000110.9M219 Q220 L225 S226 Q227M219-D223 WeakPolarHBondContact O-CB 3.5Å; M219-D223 PolarHBondContact O-N 3.11Å; Q220-D223 PolarHBondContact O-N 3.49Å; D223-L225 VanDerWaalsContact C-N 3.34Å; D223-L225 PolarHBondContact O-N 3.49Å; D223-S226 WeakPolarHBondContact O-CB 3.49Å; D223-S226 PolarHBondContact O-N 3.3Å; D223-S226 VanDerWaalsContact O-N 3.08Å; D223-S226 PolarHBondContact O-OG 3.24Å; D223-Q227 WeakPolarHBondContact O-CG 3.39Å; D223-Q227 PolarHBondContact O-N 2.95Å; D223-Q227 VanDerWaalsContact O-N 3.08Å
224F90.9Very high87.9Confident36 Ų3670.7 Ų70.716%0.15834%0.341CS..Hα-helixtrans-54.2-48.6176.3169.9-98.9000112.3V182 A185 V186 Q220 V221 Q227 N228V182-F224 HydrophobicContact CG1-CE1 4.36Å; V182-F224 HydrophobicContact CG2-CE1 4.33Å; V182-F224 HydrophobicContact CG2-CZ 4.31Å; A185-F224 HydrophobicContact CB-CD2 3.85Å; A185-F224 HydrophobicContact CB-CE1 4.25Å; A185-F224 HydrophobicContact CB-CE2 3.28Å; A185-F224 HydrophobicContact CB-CZ 3.52Å; V186-F224 HydrophobicContact CG2-CD1 4.3Å; V186-F224 HydrophobicContact CG2-CE1 4.23Å; Q220-F224 WeakPolarHBondContact O-CB 3.23Å; Q220-F224 PolarHBondContact O-N 2.83Å; V221-F224 PolarHBondContact O-N 3.34Å; F224-Q227 PolarHBondContact O-N 3.41Å; F224-N228 WeakPolarHBondContact CE2-ND2 3.18Å; F224-N228 HydrophobicContact CZ-CB 4.5Å; F224-N228 WeakPolarHBondContact O-CB 3.44Å; F224-N228 PolarHBondContact O-N 2.89Å; F224-N228 PolarHBondContact O-ND2 3.26Å
225L89.4Confident87.7Confident4 Ų471.3 Ų71.32%0.02135%0.345CS..Hα-helixtrans-60.3-48.1177.4-70.9176.3000109.9V169 F171 V221 V222 D223 Q227 N228 K229 Y232 T235V169-L225 HydrophobicContact CG1-CD1 3.84Å; F171-L225 HydrophobicContact CD1-CD1 4.15Å; F171-L225 HydrophobicContact CD1-CD2 4.05Å; F171-L225 HydrophobicContact CD2-CD2 4.29Å; F171-L225 HydrophobicContact CE1-CD1 4.29Å; F171-L225 HydrophobicContact CE1-CD2 3.83Å; F171-L225 HydrophobicContact CE2-CD2 4.05Å; F171-L225 HydrophobicContact CG-CD2 4.27Å; F171-L225 HydrophobicContact CZ-CD2 3.84Å; V221-L225 HydrophobicContact CG1-CD1 3.9Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 WeakPolarHBondContact O-CB 3.3Å; V221-L225 VanDerWaalsContact O-CG 3.25Å; V221-L225 WeakPolarHBondContact O-CG 3.46Å; V221-L225 PolarHBondContact O-N 2.95Å; V222-L225 PolarHBondContact O-N 2.81Å; D223-L225 VanDerWaalsContact C-N 3.34Å; D223-L225 PolarHBondContact O-N 3.49Å; L225-Q227 PolarHBondContact O-N 3.39Å; L225-Q227 VanDerWaalsContact O-N 3.12Å; L225-N228 CarbonylContact O-C 3.57Å; L225-N228 PolarHBondContact O-N 3.41Å; L225-K229 PolarHBondContact O-N 3.01Å; L225-Y232 HydrophobicContact CB-CE1 3.83Å; L225-Y232 WeakPolarHBondContact CB-OH 3.38Å; L225-Y232 HydrophobicContact CD2-CD1 3.75Å; L225-Y232 HydrophobicContact CD2-CE1 3.59Å; L225-Y232 HydrophobicContact CD2-CG 4.31Å; L225-Y232 HydrophobicContact CG-CE1 4.32Å; L225-Y232 WeakPolarHBondContact O-CE1 3.43Å; L225-Y232 PolarHBondContact O-OH 3.45Å; L225-T235 HydrophobicContact CD1-CG2 3.82Å
226S89.3Confident87.7Confident49 Ų4969.8 Ų69.834%0.34334%0.338SS..Hα-helixtrans-57.3-33.1-178.882.30000114V222 D223 K229V222-S226 WeakPolarHBondContact O-CB 3.24Å; V222-S226 PolarHBondContact O-N 2.81Å; D223-S226 WeakPolarHBondContact O-CB 3.49Å; D223-S226 PolarHBondContact O-N 3.3Å; D223-S226 VanDerWaalsContact O-N 3.08Å; D223-S226 PolarHBondContact O-OG 3.24Å; S226-K229 WeakPolarHBondContact O-CE 3.23Å; S226-K229 WeakPolarHBondContact O-CG 3.4Å
227Q89.3Confident87.8Confident132 Ų13267.3 Ų67.362%0.61733%0.33SS*.Hα-helixtrans-82.6-12.6177.3-59.6-59-24.300113.5D223 F224 L225D223-Q227 WeakPolarHBondContact O-CG 3.39Å; D223-Q227 PolarHBondContact O-N 2.95Å; D223-Q227 VanDerWaalsContact O-N 3.08Å; F224-Q227 PolarHBondContact O-N 3.41Å; L225-Q227 PolarHBondContact O-N 3.39Å; L225-Q227 VanDerWaalsContact O-N 3.12Å
228N87.6Confident87.7Confident21 Ų2171 Ų7111%0.11235%0.349CS..THydrogen-bonded Turntrans-128.233.1-173-66.7-87000112.9F224 L225 Q230 L231 Y232F224-N228 WeakPolarHBondContact CE2-ND2 3.18Å; F224-N228 HydrophobicContact CZ-CB 4.5Å; F224-N228 WeakPolarHBondContact O-CB 3.44Å; F224-N228 PolarHBondContact O-N 2.89Å; F224-N228 PolarHBondContact O-ND2 3.26Å; L225-N228 CarbonylContact O-C 3.57Å; L225-N228 PolarHBondContact O-N 3.41Å; N228-Q230 PolarHBondContact O-N 3.36Å; N228-L231 HydrophobicContact CB-CD1 3.81Å; N228-L231 HydrophobicContact CB-CG 4.11Å; N228-L231 WeakPolarHBondContact O-CB 3.34Å; N228-L231 PolarHBondContact O-N 2.91Å; N228-Y232 WeakPolarHBondContact O-CD1 3.42Å; N228-Y232 VanDerWaalsContact O-CE1 3.3Å; N228-Y232 WeakPolarHBondContact O-CE1 3.27Å
229K83.4Confident87.6Confident145 Ų14574.8 Ų74.863%0.6338%0.377SS*.G310 helixtrans-52.3-24.1-177.4-69.6179.7-176.4-178.40115.2L225 S226 L231L225-K229 PolarHBondContact O-N 3.01Å; S226-K229 WeakPolarHBondContact O-CE 3.23Å; S226-K229 WeakPolarHBondContact O-CG 3.4Å; K229-L231 VanDerWaalsContact C-N 3.27Å; K229-L231 PolarHBondContact O-N 2.9Å
230Q82.4Confident87.4Confident138 Ų13870.6 Ų70.665%0.64536%0.357SS*.G310 helixtrans-73.7-16.117770.6-77.89.200113.8N228N228-Q230 PolarHBondContact O-N 3.36Å
231L80.2Confident87Confident27 Ų2772.7 Ų72.714%0.14137%0.367CS..G310 helixtrans-89.9-10.1-176.5-56.5-175000113A178 K181 V182 N228 K229A178-L231 HydrophobicContact CB-CB 4.39Å; A178-L231 HydrophobicContact CB-CD2 3.94Å; K181-L231 HydrophobicContact CD-CD1 4.01Å; V182-L231 HydrophobicContact CG2-CB 4.15Å; V182-L231 HydrophobicContact CG2-CD1 4.03Å; N228-L231 HydrophobicContact CB-CD1 3.81Å; N228-L231 HydrophobicContact CB-CG 4.11Å; N228-L231 WeakPolarHBondContact O-CB 3.34Å; N228-L231 PolarHBondContact O-N 2.91Å; K229-L231 VanDerWaalsContact C-N 3.27Å; K229-L231 PolarHBondContact O-N 2.9Å
232Y78.1Confident86.8Confident31 Ų3175.9 Ų75.912%0.12238%0.38CS..  trans-149.7159.2-176.965-89.1000111.4F171 N172 L225 N228 T235F171-Y232 HydrophobicContact CB-CD2 4.36Å; F171-Y232 HydrophobicContact CD2-CG 4.1Å; N172-Y232 WeakPolarHBondContact O-CA 3.39Å; N172-Y232 VanDerWaalsContact O-CB 3.23Å; N172-Y232 WeakPolarHBondContact O-CB 3.31Å; L225-Y232 HydrophobicContact CB-CE1 3.83Å; L225-Y232 WeakPolarHBondContact CB-OH 3.38Å; L225-Y232 HydrophobicContact CD2-CD1 3.75Å; L225-Y232 HydrophobicContact CD2-CE1 3.59Å; L225-Y232 HydrophobicContact CD2-CG 4.31Å; L225-Y232 HydrophobicContact CG-CE1 4.32Å; L225-Y232 WeakPolarHBondContact O-CE1 3.43Å; L225-Y232 PolarHBondContact O-OH 3.45Å; N228-Y232 WeakPolarHBondContact O-CD1 3.42Å; N228-Y232 VanDerWaalsContact O-CE1 3.3Å; N228-Y232 WeakPolarHBondContact O-CE1 3.27Å; Y232-T235 WeakPolarHBondContact CD2-OG1 3.22Å; Y232-T235 WeakPolarHBondContact CE2-OG1 3.42Å
233Q73.9Confident86.6Confident124 Ų12476 Ų7658%0.57938%0.382SS*.SBendtrans-103.8-43.6-173-68.2-176.2-11.800114.2N172 S174 Q206N172-Q233 PolarHBondContact O-N 3.29Å; S174-Q233 PolarHBondContact OG-NE2 2.69Å; Q206-Q233 VanDerWaalsContact NE2-OE1 3.09Å
234K80.4Confident86.6Confident121 Ų12176.5 Ų76.553%0.52638%0.384SS..  trans-134.8135.6-174.6-169.5-176-170.3-166.90109.1F171 E236F171-K234 WeakPolarHBondContact CA-O 3.03Å; F171-K234 WeakPolarHBondContact CB-O 3.32Å; K234-E236 WeakPolarHBondContact CE-OE1 3.14Å; K234-E236 IonicContact NZ-OE1 2.64Å; K234-E236 PolarHBondContact NZ-OE1 3.45Å
235T87.6Confident86.7Confident51 Ų5176.8 Ų76.831%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-120.6125.4172.3-55.40000109.1V169 E170 L225 Y232 I237V169-T235 HydrophobicContact CG1-CG2 3.59Å; E170-T235 CarbonylContact O-C 3.54Å; E170-T235 WeakPolarHBondContact O-CA 3.39Å; L225-T235 HydrophobicContact CD1-CG2 3.82Å; Y232-T235 WeakPolarHBondContact CD2-OG1 3.22Å; Y232-T235 WeakPolarHBondContact CE2-OG1 3.42Å; T235-I237 HydrophobicContact CG2-CG1 4.16Å
236E90.8Very high86.6Confident68 Ų6883.4 Ų83.432%0.31842%0.422SS..EExtended strand (participates in β ladder)trans-112.2132.9169.3-69178.9-179.100108.1V169 E170 K234V169-E236 CarbonylContact C-O 3.53Å; V169-E236 WeakPolarHBondContact CA-O 3.39Å; E170-E236 PolarHBondContact N-O 3.25Å; E170-E236 PolarHBondContact O-N 3.39Å; K234-E236 WeakPolarHBondContact CE-OE1 3.14Å; K234-E236 IonicContact NZ-OE1 2.64Å; K234-E236 PolarHBondContact NZ-OE1 3.45Å
237I92.4Very high86.8Confident83 Ų8386.9 Ų86.943%0.42643%0.432SS..EExtended strand (participates in β ladder)trans-117.7120.2175.5-56.9173.6000106.5R168 V169 L218 V222 T235R168-I237 WeakPolarHBondContact O-CA 3.09Å; V169-I237 HydrophobicContact CG1-CG1 4.15Å; V169-I237 HydrophobicContact CG2-CG1 4.23Å; V169-I237 HydrophobicContact CG2-CG2 4.42Å; L218-I237 HydrophobicContact CD1-CD1 4.42Å; L218-I237 HydrophobicContact CD1-CG2 3.89Å; L218-I237 HydrophobicContact CD2-CG2 4.24Å; V222-I237 HydrophobicContact CG2-CD1 3.63Å; T235-I237 HydrophobicContact CG2-CG1 4.16Å
238L91.6Very high87.2Confident79 Ų7981.1 Ų81.141%0.41441%0.407SS..EExtended strand (participates in β ladder)trans-115.1128.6-179-56.8173.2000108.5H167 R168H167-L238 CarbonylContact C-O 3.4Å; H167-L238 VanDerWaalsContact CA-O 3.31Å; H167-L238 WeakPolarHBondContact CA-O 3.31Å; R168-L238 HydrophobicContact CB-CB 4.38Å; R168-L238 PolarHBondContact N-O 2.76Å; R168-L238 PolarHBondContact O-N 2.91Å
239S90.7Very high87.7Confident94 Ų9480.1 Ų80.166%0.65740%0.401SS*.EExtended strand (participates in β ladder)trans-76.4128.9164.2-61.10000108.6H167H167-S239 PolarHBondContact NE2-OG 3.35Å
240L88.8Confident88.3Confident32 Ų3273.7 Ų73.717%0.16837%0.374CS..  trans-85.2149.4176.7-59.9178.1000109.5Y161 T163 N166 R168Y161-L240 HydrophobicContact CD1-CB 4.08Å; Y161-L240 HydrophobicContact CE1-CB 4.35Å; Y161-L240 VanDerWaalsContact CE1-O 3.22Å; Y161-L240 WeakPolarHBondContact CE1-O 3.49Å; T163-L240 WeakPolarHBondContact OG1-CD1 3.32Å; N166-L240 PolarHBondContact O-N 3Å; R168-L240 HydrophobicContact CB-CD1 4.38Å; R168-L240 HydrophobicContact CB-CD2 3.95Å; R168-L240 HydrophobicContact CB-CG 4.26Å
241E85.8Confident89.1Confident140 Ų14067.1 Ų67.165%0.65434%0.343SS*.  trans-109.8146.6172.1-69.6-152.1-152.300111.1K157K157-E241 IonicContact NZ-OE2 3.09Å; K157-E241 PolarHBondContact NZ-OE2 2.91Å
242K87Confident90Very high67 Ų6766 Ų6629%0.29134%0.336SS..PPolyproline II helixtrans-68.3134.4169.1-72.9164.7168.4-159.70109K157 A158 P159 Y161K157-K242 HydrophobicContact CB-CB 3.83Å; K157-K242 HydrophobicContact CD-CB 4.25Å; K157-K242 HydrophobicContact CG-CB 4.4Å; A158-K242 VanDerWaalsContact O-CD 3.24Å; A158-K242 WeakPolarHBondContact O-CD 3.34Å; P159-K242 VanDerWaalsContact O-CE 3.22Å; P159-K242 WeakPolarHBondContact O-CE 3.33Å; P159-K242 PolarHBondContact O-NZ 3.16Å; Y161-K242 HydrophobicContact CD1-CG 3.83Å; Y161-K242 HydrophobicContact CD2-CG 4.23Å; Y161-K242 HydrophobicContact CE1-CG 3.7Å; Y161-K242 HydrophobicContact CE2-CD 4.37Å; Y161-K242 HydrophobicContact CE2-CG 4.11Å; Y161-K242 HydrophobicContact CG-CG 4.09Å
243P88.6Confident91Very high60 Ų6065.3 Ų65.339%0.3934%0.335SS..PPolyproline II helixtrans-63.4149.7178.926.5-33.9000110.7K157 A158 P162K157-P243 CarbonylContact C-O 3.57Å; K157-P243 WeakPolarHBondContact CA-O 3.33Å; A158-P243 HydrophobicContact CB-CG 3.75Å; A158-P243 PolarHBondContact N-O 3.47Å; P162-P243 HydrophobicContact CG-CG 4.11Å
244L91.5Very high92.2Very high104 Ų10459.4 Ų59.455%0.54531%0.308SS..EExtended strand (participates in β ladder)trans-73.9142173.5-61.5-178.1000110.5P155 K157P155-L244 HydrophobicContact CB-CB 4.24Å; P155-L244 HydrophobicContact CB-CD1 4.22Å; P155-L244 HydrophobicContact CB-CD2 4.2Å; P155-L244 HydrophobicContact CB-CG 4.45Å; P155-L244 HydrophobicContact CG-CD1 4.29Å; K157-L244 HydrophobicContact CG-CD2 3.91Å
245L91.8Very high93Very high43 Ų4356.1 Ų56.123%0.22530%0.298CS..EExtended strand (participates in β ladder)trans-86.3115.1170.7-63.2179.6000108.8F45 S156 A158 H247 T248F45-L245 HydrophobicContact CD1-CD1 4.24Å; F45-L245 HydrophobicContact CE1-CD1 3.65Å; F45-L245 HydrophobicContact CZ-CD1 4.38Å; S156-L245 PolarHBondContact O-N 3.36Å; A158-L245 HydrophobicContact CB-CD2 4.11Å; L245-H247 PolarHBondContact O-N 3.33Å; L245-H247 VanDerWaalsContact O-N 3.13Å; L245-T248 HydrophobicContact CD1-CG2 4.23Å; L245-T248 PolarHBondContact O-N 2.94Å
246L88.3Confident93.6Very high143 Ų14353.9 Ų53.975%0.74928%0.284SS*.EExtended strand (participates in β ladder)trans-58.2-30.4-170.7-79.9141.8000114.7P152P152-L246 WeakPolarHBondContact CD-O 3.37Å
247H93.6Very high93.9Very high121 Ų12155.2 Ų55.256%0.5629%0.293SS*.EExtended strand (participates in β ladder)trans-120.55.1-173.7-55.8-57.6000113.6P134 L245 R252P134-H247 HydrophobicContact CB-CB 4.13Å; P134-H247 HydrophobicContact CG-CB 4.13Å; L245-H247 PolarHBondContact O-N 3.33Å; L245-H247 VanDerWaalsContact O-N 3.13Å; H247-R252 PolarHBondContact O-NH2 2.88Å
248T96.6Very high94.1Very high12 Ų1258.9 Ų58.97%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-118.9133.4-176.6-49.30000109.2F45 A132 P134 P155 S156 L245F45-T248 HydrophobicContact CB-CG2 4.15Å; F45-T248 HydrophobicContact CD1-CG2 3.77Å; F45-T248 HydrophobicContact CD2-CG2 3.73Å; F45-T248 HydrophobicContact CE1-CG2 4.04Å; F45-T248 HydrophobicContact CE2-CG2 3.99Å; F45-T248 HydrophobicContact CG-CG2 3.62Å; F45-T248 HydrophobicContact CZ-CG2 4.14Å; A132-T248 HydrophobicContact CB-CG2 4.21Å; A132-T248 WeakPolarHBondContact O-CA 3.08Å; P134-T248 WeakPolarHBondContact CG-OG1 3.46Å; P155-T248 WeakPolarHBondContact CA-O 3.34Å; S156-T248 PolarHBondContact N-O 2.68Å; L245-T248 HydrophobicContact CD1-CG2 4.23Å; L245-T248 PolarHBondContact O-N 2.94Å
249G97.6Very high94.4Very high0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans151.1173.8-179.200000113.2A132 H154 S156 R252A132-G249 VanDerWaalsContact CA-O 3.28Å; A132-G249 WeakPolarHBondContact CA-O 3.4Å; A132-G249 PolarHBondContact O-N 3.18Å; H154-G249 CarbonylContact O-C 3.49Å; H154-G249 WeakPolarHBondContact O-CA 3.25Å; S156-G249 WeakPolarHBondContact OG-CA 3.31Å; S156-G249 PolarHBondContact OG-N 2.89Å; G249-R252 PolarHBondContact O-NH1 3.27Å
250M98.1Very high94.8Very high10 Ų1054.1 Ų54.15%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-79.3144.4-177.2-56.3-54.815700112.5F45 E47 T128 D131 A132 I153 H154 V305F45-M250 WeakPolarHBondContact O-CE 3.39Å; E47-M250 HydrophobicContact CG-CE 3.85Å; E47-M250 HydrophobicContact CG-CG 4.5Å; E47-M250 WeakPolarHBondContact OE1-CE 3.29Å; E47-M250 WeakPolarHBondContact OE1-CG 3.48Å; T128-M250 WeakPolarHBondContact O-CE 3.25Å; D131-M250 HydrophobicContact CB-SD 3.96Å; A132-M250 HydrophobicContact CB-CE 3.64Å; A132-M250 HydrophobicContact CB-SD 4.14Å; I153-M250 PolarHBondContact N-O 3.29Å; H154-M250 HydrophobicContact CB-CB 4.27Å; H154-M250 PolarHBondContact N-O 3.28Å; H154-M250 PolarHBondContact O-N 3.47Å; M250-V305 HydrophobicContact CB-CG1 4.3Å; M250-V305 HydrophobicContact CB-CG2 4.15Å
251G98.4Very high95.3Very high0 Ų053.4 Ų53.40%028%0.278CS..EExtended strand (participates in β ladder)trans59173.5-179.600000113.9P152 I153 L297P152-G251 WeakPolarHBondContact CA-O 3.33Å; I153-G251 PolarHBondContact N-O 2.94Å; G251-L297 CarbonylContact C-O 3.59Å; G251-L297 WeakPolarHBondContact CA-O 3.31Å
252R98.8Very high95.9Very high2 Ų246.7 Ų46.71%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-134135.2172.6-63-67.7174.8-102.31110.9A132 A133 N138 N139 S150 R151 H247 G249 A296 L297A132-R252 PolarHBondContact O-NH2 2.81Å; A133-R252 PolarHBondContact O-NH2 2.78Å; N138-R252 HydrophobicContact CB-CG 3.9Å; N139-R252 PolarHBondContact OD1-NE 2.66Å; N139-R252 PolarHBondContact OD1-NH2 3.4Å; S150-R252 WeakPolarHBondContact OG-CB 3.34Å; S150-R252 WeakPolarHBondContact OG-CD 3.47Å; R151-R252 CarbonylContact O-C 3.59Å; R151-R252 WeakPolarHBondContact O-CA 3.28Å; H247-R252 PolarHBondContact O-NH2 2.88Å; G249-R252 PolarHBondContact O-NH1 3.27Å; R252-A296 CarbonylContact O-C 3.6Å; R252-A296 WeakPolarHBondContact O-CA 3.4Å; R252-L297 HydrophobicContact CB-CD1 3.93Å; R252-L297 HydrophobicContact CB-CD2 4.34Å; R252-L297 HydrophobicContact CB-CG 3.92Å; R252-L297 HydrophobicContact CG-CD1 4.27Å; R252-L297 PolarHBondContact N-O 3.32Å; R252-L297 PolarHBondContact O-N 3.09Å
253L98.8Very high96.5Very high18 Ų1844.9 Ų44.99%0.09424%0.244CC..EExtended strand (participates in β ladder)trans-98.2112.2162.5-16871.8000107.7R151 I153 V294 A296 V309 A311R151-L253 HydrophobicContact CG-CB 4.31Å; R151-L253 PolarHBondContact N-O 2.94Å; R151-L253 VanDerWaalsContact N-O 3.16Å; R151-L253 PolarHBondContact O-N 2.79Å; I153-L253 HydrophobicContact CG1-CB 4.14Å; L253-V294 HydrophobicContact CD1-CG1 3.64Å; L253-V294 HydrophobicContact CD2-CG1 4.43Å; L253-V294 HydrophobicContact CG-CG1 4.04Å; L253-A296 HydrophobicContact CD1-CB 3.79Å; L253-V309 HydrophobicContact CD1-CG1 3.73Å; L253-A311 HydrophobicContact CD1-CB 4.31Å
254C98.8Very high97Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-105.9127.5-177.3-61.30000110L145 C148 T149 S150 V294 V295L145-C254 HydrophobicContact CD1-CB 3.76Å; C148-C254 HydrophobicContact CB-CB 4.38Å; T149-C254 CarbonylContact O-C 3.46Å; T149-C254 VanDerWaalsContact O-CA 3.25Å; T149-C254 WeakPolarHBondContact O-CA 3.44Å; S150-C254 PolarHBondContact OG-SG 2.83Å; S150-C254 VanDerWaalsContact OG-SG 3.36Å; C254-V294 CarbonylContact O-C 3.58Å; C254-V294 WeakPolarHBondContact O-CA 3.22Å; C254-V295 PolarHBondContact N-O 2.98Å; C254-V295 PolarHBondContact O-N 3.13Å
255T98.8Very high97.3Very high52 Ų5239.7 Ų39.732%0.31922%0.216SC..EExtended strand (participates in β ladder)trans-108.2110.6170-56.90000107.7C148 T149 K293C148-T255 VanDerWaalsContact CA-O 3.31Å; C148-T255 WeakPolarHBondContact CA-O 3.39Å; C148-T255 VanDerWaalsContact CB-O 3.32Å; C148-T255 WeakPolarHBondContact CB-O 3.19Å; T149-T255 PolarHBondContact N-O 3.16Å; T149-T255 PolarHBondContact O-N 3.26Å; T149-T255 PolarHBondContact OG1-O 3.23Å; T255-K293 HydrophobicContact CG2-CD 4.46Å; T255-K293 HydrophobicContact CG2-CG 4.43Å
256L98.7Very high97.7Very high3 Ų338.6 Ų38.62%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-60.7149.5178.6-58.7179.5000110.6L145 C148 E258 V260 M265 V292 K293L145-L256 HydrophobicContact CB-CD2 3.98Å; C148-L256 HydrophobicContact CB-CD2 3.84Å; L256-E258 VanDerWaalsContact C-N 3.32Å; L256-E258 VanDerWaalsContact CB-O 3.27Å; L256-E258 WeakPolarHBondContact CB-O 3.24Å; L256-V260 HydrophobicContact CD1-CG2 3.9Å; L256-M265 HydrophobicContact CD1-CE 3.55Å; L256-M265 HydrophobicContact CD2-CE 4.17Å; L256-M265 HydrophobicContact CG-CE 4.42Å; L256-V292 WeakPolarHBondContact CD1-O 3.22Å; L256-K293 HydrophobicContact CB-CD 4.33Å; L256-K293 PolarHBondContact N-O 3.08Å; L256-K293 WeakPolarHBondContact O-CD 3.37Å; L256-K293 WeakPolarHBondContact O-CE 3.22Å; L256-K293 PolarHBondContact O-NZ 2.91Å
257D97.8Very high98.2Very high96 Ų9636 Ų3651%0.51320%0.197SC..EExtended strand (participates in β ladder)trans-68.1-36.8176.1-66.6-12.5000111A147 K293A147-D257 WeakPolarHBondContact CB-OD2 3.39Å; A147-D257 PolarHBondContact O-N 3.29Å; D257-K293 PolarHBondContact O-NZ 2.91Å
258E97Very high98.4Very high160 Ų16033.9 Ų33.975%0.74818%0.184SC*.EExtended strand (participates in β ladder)trans-129.2142.1173.3-64.6-173.3166.800110.5L256L256-E258 VanDerWaalsContact C-N 3.32Å; L256-E258 VanDerWaalsContact CB-O 3.27Å; L256-E258 WeakPolarHBondContact CB-O 3.24Å
259S98.3Very high98.5Very high55 Ų5533.4 Ų33.439%0.38518%0.181SC..EExtended strand (participates in β ladder)trans-68.5145.6174.9-55.40000110.5V292S259-V292 WeakPolarHBondContact CA-O 3.38Å
260V98.6Very high98.5Very high18 Ų1836 Ų3611%0.10919%0.193CC..EExtended strand (participates in β ladder)trans-131.4159.5176-60.80000111L256 T264 M265 Q291 V292L256-V260 HydrophobicContact CD1-CG2 3.9Å; V260-T264 HydrophobicContact CB-CG2 4.22Å; V260-M265 HydrophobicContact CG2-CB 4.33Å; V260-M265 HydrophobicContact CG2-CE 3.87Å; V260-Q291 CarbonylContact O-C 3.57Å; V260-Q291 WeakPolarHBondContact O-CA 3.47Å; V260-V292 PolarHBondContact N-O 2.87Å; V260-V292 PolarHBondContact O-N 2.73Å
261S98.8Very high98.6Very high17 Ų1743.8 Ų43.812%0.11922%0.221CC..EExtended strand (participates in β ladder)trans-65.9151.1171.867.40000111.4A263 T264 M265 S290S261-A263 PolarHBondContact O-N 2.58Å; S261-T264 WeakPolarHBondContact O-CB 3.47Å; S261-T264 PolarHBondContact O-N 2.97Å; S261-T264 VanDerWaalsContact O-N 3.08Å; S261-T264 PolarHBondContact OG-N 2.73Å; S261-T264 PolarHBondContact OG-OG1 2.92Å; S261-M265 PolarHBondContact O-N 3.13Å; S261-S290 WeakPolarHBondContact CA-O 3.41Å
262L98.8Very high98.6Very high0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-56.9-38.5173.7178.461.8000111.6T264 M265 I266 L280 L282 L288 S290 V292 L313 N333 I335L262-T264 PolarHBondContact O-N 3.01Å; L262-M265 WeakPolarHBondContact O-CB 3.39Å; L262-M265 PolarHBondContact O-N 3.25Å; L262-I266 HydrophobicContact CD1-CD1 4.43Å; L262-I266 HydrophobicContact CD1-CG1 4.39Å; L262-I266 HydrophobicContact CG-CD1 4.09Å; L262-I266 VanDerWaalsContact O-CG1 3.25Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.3Å; L262-L280 HydrophobicContact CD1-CD1 4.46Å; L262-L280 HydrophobicContact CD2-CD1 4.19Å; L262-L280 HydrophobicContact CD2-CD2 4.35Å; L262-L282 HydrophobicContact CD2-CD2 3.48Å; L262-L282 VanDerWaalsContact CD2-CD2 3.48Å; L262-L288 WeakPolarHBondContact CB-O 3.22Å; L262-L288 HydrophobicContact CD2-CD2 4.27Å; L262-L288 HydrophobicContact CG-CD2 4.47Å; L262-L288 PolarHBondContact N-O 2.85Å; L262-S290 PolarHBondContact N-O 3.45Å; L262-V292 HydrophobicContact CB-CG2 4.14Å; L262-V292 HydrophobicContact CD1-CG2 4.16Å; L262-L313 HydrophobicContact CD1-CD1 4.19Å; L262-L313 HydrophobicContact CD1-CD2 4.47Å; L262-N333 HydrophobicContact CD1-CB 4.31Å; L262-N333 HydrophobicContact CD2-CB 4.15Å; L262-I335 HydrophobicContact CD1-CD1 4.27Å
263A98.8Very high98.5Very high28 Ų2847 Ų4723%0.23124%0.237CC..Hα-helixtrans-56.1-47.6172.700000112.4S261 M265 I266 D267 L288S261-A263 PolarHBondContact O-N 2.58Å; A263-M265 VanDerWaalsContact C-N 3.3Å; A263-M265 PolarHBondContact O-N 3.14Å; A263-I266 WeakPolarHBondContact O-CB 3.42Å; A263-I266 PolarHBondContact O-N 2.91Å; A263-D267 PolarHBondContact O-N 3.43Å; A263-D267 VanDerWaalsContact O-N 3.11Å; A263-L288 HydrophobicContact CB-CB 4.28Å; A263-L288 PolarHBondContact N-O 2.96Å
264T98.8Very high98.4Very high56 Ų5655.2 Ų55.234%0.34427%0.272SS..Hα-helixtrans-61.4-41.2176.8-58.10000111.2V260 S261 L262 D267 R268V260-T264 HydrophobicContact CB-CG2 4.22Å; S261-T264 WeakPolarHBondContact O-CB 3.47Å; S261-T264 PolarHBondContact O-N 2.97Å; S261-T264 VanDerWaalsContact O-N 3.08Å; S261-T264 PolarHBondContact OG-N 2.73Å; S261-T264 PolarHBondContact OG-OG1 2.92Å; L262-T264 PolarHBondContact O-N 3.01Å; T264-D267 PolarHBondContact O-N 2.99Å; T264-R268 WeakPolarHBondContact O-CG 3.49Å; T264-R268 PolarHBondContact O-N 3.08Å
265M98.8Very high98.3Very high0 Ų056.9 Ų56.90%028%0.28CS..Hα-helixtrans-63.4-44.1178.6-175.653.374.400111.8L145 L256 V260 S261 L262 A263 D267 R268 I269 V292 V295 L313L145-M265 HydrophobicContact CB-CE 4.2Å; L145-M265 HydrophobicContact CB-SD 4.25Å; L145-M265 HydrophobicContact CD2-CE 4.23Å; L145-M265 HydrophobicContact CD2-SD 3.52Å; L145-M265 VanDerWaalsContact CD2-SD 3.52Å; L145-M265 HydrophobicContact CG-SD 4.49Å; L256-M265 HydrophobicContact CD1-CE 3.55Å; L256-M265 HydrophobicContact CD2-CE 4.17Å; L256-M265 HydrophobicContact CG-CE 4.42Å; V260-M265 HydrophobicContact CG2-CB 4.33Å; V260-M265 HydrophobicContact CG2-CE 3.87Å; S261-M265 PolarHBondContact O-N 3.13Å; L262-M265 WeakPolarHBondContact O-CB 3.39Å; L262-M265 PolarHBondContact O-N 3.25Å; A263-M265 VanDerWaalsContact C-N 3.3Å; A263-M265 PolarHBondContact O-N 3.14Å; M265-D267 VanDerWaalsContact C-N 3.32Å; M265-D267 PolarHBondContact O-N 3.45Å; M265-R268 PolarHBondContact O-N 3.41Å; M265-I269 HydrophobicContact CG-CD1 3.79Å; M265-I269 WeakPolarHBondContact O-CG1 3.11Å; M265-I269 PolarHBondContact O-N 2.92Å; M265-I269 HydrophobicContact SD-CD1 4.01Å; M265-I269 HydrophobicContact SD-CG1 4.21Å; M265-V292 HydrophobicContact CE-CG1 4.34Å; M265-V295 HydrophobicContact CE-CG2 4.18Å; M265-L313 HydrophobicContact CG-CD2 3.5Å
266I98.8Very high98.1Very high19 Ų1958.5 Ų58.510%0.09729%0.294CS..Hα-helixtrans-55.6-47.2175-71.7169.8000110.9L262 A263 R268 I269 K270 I278 L280 L288 I335L262-I266 HydrophobicContact CD1-CD1 4.43Å; L262-I266 HydrophobicContact CD1-CG1 4.39Å; L262-I266 HydrophobicContact CG-CD1 4.09Å; L262-I266 VanDerWaalsContact O-CG1 3.25Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.3Å; A263-I266 WeakPolarHBondContact O-CB 3.42Å; A263-I266 PolarHBondContact O-N 2.91Å; I266-R268 VanDerWaalsContact C-N 3.35Å; I266-R268 PolarHBondContact O-N 3.42Å; I266-I269 PolarHBondContact O-N 3.4Å; I266-K270 HydrophobicContact CG2-CD 4.22Å; I266-K270 WeakPolarHBondContact O-CB 3.46Å; I266-K270 WeakPolarHBondContact O-CG 3.48Å; I266-K270 PolarHBondContact O-N 2.85Å; I266-I278 HydrophobicContact CB-CD1 3.98Å; I266-I278 HydrophobicContact CD1-CD1 4.38Å; I266-I278 HydrophobicContact CG1-CD1 3.71Å; I266-I278 HydrophobicContact CG2-CD1 3.5Å; I266-I278 VanDerWaalsContact CG2-CD1 3.5Å; I266-I278 HydrophobicContact CG2-CG1 4.21Å; I266-L280 HydrophobicContact CD1-CD1 4.4Å; I266-L280 HydrophobicContact CD1-CD2 3.86Å; I266-L288 HydrophobicContact CD1-CD2 3.9Å; I266-I335 HydrophobicContact CG1-CD1 3.69Å
267D98.8Very high98Very high89 Ų8963.9 Ų63.948%0.47632%0.319SS..Hα-helixtrans-65.6-37.1179.6-74.2-18.7000112.7A263 T264 M265 R271A263-D267 PolarHBondContact O-N 3.43Å; A263-D267 VanDerWaalsContact O-N 3.11Å; T264-D267 PolarHBondContact O-N 2.99Å; M265-D267 VanDerWaalsContact C-N 3.32Å; M265-D267 PolarHBondContact O-N 3.45Å; D267-R271 VanDerWaalsContact O-CB 3.32Å; D267-R271 WeakPolarHBondContact O-CB 3.28Å; D267-R271 PolarHBondContact O-N 2.9Å
268R98.6Very high97.9Very high77 Ų7760.8 Ų60.829%0.29130%0.302SS..Hα-helixtrans-63.9-47.2175-70.1178.3178.3-178.41.6111.3G144 L145 T264 M265 I266 R271 H272G144-R268 CarbonylContact O-C 3.36Å; G144-R268 VanDerWaalsContact O-CB 3.26Å; G144-R268 WeakPolarHBondContact O-CB 3.34Å; L145-R268 WeakPolarHBondContact O-CD 3.09Å; L145-R268 PolarHBondContact O-NH1 3.17Å; T264-R268 WeakPolarHBondContact O-CG 3.49Å; T264-R268 PolarHBondContact O-N 3.08Å; M265-R268 PolarHBondContact O-N 3.41Å; I266-R268 VanDerWaalsContact C-N 3.35Å; I266-R268 PolarHBondContact O-N 3.42Å; R268-R271 PolarHBondContact O-N 3.11Å; R268-H272 WeakPolarHBondContact O-CB 3.46Å; R268-H272 PolarHBondContact O-N 2.95Å
269I98.8Very high98Very high2 Ų260.1 Ų60.11%0.0129%0.293CS..Hα-helixtrans-62.6-48.4178.7-67.6162.2000110.7L145 M265 I266 R271 H272 L273 L315 I335L145-I269 HydrophobicContact CD2-CD1 4.29Å; L145-I269 HydrophobicContact CD2-CG1 4.21Å; M265-I269 HydrophobicContact CG-CD1 3.79Å; M265-I269 WeakPolarHBondContact O-CG1 3.11Å; M265-I269 PolarHBondContact O-N 2.92Å; M265-I269 HydrophobicContact SD-CD1 4.01Å; M265-I269 HydrophobicContact SD-CG1 4.21Å; I266-I269 PolarHBondContact O-N 3.4Å; I269-R271 VanDerWaalsContact C-N 3.32Å; I269-R271 PolarHBondContact O-N 3.19Å; I269-H272 PolarHBondContact O-N 3.43Å; I269-L273 HydrophobicContact CG2-CD1 3.81Å; I269-L273 HydrophobicContact CG2-CG 4.35Å; I269-L273 WeakPolarHBondContact O-CB 3.38Å; I269-L273 WeakPolarHBondContact O-CG 3.42Å; I269-L273 PolarHBondContact O-N 3.12Å; I269-L315 HydrophobicContact CD1-CD1 4.1Å; I269-L315 HydrophobicContact CD1-CD2 3.9Å; I269-L315 HydrophobicContact CG1-CD2 4.06Å; I269-L315 HydrophobicContact CG2-CD1 4.13Å; I269-I335 HydrophobicContact CD1-CD1 3.66Å; I269-I335 HydrophobicContact CD1-CG2 4.47Å
270K98.5Very high98Very high54 Ų5460.6 Ų60.624%0.23529%0.29CS..Hα-helixtrans-55.7-45.7176-79.7-174.9179-166.40112.3I266 K274 L275 S276 I278I266-K270 HydrophobicContact CG2-CD 4.22Å; I266-K270 WeakPolarHBondContact O-CB 3.46Å; I266-K270 WeakPolarHBondContact O-CG 3.48Å; I266-K270 PolarHBondContact O-N 2.85Å; K270-K274 CarbonylContact O-C 3.1Å; K270-K274 VanDerWaalsContact O-CA 3.27Å; K270-K274 WeakPolarHBondContact O-CA 3.19Å; K270-K274 PolarHBondContact O-N 2.87Å; K270-L275 WeakPolarHBondContact CB-O 3.3Å; K270-L275 PolarHBondContact O-N 2.86Å; K270-S276 WeakPolarHBondContact CE-O 3.28Å; K270-S276 PolarHBondContact NZ-O 2.76Å; K270-I278 HydrophobicContact CG-CG2 3.84Å
271R98.5Very high98Very high174 Ų17460.9 Ų60.966%0.65730%0.295SS*.Hα-helixtrans-64.3-43.6178.7-171.8-175.4-57.5103.14.9111.8D267 R268 I269 K274D267-R271 VanDerWaalsContact O-CB 3.32Å; D267-R271 WeakPolarHBondContact O-CB 3.28Å; D267-R271 PolarHBondContact O-N 2.9Å; R268-R271 PolarHBondContact O-N 3.11Å; I269-R271 VanDerWaalsContact C-N 3.32Å; I269-R271 PolarHBondContact O-N 3.19Å; R271-K274 PolarHBondContact O-N 3.04Å
272H98.4Very high98Very high50 Ų5063.7 Ų63.723%0.23131%0.308CS..Hα-helixtrans-65.1-46.3-179.5-179.165.8000111.9W140 R268 I269 K274W140-H272 AromaticContact CD2-NE2 3.88Å; W140-H272 AromaticContact CE2-CE1 3.87Å; W140-H272 AromaticContact CE2-NE2 3.63Å; W140-H272 AromaticContact CZ2-NE2 3.73Å; W140-H272 AromaticContact NE1-CE1 3.92Å; W140-H272 PolarHBondContact O-CE1 3.03Å; W140-H272 PolarHBondContact O-NE2 3.02Å; R268-H272 WeakPolarHBondContact O-CB 3.46Å; R268-H272 PolarHBondContact O-N 2.95Å; I269-H272 PolarHBondContact O-N 3.43Å; H272-K274 VanDerWaalsContact C-N 3.3Å; H272-K274 PolarHBondContact O-N 3.48Å
273L97.5Very high98Very high18 Ų1863.9 Ų63.99%0.09431%0.31CS..Hα-helixtrans-83.5-4.9-180-58.9-177.3000113.6W140 L141 I269 L275 C337 T342W140-L273 HydrophobicContact CH2-CD2 3.56Å; W140-L273 HydrophobicContact CZ2-CD2 4.48Å; W140-L273 HydrophobicContact CZ3-CD2 3.95Å; L141-L273 HydrophobicContact CD1-CD1 4.3Å; L141-L273 HydrophobicContact CD1-CD2 3.77Å; L141-L273 HydrophobicContact CD1-CG 4.43Å; I269-L273 HydrophobicContact CG2-CD1 3.81Å; I269-L273 HydrophobicContact CG2-CG 4.35Å; I269-L273 WeakPolarHBondContact O-CB 3.38Å; I269-L273 WeakPolarHBondContact O-CG 3.42Å; I269-L273 PolarHBondContact O-N 3.12Å; L273-L275 VanDerWaalsContact C-N 3.28Å; L273-L275 HydrophobicContact CB-CD1 3.79Å; L273-L275 HydrophobicContact CB-CG 3.75Å; L273-L275 HydrophobicContact CD1-CD1 3.96Å; L273-L275 PolarHBondContact O-N 3Å; L273-C337 HydrophobicContact CD1-CB 3.72Å; L273-T342 HydrophobicContact CD1-CG2 4.26Å
274K96.6Very high97.9Very high191 Ų19167.7 Ų67.783%0.8333%0.33SS*.THydrogen-bonded Turntrans56.239.9-175.4-54.5174.9-177.6172.30112.9K270 R271 H272K270-K274 CarbonylContact O-C 3.1Å; K270-K274 VanDerWaalsContact O-CA 3.27Å; K270-K274 WeakPolarHBondContact O-CA 3.19Å; K270-K274 PolarHBondContact O-N 2.87Å; R271-K274 PolarHBondContact O-N 3.04Å; H272-K274 VanDerWaalsContact C-N 3.3Å; H272-K274 PolarHBondContact O-N 3.48Å
275L95.9Very high97.9Very high35 Ų3568.7 Ų68.718%0.18335%0.352CS..  trans-101.6139.1-179.9-60.3175.5000111.6K270 L273 I278 C337 N341K270-L275 WeakPolarHBondContact CB-O 3.3Å; K270-L275 PolarHBondContact O-N 2.86Å; L273-L275 VanDerWaalsContact C-N 3.28Å; L273-L275 HydrophobicContact CB-CD1 3.79Å; L273-L275 HydrophobicContact CB-CG 3.75Å; L273-L275 HydrophobicContact CD1-CD1 3.96Å; L273-L275 PolarHBondContact O-N 3Å; L275-I278 HydrophobicContact CD1-CG2 4.32Å; L275-C337 HydrophobicContact CD1-CB 3.9Å; L275-N341 HydrophobicContact CD1-CB 4.28Å; L275-N341 HydrophobicContact CD2-CB 4.24Å
276S95.4Very high97.9Very high87 Ų8773.6 Ų73.661%0.60837%0.371SS*.SBendtrans-78.5-35.2170.750.90000112.2K270K270-S276 WeakPolarHBondContact CE-O 3.28Å; K270-S276 PolarHBondContact NZ-O 2.76Å
277H95.6Very high97.9Very high116 Ų11676.3 Ų76.354%0.53739%0.388SS..  trans-127.4151.4-177.3-53-69.8000111.3
278I97.1Very high97.8Very high31 Ų3176 Ų7616%0.15939%0.386CS..  trans-138.1163.5168.661.5167.5000107.1I266 K270 L275 I335I266-I278 HydrophobicContact CB-CD1 3.98Å; I266-I278 HydrophobicContact CD1-CD1 4.38Å; I266-I278 HydrophobicContact CG1-CD1 3.71Å; I266-I278 HydrophobicContact CG2-CD1 3.5Å; I266-I278 VanDerWaalsContact CG2-CD1 3.5Å; I266-I278 HydrophobicContact CG2-CG1 4.21Å; K270-I278 HydrophobicContact CG-CG2 3.84Å; L275-I278 HydrophobicContact CD1-CG2 4.32Å; I278-I335 HydrophobicContact CB-CG2 4.36Å; I278-I335 HydrophobicContact CD1-CD1 4.09Å; I278-I335 HydrophobicContact CD1-CG1 4.11Å; I278-I335 HydrophobicContact CD1-CG2 3.77Å
279R98.3Very high97.8Very high145 Ų14578.6 Ų78.655%0.54740%0.401SS..EExtended strand (participates in β ladder)trans-102.5134.1172.9-62.616667.4-173.7-0108.7I335 L336 E338R279-I335 WeakPolarHBondContact O-CA 3.43Å; R279-L336 HydrophobicContact CB-CB 4.17Å; R279-L336 PolarHBondContact N-O 3.39Å; R279-L336 PolarHBondContact O-N 3.26Å; R279-E338 WeakPolarHBondContact CD-OE1 3.34Å; R279-E338 IonicContact CZ-OE1 3.07Å; R279-E338 IonicContact NH1-OE1 2.86Å; R279-E338 PolarHBondContact NH1-OE1 2.79Å; R279-E338 VanDerWaalsContact NH1-OE1 3.07Å
280L98.6Very high97.8Very high65 Ų6579.4 Ų79.434%0.3441%0.407SS..EExtended strand (participates in β ladder)trans-125.5130-177.4177.570.5000109.8L262 I266 L282 L288 V334 I335L262-L280 HydrophobicContact CD1-CD1 4.46Å; L262-L280 HydrophobicContact CD2-CD1 4.19Å; L262-L280 HydrophobicContact CD2-CD2 4.35Å; I266-L280 HydrophobicContact CD1-CD1 4.4Å; I266-L280 HydrophobicContact CD1-CD2 3.86Å; L280-L282 HydrophobicContact CD2-CD2 3.9Å; L280-L282 HydrophobicContact CD2-CG 4.13Å; L280-L282 HydrophobicContact CG-CD2 4.41Å; L280-L282 HydrophobicContact CG-CG 4.46Å; L280-L288 HydrophobicContact CD2-CD2 3.59Å; L280-V334 CarbonylContact C-O 3.6Å; L280-V334 WeakPolarHBondContact CA-O 3.33Å; L280-I335 HydrophobicContact CD1-CG1 3.72Å
281A98.7Very high97.8Very high25 Ų2581.8 Ų81.821%0.20742%0.419CS..EExtended strand (participates in β ladder)trans-107.6125.9158.100000108.7I324 N333 V334A281-I324 HydrophobicContact CB-CG2 3.46Å; A281-I324 VanDerWaalsContact CB-CG2 3.46Å; A281-N333 CarbonylContact O-C 3.6Å; A281-N333 WeakPolarHBondContact O-CA 3.38Å; A281-V334 HydrophobicContact CB-CB 4.22Å; A281-V334 PolarHBondContact N-O 3.5Å; A281-V334 PolarHBondContact O-N 3.21Å
282L98.7Very high97.8Very high76 Ų7673.5 Ų73.540%0.39839%0.388SS..PPolyproline II helixtrans-82.2137.1174.7-72.5171.1000109.8L262 L280 L288L262-L282 HydrophobicContact CD2-CD2 3.48Å; L262-L282 VanDerWaalsContact CD2-CD2 3.48Å; L280-L282 HydrophobicContact CD2-CD2 3.9Å; L280-L282 HydrophobicContact CD2-CG 4.13Å; L280-L282 HydrophobicContact CG-CD2 4.41Å; L280-L282 HydrophobicContact CG-CG 4.46Å; L282-L288 HydrophobicContact CD2-CD2 4.46Å
283G98.5Very high97.8Very high4 Ų474.1 Ų74.14%0.04139%0.39CS..PPolyproline II helixtrans-63.1152.6167.800000111.3G285 R286 A328 I332 N333G283-G285 PolarHBondContact O-N 2.84Å; G283-R286 VanDerWaalsContact O-CB 3.27Å; G283-R286 WeakPolarHBondContact O-CB 3.48Å; G283-R286 PolarHBondContact O-N 2.75Å; G283-A328 CarbonylContact C-O 2.89Å; G283-A328 WeakPolarHBondContact CA-O 3.42Å; G283-I332 WeakPolarHBondContact CA-O 3.22Å; G283-N333 PolarHBondContact N-OD1 3.34Å; G283-N333 VanDerWaalsContact N-OD1 3.1Å
284V98.1Very high97.9Very high107 Ų10774.9 Ų74.965%0.64840%0.395SS*.THydrogen-bonded Turntrans-54.2125.5175.6171.70000109.9R286 A328V284-R286 VanDerWaalsContact C-N 3.25Å; V284-R286 PolarHBondContact O-N 3.02Å; V284-A328 WeakPolarHBondContact CG2-O 3.23Å; V284-A328 PolarHBondContact N-O 2.64Å
285G97.5Very high98Very high78 Ų7865.8 Ų65.880%0.80436%0.356SS*.THydrogen-bonded Turntrans74.96.9-178.200000115.1G283G283-G285 PolarHBondContact O-N 2.84Å
286R98.4Very high98.2Very high103 Ų10364.1 Ų64.139%0.38935%0.347SS..  trans-95.9154.3176.7-54.7-56.1-171.31751.5111.9G283 V284 G331 N333G283-R286 VanDerWaalsContact O-CB 3.27Å; G283-R286 WeakPolarHBondContact O-CB 3.48Å; G283-R286 PolarHBondContact O-N 2.75Å; V284-R286 VanDerWaalsContact C-N 3.25Å; V284-R286 PolarHBondContact O-N 3.02Å; R286-G331 WeakPolarHBondContact CG-O 3.22Å; R286-G331 PolarHBondContact NE-O 3.37Å; R286-G331 VanDerWaalsContact NE-O 3.17Å; R286-N333 VanDerWaalsContact CB-OD1 3.32Å; R286-N333 WeakPolarHBondContact CB-OD1 3.23Å
287T98.5Very high98.3Very high75 Ų7560 Ų6046%0.4632%0.318SS..  trans-135.6172.617867.70000109.2E289 S290T287-E289 PolarHBondContact O-N 3.17Å; T287-E289 VanDerWaalsContact O-N 3.16Å; T287-E289 PolarHBondContact OG1-N 3.15Å; T287-S290 PolarHBondContact N-OG 2.97Å; T287-S290 WeakPolarHBondContact O-CB 3.49Å; T287-S290 PolarHBondContact O-N 2.9Å; T287-S290 PolarHBondContact O-OG 2.82Å
288L98.5Very high98.5Very high82 Ų8254.9 Ų54.943%0.42930%0.295SS..THydrogen-bonded Turntrans-62.6-19.6175-63.3-179.9000113.7L262 A263 I266 L280 L282L262-L288 WeakPolarHBondContact CB-O 3.22Å; L262-L288 HydrophobicContact CD2-CD2 4.27Å; L262-L288 HydrophobicContact CG-CD2 4.47Å; L262-L288 PolarHBondContact N-O 2.85Å; A263-L288 HydrophobicContact CB-CB 4.28Å; A263-L288 PolarHBondContact N-O 2.96Å; I266-L288 HydrophobicContact CD1-CD2 3.9Å; L280-L288 HydrophobicContact CD2-CD2 3.59Å; L282-L288 HydrophobicContact CD2-CD2 4.46Å
289E98.4Very high98.5Very high133 Ų13353.6 Ų53.662%0.62129%0.289SS*.THydrogen-bonded Turntrans-90.9-4.3176.1-57.4-53.7157.700113.6T287 Q291T287-E289 PolarHBondContact O-N 3.17Å; T287-E289 VanDerWaalsContact O-N 3.16Å; T287-E289 PolarHBondContact OG1-N 3.15Å; E289-Q291 PolarHBondContact O-N 3.24Å
290S98.4Very high98.5Very high18 Ų1846.8 Ų46.813%0.12626%0.264CS..SBendtrans-60.8138.3175.1-65.40000110.6S261 L262 T287S261-S290 WeakPolarHBondContact CA-O 3.41Å; L262-S290 PolarHBondContact N-O 3.45Å; T287-S290 PolarHBondContact N-OG 2.97Å; T287-S290 WeakPolarHBondContact O-CB 3.49Å; T287-S290 PolarHBondContact O-N 2.9Å; T287-S290 PolarHBondContact O-OG 2.82Å
291Q98.5Very high98.5Very high105 Ų10546.7 Ų46.749%0.49127%0.269SS..EExtended strand (participates in β ladder)trans-74.7137.1179.9-65.8-63.3-51.300111V260 E289V260-Q291 CarbonylContact O-C 3.57Å; V260-Q291 WeakPolarHBondContact O-CA 3.47Å; E289-Q291 PolarHBondContact O-N 3.24Å
292V98.8Very high98.4Very high0 Ų045.5 Ų45.50%026%0.259CS..EExtended strand (participates in β ladder)trans-116.4123.1174.3177.30000107.4L256 S259 V260 L262 M265 V295 D312 L313L256-V292 WeakPolarHBondContact CD1-O 3.22Å; S259-V292 WeakPolarHBondContact CA-O 3.38Å; V260-V292 PolarHBondContact N-O 2.87Å; V260-V292 PolarHBondContact O-N 2.73Å; L262-V292 HydrophobicContact CB-CG2 4.14Å; L262-V292 HydrophobicContact CD1-CG2 4.16Å; M265-V292 HydrophobicContact CE-CG1 4.34Å; V292-V295 HydrophobicContact CG1-CG2 3.59Å; V292-D312 HydrophobicContact CG1-CB 4.28Å; V292-L313 HydrophobicContact CG1-CB 3.92Å; V292-L313 HydrophobicContact CG1-CD2 4.21Å; V292-L313 HydrophobicContact CG2-CB 4.48Å
293K98.7Very high98.3Very high63 Ų6342.8 Ų42.827%0.27425%0.246SC..EExtended strand (participates in β ladder)trans-121.6-40.1176.2-179.359.4165.2-170.60111.3T255 L256 D257 D312T255-K293 HydrophobicContact CG2-CD 4.46Å; T255-K293 HydrophobicContact CG2-CG 4.43Å; L256-K293 HydrophobicContact CB-CD 4.33Å; L256-K293 PolarHBondContact N-O 3.08Å; L256-K293 WeakPolarHBondContact O-CD 3.37Å; L256-K293 WeakPolarHBondContact O-CE 3.22Å; L256-K293 PolarHBondContact O-NZ 2.91Å; D257-K293 PolarHBondContact O-NZ 2.91Å; K293-D312 WeakPolarHBondContact CA-OD2 3.03Å; K293-D312 PolarHBondContact N-OD2 2.81Å
294V98.9Very high98.2Very high34 Ų3446.8 Ų46.821%0.20627%0.274CS..EExtended strand (participates in β ladder)trans-113.2122.4-178.9-176.50000109.4L253 C254 A311 D312 L313L253-V294 HydrophobicContact CD1-CG1 3.64Å; L253-V294 HydrophobicContact CD2-CG1 4.43Å; L253-V294 HydrophobicContact CG-CG1 4.04Å; C254-V294 CarbonylContact O-C 3.58Å; C254-V294 WeakPolarHBondContact O-CA 3.22Å; V294-A311 HydrophobicContact CG1-CB 4.03Å; V294-D312 PolarHBondContact N-OD2 3.23Å; V294-D312 WeakPolarHBondContact O-CB 3.5Å; V294-D312 PolarHBondContact O-N 2.72Å; V294-L313 PolarHBondContact O-N 3.32Å
295V98.9Very high98.2Very high0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-119.1124.5178.4-173.60000108.8L145 C254 M265 V292 L313 L315L145-V295 HydrophobicContact CD1-CB 3.78Å; L145-V295 HydrophobicContact CD1-CG1 3.84Å; L145-V295 HydrophobicContact CD1-CG2 4.13Å; L145-V295 HydrophobicContact CD2-CG1 4.14Å; C254-V295 PolarHBondContact N-O 2.98Å; C254-V295 PolarHBondContact O-N 3.13Å; M265-V295 HydrophobicContact CE-CG2 4.18Å; V292-V295 HydrophobicContact CG1-CG2 3.59Å; V295-L313 CarbonylContact C-O 3.54Å; V295-L313 WeakPolarHBondContact CA-O 3.31Å; V295-L313 HydrophobicContact CG1-CB 4.33Å; V295-L313 HydrophobicContact CG1-CD2 4.07Å; V295-L313 HydrophobicContact CG1-CG 4.11Å; V295-L313 HydrophobicContact CG2-CB 4.31Å; V295-L313 HydrophobicContact CG2-CD2 4.18Å; V295-L315 HydrophobicContact CG1-CB 4.31Å
296A98.9Very high98.3Very high0 Ų038.8 Ų38.80%021%0.209CC..EExtended strand (participates in β ladder)trans-97.2128.3166.700000108.5I153 R252 L253 L306 V309 A311 L313 Y314 L315I153-A296 HydrophobicContact CD1-CB 3.97Å; R252-A296 CarbonylContact O-C 3.6Å; R252-A296 WeakPolarHBondContact O-CA 3.4Å; L253-A296 HydrophobicContact CD1-CB 3.79Å; A296-L306 HydrophobicContact CB-CD2 3.7Å; A296-V309 HydrophobicContact CB-CB 4.28Å; A296-V309 HydrophobicContact CB-CG1 3.63Å; A296-A311 HydrophobicContact CB-CB 3.88Å; A296-L313 PolarHBondContact N-O 3.41Å; A296-Y314 HydrophobicContact CB-CD1 3.77Å; A296-Y314 HydrophobicContact CB-CE1 3.92Å; A296-Y314 CarbonylContact O-C 3.52Å; A296-Y314 VanDerWaalsContact O-CA 3.26Å; A296-Y314 WeakPolarHBondContact O-CA 3.13Å; A296-L315 PolarHBondContact O-N 2.9Å
297L98.7Very high98.1Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-133.3149.5-178.268.990.7000112.7N138 L141 A142 L145 G251 R252 L315N138-L297 HydrophobicContact CB-CD1 4.1Å; N138-L297 WeakPolarHBondContact O-CD1 3.21Å; L141-L297 HydrophobicContact CB-CD1 4.33Å; L141-L297 HydrophobicContact CD2-CD1 4.06Å; L141-L297 HydrophobicContact CG-CD1 4.3Å; A142-L297 HydrophobicContact CB-CD2 3.89Å; L145-L297 HydrophobicContact CD1-CD2 3.61Å; L145-L297 HydrophobicContact CG-CD2 4.39Å; G251-L297 CarbonylContact C-O 3.59Å; G251-L297 WeakPolarHBondContact CA-O 3.31Å; R252-L297 HydrophobicContact CB-CD1 3.93Å; R252-L297 HydrophobicContact CB-CD2 4.34Å; R252-L297 HydrophobicContact CB-CG 3.92Å; R252-L297 HydrophobicContact CG-CD1 4.27Å; R252-L297 PolarHBondContact N-O 3.32Å; R252-L297 PolarHBondContact O-N 3.09Å; L297-L315 CarbonylContact C-O 3.57Å; L297-L315 WeakPolarHBondContact CA-O 3.46Å; L297-L315 HydrophobicContact CB-CB 3.94Å; L297-L315 HydrophobicContact CB-CD2 4.45Å; L297-L315 HydrophobicContact CB-CG 4.35Å; L297-L315 WeakPolarHBondContact CB-O 3.34Å
298C98.7Very high98Very high9 Ų939.5 Ų39.56%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-150.3117.1169.7-173.10000107.4N138 V305 L306 L315 T316N138-C298 WeakPolarHBondContact OD1-CA 3.2Å; C298-V305 HydrophobicContact CB-CB 4.15Å; C298-V305 HydrophobicContact CB-CG1 4Å; C298-L306 HydrophobicContact CB-CD1 4.49Å; C298-L306 HydrophobicContact CB-CD2 4.33Å; C298-L306 HydrophobicContact CB-CG 4.24Å; C298-L315 PolarHBondContact N-O 3.03Å; C298-T316 WeakPolarHBondContact O-CA 3.47Å; C298-T316 WeakPolarHBondContact O-CB 3.47Å; C298-T316 PolarHBondContact O-OG1 2.99Å
299A98.6Very high98Very high4 Ų436.6 Ų36.63%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-58.5156.9170.100000110.6V137 N138 L141 T342 E343V137-A299 HydrophobicContact CG1-CB 3.84Å; V137-A299 HydrophobicContact CG2-CB 3.86Å; N138-A299 PolarHBondContact OD1-N 3.01Å; L141-A299 HydrophobicContact CD2-CB 4.04Å; A299-T342 WeakPolarHBondContact CB-O 3.26Å; A299-E343 HydrophobicContact CB-CG 4Å
300G98.2Very high98Very high1 Ų139.5 Ų39.51%0.0123%0.225CC..EExtended strand (participates in β ladder)trans69.8-132.1-178.500000112.7G302 T316 G317 E318 T342 E343G300-G302 PolarHBondContact O-N 3.18Å; G300-T316 PolarHBondContact O-OG1 2.76Å; G300-G317 CarbonylContact O-C 3.59Å; G300-G317 WeakPolarHBondContact O-CA 3.26Å; G300-G317 PolarHBondContact O-N 2.85Å; G300-E318 PolarHBondContact O-N 3.38Å; G300-T342 PolarHBondContact N-OG1 3.48Å; G300-E343 WeakPolarHBondContact CA-OE1 3.41Å; G300-E343 PolarHBondContact N-OE1 3.02Å
301S97.3Very high98Very high64 Ų6439.3 Ų39.345%0.44822%0.224SC..EExtended strand (participates in β ladder)trans-95.292.4-179.1-1580000112.1H339S301-H339 PolarHBondContact N-CE1 3.48Å
302G97.4Very high98Very high0 Ų036.3 Ų36.30%021%0.211CC..  trans-90.9-0.2-167.900000116.7G300 S304 V305 L306 T316 E318G300-G302 PolarHBondContact O-N 3.18Å; G302-S304 PolarHBondContact O-N 2.98Å; G302-V305 PolarHBondContact O-N 2.88Å; G302-V305 VanDerWaalsContact O-N 3.15Å; G302-L306 WeakPolarHBondContact O-CB 3.34Å; G302-L306 VanDerWaalsContact O-CG 3.3Å; G302-L306 WeakPolarHBondContact O-CG 3.11Å; G302-L306 PolarHBondContact O-N 3.08Å; G302-T316 VanDerWaalsContact CA-OG1 3.25Å; G302-T316 WeakPolarHBondContact CA-OG1 3.48Å; G302-T316 PolarHBondContact N-OG1 2.8Å; G302-E318 PolarHBondContact N-O 2.85Å
303S96.9Very high98Very high19 Ų1936.3 Ų36.313%0.13321%0.211CC..Hα-helixtrans-45.2-56.2-175.1-94.90000113.5V305 L306 Q307 M319 S320 D323S303-V305 PolarHBondContact O-N 3.17Å; S303-L306 PolarHBondContact O-N 3.33Å; S303-Q307 WeakPolarHBondContact O-CB 3.18Å; S303-Q307 PolarHBondContact O-N 2.91Å; S303-Q307 VanDerWaalsContact O-N 3.13Å; S303-M319 WeakPolarHBondContact OG-CA 3.36Å; S303-M319 WeakPolarHBondContact OG-CG 3.27Å; S303-S320 PolarHBondContact OG-N 2.94Å; S303-S320 VanDerWaalsContact OG-N 3.09Å; S303-D323 VanDerWaalsContact CB-OD2 3.24Å; S303-D323 WeakPolarHBondContact CB-OD2 3.5Å; S303-D323 PolarHBondContact OG-OD2 2.86Å
304S96.9Very high98Very high88 Ų8833.6 Ų33.662%0.61520%0.199SC*.Hα-helixtrans-68.8-35-17653.40000113.1G302G302-S304 PolarHBondContact O-N 2.98Å
305V98.1Very high98Very high16 Ų1632 Ų3210%0.09719%0.19CC..Hα-helixtrans-73-36.4-179.2175.50000111.4I153 H154 M250 C298 G302 S303I153-V305 HydrophobicContact CB-CG1 4.36Å; I153-V305 HydrophobicContact CD1-CG1 4.33Å; I153-V305 HydrophobicContact CG2-CG1 4.44Å; I153-V305 WeakPolarHBondContact CG2-O 3.15Å; H154-V305 PolarHBondContact NE2-O 2.79Å; M250-V305 HydrophobicContact CB-CG1 4.3Å; M250-V305 HydrophobicContact CB-CG2 4.15Å; C298-V305 HydrophobicContact CB-CB 4.15Å; C298-V305 HydrophobicContact CB-CG1 4Å; G302-V305 PolarHBondContact O-N 2.88Å; G302-V305 VanDerWaalsContact O-N 3.15Å; S303-V305 PolarHBondContact O-N 3.17Å
306L98.4Very high98Very high0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-88.5-13.6-176.3-61.6177.1000112.9I153 A296 C298 G302 S303 G308 V309 Y314 T316 M319I153-L306 HydrophobicContact CD1-CD2 3.68Å; A296-L306 HydrophobicContact CB-CD2 3.7Å; C298-L306 HydrophobicContact CB-CD1 4.49Å; C298-L306 HydrophobicContact CB-CD2 4.33Å; C298-L306 HydrophobicContact CB-CG 4.24Å; G302-L306 WeakPolarHBondContact O-CB 3.34Å; G302-L306 VanDerWaalsContact O-CG 3.3Å; G302-L306 WeakPolarHBondContact O-CG 3.11Å; G302-L306 PolarHBondContact O-N 3.08Å; S303-L306 PolarHBondContact O-N 3.33Å; L306-G308 PolarHBondContact O-N 2.79Å; L306-V309 WeakPolarHBondContact O-CB 3.27Å; L306-V309 WeakPolarHBondContact O-CG2 3.43Å; L306-V309 PolarHBondContact O-N 2.99Å; L306-V309 VanDerWaalsContact O-N 3.17Å; L306-Y314 HydrophobicContact CB-CD2 4.13Å; L306-Y314 HydrophobicContact CB-CE2 4.11Å; L306-Y314 HydrophobicContact CB-CG 4.41Å; L306-Y314 HydrophobicContact CD1-CD2 4.49Å; L306-Y314 HydrophobicContact CD1-CG 4.3Å; L306-Y314 VanDerWaalsContact O-CZ 3.22Å; L306-Y314 PolarHBondContact O-OH 3.27Å; L306-T316 HydrophobicContact CD1-CG2 4.1Å; L306-M319 HydrophobicContact CB-CE 4.01Å; L306-M319 HydrophobicContact CD1-CE 3.74Å; L306-M319 HydrophobicContact CG-CE 4.48Å
307Q95.5Very high98Very high132 Ų13232.1 Ų32.162%0.61719%0.19SC*.THydrogen-bonded Turntrans-57.4126.3-176.3-166.217632.800112S303 V309S303-Q307 WeakPolarHBondContact O-CB 3.18Å; S303-Q307 PolarHBondContact O-N 2.91Å; S303-Q307 VanDerWaalsContact O-N 3.13Å; Q307-V309 PolarHBondContact O-N 3.48Å
308G95.5Very high97.9Very high61 Ų6135.4 Ų35.463%0.62921%0.206SC*.THydrogen-bonded Turntrans74.14.2177.700000115.9L306L306-G308 PolarHBondContact O-N 2.79Å
309V98.3Very high97.9Very high22 Ų2236 Ų3613%0.13321%0.208CC..  trans-77125.2179.6-179.70000111I153 L253 A296 L306 Q307 A311 Y314I153-V309 HydrophobicContact CD1-CG2 4.45Å; I153-V309 HydrophobicContact CG2-CG2 3.62Å; L253-V309 HydrophobicContact CD1-CG1 3.73Å; A296-V309 HydrophobicContact CB-CB 4.28Å; A296-V309 HydrophobicContact CB-CG1 3.63Å; L306-V309 WeakPolarHBondContact O-CB 3.27Å; L306-V309 WeakPolarHBondContact O-CG2 3.43Å; L306-V309 PolarHBondContact O-N 2.99Å; L306-V309 VanDerWaalsContact O-N 3.17Å; Q307-V309 PolarHBondContact O-N 3.48Å; V309-A311 PolarHBondContact O-N 3.11Å; V309-Y314 HydrophobicContact CB-CE1 4.21Å; V309-Y314 PolarHBondContact N-OH 2.8Å; V309-Y314 WeakPolarHBondContact O-CE1 3.46Å; V309-Y314 PolarHBondContact O-OH 3.32Å
310K98.2Very high97.9Very high194 Ų19438.4 Ų38.484%0.84323%0.225SC*.  trans-76.2112.6175.6-63.8-176.1-179.3-178.90110.6
311A98.6Very high97.8Very high14 Ų1444.5 Ų44.512%0.11625%0.252CS..  trans-151.2166.8176.700000111.3L253 V294 A296 V309 Y314 I332L253-A311 HydrophobicContact CD1-CB 4.31Å; V294-A311 HydrophobicContact CG1-CB 4.03Å; A296-A311 HydrophobicContact CB-CB 3.88Å; V309-A311 PolarHBondContact O-N 3.11Å; A311-Y314 HydrophobicContact CB-CD1 4.19Å; A311-Y314 HydrophobicContact CB-CE1 4.03Å; A311-I332 WeakPolarHBondContact O-CG1 3.33Å
312D98.8Very high97.9Very high41 Ų4147.6 Ų47.622%0.21926%0.26CS..SBendtrans-83.2-26.6171.8-55.9-48.6000111.7V292 K293 V294 N333V292-D312 HydrophobicContact CG1-CB 4.28Å; K293-D312 WeakPolarHBondContact CA-OD2 3.03Å; K293-D312 PolarHBondContact N-OD2 2.81Å; V294-D312 PolarHBondContact N-OD2 3.23Å; V294-D312 WeakPolarHBondContact O-CB 3.5Å; V294-D312 PolarHBondContact O-N 2.72Å; D312-N333 PolarHBondContact O-N 3.06Å; D312-N333 VanDerWaalsContact O-N 3.09Å; D312-N333 PolarHBondContact O-ND2 3.46Å
313L98.9Very high97.9Very high0 Ų049.4 Ų49.40%027%0.269CS..EExtended strand (participates in β ladder)trans-145.6135.6-175.4172.365.7000110.8L262 M265 V292 V294 V295 A296 N333 I335L262-L313 HydrophobicContact CD1-CD1 4.19Å; L262-L313 HydrophobicContact CD1-CD2 4.47Å; M265-L313 HydrophobicContact CG-CD2 3.5Å; V292-L313 HydrophobicContact CG1-CB 3.92Å; V292-L313 HydrophobicContact CG1-CD2 4.21Å; V292-L313 HydrophobicContact CG2-CB 4.48Å; V294-L313 PolarHBondContact O-N 3.32Å; V295-L313 CarbonylContact C-O 3.54Å; V295-L313 WeakPolarHBondContact CA-O 3.31Å; V295-L313 HydrophobicContact CG1-CB 4.33Å; V295-L313 HydrophobicContact CG1-CD2 4.07Å; V295-L313 HydrophobicContact CG1-CG 4.11Å; V295-L313 HydrophobicContact CG2-CB 4.31Å; V295-L313 HydrophobicContact CG2-CD2 4.18Å; A296-L313 PolarHBondContact N-O 3.41Å; L313-N333 CarbonylContact C-O 3.55Å; L313-N333 WeakPolarHBondContact CA-O 3.13Å; L313-N333 HydrophobicContact CD1-CB 3.86Å; L313-I335 HydrophobicContact CD1-CB 4.24Å; L313-I335 HydrophobicContact CD1-CD1 3.8Å; L313-I335 HydrophobicContact CD1-CG1 3.76Å; L313-I335 HydrophobicContact CD2-CD1 4.02Å
314Y98.9Very high98Very high7 Ų749.9 Ų49.93%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-99135.4162.7-71.8-2.9000110.3A296 L306 V309 A311 M319 A327 I332 N333 V334 I335A296-Y314 HydrophobicContact CB-CD1 3.77Å; A296-Y314 HydrophobicContact CB-CE1 3.92Å; A296-Y314 CarbonylContact O-C 3.52Å; A296-Y314 VanDerWaalsContact O-CA 3.26Å; A296-Y314 WeakPolarHBondContact O-CA 3.13Å; L306-Y314 HydrophobicContact CB-CD2 4.13Å; L306-Y314 HydrophobicContact CB-CE2 4.11Å; L306-Y314 HydrophobicContact CB-CG 4.41Å; L306-Y314 HydrophobicContact CD1-CD2 4.49Å; L306-Y314 HydrophobicContact CD1-CG 4.3Å; L306-Y314 VanDerWaalsContact O-CZ 3.22Å; L306-Y314 PolarHBondContact O-OH 3.27Å; V309-Y314 HydrophobicContact CB-CE1 4.21Å; V309-Y314 PolarHBondContact N-OH 2.8Å; V309-Y314 WeakPolarHBondContact O-CE1 3.46Å; V309-Y314 PolarHBondContact O-OH 3.32Å; A311-Y314 HydrophobicContact CB-CD1 4.19Å; A311-Y314 HydrophobicContact CB-CE1 4.03Å; Y314-M319 HydrophobicContact CD2-CE 3.85Å; Y314-M319 HydrophobicContact CD2-SD 4.42Å; Y314-A327 HydrophobicContact CD2-CB 3.93Å; Y314-A327 HydrophobicContact CE2-CB 3.79Å; Y314-I332 HydrophobicContact CD1-CG2 3.65Å; Y314-I332 HydrophobicContact CD2-CG2 4.21Å; Y314-I332 HydrophobicContact CE1-CD1 4.01Å; Y314-I332 HydrophobicContact CE1-CG2 3.83Å; Y314-I332 HydrophobicContact CE2-CD1 4.37Å; Y314-I332 HydrophobicContact CE2-CG2 4.37Å; Y314-I332 HydrophobicContact CG-CG2 3.87Å; Y314-N333 PolarHBondContact N-O 3.34Å; Y314-V334 HydrophobicContact CD2-CG2 4.34Å; Y314-I335 PolarHBondContact O-N 2.98Å
315L98.9Very high98.1Very high1 Ų149.9 Ų49.91%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-126.7118.3174.1171.660.5000110L141 L145 I269 V295 A296 L297 C298 I335L141-L315 HydrophobicContact CD1-CD2 4.19Å; L141-L315 HydrophobicContact CD2-CD2 4.41Å; L141-L315 HydrophobicContact CD2-CG 4.44Å; L141-L315 HydrophobicContact CG-CD2 4.15Å; L145-L315 HydrophobicContact CD2-CD2 3.88Å; I269-L315 HydrophobicContact CD1-CD1 4.1Å; I269-L315 HydrophobicContact CD1-CD2 3.9Å; I269-L315 HydrophobicContact CG1-CD2 4.06Å; I269-L315 HydrophobicContact CG2-CD1 4.13Å; V295-L315 HydrophobicContact CG1-CB 4.31Å; A296-L315 PolarHBondContact O-N 2.9Å; L297-L315 CarbonylContact C-O 3.57Å; L297-L315 WeakPolarHBondContact CA-O 3.46Å; L297-L315 HydrophobicContact CB-CB 3.94Å; L297-L315 HydrophobicContact CB-CD2 4.45Å; L297-L315 HydrophobicContact CB-CG 4.35Å; L297-L315 WeakPolarHBondContact CB-O 3.34Å; C298-L315 PolarHBondContact N-O 3.03Å; L315-I335 HydrophobicContact CD1-CB 4.09Å; L315-I335 HydrophobicContact CD1-CG2 3.65Å
316T98.9Very high98.1Very high0 Ų053.2 Ų53.20%028%0.28CS..EExtended strand (participates in β ladder)trans-151.1172.4175.9-171.10000111.4C298 G300 G302 L306 E318 M319 I335 L336 C337C298-T316 WeakPolarHBondContact O-CA 3.47Å; C298-T316 WeakPolarHBondContact O-CB 3.47Å; C298-T316 PolarHBondContact O-OG1 2.99Å; G300-T316 PolarHBondContact O-OG1 2.76Å; G302-T316 VanDerWaalsContact CA-OG1 3.25Å; G302-T316 WeakPolarHBondContact CA-OG1 3.48Å; G302-T316 PolarHBondContact N-OG1 2.8Å; L306-T316 HydrophobicContact CD1-CG2 4.1Å; T316-E318 VanDerWaalsContact CG2-O 3.28Å; T316-E318 WeakPolarHBondContact CG2-O 3.39Å; T316-M319 HydrophobicContact CG2-CB 4.12Å; T316-M319 HydrophobicContact CG2-CE 4.2Å; T316-I335 PolarHBondContact N-O 3.2Å; T316-I335 VanDerWaalsContact N-O 3.12Å; T316-L336 HydrophobicContact CG2-CD2 3.45Å; T316-L336 VanDerWaalsContact CG2-CD2 3.45Å; T316-L336 VanDerWaalsContact O-CA 3.32Å; T316-L336 WeakPolarHBondContact O-CA 3.39Å; T316-C337 PolarHBondContact O-N 2.93Å
317G98.4Very high98.1Very high1 Ų153.4 Ų53.41%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-73.2-53170.900000110.1G300 E338G300-G317 CarbonylContact O-C 3.59Å; G300-G317 WeakPolarHBondContact O-CA 3.26Å; G300-G317 PolarHBondContact O-N 2.85Å; G317-E338 VanDerWaalsContact CA-C 3.44Å; G317-E338 WeakPolarHBondContact CA-O 3.34Å; G317-E338 VanDerWaalsContact O-CA 3.31Å; G317-E338 WeakPolarHBondContact O-CA 3.45Å; G317-E338 PolarHBondContact O-N 3.39Å
318E97.5Very high98.2Very high70 Ų7047.7 Ų47.733%0.32726%0.257SS..EExtended strand (participates in β ladder)trans-133.6145.1-174.2-59.9177.7151.200112.6G300 G302 T316 H339G300-E318 PolarHBondContact O-N 3.38Å; G302-E318 PolarHBondContact N-O 2.85Å; T316-E318 VanDerWaalsContact CG2-O 3.28Å; T316-E318 WeakPolarHBondContact CG2-O 3.39Å; E318-H339 VanDerWaalsContact CD-ND1 3.28Å; E318-H339 HydrophobicContact CG-CB 3.93Å; E318-H339 IonicContact OE1-ND1 2.76Å; E318-H339 IonicContact OE2-CE1 2.69Å; E318-H339 IonicContact OE2-CG 3.9Å; E318-H339 IonicContact OE2-ND1 3.13Å; E318-H339 PolarHBondContact OE2-ND1 2.79Å
319M97.9Very high98.3Very high22 Ų2248.5 Ų48.511%0.10825%0.253CS..  trans-148.7144173.3-172.3170.2-84.300109.4S303 L306 Y314 T316 D323 I324 V334 L336S303-M319 WeakPolarHBondContact OG-CA 3.36Å; S303-M319 WeakPolarHBondContact OG-CG 3.27Å; L306-M319 HydrophobicContact CB-CE 4.01Å; L306-M319 HydrophobicContact CD1-CE 3.74Å; L306-M319 HydrophobicContact CG-CE 4.48Å; Y314-M319 HydrophobicContact CD2-CE 3.85Å; Y314-M319 HydrophobicContact CD2-SD 4.42Å; T316-M319 HydrophobicContact CG2-CB 4.12Å; T316-M319 HydrophobicContact CG2-CE 4.2Å; M319-D323 HydrophobicContact CG-CB 3.61Å; M319-D323 HydrophobicContact SD-CB 4.06Å; M319-I324 HydrophobicContact CB-CD1 4.33Å; M319-I324 HydrophobicContact CB-CG1 3.91Å; M319-I324 HydrophobicContact CG-CG1 3.77Å; M319-I324 HydrophobicContact SD-CG1 3.94Å; M319-V334 HydrophobicContact SD-CG1 3.91Å; M319-V334 HydrophobicContact SD-CG2 4.47Å; M319-L336 HydrophobicContact CB-CD1 4.47Å; M319-L336 HydrophobicContact CB-CD2 3.67Å
320S97.8Very high98.3Very high54 Ų5453.5 Ų53.538%0.37828%0.275SS..  trans-68154.3178.688.60000111.7S303 H322 D323 I324S303-S320 PolarHBondContact OG-N 2.94Å; S303-S320 VanDerWaalsContact OG-N 3.09Å; S320-H322 VanDerWaalsContact C-N 3.31Å; S320-H322 PolarHBondContact O-N 2.82Å; S320-D323 WeakPolarHBondContact CB-OD2 3.5Å; S320-D323 PolarHBondContact O-N 2.64Å; S320-D323 PolarHBondContact OG-N 2.82Å; S320-D323 PolarHBondContact OG-OD2 2.83Å; S320-I324 VanDerWaalsContact O-CG1 3.29Å; S320-I324 WeakPolarHBondContact O-CG1 3.46Å; S320-I324 PolarHBondContact O-N 2.99Å
321H97.6Very high98.3Very high128 Ų12844.8 Ų44.859%0.59324%0.24SC*.Hα-helixtrans-55.9-43.7-179.5178.369.4000113.1I324 L325H321-I324 PolarHBondContact O-N 2.82Å; H321-L325 WeakPolarHBondContact NE2-CD1 3.33Å; H321-L325 WeakPolarHBondContact O-CG 3.34Å; H321-L325 PolarHBondContact O-N 3.32Å; H321-L325 VanDerWaalsContact O-N 3.1Å
322H97.8Very high98.3Very high130 Ų13044.5 Ų44.560%0.60224%0.236SC*.Hα-helixtrans-69.3-39.1-179.5-73.2-67.9000112.1S320 I324 L325 D326S320-H322 VanDerWaalsContact C-N 3.31Å; S320-H322 PolarHBondContact O-N 2.82Å; H322-I324 VanDerWaalsContact C-N 3.29Å; H322-I324 PolarHBondContact O-N 2.85Å; H322-L325 PolarHBondContact O-N 3.2Å; H322-D326 WeakPolarHBondContact O-CB 3.32Å; H322-D326 PolarHBondContact O-N 3.26Å
323D98.3Very high98.3Very high37 Ų3742.6 Ų42.620%0.19823%0.226CC..Hα-helixtrans-63.8-36.7176.1-61.5-39.1000111.8S303 M319 S320 D326 A327S303-D323 VanDerWaalsContact CB-OD2 3.24Å; S303-D323 WeakPolarHBondContact CB-OD2 3.5Å; S303-D323 PolarHBondContact OG-OD2 2.86Å; M319-D323 HydrophobicContact CG-CB 3.61Å; M319-D323 HydrophobicContact SD-CB 4.06Å; S320-D323 WeakPolarHBondContact CB-OD2 3.5Å; S320-D323 PolarHBondContact O-N 2.64Å; S320-D323 PolarHBondContact OG-N 2.82Å; S320-D323 PolarHBondContact OG-OD2 2.83Å; D323-D326 PolarHBondContact O-N 3.08Å; D323-A327 WeakPolarHBondContact O-CB 3.47Å; D323-A327 PolarHBondContact O-N 3.1Å
324I98.6Very high98.3Very high30 Ų3042.6 Ų42.615%0.15423%0.227CC..Hα-helixtrans-64-46.2174.5-63.3162000110.5A281 M319 S320 H321 H322 D326 A327 A328 L336A281-I324 HydrophobicContact CB-CG2 3.46Å; A281-I324 VanDerWaalsContact CB-CG2 3.46Å; M319-I324 HydrophobicContact CB-CD1 4.33Å; M319-I324 HydrophobicContact CB-CG1 3.91Å; M319-I324 HydrophobicContact CG-CG1 3.77Å; M319-I324 HydrophobicContact SD-CG1 3.94Å; S320-I324 VanDerWaalsContact O-CG1 3.29Å; S320-I324 WeakPolarHBondContact O-CG1 3.46Å; S320-I324 PolarHBondContact O-N 2.99Å; H321-I324 PolarHBondContact O-N 2.82Å; H322-I324 VanDerWaalsContact C-N 3.29Å; H322-I324 PolarHBondContact O-N 2.85Å; I324-D326 VanDerWaalsContact C-N 3.33Å; I324-D326 PolarHBondContact O-N 2.98Å; I324-A327 PolarHBondContact O-N 2.88Å; I324-A328 VanDerWaalsContact O-CB 3.25Å; I324-A328 WeakPolarHBondContact O-CB 2.98Å; I324-A328 PolarHBondContact O-N 3.38Å; I324-L336 HydrophobicContact CD1-CD1 3.72Å; I324-L336 HydrophobicContact CG1-CD1 4.48Å
325L98.3Very high98.3Very high88 Ų8842.3 Ų42.346%0.46123%0.225SC..Hα-helixtrans-61.2-43.9177.9-72.7178.7000111.4H321 H322 A328 S329H321-L325 WeakPolarHBondContact NE2-CD1 3.33Å; H321-L325 WeakPolarHBondContact O-CG 3.34Å; H321-L325 PolarHBondContact O-N 3.32Å; H321-L325 VanDerWaalsContact O-N 3.1Å; H322-L325 PolarHBondContact O-N 3.2Å; L325-A328 PolarHBondContact O-N 2.67Å; L325-S329 WeakPolarHBondContact O-CB 3.48Å; L325-S329 PolarHBondContact O-N 3.41Å
326D98.2Very high98.3Very high85 Ų8542.8 Ų42.846%0.45523%0.228SC..Hα-helixtrans-63.4-47.2179.4-74.3-11.1000111H322 D323 I324 S329 Q330H322-D326 WeakPolarHBondContact O-CB 3.32Å; H322-D326 PolarHBondContact O-N 3.26Å; D323-D326 PolarHBondContact O-N 3.08Å; I324-D326 VanDerWaalsContact C-N 3.33Å; I324-D326 PolarHBondContact O-N 2.98Å; D326-S329 PolarHBondContact O-N 2.96Å; D326-S329 PolarHBondContact O-OG 3.18Å; D326-Q330 WeakPolarHBondContact O-CG 3.19Å; D326-Q330 PolarHBondContact O-N 3.47Å
327A98.4Very high98.2Very high4 Ų443 Ų433%0.03323%0.229CC..Hα-helixtrans-60.8-47.3175.500000111.7Y314 D323 I324 S329 Q330 I332 V334Y314-A327 HydrophobicContact CD2-CB 3.93Å; Y314-A327 HydrophobicContact CE2-CB 3.79Å; D323-A327 WeakPolarHBondContact O-CB 3.47Å; D323-A327 PolarHBondContact O-N 3.1Å; I324-A327 PolarHBondContact O-N 2.88Å; A327-S329 VanDerWaalsContact C-N 3.32Å; A327-S329 PolarHBondContact O-N 3.46Å; A327-Q330 WeakPolarHBondContact O-CB 3.01Å; A327-Q330 PolarHBondContact O-N 3.27Å; A327-Q330 VanDerWaalsContact O-N 3.11Å; A327-I332 HydrophobicContact CB-CB 4.31Å; A327-I332 VanDerWaalsContact O-CB 3.32Å; A327-I332 WeakPolarHBondContact O-CB 3.35Å; A327-I332 PolarHBondContact O-N 2.8Å; A327-I332 VanDerWaalsContact O-N 3.11Å; A327-V334 HydrophobicContact CB-CG2 3.77Å
328A98.3Very high98.2Very high13 Ų1344.6 Ų44.611%0.10724%0.236CC..Hα-helixtrans-61.8-40.3179.200000112G283 V284 I324 L325 Q330 G331 I332G283-A328 CarbonylContact C-O 2.89Å; G283-A328 WeakPolarHBondContact CA-O 3.42Å; V284-A328 WeakPolarHBondContact CG2-O 3.23Å; V284-A328 PolarHBondContact N-O 2.64Å; I324-A328 VanDerWaalsContact O-CB 3.25Å; I324-A328 WeakPolarHBondContact O-CB 2.98Å; I324-A328 PolarHBondContact O-N 3.38Å; L325-A328 PolarHBondContact O-N 2.67Å; A328-Q330 PolarHBondContact O-N 2.83Å; A328-G331 PolarHBondContact O-N 3.25Å; A328-I332 WeakPolarHBondContact CA-O 3.39Å
329S98.2Very high98.2Very high78 Ų7843.4 Ų43.455%0.54523%0.231SC..Hα-helixtrans-60.3-29.3177.181.20000112.9L325 D326 A327 G331L325-S329 WeakPolarHBondContact O-CB 3.48Å; L325-S329 PolarHBondContact O-N 3.41Å; D326-S329 PolarHBondContact O-N 2.96Å; D326-S329 PolarHBondContact O-OG 3.18Å; A327-S329 VanDerWaalsContact C-N 3.32Å; A327-S329 PolarHBondContact O-N 3.46Å; S329-G331 PolarHBondContact O-N 3.34Å
330Q98.1Very high98Very high127 Ų12742.7 Ų42.759%0.59323%0.228SC*.THydrogen-bonded Turntrans-84.44.8176.4-64173.235.500112.8D326 A327 A328 I332D326-Q330 WeakPolarHBondContact O-CG 3.19Å; D326-Q330 PolarHBondContact O-N 3.47Å; A327-Q330 WeakPolarHBondContact O-CB 3.01Å; A327-Q330 PolarHBondContact O-N 3.27Å; A327-Q330 VanDerWaalsContact O-N 3.11Å; A328-Q330 PolarHBondContact O-N 2.83Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 HydrophobicContact CB-CD1 4.26Å; Q330-I332 HydrophobicContact CB-CG1 4.15Å
331G98.2Very high97.9Very high11 Ų1142 Ų4211%0.11322%0.22CC..THydrogen-bonded Turntrans78.114.6-179.200000114.1R286 A328 S329R286-G331 WeakPolarHBondContact CG-O 3.22Å; R286-G331 PolarHBondContact NE-O 3.37Å; R286-G331 VanDerWaalsContact NE-O 3.17Å; A328-G331 PolarHBondContact O-N 3.25Å; S329-G331 PolarHBondContact O-N 3.34Å
332I98.8Very high98Very high7 Ų736 Ų364%0.03619%0.192CC..  trans-88.6130.5177.4-50.8179.8000108.6G283 A311 Y314 A327 A328 Q330G283-I332 WeakPolarHBondContact CA-O 3.22Å; A311-I332 WeakPolarHBondContact O-CG1 3.33Å; Y314-I332 HydrophobicContact CD1-CG2 3.65Å; Y314-I332 HydrophobicContact CD2-CG2 4.21Å; Y314-I332 HydrophobicContact CE1-CD1 4.01Å; Y314-I332 HydrophobicContact CE1-CG2 3.83Å; Y314-I332 HydrophobicContact CE2-CD1 4.37Å; Y314-I332 HydrophobicContact CE2-CG2 4.37Å; Y314-I332 HydrophobicContact CG-CG2 3.87Å; A327-I332 HydrophobicContact CB-CB 4.31Å; A327-I332 VanDerWaalsContact O-CB 3.32Å; A327-I332 WeakPolarHBondContact O-CB 3.35Å; A327-I332 PolarHBondContact O-N 2.8Å; A327-I332 VanDerWaalsContact O-N 3.11Å; A328-I332 WeakPolarHBondContact CA-O 3.39Å; Q330-I332 VanDerWaalsContact C-N 3.31Å; Q330-I332 HydrophobicContact CB-CD1 4.26Å; Q330-I332 HydrophobicContact CB-CG1 4.15Å
333N98.8Very high98Very high1 Ų130 Ų301%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-79.3149.1172-54.2-72.6000109.6L262 A281 G283 R286 D312 L313 Y314L262-N333 HydrophobicContact CD1-CB 4.31Å; L262-N333 HydrophobicContact CD2-CB 4.15Å; A281-N333 CarbonylContact O-C 3.6Å; A281-N333 WeakPolarHBondContact O-CA 3.38Å; G283-N333 PolarHBondContact N-OD1 3.34Å; G283-N333 VanDerWaalsContact N-OD1 3.1Å; R286-N333 VanDerWaalsContact CB-OD1 3.32Å; R286-N333 WeakPolarHBondContact CB-OD1 3.23Å; D312-N333 PolarHBondContact O-N 3.06Å; D312-N333 VanDerWaalsContact O-N 3.09Å; D312-N333 PolarHBondContact O-ND2 3.46Å; L313-N333 CarbonylContact C-O 3.55Å; L313-N333 WeakPolarHBondContact CA-O 3.13Å; L313-N333 HydrophobicContact CD1-CB 3.86Å; Y314-N333 PolarHBondContact N-O 3.34Å
334V98.9Very high97.9Very high1 Ų130.3 Ų30.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-127.6122.6176.8-173.60000109.5L280 A281 Y314 M319 A327 L336L280-V334 CarbonylContact C-O 3.6Å; L280-V334 WeakPolarHBondContact CA-O 3.33Å; A281-V334 HydrophobicContact CB-CB 4.22Å; A281-V334 PolarHBondContact N-O 3.5Å; A281-V334 PolarHBondContact O-N 3.21Å; Y314-V334 HydrophobicContact CD2-CG2 4.34Å; M319-V334 HydrophobicContact SD-CG1 3.91Å; M319-V334 HydrophobicContact SD-CG2 4.47Å; A327-V334 HydrophobicContact CB-CG2 3.77Å; V334-L336 HydrophobicContact CG1-CD2 3.83Å; V334-L336 HydrophobicContact CG1-CG 4.21Å
335I98.9Very high97.8Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-105.5125.3169.8-70.8171.8000108.7L262 I266 I269 I278 R279 L280 L313 Y314 L315 T316L262-I335 HydrophobicContact CD1-CD1 4.27Å; I266-I335 HydrophobicContact CG1-CD1 3.69Å; I269-I335 HydrophobicContact CD1-CD1 3.66Å; I269-I335 HydrophobicContact CD1-CG2 4.47Å; I278-I335 HydrophobicContact CB-CG2 4.36Å; I278-I335 HydrophobicContact CD1-CD1 4.09Å; I278-I335 HydrophobicContact CD1-CG1 4.11Å; I278-I335 HydrophobicContact CD1-CG2 3.77Å; R279-I335 WeakPolarHBondContact O-CA 3.43Å; L280-I335 HydrophobicContact CD1-CG1 3.72Å; L313-I335 HydrophobicContact CD1-CB 4.24Å; L313-I335 HydrophobicContact CD1-CD1 3.8Å; L313-I335 HydrophobicContact CD1-CG1 3.76Å; L313-I335 HydrophobicContact CD2-CD1 4.02Å; Y314-I335 PolarHBondContact O-N 2.98Å; L315-I335 HydrophobicContact CD1-CB 4.09Å; L315-I335 HydrophobicContact CD1-CG2 3.65Å; T316-I335 PolarHBondContact N-O 3.2Å; T316-I335 VanDerWaalsContact N-O 3.12Å
336L98.7Very high97.9Very high12 Ų1226.5 Ų26.56%0.06315%0.151CC..EExtended strand (participates in β ladder)trans-112.3131.5171.7-52.3177.7000109.7R279 T316 M319 I324 V334R279-L336 HydrophobicContact CB-CB 4.17Å; R279-L336 PolarHBondContact N-O 3.39Å; R279-L336 PolarHBondContact O-N 3.26Å; T316-L336 HydrophobicContact CG2-CD2 3.45Å; T316-L336 VanDerWaalsContact CG2-CD2 3.45Å; T316-L336 VanDerWaalsContact O-CA 3.32Å; T316-L336 WeakPolarHBondContact O-CA 3.39Å; M319-L336 HydrophobicContact CB-CD1 4.47Å; M319-L336 HydrophobicContact CB-CD2 3.67Å; I324-L336 HydrophobicContact CD1-CD1 3.72Å; I324-L336 HydrophobicContact CG1-CD1 4.48Å; V334-L336 HydrophobicContact CG1-CD2 3.83Å; V334-L336 HydrophobicContact CG1-CG 4.21Å
337C97.7Very high97.9Very high3 Ų322.4 Ų22.42%0.0213%0.13CC..  trans-117.29.3-177-68.90000113.5L273 L275 T316 N341 T342L273-C337 HydrophobicContact CD1-CB 3.72Å; L275-C337 HydrophobicContact CD1-CB 3.9Å; T316-C337 PolarHBondContact O-N 2.93Å; C337-N341 WeakPolarHBondContact O-CB 3.3Å; C337-N341 PolarHBondContact O-ND2 3.44Å; C337-T342 HydrophobicContact CB-CG2 3.55Å
338E96.7Very high97.8Very high35 Ų3524.4 Ų24.416%0.16414%0.143CC..  trans67.1154.1-168.6-48.2-60.1144.500112.5R279 G317 L374R279-E338 WeakPolarHBondContact CD-OE1 3.34Å; R279-E338 IonicContact CZ-OE1 3.07Å; R279-E338 IonicContact NH1-OE1 2.86Å; R279-E338 PolarHBondContact NH1-OE1 2.79Å; R279-E338 VanDerWaalsContact NH1-OE1 3.07Å; G317-E338 VanDerWaalsContact CA-C 3.44Å; G317-E338 WeakPolarHBondContact CA-O 3.34Å; G317-E338 VanDerWaalsContact O-CA 3.31Å; G317-E338 WeakPolarHBondContact O-CA 3.45Å; G317-E338 PolarHBondContact O-N 3.39Å; E338-L374 WeakPolarHBondContact OE2-CD1 3.45Å
339H97.2Very high97.8Very high46 Ų4626.1 Ų26.121%0.21315%0.151CC..THydrogen-bonded Turntrans-57.4-70.1-164.5-156.7114.5000112.4H93 S301 E318 N341 T342 E343H93-H339 AromaticContact CE1-CD2 3.65Å; H93-H339 AromaticContact CE1-NE2 3.76Å; H93-H339 AromaticContact NE2-CD2 3.91Å; H93-H339 AromaticContact NE2-NE2 3.66Å; S301-H339 PolarHBondContact N-CE1 3.48Å; E318-H339 VanDerWaalsContact CD-ND1 3.28Å; E318-H339 HydrophobicContact CG-CB 3.93Å; E318-H339 IonicContact OE1-ND1 2.76Å; E318-H339 IonicContact OE2-CE1 2.69Å; E318-H339 IonicContact OE2-CG 3.9Å; E318-H339 IonicContact OE2-ND1 3.13Å; E318-H339 PolarHBondContact OE2-ND1 2.79Å; H339-N341 PolarHBondContact O-N 2.79Å; H339-T342 PolarHBondContact O-N 2.8Å; H339-T342 VanDerWaalsContact O-N 3.1Å; H339-T342 PolarHBondContact O-OG1 3.34Å; H339-E343 IonicContact CD2-OE1 2.71Å; H339-E343 PolarHBondContact CD2-OE1 2.71Å; H339-E343 IonicContact CD2-OE2 3.04Å; H339-E343 PolarHBondContact CD2-OE2 3.39Å; H339-E343 IonicContact NE2-OE1 3.79Å; H339-E343 PolarHBondContact NE2-OE1 2.9Å
340S94.9Very high97.8Very high6 Ų622.4 Ų22.44%0.04213%0.125CC..G310 helixtrans-70.4-21.3-172.2-45.60000112.4D72 T342 E343 R344D72-S340 PolarHBondContact OD2-OG 3.19Å; S340-T342 PolarHBondContact O-N 3.48Å; S340-E343 PolarHBondContact O-N 2.98Å; S340-E343 VanDerWaalsContact O-N 3.12Å; S340-R344 WeakPolarHBondContact O-CB 3.38Å; S340-R344 PolarHBondContact O-N 3.12Å
341N95.9Very high97.9Very high41 Ų4120.5 Ų20.522%0.21911%0.112CC..G310 helixtrans-64.7-29.4174.5-74.1-21.8000112.9L275 C337 H339 E343L275-N341 HydrophobicContact CD1-CB 4.28Å; L275-N341 HydrophobicContact CD2-CB 4.24Å; C337-N341 WeakPolarHBondContact O-CB 3.3Å; C337-N341 PolarHBondContact O-ND2 3.44Å; H339-N341 PolarHBondContact O-N 2.79Å; N341-E343 PolarHBondContact O-N 3.09Å
342T98.2Very high97.9Very high0 Ų023.8 Ų23.80%013%0.127CC..G310 helixtrans-82.91.1174.660.60000113.9W140 L273 A299 G300 C337 H339 S340W140-T342 WeakPolarHBondContact CZ3-O 3.03Å; L273-T342 HydrophobicContact CD1-CG2 4.26Å; A299-T342 WeakPolarHBondContact CB-O 3.26Å; G300-T342 PolarHBondContact N-OG1 3.48Å; C337-T342 HydrophobicContact CB-CG2 3.55Å; H339-T342 PolarHBondContact O-N 2.8Å; H339-T342 VanDerWaalsContact O-N 3.1Å; H339-T342 PolarHBondContact O-OG1 3.34Å; S340-T342 PolarHBondContact O-N 3.48Å
343E98.3Very high97.8Very high5 Ų526 Ų262%0.02314%0.138CC..THydrogen-bonded Turntrans-127.4-52.5-173.4-61.8162.6164.800112.5N71 H93 V137 A299 G300 H339 S340 N341 G345 F346N71-E343 PolarHBondContact ND2-OE2 2.95Å; N71-E343 WeakPolarHBondContact OD1-CB 3.01Å; H93-E343 IonicContact CE1-OE2 2.87Å; H93-E343 PolarHBondContact CE1-OE2 2.89Å; H93-E343 IonicContact NE2-OE1 2.73Å; H93-E343 IonicContact NE2-OE2 3.89Å; H93-E343 PolarHBondContact NE2-OE2 3.41Å; H93-E343 VanDerWaalsContact NE2-OE2 3.09Å; V137-E343 HydrophobicContact CG2-CB 4.25Å; V137-E343 HydrophobicContact CG2-CG 4.29Å; A299-E343 HydrophobicContact CB-CG 4Å; G300-E343 WeakPolarHBondContact CA-OE1 3.41Å; G300-E343 PolarHBondContact N-OE1 3.02Å; H339-E343 IonicContact CD2-OE1 2.71Å; H339-E343 PolarHBondContact CD2-OE1 2.71Å; H339-E343 IonicContact CD2-OE2 3.04Å; H339-E343 PolarHBondContact CD2-OE2 3.39Å; H339-E343 IonicContact NE2-OE1 3.79Å; H339-E343 PolarHBondContact NE2-OE1 2.9Å; S340-E343 PolarHBondContact O-N 2.98Å; S340-E343 VanDerWaalsContact O-N 3.12Å; N341-E343 PolarHBondContact O-N 3.09Å; E343-G345 PolarHBondContact O-N 2.81Å; E343-F346 WeakPolarHBondContact O-CA 3.37Å; E343-F346 WeakPolarHBondContact O-CB 3.43Å; E343-F346 PolarHBondContact O-N 3.22Å
344R97.3Very high97.8Very high44 Ų4426 Ų2617%0.16614%0.138CC..THydrogen-bonded Turntrans-53.7-37-170-174.4-177.3-63.4100.95.2113.6N71 D72 S340 F346 L347 D370 R371 D372N71-R344 HydrophobicContact CB-CB 4.27Å; N71-R344 HydrophobicContact CB-CG 4.35Å; D72-R344 IonicContact OD2-NH2 3.54Å; S340-R344 WeakPolarHBondContact O-CB 3.38Å; S340-R344 PolarHBondContact O-N 3.12Å; R344-F346 PolarHBondContact O-N 3.01Å; R344-L347 WeakPolarHBondContact O-CB 3.27Å; R344-L347 PolarHBondContact O-N 3.18Å; R344-D370 IonicContact CZ-OD1 3.98Å; R344-D370 IonicContact NE-OD1 3.56Å; R344-D370 PolarHBondContact NE-OD1 3.46Å; R344-D370 IonicContact NE-OD2 2.76Å; R344-D370 IonicContact NH2-OD1 3.81Å; R344-D370 PolarHBondContact NH2-OD1 3.33Å; R344-D370 VanDerWaalsContact NH2-OD1 3.13Å; R344-R371 VanDerWaalsContact CZ-C 3.42Å; R344-R371 PolarHBondContact NH2-O 3.08Å; R344-R371 VanDerWaalsContact NH2-O 3.13Å; R344-D372 VanDerWaalsContact CZ-N 3.33Å
345G97Very high97.7Very high35 Ų3526.2 Ų26.236%0.36114%0.14SC..THydrogen-bonded Turntrans-60.4-27.4177.900000113.4W140 E343 L347 S348W140-G345 VanDerWaalsContact CZ2-CA 3.41Å; E343-G345 PolarHBondContact O-N 2.81Å; G345-L347 PolarHBondContact O-N 3.4Å; G345-S348 PolarHBondContact O-N 3.35Å
346F98.4Very high97.6Very high2 Ų230.5 Ų30.51%0.00917%0.17CC..Hα-helixtrans-62.8-29.9174.6173.8-122.4000112.5Y92 Y130 Q135 V137 W140 E343 R344 S348 D349 L350 M353Y92-F346 HydrophobicContact CE2-CD1 4.01Å; Y92-F346 HydrophobicContact CE2-CE1 4.11Å; Y130-F346 HydrophobicContact CD2-CE1 4.27Å; Q135-F346 VanDerWaalsContact O-CE2 3.3Å; Q135-F346 WeakPolarHBondContact O-CE2 3.41Å; Q135-F346 WeakPolarHBondContact O-CZ 3.4Å; V137-F346 HydrophobicContact CB-CB 4.3Å; V137-F346 HydrophobicContact CB-CD1 3.89Å; V137-F346 HydrophobicContact CB-CE1 4.4Å; V137-F346 HydrophobicContact CB-CG 4.05Å; V137-F346 HydrophobicContact CG2-CB 3.88Å; V137-F346 HydrophobicContact CG2-CD1 4.31Å; V137-F346 HydrophobicContact CG2-CG 4.19Å; W140-F346 HydrophobicContact CB-CB 4.43Å; W140-F346 HydrophobicContact CB-CD2 3.55Å; W140-F346 HydrophobicContact CB-CE2 4.21Å; W140-F346 HydrophobicContact CB-CG 4.34Å; W140-F346 HydrophobicContact CD2-CB 3.75Å; W140-F346 HydrophobicContact CD2-CD2 4.42Å; W140-F346 HydrophobicContact CE3-CB 3.82Å; W140-F346 HydrophobicContact CG-CB 4.02Å; W140-F346 AromaticContact CG-CD2 3.78Å; W140-F346 HydrophobicContact CG-CD2 3.78Å; W140-F346 HydrophobicContact CG-CG 4.36Å; W140-F346 HydrophobicContact CZ3-CB 4.39Å; E343-F346 WeakPolarHBondContact O-CA 3.37Å; E343-F346 WeakPolarHBondContact O-CB 3.43Å; E343-F346 PolarHBondContact O-N 3.22Å; R344-F346 PolarHBondContact O-N 3.01Å; F346-S348 PolarHBondContact O-N 3.34Å; F346-D349 HydrophobicContact CD2-CB 4.43Å; F346-D349 CarbonylContact O-C 3.58Å; F346-D349 PolarHBondContact O-N 3.15Å; F346-L350 HydrophobicContact CD1-CB 4.43Å; F346-L350 HydrophobicContact CE1-CB 4.15Å; F346-L350 HydrophobicContact CE1-CD1 4.27Å; F346-L350 HydrophobicContact CE1-CD2 4.24Å; F346-L350 HydrophobicContact CE1-CG 4.45Å; F346-L350 HydrophobicContact CZ-CB 4.22Å; F346-L350 HydrophobicContact CZ-CD1 4.15Å; F346-L350 WeakPolarHBondContact O-CB 3.5Å; F346-L350 PolarHBondContact O-N 3.28Å; F346-M353 HydrophobicContact CD2-CE 4.49Å; F346-M353 HydrophobicContact CE2-CE 3.49Å; F346-M353 VanDerWaalsContact CE2-CE 3.49Å; F346-M353 HydrophobicContact CZ-CE 3.84Å
347L98.4Very high97.6Very high0 Ų033.6 Ų33.60%018%0.184CC..Hα-helixtrans-64.4-25.8-174.9-60.4178.8000113.2N71 Y92 R344 G345 L350 R351 L366N71-L347 HydrophobicContact CB-CD1 3.89Å; Y92-L347 HydrophobicContact CD2-CD2 4.06Å; R344-L347 WeakPolarHBondContact O-CB 3.27Å; R344-L347 PolarHBondContact O-N 3.18Å; G345-L347 PolarHBondContact O-N 3.4Å; L347-L350 HydrophobicContact CD2-CD2 3.91Å; L347-R351 WeakPolarHBondContact O-CB 3.45Å; L347-R351 PolarHBondContact O-N 3.04Å; L347-L366 HydrophobicContact CB-CD1 3.46Å; L347-L366 VanDerWaalsContact CB-CD1 3.46Å; L347-L366 HydrophobicContact CD1-CD1 4Å; L347-L366 HydrophobicContact CG-CD1 4.39Å
348S97.9Very high97.5Very high45 Ų4533.6 Ų33.632%0.31518%0.184SC..Hα-helixtrans-67-48171.3-173.50000111.4G345 F346 L350 R351 D352G345-S348 PolarHBondContact O-N 3.35Å; F346-S348 PolarHBondContact O-N 3.34Å; S348-L350 VanDerWaalsContact C-N 3.31Å; S348-R351 PolarHBondContact O-N 2.98Å; S348-D352 PolarHBondContact O-N 2.73Å
349D98.1Very high97.5Very high50 Ų5038.3 Ų38.327%0.26721%0.206SC..Hα-helixtrans-63.3-40.7174.7-78.435.1000110W140 K143 F346 R351 D352 M353W140-D349 VanDerWaalsContact CD1-OD2 3.29Å; K143-D349 IonicContact NZ-OD2 3.05Å; K143-D349 PolarHBondContact NZ-OD2 2.86Å; F346-D349 HydrophobicContact CD2-CB 4.43Å; F346-D349 CarbonylContact O-C 3.58Å; F346-D349 PolarHBondContact O-N 3.15Å; D349-R351 PolarHBondContact O-N 2.95Å; D349-D352 PolarHBondContact O-N 2.75Å; D349-M353 HydrophobicContact CB-CE 4.41Å; D349-M353 WeakPolarHBondContact O-CB 3.39Å; D349-M353 VanDerWaalsContact O-CG 3.28Å; D349-M353 WeakPolarHBondContact O-CG 3.25Å; D349-M353 PolarHBondContact O-N 3.34Å
350L98.5Very high97.2Very high0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-60.6-44.1178.3-17963.6000111.7F40 L90 Y130 F346 L347 S348 D352 M353 L354F40-L350 HydrophobicContact CE1-CD1 3.63Å; F40-L350 HydrophobicContact CZ-CD1 3.87Å; L90-L350 HydrophobicContact CD2-CD2 4.34Å; Y130-L350 HydrophobicContact CD2-CD1 4.15Å; Y130-L350 HydrophobicContact CD2-CD2 4.16Å; Y130-L350 HydrophobicContact CE2-CD1 3.69Å; Y130-L350 HydrophobicContact CE2-CD2 3.94Å; Y130-L350 HydrophobicContact CE2-CG 4.47Å; F346-L350 HydrophobicContact CD1-CB 4.43Å; F346-L350 HydrophobicContact CE1-CB 4.15Å; F346-L350 HydrophobicContact CE1-CD1 4.27Å; F346-L350 HydrophobicContact CE1-CD2 4.24Å; F346-L350 HydrophobicContact CE1-CG 4.45Å; F346-L350 HydrophobicContact CZ-CB 4.22Å; F346-L350 HydrophobicContact CZ-CD1 4.15Å; F346-L350 WeakPolarHBondContact O-CB 3.5Å; F346-L350 PolarHBondContact O-N 3.28Å; L347-L350 HydrophobicContact CD2-CD2 3.91Å; S348-L350 VanDerWaalsContact C-N 3.31Å; L350-D352 VanDerWaalsContact C-N 3.29Å; L350-D352 PolarHBondContact O-N 3.21Å; L350-M353 HydrophobicContact CB-CE 4.46Å; L350-M353 HydrophobicContact CD1-CE 4.34Å; L350-M353 PolarHBondContact O-N 3.39Å; L350-L354 HydrophobicContact CD1-CD1 3.9Å; L350-L354 HydrophobicContact CD1-CD2 4.33Å; L350-L354 HydrophobicContact CD1-CG 3.78Å; L350-L354 HydrophobicContact CD2-CD1 4.38Å; L350-L354 HydrophobicContact CG-CD1 3.85Å; L350-L354 HydrophobicContact CG-CG 4.11Å; L350-L354 VanDerWaalsContact O-CB 3.32Å; L350-L354 WeakPolarHBondContact O-CB 3.45Å; L350-L354 VanDerWaalsContact O-CG 3.32Å; L350-L354 WeakPolarHBondContact O-CG 3.43Å; L350-L354 PolarHBondContact O-N 3.31Å
351R98.5Very high97.2Very high86 Ų8645.5 Ų45.533%0.32524%0.241SC..Hα-helixtrans-54-48.4174.8-177.8-164.266.3-162.1-6.4111L69 L347 S348 D349 G355 I364L69-R351 HydrophobicContact CD1-CB 3.9Å; L347-R351 WeakPolarHBondContact O-CB 3.45Å; L347-R351 PolarHBondContact O-N 3.04Å; S348-R351 PolarHBondContact O-N 2.98Å; D349-R351 PolarHBondContact O-N 2.95Å; R351-G355 PolarHBondContact O-N 3.23Å; R351-I364 HydrophobicContact CB-CG2 4.35Å; R351-I364 HydrophobicContact CG-CB 3.97Å; R351-I364 HydrophobicContact CG-CG2 3.74Å
352D98.1Very high97.3Very high81 Ų8144 Ų4443%0.43323%0.233SC..Hα-helixtrans-71.5-37.9-175.8-61.2-13.1000111.3S348 D349 L350 G355 S356S348-D352 PolarHBondContact O-N 2.73Å; D349-D352 PolarHBondContact O-N 2.75Å; L350-D352 VanDerWaalsContact C-N 3.29Å; L350-D352 PolarHBondContact O-N 3.21Å; D352-G355 PolarHBondContact O-N 3.2Å; D352-S356 PolarHBondContact O-N 2.83Å; D352-S356 PolarHBondContact O-OG 3.27Å
353M98.3Very high97.3Very high54 Ų5448 Ų4827%0.26626%0.255SS..Hα-helixtrans-65-46.4174-72.2-170.9-62.300112.2F40 Q135 F346 D349 L350 S356 H357F40-M353 HydrophobicContact CE2-CB 3.97Å; F40-M353 HydrophobicContact CZ-CB 4.09Å; F40-M353 HydrophobicContact CZ-CE 4.06Å; F40-M353 HydrophobicContact CZ-SD 4.32Å; Q135-M353 HydrophobicContact CB-SD 4.16Å; Q135-M353 HydrophobicContact CG-SD 4.34Å; F346-M353 HydrophobicContact CD2-CE 4.49Å; F346-M353 HydrophobicContact CE2-CE 3.49Å; F346-M353 VanDerWaalsContact CE2-CE 3.49Å; F346-M353 HydrophobicContact CZ-CE 3.84Å; D349-M353 HydrophobicContact CB-CE 4.41Å; D349-M353 WeakPolarHBondContact O-CB 3.39Å; D349-M353 VanDerWaalsContact O-CG 3.28Å; D349-M353 WeakPolarHBondContact O-CG 3.25Å; D349-M353 PolarHBondContact O-N 3.34Å; L350-M353 HydrophobicContact CB-CE 4.46Å; L350-M353 HydrophobicContact CD1-CE 4.34Å; L350-M353 PolarHBondContact O-N 3.39Å; M353-S356 PolarHBondContact O-N 2.91Å; M353-H357 WeakPolarHBondContact O-CB 3.16Å; M353-H357 PolarHBondContact O-N 3.34Å
354L98.1Very high97.3Very high0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-67.2-37.7176.5-71.1-178.7000111.5L37 F40 L67 L90 L350 S356 H357 L358 I364L37-L354 HydrophobicContact CD2-CD1 4.1Å; L37-L354 HydrophobicContact CD2-CD2 3.81Å; F40-L354 HydrophobicContact CB-CD2 4.3Å; F40-L354 HydrophobicContact CD1-CD2 3.89Å; F40-L354 HydrophobicContact CD2-CD2 4Å; F40-L354 HydrophobicContact CE1-CD2 4.17Å; F40-L354 HydrophobicContact CE2-CD2 4.28Å; F40-L354 HydrophobicContact CG-CD2 3.79Å; F40-L354 HydrophobicContact CZ-CD2 4.36Å; L67-L354 HydrophobicContact CD2-CD1 4.23Å; L90-L354 HydrophobicContact CD1-CD1 4.38Å; L350-L354 HydrophobicContact CD1-CD1 3.9Å; L350-L354 HydrophobicContact CD1-CD2 4.33Å; L350-L354 HydrophobicContact CD1-CG 3.78Å; L350-L354 HydrophobicContact CD2-CD1 4.38Å; L350-L354 HydrophobicContact CG-CD1 3.85Å; L350-L354 HydrophobicContact CG-CG 4.11Å; L350-L354 VanDerWaalsContact O-CB 3.32Å; L350-L354 WeakPolarHBondContact O-CB 3.45Å; L350-L354 VanDerWaalsContact O-CG 3.32Å; L350-L354 WeakPolarHBondContact O-CG 3.43Å; L350-L354 PolarHBondContact O-N 3.31Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 3.04Å; L354-H357 PolarHBondContact O-N 2.86Å; L354-L358 VanDerWaalsContact O-CB 3.24Å; L354-L358 WeakPolarHBondContact O-CB 3.3Å; L354-L358 VanDerWaalsContact O-CG 3.23Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.18Å; L354-I364 HydrophobicContact CB-CD1 3.62Å
355G97.3Very high97.3Very high6 Ų648.3 Ų48.36%0.06226%0.259CS..Hα-helixtrans-57.7-44.7173.900000111.4R351 D352 E359 N360R351-G355 PolarHBondContact O-N 3.23Å; D352-G355 PolarHBondContact O-N 3.2Å; G355-E359 PolarHBondContact O-N 3.48Å; G355-N360 PolarHBondContact O-N 3.24Å; G355-N360 PolarHBondContact O-OD1 3.23Å
356S97.1Very high97.4Very high90 Ų9048.7 Ų48.763%0.62925%0.253SS*.Hα-helixtrans-66.2-47.5175.1-56.40000112.4D352 M353 L354 L358 E359D352-S356 PolarHBondContact O-N 2.83Å; D352-S356 PolarHBondContact O-OG 3.27Å; M353-S356 PolarHBondContact O-N 2.91Å; L354-S356 VanDerWaalsContact C-N 3.29Å; L354-S356 PolarHBondContact O-N 3.04Å; S356-L358 VanDerWaalsContact C-N 3.34Å; S356-L358 PolarHBondContact O-N 3.32Å; S356-E359 PolarHBondContact O-N 3.25Å; S356-E359 VanDerWaalsContact O-N 3.14Å
357H96.9Very high97.4Very high76 Ų7649.2 Ų49.235%0.35226%0.257SS..Hα-helixtrans-63.3-36.9-179-178.177.6000113.1S36 F40 M353 L354 E359S36-H357 PolarHBondContact O-NE2 2.9Å; F40-H357 HydrophobicContact CD2-CB 4.21Å; M353-H357 WeakPolarHBondContact O-CB 3.16Å; M353-H357 PolarHBondContact O-N 3.34Å; L354-H357 PolarHBondContact O-N 2.86Å; H357-E359 VanDerWaalsContact C-N 3.28Å
358L96.4Very high97.4Very high4 Ų456.7 Ų56.72%0.02129%0.292CS..THydrogen-bonded Turntrans-89.99.3178.4-58.7175.4000112.5M28 L33 L354 S356 N360 K361 I362 I364M28-L358 HydrophobicContact CE-CD2 4.37Å; M28-L358 HydrophobicContact SD-CD2 4.14Å; L33-L358 HydrophobicContact CD1-CD1 3.66Å; L33-L358 HydrophobicContact CD1-CD2 3.9Å; L33-L358 HydrophobicContact CD1-CG 4.46Å; L354-L358 VanDerWaalsContact O-CB 3.24Å; L354-L358 WeakPolarHBondContact O-CB 3.3Å; L354-L358 VanDerWaalsContact O-CG 3.23Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.18Å; S356-L358 VanDerWaalsContact C-N 3.34Å; S356-L358 PolarHBondContact O-N 3.32Å; L358-N360 PolarHBondContact O-N 2.88Å; L358-N360 VanDerWaalsContact O-N 3.12Å; L358-K361 WeakPolarHBondContact O-CB 3.4Å; L358-K361 WeakPolarHBondContact O-CD 3.43Å; L358-K361 VanDerWaalsContact O-CG 3.23Å; L358-K361 WeakPolarHBondContact O-CG 3.22Å; L358-K361 PolarHBondContact O-N 3.04Å; L358-I362 HydrophobicContact CD1-CD1 3.74Å; L358-I362 HydrophobicContact CD1-CG1 3.97Å; L358-I364 HydrophobicContact CD1-CD1 4.29Å
359E95.6Very high97.4Very high134 Ų13456.1 Ų56.163%0.62629%0.286SS*.THydrogen-bonded Turntrans54.231.3-179.9-58.1168.2-172.500113.1G355 S356 H357 K361G355-E359 PolarHBondContact O-N 3.48Å; S356-E359 PolarHBondContact O-N 3.25Å; S356-E359 VanDerWaalsContact O-N 3.14Å; H357-E359 VanDerWaalsContact C-N 3.28Å; E359-K361 HydrophobicContact CB-CG 4.44Å; E359-K361 PolarHBondContact O-N 2.91Å; E359-K361 VanDerWaalsContact O-N 3.16Å; E359-K361 IonicContact OE1-NZ 3.67Å; E359-K361 WeakPolarHBondContact OE2-CE 3.3Å; E359-K361 IonicContact OE2-NZ 3.93Å; E359-K361 PolarHBondContact OE2-NZ 2.79Å
360N92.7Very high97.4Very high115 Ų11554.6 Ų54.662%0.61528%0.278SS*.THydrogen-bonded Turntrans53.928.7-174.6-56.4-65.6000114S26 G355 L358 I362S26-N360 PolarHBondContact OG-O 3.12Å; S26-N360 VanDerWaalsContact OG-O 3.07Å; G355-N360 PolarHBondContact O-N 3.24Å; G355-N360 PolarHBondContact O-OD1 3.23Å; L358-N360 PolarHBondContact O-N 2.88Å; L358-N360 VanDerWaalsContact O-N 3.12Å; N360-I362 PolarHBondContact O-N 3.48Å
361K94.6Very high97.2Very high87 Ų8761.3 Ų61.338%0.37830%0.303SS..  trans-68.3-14.1177.6-75.5172.1-178.8148.70114.4S26 F27 M28 L358 E359S26-K361 CarbonylContact C-O 3.32Å; S26-K361 WeakPolarHBondContact CA-O 3.5Å; S26-K361 WeakPolarHBondContact CB-O 3.41Å; S26-K361 VanDerWaalsContact OG-CA 3.23Å; S26-K361 WeakPolarHBondContact OG-CA 3.5Å; S26-K361 PolarHBondContact OG-O 2.71Å; F27-K361 PolarHBondContact N-O 3.27Å; F27-K361 VanDerWaalsContact N-O 3.07Å; M28-K361 HydrophobicContact CG-CB 4.09Å; M28-K361 HydrophobicContact SD-CB 4.09Å; M28-K361 HydrophobicContact SD-CD 4.4Å; L358-K361 WeakPolarHBondContact O-CB 3.4Å; L358-K361 WeakPolarHBondContact O-CD 3.43Å; L358-K361 VanDerWaalsContact O-CG 3.23Å; L358-K361 WeakPolarHBondContact O-CG 3.22Å; L358-K361 PolarHBondContact O-N 3.04Å; E359-K361 HydrophobicContact CB-CG 4.44Å; E359-K361 PolarHBondContact O-N 2.91Å; E359-K361 VanDerWaalsContact O-N 3.16Å; E359-K361 IonicContact OE1-NZ 3.67Å; E359-K361 WeakPolarHBondContact OE2-CE 3.3Å; E359-K361 IonicContact OE2-NZ 3.93Å; E359-K361 PolarHBondContact OE2-NZ 2.79Å
362I96.9Very high96.9Very high10 Ų1058.1 Ų58.15%0.05129%0.293CS..SBendtrans-138.8156.7176.660.8171.7000109.5M28 L33 V64 N65 L67 L358 N360 I364M28-I362 HydrophobicContact CB-CG2 4.19Å; M28-I362 HydrophobicContact CG-CG2 3.87Å; M28-I362 HydrophobicContact SD-CG2 4.29Å; L33-I362 HydrophobicContact CD1-CD1 3.84Å; L33-I362 HydrophobicContact CD2-CD1 3.89Å; V64-I362 HydrophobicContact CG1-CD1 4.37Å; V64-I362 WeakPolarHBondContact O-CG2 3.24Å; N65-I362 WeakPolarHBondContact O-CB 3.41Å; L67-I362 HydrophobicContact CB-CD1 3.65Å; L67-I362 HydrophobicContact CD2-CD1 4.19Å; L358-I362 HydrophobicContact CD1-CD1 3.74Å; L358-I362 HydrophobicContact CD1-CG1 3.97Å; N360-I362 PolarHBondContact O-N 3.48Å; I362-I364 HydrophobicContact CG1-CG1 4.19Å
363N97.8Very high96.7Very high85 Ų8559.6 Ų59.646%0.45531%0.307SS..EExtended strand (participates in β ladder)trans-76.9129.6170.6-179.538.7000109.6N65 T66 L67 I365N65-N363 WeakPolarHBondContact O-CB 3.45Å; N65-N363 PolarHBondContact O-N 3.12Å; T66-N363 CarbonylContact C-O 3.54Å; T66-N363 WeakPolarHBondContact CA-O 3.41Å; L67-N363 PolarHBondContact N-O 3.41Å; N363-I365 VanDerWaalsContact ND2-CD1 3.35Å; N363-I365 WeakPolarHBondContact ND2-CD1 3.42Å; N363-I365 WeakPolarHBondContact ND2-CG1 3.33Å
364I98.5Very high96.4Very high19 Ų1961.8 Ų61.810%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-117.2115.8177.4-48.8-179.2000108.7L67 L69 R351 L354 L358 I362L67-I364 HydrophobicContact CB-CG1 4.41Å; L67-I364 HydrophobicContact CD2-CG2 4.4Å; L67-I364 HydrophobicContact CG-CG2 4.41Å; L67-I364 CarbonylContact O-C 3.54Å; L67-I364 VanDerWaalsContact O-CA 3.3Å; L67-I364 WeakPolarHBondContact O-CA 3.45Å; L69-I364 HydrophobicContact CD1-CG2 3.69Å; L69-I364 HydrophobicContact CD2-CG2 4.06Å; L69-I364 HydrophobicContact CG-CG2 3.7Å; R351-I364 HydrophobicContact CB-CG2 4.35Å; R351-I364 HydrophobicContact CG-CB 3.97Å; R351-I364 HydrophobicContact CG-CG2 3.74Å; L354-I364 HydrophobicContact CB-CD1 3.62Å; L358-I364 HydrophobicContact CD1-CD1 4.29Å; I362-I364 HydrophobicContact CG1-CG1 4.19Å
365I98.4Very high96Very high35 Ų3569.1 Ų69.118%0.17935%0.353CS..EExtended strand (participates in β ladder)trans-111.7138.6-178.8-53.2171.2000109.4T66 L67 F68 L69 K84 N363T66-I365 HydrophobicContact CG2-CD1 3.69Å; T66-I365 HydrophobicContact CG2-CG1 4.16Å; L67-I365 PolarHBondContact O-N 2.93Å; F68-I365 CarbonylContact C-O 3.58Å; F68-I365 WeakPolarHBondContact CA-O 3.28Å; F68-I365 HydrophobicContact CD2-CB 4.14Å; F68-I365 HydrophobicContact CD2-CG2 4.21Å; F68-I365 HydrophobicContact CE2-CG2 4.34Å; L69-I365 PolarHBondContact N-O 3.01Å; K84-I365 HydrophobicContact CB-CD1 4Å; K84-I365 HydrophobicContact CD-CD1 4.46Å; K84-I365 HydrophobicContact CD-CG2 3.8Å; K84-I365 HydrophobicContact CG-CD1 4.5Å; N363-I365 VanDerWaalsContact ND2-CD1 3.35Å; N363-I365 WeakPolarHBondContact ND2-CD1 3.42Å; N363-I365 WeakPolarHBondContact ND2-CG1 3.33Å
366L98.6Very high95.6Very high44 Ų4474.6 Ų74.623%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-94.9139.6170.4-176.161.1000109.8L69 L347L69-L366 HydrophobicContact CB-CD1 3.98Å; L347-L366 HydrophobicContact CB-CD1 3.46Å; L347-L366 VanDerWaalsContact CB-CD1 3.46Å; L347-L366 HydrophobicContact CD1-CD1 4Å; L347-L366 HydrophobicContact CG-CD1 4.39Å
367S98.6Very high95.1Very high13 Ų1379.7 Ų79.79%0.09141%0.412CS..  trans-56.9133.7171-179.30000111.6L69 E80 T369 D370L69-S367 WeakPolarHBondContact O-CB 3.42Å; L69-S367 PolarHBondContact O-N 3.26Å; E80-S367 PolarHBondContact OE2-OG 2.88Å; E80-S367 VanDerWaalsContact OE2-OG 3.09Å; S367-T369 PolarHBondContact OG-N 3Å; S367-D370 VanDerWaalsContact OG-CB 3.29Å; S367-D370 WeakPolarHBondContact OG-CB 3.4Å; S367-D370 PolarHBondContact OG-N 2.97Å
368E98.1Very high95Very high157 Ų15779.9 Ų79.973%0.73442%0.415SS*.SBendtrans-96.9-18.3171.4-68.8164.6-138.700111.4E80 K84E80-E368 PolarHBondContact OE1-N 3.23Å; E80-E368 PolarHBondContact OE2-N 3.44Å; K84-E368 VanDerWaalsContact NZ-CD 3.34Å; K84-E368 IonicContact NZ-OE1 3.56Å; K84-E368 PolarHBondContact NZ-OE1 3.45Å
369T97.7Very high95Very high32 Ų3283.9 Ų83.920%0.19644%0.436CS..SBendtrans-89.9-28.2-176.7-500000112.3E76 V77 E80 S367 R371E76-T369 HydrophobicContact CB-CG2 3.83Å; V77-T369 HydrophobicContact CG2-CG2 4.38Å; E80-T369 WeakPolarHBondContact OE2-CB 3.49Å; E80-T369 PolarHBondContact OE2-N 2.66Å; E80-T369 PolarHBondContact OE2-OG1 3.49Å; S367-T369 PolarHBondContact OG-N 3Å; T369-R371 PolarHBondContact O-N 2.96Å; T369-R371 PolarHBondContact O-NE 3.43Å; T369-R371 PolarHBondContact O-NH2 2.85Å; T369-R371 VanDerWaalsContact O-NH2 3.1Å
370D97.6Very high94.9Very high18 Ų1881.1 Ų81.110%0.09643%0.426CS..  trans-59.4127178.9173.811.2000111.2T70 N71 V77 R344 S367T70-D370 WeakPolarHBondContact OG1-CB 3.32Å; T70-D370 PolarHBondContact OG1-OD2 3.08Å; N71-D370 WeakPolarHBondContact CA-OD2 3.48Å; N71-D370 WeakPolarHBondContact CB-OD2 3.41Å; N71-D370 PolarHBondContact N-OD2 2.72Å; V77-D370 HydrophobicContact CG2-CB 3.99Å; R344-D370 IonicContact CZ-OD1 3.98Å; R344-D370 IonicContact NE-OD1 3.56Å; R344-D370 PolarHBondContact NE-OD1 3.46Å; R344-D370 IonicContact NE-OD2 2.76Å; R344-D370 IonicContact NH2-OD1 3.81Å; R344-D370 PolarHBondContact NH2-OD1 3.33Å; R344-D370 VanDerWaalsContact NH2-OD1 3.13Å; S367-D370 VanDerWaalsContact OG-CB 3.29Å; S367-D370 WeakPolarHBondContact OG-CB 3.4Å; S367-D370 PolarHBondContact OG-N 2.97Å
371R95.1Very high95.1Very high142 Ų14279.1 Ų79.154%0.53641%0.414SS..  trans-152.1159.6-176.768.4-164.575.6175.88.4110.4R344 T369R344-R371 VanDerWaalsContact CZ-C 3.42Å; R344-R371 PolarHBondContact NH2-O 3.08Å; R344-R371 VanDerWaalsContact NH2-O 3.13Å; T369-R371 PolarHBondContact O-N 2.96Å; T369-R371 PolarHBondContact O-NE 3.43Å; T369-R371 PolarHBondContact O-NH2 2.85Å; T369-R371 VanDerWaalsContact O-NH2 3.1Å
372D93.3Very high95.1Very high18 Ų1878.6 Ų78.610%0.09642%0.417CS..  trans-63.5135.7175.8-161.2-76000109.6R344 L374R344-D372 VanDerWaalsContact CZ-N 3.33Å; D372-L374 PolarHBondContact O-N 2.84Å; D372-L374 WeakPolarHBondContact OD1-CA 3.49Å; D372-L374 WeakPolarHBondContact OD1-CB 3.49Å; D372-L374 PolarHBondContact OD1-N 3.26Å
373P92.9Very high95Very high112 Ų11283.2 Ų83.273%0.72744%0.441SS*.SBendtrans-68-18177.628-35.3000112.7
374L91.8Very high94.8Very high100 Ų10083.1 Ų83.152%0.52444%0.44SS..  trans-100.2140.7179.4-56.1178.5000111.1E338 D372E338-L374 WeakPolarHBondContact OE2-CD1 3.45Å; D372-L374 PolarHBondContact O-N 2.84Å; D372-L374 WeakPolarHBondContact OD1-CA 3.49Å; D372-L374 WeakPolarHBondContact OD1-CB 3.49Å; D372-L374 PolarHBondContact OD1-N 3.26Å
375Q89.6Confident94.5Very high154 Ų15488 Ų8872%0.7247%0.466SS*.  trans-126.7137.6173.8-64.6-178.118.100109.5V377Q375-V377 PolarHBondContact O-N 3.35Å
376V88.7Confident94.1Very high121 Ų12192.4 Ų92.473%0.73349%0.49SS*.  trans-76.2113.5169.3-176.80000107.1
377V87.9Confident93.7Very high198 Ų19896.8 Ų96.8100%1.251%0.514SS*.  trans-99.90-177-66.60000113.5Q375Q375-V377 PolarHBondContact O-N 3.35Å

Retrieved 377 of 377 residues in 1280.2 ms (Link to these results)

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