A0A060WGR2_ONCMY Loading...

L-lactate dehydrogenase

AlphaFold DB , UniProt , Accession A0A060WGR2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110490189, Length 334 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
1M79.4Confident90.8Very high239 Ų239123.5 Ų123.5100%1.17767%0.668SS**  0135.90-73.9-174.3-115.700108.1
2S79.4Confident91Very high59 Ų59125.3 Ų125.341%0.41369%0.685SS.*  trans-64.8142.2175.5460000111.2K7S2-K7 WeakPolarHBondContact O-CE 3.49Å; S2-K7 WeakPolarHBondContact OG-CE 3.41Å; S2-K7 WeakPolarHBondContact OG-CG 3.23Å
3S92.4Very high90.8Very high55 Ų55122.9 Ų122.939%0.38569%0.692SS.*  trans-67.4160.5178.1720000111.2M5 Q6 K7S3-M5 PolarHBondContact O-N 2.73Å; S3-Q6 PolarHBondContact O-N 3.41Å; S3-Q6 VanDerWaalsContact O-N 3.13Å; S3-Q6 WeakPolarHBondContact OG-CG 2.82Å; S3-Q6 PolarHBondContact OG-N 2.97Å; S3-K7 PolarHBondContact O-N 3.2Å; S3-K7 VanDerWaalsContact O-N 3.12Å
4V94.5Very high90.3Very high118 Ų118123.1 Ų123.172%0.71571%0.705SS**Hα-helixtrans-53.3-42.3172.91740000110.7Q6 K7 L8V4-Q6 PolarHBondContact O-N 2.86Å; V4-K7 PolarHBondContact O-N 3.06Å; V4-L8 VanDerWaalsContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 PolarHBondContact O-N 2.95Å
5M91.9Very high89.8Confident135 Ų135119.4 Ų119.467%0.66571%0.705SS**Hα-helixtrans-58.6-46.8177.5-175.9-174.3173.600112.2S3 K7 L8 L9S3-M5 PolarHBondContact O-N 2.73Å; M5-K7 VanDerWaalsContact C-N 3.26Å; M5-K7 PolarHBondContact O-N 3.32Å; M5-L8 PolarHBondContact O-N 3.03Å; M5-L9 HydrophobicContact CG-CD1 4.46Å; M5-L9 PolarHBondContact O-N 2.83Å
6Q91.7Very high89.3Confident130 Ų130120.1 Ų120.161%0.60771%0.714SS**Hα-helixtrans-66.2-27.8179.3-73.8171.8-27.400113.1S3 V4S3-Q6 PolarHBondContact O-N 3.41Å; S3-Q6 VanDerWaalsContact O-N 3.13Å; S3-Q6 WeakPolarHBondContact OG-CG 2.82Å; S3-Q6 PolarHBondContact OG-N 2.97Å; V4-Q6 PolarHBondContact O-N 2.86Å
7K95.8Very high88.8Confident150 Ų150118.8 Ų118.865%0.65272%0.719SS**Hα-helixtrans-81.9-32.4175.6-66-179.7-176-179.20112.6S2 S3 V4 M5S2-K7 WeakPolarHBondContact O-CE 3.49Å; S2-K7 WeakPolarHBondContact OG-CE 3.41Å; S2-K7 WeakPolarHBondContact OG-CG 3.23Å; S3-K7 PolarHBondContact O-N 3.2Å; S3-K7 VanDerWaalsContact O-N 3.12Å; V4-K7 PolarHBondContact O-N 3.06Å; M5-K7 VanDerWaalsContact C-N 3.26Å; M5-K7 PolarHBondContact O-N 3.32Å
8L95.6Very high88.7Confident132 Ų132119.9 Ų119.969%0.69172%0.715SS**Hα-helixtrans-84.3-40.2-175.5-179.162.7000112.5V4 M5V4-L8 VanDerWaalsContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 PolarHBondContact O-N 2.95Å; M5-L8 PolarHBondContact O-N 3.03Å
9L94.9Very high88.6Confident106 Ų106118 Ų11856%0.55571%0.707SS**  trans-119.6121.9-171.4-59.9176000110.5M5M5-L9 HydrophobicContact CG-CD1 4.46Å; M5-L9 PolarHBondContact O-N 2.83Å
10T93.9Very high88.9Confident119 Ų119113.8 Ų113.873%0.7368%0.682SS**  trans-101.4109.8170.1-58.30000108.5V12T10-V12 PolarHBondContact O-N 2.7Å
11P89.7Confident89.1Confident116 Ų116116.7 Ų116.775%0.75368%0.681SS**  trans-67.4127.7178.927.5-32.7000110
12V92.3Very high89.9Confident144 Ų144107.7 Ų107.787%0.87364%0.638SS**  trans-101.8-36177-179.10000111.2T10T10-V12 PolarHBondContact O-N 2.7Å
13A89.1Confident90.8Very high95 Ų95105.3 Ų105.379%0.78562%0.62SS**  trans-90.6141.7173.400000110.5
14S83.8Confident91.1Very high125 Ų125102.7 Ų102.787%0.87460%0.602SS**  trans-117.6133.5170.859.70000109
15G81.9Confident91.3Very high68 Ų6897.1 Ų97.170%0.70157%0.568SS**SBendtrans144165.3-178.500000112.9
16P82.4Confident91.7Very high131 Ų13190.7 Ų90.785%0.85154%0.536SS*.PPolyproline II helixtrans-67154.117330.3-34000110.7
17A80.8Confident92Very high97 Ų9784.6 Ų84.680%0.80251%0.508SS*.PPolyproline II helixtrans-61.3142.2171.400000110.6
18E86.6Confident92.1Very high139 Ų13977.6 Ų77.665%0.6548%0.479SS*.PPolyproline II helixtrans-60.7144.9171.9-75.6-168.5178.700110.6R21E18-R21 IonicContact OE1-NH2 3.76Å; E18-R21 IonicContact OE2-CZ 3.91Å; E18-R21 IonicContact OE2-NE 3.22Å; E18-R21 IonicContact OE2-NH2 2.76Å; E18-R21 PolarHBondContact OE2-NH2 2.96Å
19P87.8Confident92.2Very high84 Ų8471.3 Ų71.355%0.54545%0.446SS..PPolyproline II helixtrans-64.4152.9170.329.5-34.3000110.3
20P93.8Very high92.3Very high33 Ų3367.8 Ų67.821%0.21443%0.434CS..PPolyproline II helixtrans-64.7146.2177.829.1-34.8000110.8K23 E48P20-K23 HydrophobicContact CB-CB 3.93Å; P20-K23 HydrophobicContact CG-CB 3.8Å; P20-K23 HydrophobicContact CG-CD 3.75Å; P20-K23 HydrophobicContact CG-CG 4.31Å; P20-E48 HydrophobicContact CB-CB 3.75Å; P20-E48 HydrophobicContact CG-CB 4.17Å
21R92.7Very high92.5Very high175 Ų17566.2 Ų66.266%0.6642%0.42SS*.SBendtrans-96.5-34.6-175.1-61.7-177.5-177.1-171.80.8112.5E18 D47E18-R21 IonicContact OE1-NH2 3.76Å; E18-R21 IonicContact OE2-CZ 3.91Å; E18-R21 IonicContact OE2-NE 3.22Å; E18-R21 IonicContact OE2-NH2 2.76Å; E18-R21 PolarHBondContact OE2-NH2 2.96Å; R21-D47 PolarHBondContact N-OD2 2.89Å
22N96.8Very high92.9Very high51 Ų5162.3 Ų62.327%0.27339%0.394SS..SBendtrans-123.837.8-176.8-69.3-36.1000111.3V24 A46 D47 R91 I265N22-V24 PolarHBondContact O-N 3.26Å; N22-A46 WeakPolarHBondContact O-CA 3.45Å; N22-A46 WeakPolarHBondContact O-CB 3.49Å; N22-D47 VanDerWaalsContact CA-OD1 3.32Å; N22-D47 WeakPolarHBondContact CA-OD1 3.45Å; N22-D47 PolarHBondContact N-OD1 3.29Å; N22-D47 PolarHBondContact N-OD2 3.13Å; N22-R91 PolarHBondContact OD1-NH1 2.96Å; N22-I265 HydrophobicContact CB-CG2 4.24Å
23K98.7Very high93.2Very high9 Ų955.4 Ų55.44%0.03935%0.352CS..  trans-61.2132.4180-179.4175.9179162.80111.6P20 D47 E48 V86 A88 S90 R91 I92P20-K23 HydrophobicContact CB-CB 3.93Å; P20-K23 HydrophobicContact CG-CB 3.8Å; P20-K23 HydrophobicContact CG-CD 3.75Å; P20-K23 HydrophobicContact CG-CG 4.31Å; K23-D47 PolarHBondContact N-OD1 3.33Å; K23-E48 VanDerWaalsContact CA-O 3.29Å; K23-E48 WeakPolarHBondContact CA-O 3.38Å; K23-E48 HydrophobicContact CB-CB 4.26Å; K23-E48 HydrophobicContact CD-CB 4.45Å; K23-E48 HydrophobicContact CD-CG 4.25Å; K23-E48 WeakPolarHBondContact CD-OE1 3.49Å; K23-E48 WeakPolarHBondContact CE-OE1 3.49Å; K23-E48 HydrophobicContact CG-CB 4.08Å; K23-E48 HydrophobicContact CG-CG 4.22Å; K23-E48 IonicContact NZ-OE1 2.72Å; K23-E48 PolarHBondContact NZ-OE1 3.13Å; K23-V86 WeakPolarHBondContact CE-O 3.29Å; K23-V86 PolarHBondContact NZ-O 3.47Å; K23-A88 WeakPolarHBondContact CD-O 3.41Å; K23-A88 WeakPolarHBondContact CE-O 3.3Å; K23-A88 PolarHBondContact NZ-O 3.08Å; K23-S90 WeakPolarHBondContact CD-OG 3.41Å; K23-S90 WeakPolarHBondContact CE-OG 3.49Å; K23-S90 WeakPolarHBondContact CG-OG 3.44Å; K23-R91 PolarHBondContact O-N 3.4Å; K23-I92 PolarHBondContact O-N 3.41Å
24V98.9Very high93.7Very high0 Ų051.9 Ų51.90%032%0.319CS..EExtended strand (participates in β ladder)trans-115.1132.9173.4177.80000109.1N22 V40 A46 E48 L49 A50 I92 T261 I265N22-V24 PolarHBondContact O-N 3.26Å; V24-V40 HydrophobicContact CB-CG1 4.22Å; V24-V40 HydrophobicContact CG1-CG1 4.21Å; V24-V40 HydrophobicContact CG2-CG1 4.21Å; V24-A46 HydrophobicContact CB-CB 4.05Å; V24-A46 HydrophobicContact CG2-CB 3.79Å; V24-E48 PolarHBondContact N-O 3.11Å; V24-L49 HydrophobicContact CB-CD1 4.38Å; V24-L49 HydrophobicContact CG1-CD1 4.37Å; V24-L49 WeakPolarHBondContact O-CA 3.17Å; V24-A50 PolarHBondContact O-N 2.89Å; V24-I92 WeakPolarHBondContact CA-O 3.47Å; V24-I92 HydrophobicContact CG2-CB 4.45Å; V24-T261 HydrophobicContact CG2-CG2 4.24Å; V24-I265 HydrophobicContact CG2-CD1 3.65Å
25T98.9Very high94.4Very high0 Ų046 Ų460%028%0.279CS..EExtended strand (participates in β ladder)trans-108.1138.2169.5-67.40000110.5V27 A50 V52 T87 S90 I92 V93 V94T25-V27 HydrophobicContact CG2-CG2 3.95Å; T25-A50 CarbonylContact C-O 3.53Å; T25-A50 VanDerWaalsContact CA-O 3.23Å; T25-A50 WeakPolarHBondContact CA-O 3.45Å; T25-V52 HydrophobicContact CG2-CG2 4.43Å; T25-T87 HydrophobicContact CG2-CG2 3.55Å; T25-S90 PolarHBondContact OG1-OG 3.23Å; T25-I92 PolarHBondContact N-O 2.87Å; T25-V93 HydrophobicContact CG2-CG1 3.89Å; T25-V93 CarbonylContact O-C 3.53Å; T25-V93 WeakPolarHBondContact O-CA 3.29Å; T25-V94 PolarHBondContact O-N 3.49Å
26V98.9Very high95.2Very high0 Ų042.8 Ų42.80%025%0.245CC..EExtended strand (participates in β ladder)trans-115121.3166.9-177.10000109A37 L49 A50 L51 V52 V94V26-A37 HydrophobicContact CG2-CB 4.25Å; V26-L49 HydrophobicContact CG2-CD1 4.21Å; V26-A50 PolarHBondContact N-O 2.78Å; V26-L51 HydrophobicContact CB-CD2 3.91Å; V26-L51 HydrophobicContact CG2-CD2 4.45Å; V26-V52 PolarHBondContact O-N 3.13Å; V26-V94 HydrophobicContact CG2-CB 4.34Å
27V98.8Very high96Very high2 Ų236.5 Ų36.51%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-99.2122.5176-174.40000109.2T25 V52 Y84 V93 V94 S96 A97 I121 I125T25-V27 HydrophobicContact CG2-CG2 3.95Å; V27-V52 HydrophobicContact CG2-CB 4.49Å; V27-Y84 HydrophobicContact CG1-CE1 4.44Å; V27-Y84 HydrophobicContact CG2-CE1 4.34Å; V27-V93 HydrophobicContact CG2-CG1 3.86Å; V27-V94 PolarHBondContact N-O 2.91Å; V27-S96 CarbonylContact O-C 3.54Å; V27-S96 WeakPolarHBondContact O-CA 3.42Å; V27-S96 PolarHBondContact O-N 2.88Å; V27-S96 PolarHBondContact O-OG 3.42Å; V27-A97 HydrophobicContact CG1-CB 4.08Å; V27-A97 PolarHBondContact O-N 3.33Å; V27-I121 HydrophobicContact CG1-CD1 4.18Å; V27-I121 HydrophobicContact CG1-CG2 3.87Å; V27-I125 HydrophobicContact CG2-CD1 3.98Å; V27-I125 HydrophobicContact CG2-CG1 4.43Å
28G98.1Very high96.8Very high4 Ų434.2 Ų34.24%0.04118%0.18CC..  trans92.9119.6-169.100000111.4G30 G33 V52 D53 S96G28-G30 VanDerWaalsContact C-N 3.34Å; G28-G33 WeakPolarHBondContact O-CA 3.45Å; G28-V52 PolarHBondContact N-O 2.93Å; G28-D53 VanDerWaalsContact CA-OD2 3.31Å; G28-D53 WeakPolarHBondContact CA-OD2 3.34Å; G28-S96 PolarHBondContact O-OG 3.29Å
29V98.3Very high97.4Very high0 Ų028.1 Ų28.10%015%0.153CC..  trans-102.433.6172.9-58.30000111.3M34 L51 D53 K58 L59 E62V29-M34 HydrophobicContact CB-CG 4.36Å; V29-M34 HydrophobicContact CB-SD 3.88Å; V29-M34 HydrophobicContact CG1-SD 4.1Å; V29-L51 HydrophobicContact CG1-CB 4.02Å; V29-L51 HydrophobicContact CG1-CD1 4.23Å; V29-D53 HydrophobicContact CB-CB 4.42Å; V29-D53 HydrophobicContact CG1-CB 4.26Å; V29-D53 HydrophobicContact CG2-CB 3.66Å; V29-D53 PolarHBondContact N-OD2 2.78Å; V29-K58 HydrophobicContact CG2-CD 4.17Å; V29-K58 HydrophobicContact CG2-CG 4.15Å; V29-K58 WeakPolarHBondContact O-CE 3.47Å; V29-K58 PolarHBondContact O-NZ 3.06Å; V29-L59 HydrophobicContact CG1-CD1 3.55Å; V29-L59 HydrophobicContact CG2-CD1 4.35Å; V29-E62 HydrophobicContact CB-CG 4.29Å; V29-E62 HydrophobicContact CG2-CG 4.35Å
30G97.1Very high97.9Very high31 Ų3124.1 Ų24.132%0.3213%0.128SC..SBendtrans-69.2179.9166.300000112G28 V32 G33 M34G28-G30 VanDerWaalsContact C-N 3.34Å; G30-V32 PolarHBondContact O-N 2.82Å; G30-G33 PolarHBondContact O-N 3.27Å; G30-G33 VanDerWaalsContact O-N 3.12Å; G30-M34 PolarHBondContact O-N 2.82Å
31M97.5Very high98.2Very high87 Ų8722.7 Ų22.743%0.42912%0.118SC..Hα-helixtrans-54-40.5-179.9-59.7-60.3-176.400112.9A35 Y248 N250M31-A35 WeakPolarHBondContact O-CB 3.47Å; M31-A35 PolarHBondContact O-N 3.47Å; M31-A35 VanDerWaalsContact O-N 3.16Å; M31-Y248 HydrophobicContact CB-CD2 3.73Å; M31-Y248 HydrophobicContact CB-CE2 4.04Å; M31-Y248 HydrophobicContact CB-CG 4.34Å; M31-Y248 HydrophobicContact CE-CE1 4.21Å; M31-Y248 HydrophobicContact CG-CD1 4.35Å; M31-Y248 HydrophobicContact CG-CD2 3.71Å; M31-Y248 HydrophobicContact CG-CE1 4.48Å; M31-Y248 HydrophobicContact CG-CE2 3.83Å; M31-Y248 HydrophobicContact CG-CG 3.99Å; M31-Y248 HydrophobicContact SD-CE2 4.06Å; M31-N250 HydrophobicContact CB-CB 4Å; M31-N250 VanDerWaalsContact O-CB 3.29Å; M31-N250 WeakPolarHBondContact O-CB 3.38Å
32V98.1Very high98.5Very high33 Ų3320.1 Ų20.120%0.212%0.117CC..Hα-helixtrans-68.1-49177.6174.90000111.1G30 M34 A35 C36 V137 T249 I253G30-V32 PolarHBondContact O-N 2.82Å; V32-M34 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 3.33Å; V32-C36 PolarHBondContact O-N 2.81Å; V32-C36 PolarHBondContact O-SG 3.3Å; V32-V137 HydrophobicContact CG1-CG1 3.72Å; V32-T249 VanDerWaalsContact CG2-O 3.29Å; V32-T249 WeakPolarHBondContact CG2-O 3.36Å; V32-I253 HydrophobicContact CG1-CG1 4.35Å; V32-I253 HydrophobicContact CG1-CG2 3.98Å; V32-I253 HydrophobicContact CG2-CG2 4.13Å
33G98.6Very high98.5Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-58.7-46-179.900000112.6G28 G30 A35 C36 A37 S96G28-G33 WeakPolarHBondContact O-CA 3.45Å; G30-G33 PolarHBondContact O-N 3.27Å; G30-G33 VanDerWaalsContact O-N 3.12Å; G33-A35 PolarHBondContact O-N 3.45Å; G33-C36 WeakPolarHBondContact O-CB 3.24Å; G33-C36 PolarHBondContact O-N 3.07Å; G33-C36 VanDerWaalsContact O-N 3.16Å; G33-A37 WeakPolarHBondContact O-CB 3.28Å; G33-A37 PolarHBondContact O-N 3.01Å; G33-S96 VanDerWaalsContact CA-OG 3.32Å; G33-S96 WeakPolarHBondContact CA-OG 3.43Å
34M98.8Very high98.5Very high20 Ų2024.4 Ų24.410%0.09913%0.134CC..Hα-helixtrans-66.3-36.8177.2-66.4-49.6-58.400112.8V29 G30 V32 C36 A37 V38 L51 E62 L66V29-M34 HydrophobicContact CB-CG 4.36Å; V29-M34 HydrophobicContact CB-SD 3.88Å; V29-M34 HydrophobicContact CG1-SD 4.1Å; G30-M34 PolarHBondContact O-N 2.82Å; V32-M34 PolarHBondContact O-N 3.49Å; M34-C36 VanDerWaalsContact C-N 3.33Å; M34-C36 PolarHBondContact O-N 3.4Å; M34-A37 PolarHBondContact O-N 3.08Å; M34-V38 WeakPolarHBondContact O-CB 3.37Å; M34-V38 WeakPolarHBondContact O-CG2 3.46Å; M34-V38 PolarHBondContact O-N 2.96Å; M34-L51 HydrophobicContact SD-CD1 4.35Å; M34-E62 HydrophobicContact CE-CB 3.83Å; M34-E62 HydrophobicContact CE-CG 4.29Å; M34-E62 WeakPolarHBondContact CE-OE2 3.47Å; M34-E62 HydrophobicContact CG-CG 4.26Å; M34-E62 HydrophobicContact SD-CB 3.77Å; M34-E62 HydrophobicContact SD-CG 3.92Å; M34-L66 HydrophobicContact CE-CD1 3.74Å; M34-L66 HydrophobicContact CE-CD2 4.35Å; M34-L66 HydrophobicContact CE-CG 4.07Å
35A98.8Very high98.5Very high2 Ų224.6 Ų24.62%0.01714%0.135CC..Hα-helixtrans-64.9-36.3172.700000112.5M31 V32 G33 S39 N250 W251M31-A35 WeakPolarHBondContact O-CB 3.47Å; M31-A35 PolarHBondContact O-N 3.47Å; M31-A35 VanDerWaalsContact O-N 3.16Å; V32-A35 PolarHBondContact O-N 3.33Å; G33-A35 PolarHBondContact O-N 3.45Å; A35-S39 VanDerWaalsContact O-CB 3.26Å; A35-S39 WeakPolarHBondContact O-CB 3.49Å; A35-S39 PolarHBondContact O-N 3.02Å; A35-S39 VanDerWaalsContact O-N 3.14Å; A35-S39 PolarHBondContact O-OG 3.43Å; A35-N250 HydrophobicContact CB-CB 3.88Å; A35-N250 VanDerWaalsContact CB-O 3.23Å; A35-N250 WeakPolarHBondContact CB-O 3.23Å; A35-W251 HydrophobicContact CB-CE3 3.97Å; A35-W251 HydrophobicContact CB-CZ3 4.21Å
36C98.9Very high98.4Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-65.7-49.7172.7-61.80000110.8V32 G33 M34 V38 S39 V40 V94 V257V32-C36 PolarHBondContact O-N 2.81Å; V32-C36 PolarHBondContact O-SG 3.3Å; G33-C36 WeakPolarHBondContact O-CB 3.24Å; G33-C36 PolarHBondContact O-N 3.07Å; G33-C36 VanDerWaalsContact O-N 3.16Å; M34-C36 VanDerWaalsContact C-N 3.33Å; M34-C36 PolarHBondContact O-N 3.4Å; C36-V38 PolarHBondContact O-N 3.12Å; C36-S39 PolarHBondContact O-N 3.09Å; C36-V40 VanDerWaalsContact O-CG2 3.32Å; C36-V40 WeakPolarHBondContact O-CG2 3.39Å; C36-V40 PolarHBondContact O-N 3.43Å; C36-V94 HydrophobicContact CB-CG1 4.45Å; C36-V257 HydrophobicContact CB-CG1 4.29Å
37A98.8Very high98.4Very high0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-56.5-52.4-179.400000111.9V26 G33 M34 S39 V40 L41 L49 L51V26-A37 HydrophobicContact CG2-CB 4.25Å; G33-A37 WeakPolarHBondContact O-CB 3.28Å; G33-A37 PolarHBondContact O-N 3.01Å; M34-A37 PolarHBondContact O-N 3.08Å; A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 3.4Å; A37-V40 PolarHBondContact O-N 2.95Å; A37-L41 WeakPolarHBondContact O-CG 3.37Å; A37-L41 PolarHBondContact O-N 2.88Å; A37-L49 HydrophobicContact CB-CD2 4.07Å; A37-L51 HydrophobicContact CB-CD2 4.01Å
38V98.8Very high98.4Very high48 Ų4827.6 Ų27.629%0.29115%0.152SC..Hα-helixtrans-62.1-41.8178.3171.60000111.3M34 C36 V40 L41 L42 L66M34-V38 WeakPolarHBondContact O-CB 3.37Å; M34-V38 WeakPolarHBondContact O-CG2 3.46Å; M34-V38 PolarHBondContact O-N 2.96Å; C36-V38 PolarHBondContact O-N 3.12Å; V38-V40 VanDerWaalsContact C-N 3.31Å; V38-V40 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 3.18Å; V38-L42 HydrophobicContact CG1-CD1 3.66Å; V38-L42 HydrophobicContact CG1-CG 4.08Å; V38-L42 WeakPolarHBondContact O-CB 3.42Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.1Å; V38-L66 HydrophobicContact CG2-CD2 3.76Å
39S98.8Very high98.4Very high12 Ų1227.4 Ų27.48%0.08415%0.15CC..Hα-helixtrans-65.4-34.1179.2-59.30000112.7A35 C36 A37 R43 G254A35-S39 VanDerWaalsContact O-CB 3.26Å; A35-S39 WeakPolarHBondContact O-CB 3.49Å; A35-S39 PolarHBondContact O-N 3.02Å; A35-S39 VanDerWaalsContact O-N 3.14Å; A35-S39 PolarHBondContact O-OG 3.43Å; C36-S39 PolarHBondContact O-N 3.09Å; A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 3.4Å; S39-R43 WeakPolarHBondContact O-CB 3.49Å; S39-R43 WeakPolarHBondContact O-CG 3.24Å; S39-R43 PolarHBondContact O-N 3.35Å; S39-G254 WeakPolarHBondContact CB-O 3.35Å
40V98.8Very high98.5Very high0 Ų027.4 Ų27.40%015%0.15CC..Hα-helixtrans-67.8-45174165.60000111V24 C36 A37 V38 R43 D44 L45 A46 T261V24-V40 HydrophobicContact CB-CG1 4.22Å; V24-V40 HydrophobicContact CG1-CG1 4.21Å; V24-V40 HydrophobicContact CG2-CG1 4.21Å; C36-V40 VanDerWaalsContact O-CG2 3.32Å; C36-V40 WeakPolarHBondContact O-CG2 3.39Å; C36-V40 PolarHBondContact O-N 3.43Å; A37-V40 PolarHBondContact O-N 2.95Å; V38-V40 VanDerWaalsContact C-N 3.31Å; V38-V40 PolarHBondContact O-N 3.43Å; V40-R43 PolarHBondContact O-N 3.41Å; V40-D44 PolarHBondContact O-N 2.78Å; V40-L45 HydrophobicContact CG1-CB 4.11Å; V40-L45 PolarHBondContact O-N 3.11Å; V40-A46 HydrophobicContact CG1-CB 4.16Å; V40-T261 HydrophobicContact CG2-CG2 4.25Å
41L98.8Very high98.5Very high3 Ų326 Ų262%0.01613%0.134CC..Hα-helixtrans-62.4-49178.1-70.2170.8000111.8A37 V38 R43 D44 L49 L66 L73 T75 I78A37-L41 WeakPolarHBondContact O-CG 3.37Å; A37-L41 PolarHBondContact O-N 2.88Å; V38-L41 PolarHBondContact O-N 3.18Å; L41-R43 PolarHBondContact O-N 3.01Å; L41-D44 PolarHBondContact O-N 3.35Å; L41-D44 VanDerWaalsContact O-N 3.09Å; L41-L49 HydrophobicContact CD1-CD2 3.73Å; L41-L49 HydrophobicContact CD2-CB 4.12Å; L41-L49 HydrophobicContact CD2-CD2 3.84Å; L41-L49 HydrophobicContact CG-CD2 3.79Å; L41-L66 HydrophobicContact CD1-CD1 4.03Å; L41-L66 HydrophobicContact CD1-CD2 3.86Å; L41-L66 HydrophobicContact CD1-CG 4.37Å; L41-L73 HydrophobicContact CB-CD1 4.21Å; L41-L73 HydrophobicContact CB-CD2 4.06Å; L41-L73 HydrophobicContact CD1-CD1 4Å; L41-L73 HydrophobicContact CD2-CD1 4.31Å; L41-L73 HydrophobicContact CG-CD1 4.4Å; L41-T75 HydrophobicContact CD2-CG2 3.81Å; L41-T75 WeakPolarHBondContact CD2-OG1 3.34Å; L41-I78 HydrophobicContact CD1-CD1 4.03Å; L41-I78 HydrophobicContact CD2-CD1 4Å; L41-I78 HydrophobicContact CD2-CG1 4.3Å
42L98.5Very high98.6Very high120 Ų12021.9 Ų21.963%0.62811%0.114SC*.Hα-helixtrans-67.8-15.4-177.8-68.8177.9000113.9V38 L73V38-L42 HydrophobicContact CG1-CD1 3.66Å; V38-L42 HydrophobicContact CG1-CG 4.08Å; V38-L42 WeakPolarHBondContact O-CB 3.42Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.1Å; L42-L73 HydrophobicContact CD2-CD2 4.05Å
43R98.3Very high98.6Very high81 Ų8121.5 Ų21.531%0.30611%0.111SC..THydrogen-bonded Turntrans-101.27.8176-70.2-170.2-171-162.46.5113.3S39 V40 L41 L45 E262S39-R43 WeakPolarHBondContact O-CB 3.49Å; S39-R43 WeakPolarHBondContact O-CG 3.24Å; S39-R43 PolarHBondContact O-N 3.35Å; V40-R43 PolarHBondContact O-N 3.41Å; L41-R43 PolarHBondContact O-N 3.01Å; R43-L45 HydrophobicContact CB-CD1 3.97Å; R43-L45 HydrophobicContact CB-CD2 4.06Å; R43-L45 HydrophobicContact CB-CG 3.64Å; R43-L45 WeakPolarHBondContact O-CD2 3.47Å; R43-L45 PolarHBondContact O-N 2.8Å; R43-E262 IonicContact NH1-OE2 3.59Å
44D98.3Very high98.5Very high69 Ų6927.6 Ų27.637%0.36915%0.148SC..THydrogen-bonded Turntrans53.638.1-180-55.7-41.5000113V40 L41 K74V40-D44 PolarHBondContact O-N 2.78Å; L41-D44 PolarHBondContact O-N 3.35Å; L41-D44 VanDerWaalsContact O-N 3.09Å; D44-K74 VanDerWaalsContact OD1-CB 3.31Å; D44-K74 WeakPolarHBondContact OD1-CB 3.48Å; D44-K74 WeakPolarHBondContact OD1-CG 3.43Å; D44-K74 VanDerWaalsContact OD2-CD 3.32Å; D44-K74 WeakPolarHBondContact OD2-CD 3.44Å; D44-K74 WeakPolarHBondContact OD2-CE 3.47Å; D44-K74 IonicContact OD2-NZ 3.63Å; D44-K74 PolarHBondContact OD2-NZ 3.48Å
45L98.4Very high98.4Very high4 Ų431.8 Ų31.82%0.02117%0.169CC..  trans-84.5-17.3-172.3-60.2-178.4000113.6V40 R43 A258 T261 E262 I265V40-L45 HydrophobicContact CG1-CB 4.11Å; V40-L45 PolarHBondContact O-N 3.11Å; R43-L45 HydrophobicContact CB-CD1 3.97Å; R43-L45 HydrophobicContact CB-CD2 4.06Å; R43-L45 HydrophobicContact CB-CG 3.64Å; R43-L45 WeakPolarHBondContact O-CD2 3.47Å; R43-L45 PolarHBondContact O-N 2.8Å; L45-A258 HydrophobicContact CD1-CB 4.43Å; L45-A258 WeakPolarHBondContact CD1-O 3.37Å; L45-T261 HydrophobicContact CB-CG2 4.45Å; L45-T261 HydrophobicContact CD1-CG2 3.96Å; L45-E262 HydrophobicContact CD1-CB 3.98Å; L45-E262 HydrophobicContact CD2-CB 3.76Å; L45-E262 HydrophobicContact CD2-CG 3.78Å; L45-I265 HydrophobicContact CB-CD1 4.31Å; L45-I265 WeakPolarHBondContact O-CD1 3.35Å
46A98.1Very high98.3Very high7 Ų736.8 Ų36.86%0.05819%0.192CC..  trans-130.9141.2-175.100000112N22 V24 V40 T75N22-A46 WeakPolarHBondContact O-CA 3.45Å; N22-A46 WeakPolarHBondContact O-CB 3.49Å; V24-A46 HydrophobicContact CB-CB 4.05Å; V24-A46 HydrophobicContact CG2-CB 3.79Å; V40-A46 HydrophobicContact CG1-CB 4.16Å; A46-T75 WeakPolarHBondContact O-CB 3.39Å; A46-T75 WeakPolarHBondContact O-CG2 3.41Å; A46-T75 PolarHBondContact O-OG1 2.85Å
47D97.9Very high98.3Very high46 Ų4643.7 Ų43.725%0.24623%0.229CC..SBendtrans-83.4-28167.754.2-10000111.9R21 N22 K23 S76 K77R21-D47 PolarHBondContact N-OD2 2.89Å; N22-D47 VanDerWaalsContact CA-OD1 3.32Å; N22-D47 WeakPolarHBondContact CA-OD1 3.45Å; N22-D47 PolarHBondContact N-OD1 3.29Å; N22-D47 PolarHBondContact N-OD2 3.13Å; K23-D47 PolarHBondContact N-OD1 3.33Å; D47-S76 PolarHBondContact O-N 2.83Å; D47-S76 VanDerWaalsContact O-N 3.12Å; D47-S76 PolarHBondContact O-OG 3.24Å; D47-K77 PolarHBondContact O-N 2.91Å
48E98.7Very high98.2Very high13 Ų1347 Ų476%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-133.5130.9169.7-175.4171.4127.900111.1P20 K23 V24 K77 V79P20-E48 HydrophobicContact CB-CB 3.75Å; P20-E48 HydrophobicContact CG-CB 4.17Å; K23-E48 VanDerWaalsContact CA-O 3.29Å; K23-E48 WeakPolarHBondContact CA-O 3.38Å; K23-E48 HydrophobicContact CB-CB 4.26Å; K23-E48 HydrophobicContact CD-CB 4.45Å; K23-E48 HydrophobicContact CD-CG 4.25Å; K23-E48 WeakPolarHBondContact CD-OE1 3.49Å; K23-E48 WeakPolarHBondContact CE-OE1 3.49Å; K23-E48 HydrophobicContact CG-CB 4.08Å; K23-E48 HydrophobicContact CG-CG 4.22Å; K23-E48 IonicContact NZ-OE1 2.72Å; K23-E48 PolarHBondContact NZ-OE1 3.13Å; V24-E48 PolarHBondContact N-O 3.11Å; E48-K77 CarbonylContact C-O 3.58Å; E48-K77 WeakPolarHBondContact CA-O 3.34Å; E48-K77 HydrophobicContact CB-CB 4.44Å; E48-K77 HydrophobicContact CG-CB 4.13Å; E48-K77 HydrophobicContact CG-CD 4.37Å; E48-K77 HydrophobicContact CG-CG 4.12Å; E48-K77 IonicContact OE1-NZ 2.8Å; E48-K77 VanDerWaalsContact OE2-CD 3.28Å; E48-K77 WeakPolarHBondContact OE2-CD 3.24Å; E48-K77 WeakPolarHBondContact OE2-CE 3.33Å; E48-K77 IonicContact OE2-NZ 2.66Å; E48-K77 PolarHBondContact OE2-NZ 3.18Å; E48-V79 HydrophobicContact CG-CG2 4.49Å
49L98.8Very high98.2Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-107.6127.7169.2179.672.7000109.5V24 V26 A37 L41 L51 L66 T75 K77 I78 V79V24-L49 HydrophobicContact CB-CD1 4.38Å; V24-L49 HydrophobicContact CG1-CD1 4.37Å; V24-L49 WeakPolarHBondContact O-CA 3.17Å; V26-L49 HydrophobicContact CG2-CD1 4.21Å; A37-L49 HydrophobicContact CB-CD2 4.07Å; L41-L49 HydrophobicContact CD1-CD2 3.73Å; L41-L49 HydrophobicContact CD2-CB 4.12Å; L41-L49 HydrophobicContact CD2-CD2 3.84Å; L41-L49 HydrophobicContact CG-CD2 3.79Å; L49-L51 HydrophobicContact CD2-CD2 4.21Å; L49-L51 HydrophobicContact CG-CD2 4.3Å; L49-L66 HydrophobicContact CD2-CD1 4.22Å; L49-T75 HydrophobicContact CB-CG2 4.39Å; L49-K77 PolarHBondContact N-O 3.17Å; L49-I78 HydrophobicContact CB-CG1 4.47Å; L49-I78 HydrophobicContact CD2-CG2 4.39Å; L49-I78 WeakPolarHBondContact O-CA 3.48Å; L49-V79 PolarHBondContact O-N 2.96Å
50A98.9Very high98.2Very high0 Ų050.6 Ų50.60%025%0.254CS..EExtended strand (participates in β ladder)trans-114.1133.7172.100000111.4V24 T25 V26 V79V24-A50 PolarHBondContact O-N 2.89Å; T25-A50 CarbonylContact C-O 3.53Å; T25-A50 VanDerWaalsContact CA-O 3.23Å; T25-A50 WeakPolarHBondContact CA-O 3.45Å; V26-A50 PolarHBondContact N-O 2.78Å; A50-V79 CarbonylContact C-O 3.54Å; A50-V79 VanDerWaalsContact CA-O 3.31Å; A50-V79 WeakPolarHBondContact CA-O 3.41Å; A50-V79 HydrophobicContact CB-CG2 3.93Å
51L98.9Very high98.2Very high0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-110.6139.5174.2-56179.7000110.4V26 V29 M34 A37 L49 L59 L66 V79 A80 D81V26-L51 HydrophobicContact CB-CD2 3.91Å; V26-L51 HydrophobicContact CG2-CD2 4.45Å; V29-L51 HydrophobicContact CG1-CB 4.02Å; V29-L51 HydrophobicContact CG1-CD1 4.23Å; M34-L51 HydrophobicContact SD-CD1 4.35Å; A37-L51 HydrophobicContact CB-CD2 4.01Å; L49-L51 HydrophobicContact CD2-CD2 4.21Å; L49-L51 HydrophobicContact CG-CD2 4.3Å; L51-L59 HydrophobicContact CB-CD1 3.74Å; L51-L66 HydrophobicContact CD1-CD1 3.96Å; L51-V79 PolarHBondContact N-O 3.31Å; L51-A80 HydrophobicContact CB-CB 3.87Å; L51-A80 VanDerWaalsContact O-CA 3.24Å; L51-A80 WeakPolarHBondContact O-CA 3.46Å; L51-D81 PolarHBondContact O-N 3.08Å
52V98.8Very high98.2Very high1 Ų154.8 Ų54.81%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-132.8130.4174.8178.70000110T25 V26 V27 G28 D81 Y84 V86 T87T25-V52 HydrophobicContact CG2-CG2 4.43Å; V26-V52 PolarHBondContact O-N 3.13Å; V27-V52 HydrophobicContact CG2-CB 4.49Å; G28-V52 PolarHBondContact N-O 2.93Å; V52-D81 WeakPolarHBondContact CA-O 3.4Å; V52-Y84 HydrophobicContact CG1-CD1 4.39Å; V52-Y84 HydrophobicContact CG1-CD2 4.34Å; V52-Y84 HydrophobicContact CG1-CE1 3.98Å; V52-Y84 HydrophobicContact CG1-CE2 3.92Å; V52-V86 HydrophobicContact CG2-CG1 3.55Å; V52-T87 HydrophobicContact CG2-CG2 3.34Å
53D98.4Very high98.2Very high26 Ų2650.5 Ų50.514%0.13926%0.261CS..  trans-154.4161.7171-157-69.3000109.8G28 V29 M55 L59G28-D53 VanDerWaalsContact CA-OD2 3.31Å; G28-D53 WeakPolarHBondContact CA-OD2 3.34Å; V29-D53 HydrophobicContact CB-CB 4.42Å; V29-D53 HydrophobicContact CG1-CB 4.26Å; V29-D53 HydrophobicContact CG2-CB 3.66Å; V29-D53 PolarHBondContact N-OD2 2.78Å; D53-M55 PolarHBondContact OD1-N 2.92Å; D53-L59 HydrophobicContact CB-CB 4.37Å; D53-L59 HydrophobicContact CB-CD1 4.08Å; D53-L59 HydrophobicContact CB-CD2 4.5Å
54V96.8Very high98.3Very high128 Ų12850.2 Ų50.278%0.77626%0.264SS*.SBendtrans-82.7-19.1175-62.40000112.3E56V54-E56 PolarHBondContact O-N 3.27Å
55M96.7Very high98.3Very high108 Ų10852.3 Ų52.353%0.53228%0.275SS..  trans-83.384.3178.7-62.5-175.268.300111.3D53 D57 K58 L59D53-M55 PolarHBondContact OD1-N 2.92Å; M55-D57 PolarHBondContact O-N 3.12Å; M55-K58 HydrophobicContact CB-CB 3.93Å; M55-K58 HydrophobicContact CE-CB 4.38Å; M55-K58 HydrophobicContact CE-CD 4.21Å; M55-K58 PolarHBondContact O-N 3.36Å; M55-K58 HydrophobicContact SD-CD 4.2Å; M55-L59 WeakPolarHBondContact O-CB 3.42Å; M55-L59 PolarHBondContact O-N 3.07Å
56E96.2Very high98.3Very high106 Ų10653 Ų5350%0.49528%0.279SS..Hα-helixtrans-50.7-52.6-172.1-66.2-174.8-162.900114.7V54 K58 L59 K60 K82V54-E56 PolarHBondContact O-N 3.27Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 3.08Å; E56-L59 PolarHBondContact O-N 3.09Å; E56-K60 WeakPolarHBondContact O-CB 3.4Å; E56-K60 PolarHBondContact O-N 3.3Å; E56-K82 HydrophobicContact CG-CD 4.1Å; E56-K82 VanDerWaalsContact OE1-CD 3.23Å; E56-K82 WeakPolarHBondContact OE1-CD 3.29Å; E56-K82 WeakPolarHBondContact OE1-CE 3.46Å; E56-K82 IonicContact OE1-NZ 3.68Å; E56-K82 PolarHBondContact OE1-NZ 2.96Å
57D97.9Very high98.3Very high146 Ų14656.2 Ų56.278%0.78129%0.293SS*.Hα-helixtrans-63.3-42.6-177.7-73-23000111.8M55 K60 G61M55-D57 PolarHBondContact O-N 3.12Å; D57-K60 PolarHBondContact O-N 3.47Å; D57-G61 PolarHBondContact O-N 3.02Å
58K98.4Very high98.4Very high70 Ų7060.6 Ų60.630%0.30431%0.311SS..Hα-helixtrans-64.3-47.5177-172.6-178.9-179.4-167.60110.4V29 M55 E56 K60 G61 E62V29-K58 HydrophobicContact CG2-CD 4.17Å; V29-K58 HydrophobicContact CG2-CG 4.15Å; V29-K58 WeakPolarHBondContact O-CE 3.47Å; V29-K58 PolarHBondContact O-NZ 3.06Å; M55-K58 HydrophobicContact CB-CB 3.93Å; M55-K58 HydrophobicContact CE-CB 4.38Å; M55-K58 HydrophobicContact CE-CD 4.21Å; M55-K58 PolarHBondContact O-N 3.36Å; M55-K58 HydrophobicContact SD-CD 4.2Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 3.08Å; K58-K60 VanDerWaalsContact C-N 3.32Å; K58-K60 PolarHBondContact O-N 2.89Å; K58-G61 PolarHBondContact O-N 3.3Å; K58-E62 HydrophobicContact CG-CG 4.17Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 3.05Å; K58-E62 PolarHBondContact O-N 2.65Å
59L98.7Very high98.3Very high6 Ų661 Ų613%0.03132%0.318CS..Hα-helixtrans-56.7-46178.8-178.963000111.8V29 L51 D53 M55 E56 M63 A80 D81V29-L59 HydrophobicContact CG1-CD1 3.55Å; V29-L59 HydrophobicContact CG2-CD1 4.35Å; L51-L59 HydrophobicContact CB-CD1 3.74Å; D53-L59 HydrophobicContact CB-CB 4.37Å; D53-L59 HydrophobicContact CB-CD1 4.08Å; D53-L59 HydrophobicContact CB-CD2 4.5Å; M55-L59 WeakPolarHBondContact O-CB 3.42Å; M55-L59 PolarHBondContact O-N 3.07Å; E56-L59 PolarHBondContact O-N 3.09Å; L59-M63 WeakPolarHBondContact O-CB 2.9Å; L59-M63 PolarHBondContact O-N 3.14Å; L59-A80 HydrophobicContact CD1-CB 3.73Å; L59-A80 HydrophobicContact CD2-CB 4.32Å; L59-A80 HydrophobicContact CG-CB 3.77Å; L59-D81 VanDerWaalsContact CD2-C 3.4Å; L59-D81 WeakPolarHBondContact CD2-O 3.31Å
60K98.6Very high98.3Very high128 Ų12863.4 Ų63.456%0.55734%0.336SS*.Hα-helixtrans-64.6-43.5176.5-176.2177.3177.6-178.70111.9E56 D57 K58 M63 M64E56-K60 WeakPolarHBondContact O-CB 3.4Å; E56-K60 PolarHBondContact O-N 3.3Å; D57-K60 PolarHBondContact O-N 3.47Å; K58-K60 VanDerWaalsContact C-N 3.32Å; K58-K60 PolarHBondContact O-N 2.89Å; K60-M63 PolarHBondContact O-N 3.09Å; K60-M64 HydrophobicContact CG-CG 4.44Å; K60-M64 HydrophobicContact CG-SD 3.99Å; K60-M64 WeakPolarHBondContact O-CB 3.41Å; K60-M64 VanDerWaalsContact O-CG 3.29Å; K60-M64 WeakPolarHBondContact O-CG 3.3Å; K60-M64 PolarHBondContact O-N 3.13Å
61G98.8Very high98.3Very high39 Ų3970.7 Ų70.740%0.40237%0.373SS..Hα-helixtrans-59.2-5117700000112.4D57 K58 M63 M64 D65D57-G61 PolarHBondContact O-N 3.02Å; K58-G61 PolarHBondContact O-N 3.3Å; G61-M63 VanDerWaalsContact C-N 3.34Å; G61-M63 PolarHBondContact O-N 3.33Å; G61-M64 PolarHBondContact O-N 3.14Å; G61-D65 PolarHBondContact O-N 3.22Å
62E98.8Very high98.2Very high52 Ų5278.8 Ų78.824%0.24341%0.409CS..Hα-helixtrans-61.7-41.2178.3-64.1-72.7-174.400111.6V29 M34 K58 L66V29-E62 HydrophobicContact CB-CG 4.29Å; V29-E62 HydrophobicContact CG2-CG 4.35Å; M34-E62 HydrophobicContact CE-CB 3.83Å; M34-E62 HydrophobicContact CE-CG 4.29Å; M34-E62 WeakPolarHBondContact CE-OE2 3.47Å; M34-E62 HydrophobicContact CG-CG 4.26Å; M34-E62 HydrophobicContact SD-CB 3.77Å; M34-E62 HydrophobicContact SD-CG 3.92Å; K58-E62 HydrophobicContact CG-CG 4.17Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 3.05Å; K58-E62 PolarHBondContact O-N 2.65Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.27Å
63M98.8Very high98.2Very high30 Ų3080.3 Ų80.315%0.14842%0.417CS..Hα-helixtrans-61.6-48.7174.9-178.2-164.265.900111.8L59 K60 G61 D65 L66 Q67 I78 A80L59-M63 WeakPolarHBondContact O-CB 2.9Å; L59-M63 PolarHBondContact O-N 3.14Å; K60-M63 PolarHBondContact O-N 3.09Å; G61-M63 VanDerWaalsContact C-N 3.34Å; G61-M63 PolarHBondContact O-N 3.33Å; M63-D65 VanDerWaalsContact C-N 3.34Å; M63-D65 PolarHBondContact O-N 2.87Å; M63-L66 PolarHBondContact O-N 3.17Å; M63-Q67 HydrophobicContact CG-CG 4.39Å; M63-Q67 WeakPolarHBondContact O-CB 3.27Å; M63-Q67 VanDerWaalsContact O-CG 3.28Å; M63-Q67 WeakPolarHBondContact O-CG 3.29Å; M63-Q67 PolarHBondContact O-N 3.12Å; M63-I78 HydrophobicContact CG-CG2 4.41Å; M63-A80 HydrophobicContact CB-CB 3.65Å; M63-A80 HydrophobicContact CG-CB 3.76Å; M63-A80 HydrophobicContact SD-CB 3.62Å; M63-A80 PolarHBondContact SD-N 3.05Å
64M98.8Very high98.1Very high75 Ų7586.8 Ų86.837%0.36944%0.444SS..Hα-helixtrans-63.4-40.9-178.2-75.3177.960.800111.6K60 G61 Q67 H68K60-M64 HydrophobicContact CG-CG 4.44Å; K60-M64 HydrophobicContact CG-SD 3.99Å; K60-M64 WeakPolarHBondContact O-CB 3.41Å; K60-M64 VanDerWaalsContact O-CG 3.29Å; K60-M64 WeakPolarHBondContact O-CG 3.3Å; K60-M64 PolarHBondContact O-N 3.13Å; G61-M64 PolarHBondContact O-N 3.14Å; M64-Q67 WeakPolarHBondContact O-CB 3.47Å; M64-Q67 PolarHBondContact O-N 3.44Å; M64-H68 PolarHBondContact O-CD2 3.33Å; M64-H68 PolarHBondContact O-N 3.5Å
65D98.8Very high98.2Very high113 Ų11381 Ų8160%0.60441%0.409SS*.Hα-helixtrans-62.7-45.5178.7-16321.5000111.3G61 M63 Q67 H68 G69G61-D65 PolarHBondContact O-N 3.22Å; M63-D65 VanDerWaalsContact C-N 3.34Å; M63-D65 PolarHBondContact O-N 2.87Å; D65-Q67 VanDerWaalsContact C-N 3.34Å; D65-Q67 PolarHBondContact O-N 2.82Å; D65-H68 PolarHBondContact O-N 3.24Å; D65-G69 PolarHBondContact O-N 2.75Å
66L98.7Very high98.1Very high20 Ų2080.9 Ų80.911%0.10542%0.419CS..Hα-helixtrans-62.2-39.7172.9-66.8179.1000112.6M34 V38 L41 L49 L51 E62 M63 G69 I78M34-L66 HydrophobicContact CE-CD1 3.74Å; M34-L66 HydrophobicContact CE-CD2 4.35Å; M34-L66 HydrophobicContact CE-CG 4.07Å; V38-L66 HydrophobicContact CG2-CD2 3.76Å; L41-L66 HydrophobicContact CD1-CD1 4.03Å; L41-L66 HydrophobicContact CD1-CD2 3.86Å; L41-L66 HydrophobicContact CD1-CG 4.37Å; L49-L66 HydrophobicContact CD2-CD1 4.22Å; L51-L66 HydrophobicContact CD1-CD1 3.96Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.27Å; M63-L66 PolarHBondContact O-N 3.17Å; L66-G69 WeakPolarHBondContact O-CA 3.36Å; L66-G69 PolarHBondContact O-N 2.92Å; L66-G69 VanDerWaalsContact O-N 3.14Å; L66-I78 HydrophobicContact CB-CD1 3.93Å; L66-I78 HydrophobicContact CB-CG2 4.26Å; L66-I78 HydrophobicContact CD1-CG2 4.44Å
67Q98.8Very high98.2Very high74 Ų7480.5 Ų80.535%0.34642%0.416SS..Hα-helixtrans-65.3-37.6177.3-77.7175.7-17.500112.4M63 M64 D65 G69 S70 I78M63-Q67 HydrophobicContact CG-CG 4.39Å; M63-Q67 WeakPolarHBondContact O-CB 3.27Å; M63-Q67 VanDerWaalsContact O-CG 3.28Å; M63-Q67 WeakPolarHBondContact O-CG 3.29Å; M63-Q67 PolarHBondContact O-N 3.12Å; M64-Q67 WeakPolarHBondContact O-CB 3.47Å; M64-Q67 PolarHBondContact O-N 3.44Å; D65-Q67 VanDerWaalsContact C-N 3.34Å; D65-Q67 PolarHBondContact O-N 2.82Å; Q67-G69 PolarHBondContact O-N 2.61Å; Q67-S70 WeakPolarHBondContact CA-OG 3.46Å; Q67-S70 WeakPolarHBondContact O-CB 3.36Å; Q67-S70 PolarHBondContact O-N 3.23Å; Q67-S70 PolarHBondContact O-OG 3.29Å; Q67-I78 HydrophobicContact CG-CB 4.08Å; Q67-I78 HydrophobicContact CG-CG2 4.45Å; Q67-I78 PolarHBondContact NE2-O 3.27Å
68H98.6Very high98.2Very high138 Ų13873.9 Ų73.964%0.63938%0.38SS*.Hα-helixtrans-61.4-28.8173.7-64.8163.1000111.8M64 D65 S70M64-H68 PolarHBondContact O-CD2 3.33Å; M64-H68 PolarHBondContact O-N 3.5Å; D65-H68 PolarHBondContact O-N 3.24Å; H68-S70 VanDerWaalsContact C-N 3.3Å; H68-S70 PolarHBondContact O-N 2.81Å
69G98.3Very high98.2Very high20 Ų2072 Ų7221%0.20638%0.375CS..G310 helixtrans-77-3.1172.800000115.6D65 L66 Q67 L71 F72D65-G69 PolarHBondContact O-N 2.75Å; L66-G69 WeakPolarHBondContact O-CA 3.36Å; L66-G69 PolarHBondContact O-N 2.92Å; L66-G69 VanDerWaalsContact O-N 3.14Å; Q67-G69 PolarHBondContact O-N 2.61Å; G69-L71 PolarHBondContact O-N 3.07Å; G69-F72 PolarHBondContact O-N 2.88Å
70S97.8Very high98.2Very high52 Ų5272.8 Ų72.836%0.36438%0.381SS..G310 helixtrans-56.8-30-170.6-60.10000114.1Q67 H68 F72 L73Q67-S70 WeakPolarHBondContact CA-OG 3.46Å; Q67-S70 WeakPolarHBondContact O-CB 3.36Å; Q67-S70 PolarHBondContact O-N 3.23Å; Q67-S70 PolarHBondContact O-OG 3.29Å; H68-S70 VanDerWaalsContact C-N 3.3Å; H68-S70 PolarHBondContact O-N 2.81Å; S70-F72 PolarHBondContact O-N 3.26Å; S70-L73 PolarHBondContact O-N 2.99Å
71L98.1Very high98.2Very high152 Ų15270.3 Ų70.380%0.79637%0.374SS*.G310 helixtrans-59.1-29176.1-179.962.4000112.7G69G69-L71 PolarHBondContact O-N 3.07Å
72F98.4Very high98.1Very high170 Ų17074 Ų7475%0.74638%0.379SS*.G310 helixtrans-97.93.6-176.6-47.8-63.8000112.9G69 S70G69-F72 PolarHBondContact O-N 2.88Å; S70-F72 PolarHBondContact O-N 3.26Å
73L97.9Very high98.1Very high34 Ų3475.7 Ų75.718%0.17839%0.39CS..  trans-120.3158.6-175.6-60.5176.7000110.7L41 L42 S70 I78L41-L73 HydrophobicContact CB-CD1 4.21Å; L41-L73 HydrophobicContact CB-CD2 4.06Å; L41-L73 HydrophobicContact CD1-CD1 4Å; L41-L73 HydrophobicContact CD2-CD1 4.31Å; L41-L73 HydrophobicContact CG-CD1 4.4Å; L42-L73 HydrophobicContact CD2-CD2 4.05Å; S70-L73 PolarHBondContact O-N 2.99Å; L73-I78 HydrophobicContact CD1-CD1 4.15Å
74K97.4Very high98.1Very high162 Ų16275.7 Ų75.770%0.70439%0.389SS*.  trans-102.9-7.6173.9-53.6-173.1-164.8144.10113.8D44 S76D44-K74 VanDerWaalsContact OD1-CB 3.31Å; D44-K74 WeakPolarHBondContact OD1-CB 3.48Å; D44-K74 WeakPolarHBondContact OD1-CG 3.43Å; D44-K74 VanDerWaalsContact OD2-CD 3.32Å; D44-K74 WeakPolarHBondContact OD2-CD 3.44Å; D44-K74 WeakPolarHBondContact OD2-CE 3.47Å; D44-K74 IonicContact OD2-NZ 3.63Å; D44-K74 PolarHBondContact OD2-NZ 3.48Å; K74-S76 PolarHBondContact O-N 2.81Å
75T97.8Very high98.1Very high6 Ų674.4 Ų74.44%0.03739%0.39CS..  trans-69.6120.8173.3-620000109.6L41 A46 L49 K77 I78L41-T75 HydrophobicContact CD2-CG2 3.81Å; L41-T75 WeakPolarHBondContact CD2-OG1 3.34Å; A46-T75 WeakPolarHBondContact O-CB 3.39Å; A46-T75 WeakPolarHBondContact O-CG2 3.41Å; A46-T75 PolarHBondContact O-OG1 2.85Å; L49-T75 HydrophobicContact CB-CG2 4.39Å; T75-K77 VanDerWaalsContact C-N 3.32Å; T75-K77 WeakPolarHBondContact CG2-O 3.17Å; T75-K77 PolarHBondContact O-N 2.78Å; T75-I78 HydrophobicContact CG2-CG1 4.4Å
76S94.4Very high98.1Very high106 Ų10670.3 Ų70.374%0.74137%0.369SS*.SBendtrans-73.4-23.7-170.868.80000114.1D47 K74D47-S76 PolarHBondContact O-N 2.83Å; D47-S76 VanDerWaalsContact O-N 3.12Å; D47-S76 PolarHBondContact O-OG 3.24Å; K74-S76 PolarHBondContact O-N 2.81Å
77K98Very high98.1Very high98 Ų9869.4 Ų69.443%0.42636%0.364SS..EExtended strand (participates in β ladder)trans-148.9128.8-172-175.4166.1162.7-143.70111.6D47 E48 L49 T75 V79D47-K77 PolarHBondContact O-N 2.91Å; E48-K77 CarbonylContact C-O 3.58Å; E48-K77 WeakPolarHBondContact CA-O 3.34Å; E48-K77 HydrophobicContact CB-CB 4.44Å; E48-K77 HydrophobicContact CG-CB 4.13Å; E48-K77 HydrophobicContact CG-CD 4.37Å; E48-K77 HydrophobicContact CG-CG 4.12Å; E48-K77 IonicContact OE1-NZ 2.8Å; E48-K77 VanDerWaalsContact OE2-CD 3.28Å; E48-K77 WeakPolarHBondContact OE2-CD 3.24Å; E48-K77 WeakPolarHBondContact OE2-CE 3.33Å; E48-K77 IonicContact OE2-NZ 2.66Å; E48-K77 PolarHBondContact OE2-NZ 3.18Å; L49-K77 PolarHBondContact N-O 3.17Å; T75-K77 VanDerWaalsContact C-N 3.32Å; T75-K77 WeakPolarHBondContact CG2-O 3.17Å; T75-K77 PolarHBondContact O-N 2.78Å; K77-V79 HydrophobicContact CD-CG1 4.36Å; K77-V79 HydrophobicContact CG-CG1 3.91Å
78I98.7Very high98Very high7 Ų767.2 Ų67.24%0.03636%0.359CS..EExtended strand (participates in β ladder)trans-123121.9173.6-55.8178.3000106.7L41 L49 M63 L66 Q67 L73 T75L41-I78 HydrophobicContact CD1-CD1 4.03Å; L41-I78 HydrophobicContact CD2-CD1 4Å; L41-I78 HydrophobicContact CD2-CG1 4.3Å; L49-I78 HydrophobicContact CB-CG1 4.47Å; L49-I78 HydrophobicContact CD2-CG2 4.39Å; L49-I78 WeakPolarHBondContact O-CA 3.48Å; M63-I78 HydrophobicContact CG-CG2 4.41Å; L66-I78 HydrophobicContact CB-CD1 3.93Å; L66-I78 HydrophobicContact CB-CG2 4.26Å; L66-I78 HydrophobicContact CD1-CG2 4.44Å; Q67-I78 HydrophobicContact CG-CB 4.08Å; Q67-I78 HydrophobicContact CG-CG2 4.45Å; Q67-I78 PolarHBondContact NE2-O 3.27Å; L73-I78 HydrophobicContact CD1-CD1 4.15Å; T75-I78 HydrophobicContact CG2-CG1 4.4Å
79V98.6Very high98Very high31 Ų3165.5 Ų65.519%0.18835%0.354CS..EExtended strand (participates in β ladder)trans-131.6155.2-178.3-69.60000110.5E48 L49 A50 L51 K77 V86E48-V79 HydrophobicContact CG-CG2 4.49Å; L49-V79 PolarHBondContact O-N 2.96Å; A50-V79 CarbonylContact C-O 3.54Å; A50-V79 VanDerWaalsContact CA-O 3.31Å; A50-V79 WeakPolarHBondContact CA-O 3.41Å; A50-V79 HydrophobicContact CB-CG2 3.93Å; L51-V79 PolarHBondContact N-O 3.31Å; K77-V79 HydrophobicContact CD-CG1 4.36Å; K77-V79 HydrophobicContact CG-CG1 3.91Å; V79-V86 HydrophobicContact CB-CG2 3.95Å; V79-V86 HydrophobicContact CG2-CG2 3.62Å
80A98.6Very high98Very high21 Ų2164.8 Ų64.817%0.17435%0.346CS..EExtended strand (participates in β ladder)trans-149.1140.5175.800000110.9L51 L59 M63L51-A80 HydrophobicContact CB-CB 3.87Å; L51-A80 VanDerWaalsContact O-CA 3.24Å; L51-A80 WeakPolarHBondContact O-CA 3.46Å; L59-A80 HydrophobicContact CD1-CB 3.73Å; L59-A80 HydrophobicContact CD2-CB 4.32Å; L59-A80 HydrophobicContact CG-CB 3.77Å; M63-A80 HydrophobicContact CB-CB 3.65Å; M63-A80 HydrophobicContact CG-CB 3.76Å; M63-A80 HydrophobicContact SD-CB 3.62Å; M63-A80 PolarHBondContact SD-N 3.05Å
81D98.3Very high98Very high77 Ų7765.6 Ų65.641%0.41234%0.341SS..  trans-156.4155.1173.7-154-55.5000109.7L51 V52 L59 D83 V86L51-D81 PolarHBondContact O-N 3.08Å; V52-D81 WeakPolarHBondContact CA-O 3.4Å; L59-D81 VanDerWaalsContact CD2-C 3.4Å; L59-D81 WeakPolarHBondContact CD2-O 3.31Å; D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact OD1-N 3.13Å; D81-V86 HydrophobicContact CB-CB 3.72Å; D81-V86 HydrophobicContact CB-CG1 3.86Å; D81-V86 HydrophobicContact CB-CG2 4.09Å
82K97.5Very high98.1Very high116 Ų11658.3 Ų58.350%0.50430%0.303SS..SBendtrans-72.5-27.3168.570.5-179.8178.3-173.70111.5E56E56-K82 HydrophobicContact CG-CD 4.1Å; E56-K82 VanDerWaalsContact OE1-CD 3.23Å; E56-K82 WeakPolarHBondContact OE1-CD 3.29Å; E56-K82 WeakPolarHBondContact OE1-CE 3.46Å; E56-K82 IonicContact OE1-NZ 3.68Å; E56-K82 PolarHBondContact OE1-NZ 2.96Å
83D98.1Very high98.1Very high88 Ų8850.2 Ų50.247%0.47127%0.268SS..SBendtrans-77.3125.9176.4-168.7-26.7000110.3D81 A85 V86D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact OD1-N 3.13Å; D83-A85 PolarHBondContact O-N 3.15Å; D83-A85 VanDerWaalsContact O-N 3.08Å; D83-A85 WeakPolarHBondContact OD1-CB 3.17Å; D83-A85 PolarHBondContact OD1-N 3.11Å; D83-V86 VanDerWaalsContact O-CG1 3.25Å; D83-V86 WeakPolarHBondContact O-CG1 3.44Å; D83-V86 PolarHBondContact O-N 2.93Å; D83-V86 VanDerWaalsContact O-N 3.14Å
84Y98.5Very high98.2Very high30 Ų3048.6 Ų48.612%0.11826%0.259CS..G310 helixtrans-64.4-11.2178.7-77-96.8000113.8V27 V52 V86 T87 I121 Q124 I125V27-Y84 HydrophobicContact CG1-CE1 4.44Å; V27-Y84 HydrophobicContact CG2-CE1 4.34Å; V52-Y84 HydrophobicContact CG1-CD1 4.39Å; V52-Y84 HydrophobicContact CG1-CD2 4.34Å; V52-Y84 HydrophobicContact CG1-CE1 3.98Å; V52-Y84 HydrophobicContact CG1-CE2 3.92Å; Y84-V86 PolarHBondContact O-N 2.87Å; Y84-T87 HydrophobicContact CD1-CG2 4.15Å; Y84-T87 WeakPolarHBondContact O-CA 3.39Å; Y84-T87 VanDerWaalsContact O-CB 3.32Å; Y84-T87 WeakPolarHBondContact O-CB 3.32Å; Y84-T87 WeakPolarHBondContact O-CG2 3.41Å; Y84-T87 PolarHBondContact O-N 3.25Å; Y84-T87 PolarHBondContact O-OG1 2.95Å; Y84-I121 HydrophobicContact CE1-CG2 4.12Å; Y84-I121 WeakPolarHBondContact OH-CG1 3.26Å; Y84-I121 WeakPolarHBondContact OH-CG2 3.44Å; Y84-Q124 HydrophobicContact CD1-CB 3.82Å; Y84-Q124 HydrophobicContact CD2-CB 3.73Å; Y84-Q124 HydrophobicContact CD2-CG 4.13Å; Y84-Q124 HydrophobicContact CE1-CB 4.42Å; Y84-Q124 HydrophobicContact CE2-CB 4.34Å; Y84-Q124 HydrophobicContact CG-CB 3.44Å; Y84-Q124 VanDerWaalsContact CG-CB 3.44Å; Y84-Q124 HydrophobicContact CG-CG 4.32Å; Y84-I125 HydrophobicContact CD1-CG1 3.81Å; Y84-I125 HydrophobicContact CE1-CD1 4.37Å; Y84-I125 HydrophobicContact CE1-CG1 3.68Å
85A98.4Very high98.2Very high48 Ų4840.9 Ų40.940%0.39723%0.226SC..G310 helixtrans-53.6-31.6168.800000112.5D83 T87 A88D83-A85 PolarHBondContact O-N 3.15Å; D83-A85 VanDerWaalsContact O-N 3.08Å; D83-A85 WeakPolarHBondContact OD1-CB 3.17Å; D83-A85 PolarHBondContact OD1-N 3.11Å; A85-T87 PolarHBondContact O-N 2.93Å; A85-T87 VanDerWaalsContact O-N 3.14Å; A85-A88 WeakPolarHBondContact O-CB 3.41Å; A85-A88 PolarHBondContact O-N 3.27Å; A85-A88 VanDerWaalsContact O-N 3.15Å
86V98.4Very high98.2Very high27 Ų2741.7 Ų41.716%0.16423%0.231CC..G310 helixtrans-61.9-20.917579.10000112.7K23 V52 V79 D81 D83 Y84 A88K23-V86 WeakPolarHBondContact CE-O 3.29Å; K23-V86 PolarHBondContact NZ-O 3.47Å; V52-V86 HydrophobicContact CG2-CG1 3.55Å; V79-V86 HydrophobicContact CB-CG2 3.95Å; V79-V86 HydrophobicContact CG2-CG2 3.62Å; D81-V86 HydrophobicContact CB-CB 3.72Å; D81-V86 HydrophobicContact CB-CG1 3.86Å; D81-V86 HydrophobicContact CB-CG2 4.09Å; D83-V86 VanDerWaalsContact O-CG1 3.25Å; D83-V86 WeakPolarHBondContact O-CG1 3.44Å; D83-V86 PolarHBondContact O-N 2.93Å; D83-V86 VanDerWaalsContact O-N 3.14Å; Y84-V86 PolarHBondContact O-N 2.87Å; V86-A88 VanDerWaalsContact C-N 3.32Å
87T98.6Very high98.3Very high0 Ų037.6 Ų37.60%020%0.204CC..G310 helixtrans-86.60.3-179.275.60000113.5T25 V52 Y84 A85 N89 S90 S129T25-T87 HydrophobicContact CG2-CG2 3.55Å; V52-T87 HydrophobicContact CG2-CG2 3.34Å; Y84-T87 HydrophobicContact CD1-CG2 4.15Å; Y84-T87 WeakPolarHBondContact O-CA 3.39Å; Y84-T87 VanDerWaalsContact O-CB 3.32Å; Y84-T87 WeakPolarHBondContact O-CB 3.32Å; Y84-T87 WeakPolarHBondContact O-CG2 3.41Å; Y84-T87 PolarHBondContact O-N 3.25Å; Y84-T87 PolarHBondContact O-OG1 2.95Å; A85-T87 PolarHBondContact O-N 2.93Å; A85-T87 VanDerWaalsContact O-N 3.14Å; T87-N89 PolarHBondContact O-N 3.27Å; T87-S90 WeakPolarHBondContact O-CB 3.45Å; T87-S90 PolarHBondContact O-N 3.37Å; T87-S90 PolarHBondContact O-OG 3.23Å; T87-S129 PolarHBondContact O-OG 2.95Å
88A98.4Very high98Very high28 Ų2835 Ų3523%0.23121%0.205CC..THydrogen-bonded Turntrans-57.7138.3-174.100000112.7K23 A85 V86 S90 H128K23-A88 WeakPolarHBondContact CD-O 3.41Å; K23-A88 WeakPolarHBondContact CE-O 3.3Å; K23-A88 PolarHBondContact NZ-O 3.08Å; A85-A88 WeakPolarHBondContact O-CB 3.41Å; A85-A88 PolarHBondContact O-N 3.27Å; A85-A88 VanDerWaalsContact O-N 3.15Å; V86-A88 VanDerWaalsContact C-N 3.32Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 2.96Å; A88-H128 WeakPolarHBondContact CA-O 3.48Å; A88-H128 HydrophobicContact CB-CB 4.34Å
89N97.9Very high97.5Very high103 Ų10336.7 Ų36.755%0.55122%0.215SC*.THydrogen-bonded Turntrans64.726.6-179.8-50.6-58.9000115.2T87 H128 S129T87-N89 PolarHBondContact O-N 3.27Å; N89-H128 PolarHBondContact N-O 3.22Å; N89-S129 PolarHBondContact N-OG 3.01Å
90S98.8Very high96.8Very high4 Ų443.4 Ų43.43%0.02824%0.237CC..  trans-68.9134.1172.6-69.30000111.5K23 T25 T87 A88 S129 C132K23-S90 WeakPolarHBondContact CD-OG 3.41Å; K23-S90 WeakPolarHBondContact CE-OG 3.49Å; K23-S90 WeakPolarHBondContact CG-OG 3.44Å; T25-S90 PolarHBondContact OG1-OG 3.23Å; T87-S90 WeakPolarHBondContact O-CB 3.45Å; T87-S90 PolarHBondContact O-N 3.37Å; T87-S90 PolarHBondContact O-OG 3.23Å; A88-S90 VanDerWaalsContact C-N 3.33Å; A88-S90 PolarHBondContact O-N 2.96Å; S90-S129 PolarHBondContact N-OG 3.41Å; S90-C132 WeakPolarHBondContact O-CB 3.03Å
91R98.3Very high96Very high69 Ų6948 Ų4826%0.2626%0.255SS..SBendtrans-79.9-39.4172.8-176.3173.2174.5164.8-5.1111.1N22 K23 C132 T133 I264 I265 S298N22-R91 PolarHBondContact OD1-NH1 2.96Å; K23-R91 PolarHBondContact O-N 3.4Å; R91-C132 WeakPolarHBondContact O-CA 3.41Å; R91-T133 PolarHBondContact O-N 3.31Å; R91-I264 PolarHBondContact NH2-O 3.07Å; R91-I264 VanDerWaalsContact NH2-O 3.17Å; R91-I265 PolarHBondContact NH2-O 2.93Å; R91-S298 VanDerWaalsContact NH2-CB 3.31Å
92I98.8Very high95.4Very high0 Ų050 Ų500%026%0.262CS..EExtended strand (participates in β ladder)trans-129.6137.7176.6-62.9-179.4000109.2K23 V24 T25 V94 T133 I135 T261 I264 I265K23-I92 PolarHBondContact O-N 3.41Å; V24-I92 WeakPolarHBondContact CA-O 3.47Å; V24-I92 HydrophobicContact CG2-CB 4.45Å; T25-I92 PolarHBondContact N-O 2.87Å; I92-V94 HydrophobicContact CG2-CG2 4.31Å; I92-T133 WeakPolarHBondContact CA-O 3.28Å; I92-I135 HydrophobicContact CG2-CD1 3.69Å; I92-I135 HydrophobicContact CG2-CG1 4.06Å; I92-T261 HydrophobicContact CD1-CG2 3.85Å; I92-I264 HydrophobicContact CD1-CB 3.74Å; I92-I264 HydrophobicContact CD1-CD1 4.37Å; I92-I264 HydrophobicContact CD1-CG2 3.61Å; I92-I264 HydrophobicContact CG1-CG2 4.1Å; I92-I265 HydrophobicContact CD1-CD1 4.01Å; I92-I265 HydrophobicContact CD1-CG1 3.51Å; I92-I265 HydrophobicContact CG1-CG1 4.32Å
93V98.9Very high94.6Very high0 Ų054.2 Ų54.20%028%0.283CS..EExtended strand (participates in β ladder)trans-123.9118.3170.9-173.30000109.6T25 V27 V95 I125 C132 T133 L134 I135T25-V93 HydrophobicContact CG2-CG1 3.89Å; T25-V93 CarbonylContact O-C 3.53Å; T25-V93 WeakPolarHBondContact O-CA 3.29Å; V27-V93 HydrophobicContact CG2-CG1 3.86Å; V93-V95 HydrophobicContact CG1-CG2 4.48Å; V93-I125 HydrophobicContact CB-CG2 4.01Å; V93-I125 HydrophobicContact CG1-CD1 3.84Å; V93-I125 HydrophobicContact CG1-CG1 4.26Å; V93-I125 HydrophobicContact CG1-CG2 3.92Å; V93-I125 HydrophobicContact CG2-CG2 3.71Å; V93-C132 HydrophobicContact CG2-CB 4Å; V93-T133 PolarHBondContact N-O 2.81Å; V93-L134 HydrophobicContact CB-CD2 3.8Å; V93-L134 HydrophobicContact CG1-CD2 4.44Å; V93-L134 HydrophobicContact CG2-CD2 4.4Å; V93-L134 WeakPolarHBondContact O-CA 3.39Å; V93-I135 PolarHBondContact O-N 2.93Å
94V98.9Very high93.9Very high0 Ų054.1 Ų54.10%030%0.303CS..EExtended strand (participates in β ladder)trans-91.5118.7175.9-179.40000108.5T25 V26 V27 C36 I92 I135 V137 V257T25-V94 PolarHBondContact O-N 3.49Å; V26-V94 HydrophobicContact CG2-CB 4.34Å; V27-V94 PolarHBondContact N-O 2.91Å; C36-V94 HydrophobicContact CB-CG1 4.45Å; I92-V94 HydrophobicContact CG2-CG2 4.31Å; V94-I135 CarbonylContact C-O 3.49Å; V94-I135 WeakPolarHBondContact CA-O 3.17Å; V94-I135 HydrophobicContact CG2-CB 4.47Å; V94-V137 HydrophobicContact CG1-CG2 3.66Å; V94-V257 HydrophobicContact CG1-CG1 3.87Å; V94-V257 HydrophobicContact CG2-CG1 3.79Å
95V98.8Very high93.4Very high0 Ų053.8 Ų53.80%030%0.303CS..EExtended strand (participates in β ladder)trans-101.5103.8178.9-173.50000108.9V93 F118 I122 I125 I135 V137 S138V93-V95 HydrophobicContact CG1-CG2 4.48Å; V95-F118 HydrophobicContact CG1-CE1 4.16Å; V95-F118 HydrophobicContact CG1-CE2 4.09Å; V95-F118 HydrophobicContact CG1-CZ 3.64Å; V95-I122 HydrophobicContact CG1-CD1 4.42Å; V95-I122 HydrophobicContact CG2-CD1 4.04Å; V95-I125 HydrophobicContact CG2-CD1 4Å; V95-I135 PolarHBondContact N-O 3.33Å; V95-V137 PolarHBondContact O-N 2.99Å; V95-S138 PolarHBondContact O-N 3.42Å; V95-S138 PolarHBondContact O-OG 3.16Å
96S98.1Very high92.8Very high22 Ų2254 Ų5415%0.15430%0.302CS..  trans-115.3-3.8178.474.90000113.4V27 G28 G33 S138V27-S96 CarbonylContact O-C 3.54Å; V27-S96 WeakPolarHBondContact O-CA 3.42Å; V27-S96 PolarHBondContact O-N 2.88Å; V27-S96 PolarHBondContact O-OG 3.42Å; G28-S96 PolarHBondContact O-OG 3.29Å; G33-S96 VanDerWaalsContact CA-OG 3.32Å; G33-S96 WeakPolarHBondContact CA-OG 3.43Å; S96-S138 VanDerWaalsContact C-OG 3.27Å; S96-S138 WeakPolarHBondContact CA-OG 3.22Å
97A95.4Very high92.2Very high20 Ų2056.7 Ų56.717%0.16531%0.309CS..  trans-68.7134.2174.500000110.6V27 F118 I121 S138V27-A97 HydrophobicContact CG1-CB 4.08Å; V27-A97 PolarHBondContact O-N 3.33Å; A97-F118 WeakPolarHBondContact O-CE1 3.22Å; A97-I121 HydrophobicContact CB-CD1 3.7Å; A97-S138 WeakPolarHBondContact O-CB 3.41Å; A97-S138 PolarHBondContact O-OG 2.89Å
98G91Very high91.7Very high43 Ų4359.6 Ų59.644%0.44332%0.324SS..  trans176.3167.4178.500000111.1N114G98-N114 WeakPolarHBondContact CA-OD1 3.19Å
99V88.8Confident91.2Very high43 Ų4362.7 Ų62.726%0.26134%0.337SS..PPolyproline II helixtrans-96.8146.2174.5-72.60000110.6L110 R113 N114 I117V99-L110 HydrophobicContact CG2-CD1 4.18Å; V99-L110 WeakPolarHBondContact O-CD1 3.2Å; V99-R113 HydrophobicContact CG2-CB 3.87Å; V99-N114 WeakPolarHBondContact CG2-ND2 3.46Å; V99-N114 PolarHBondContact N-OD1 3.42Å; V99-N114 PolarHBondContact O-ND2 3.34Å; V99-I117 HydrophobicContact CB-CD1 4.35Å; V99-I117 HydrophobicContact CG1-CD1 3.54Å; V99-I117 HydrophobicContact CG2-CD1 4.13Å
100R84.4Confident90.9Very high172 Ų17258.5 Ų58.565%0.64931%0.314SS*.PPolyproline II helixtrans-80.5151.9172.1-61.6-177.5-176.1-168.2-0.1110Q102 G247R100-Q102 PolarHBondContact O-N 2.89Å; R100-G247 PolarHBondContact NH1-O 3.24Å
101Q82Confident90.6Very high117 Ų11758.3 Ų58.355%0.54731%0.313SS..PPolyproline II helixtrans-58.9131.9170.6-160.71711.200110.2E105 L110Q101-E105 WeakPolarHBondContact CA-OE2 3.47Å; Q101-E105 HydrophobicContact CG-CB 4.12Å; Q101-E105 PolarHBondContact NE2-O 2.93Å; Q101-L110 HydrophobicContact CB-CD1 4.39Å; Q101-L110 HydrophobicContact CB-CD2 3.77Å; Q101-L110 HydrophobicContact CG-CD2 4.01Å
102Q84.9Confident90.3Very high120 Ų12056.9 Ų56.956%0.56131%0.309SS*.PPolyproline II helixtrans-85.9156170.6-66.3176.2-10.700110.3R100 G104 E105R100-Q102 PolarHBondContact O-N 2.89Å; Q102-G104 PolarHBondContact O-N 3.16Å; Q102-E105 HydrophobicContact CB-CB 4.08Å; Q102-E105 PolarHBondContact N-OE2 3.47Å; Q102-E105 WeakPolarHBondContact O-CB 3.33Å; Q102-E105 PolarHBondContact O-N 3.5Å
103E80.6Confident90.1Very high204 Ų20460.5 Ų60.595%0.95332%0.323SS*.THydrogen-bonded Turntrans-59.8128.5176.5-169.3174.8179.300110.4E105E103-E105 PolarHBondContact O-N 2.6Å
104G84.2Confident89.9Confident86 Ų8660.5 Ų60.589%0.88732%0.323SS*.THydrogen-bonded Turntrans760.2-175.500000115.6Q102Q102-G104 PolarHBondContact O-N 3.16Å
105E88.3Confident89.7Confident24 Ų2460.5 Ų60.511%0.11232%0.323CS..  trans-74.6131.6178.5-176175.6-145.100111.7Q101 Q102 E103 N109 L110 R113Q101-E105 WeakPolarHBondContact CA-OE2 3.47Å; Q101-E105 HydrophobicContact CG-CB 4.12Å; Q101-E105 PolarHBondContact NE2-O 2.93Å; Q102-E105 HydrophobicContact CB-CB 4.08Å; Q102-E105 PolarHBondContact N-OE2 3.47Å; Q102-E105 WeakPolarHBondContact O-CB 3.33Å; Q102-E105 PolarHBondContact O-N 3.5Å; E103-E105 PolarHBondContact O-N 2.6Å; E105-N109 HydrophobicContact CG-CB 3.93Å; E105-L110 HydrophobicContact CG-CB 4.38Å; E105-L110 PolarHBondContact OE1-N 3.11Å; E105-R113 WeakPolarHBondContact OE1-CD 3.21Å; E105-R113 IonicContact OE1-CZ 3.78Å; E105-R113 IonicContact OE1-NE 2.8Å; E105-R113 IonicContact OE1-NH1 2.95Å; E105-R113 PolarHBondContact OE1-NH1 3.48Å; E105-R113 IonicContact OE2-NH1 3.09Å; E105-R113 PolarHBondContact OE2-NH1 3.04Å
106S86.1Confident89.6Confident53 Ų5364 Ų6437%0.37134%0.342SS..  trans-69.6150.5173.873.10000111.5L108 N109 L110S106-L108 PolarHBondContact O-N 2.96Å; S106-N109 PolarHBondContact O-N 2.59Å; S106-N109 VanDerWaalsContact O-N 3.13Å; S106-N109 WeakPolarHBondContact OG-CB 2.97Å; S106-N109 PolarHBondContact OG-N 2.83Å; S106-N109 PolarHBondContact OG-ND2 3.42Å; S106-L110 PolarHBondContact O-N 2.98Å; S106-L110 VanDerWaalsContact O-N 3.07Å
107R85Confident89.4Confident82 Ų8265.4 Ų65.431%0.30935%0.347SS..Hα-helixtrans-56.3-39.2176.6-172.5170.9179.9173.90.4112.3L110 V111 E193 I327R107-L110 PolarHBondContact O-N 3.39Å; R107-V111 VanDerWaalsContact O-CG2 3.27Å; R107-V111 WeakPolarHBondContact O-CG2 3.48Å; R107-V111 PolarHBondContact O-N 2.83Å; R107-E193 IonicContact CZ-OE1 3.81Å; R107-E193 IonicContact NH1-OE1 2.74Å; R107-E193 PolarHBondContact NH1-OE1 3.49Å; R107-E193 IonicContact NH2-OE1 3.83Å; R107-E193 PolarHBondContact NH2-OE1 2.79Å; R107-I327 HydrophobicContact CG-CD1 4.05Å
108L87.3Confident89.6Confident61 Ų6164.4 Ų64.432%0.31934%0.339SS..Hα-helixtrans-62.9-44.1177.3-17763.7000112S106 V111 Q112 I327 D330 L331S106-L108 PolarHBondContact O-N 2.96Å; L108-V111 PolarHBondContact O-N 2.8Å; L108-Q112 PolarHBondContact O-N 2.95Å; L108-I327 HydrophobicContact CD1-CG2 4.15Å; L108-D330 HydrophobicContact CD1-CB 4.08Å; L108-D330 HydrophobicContact CD2-CB 4.23Å; L108-L331 HydrophobicContact CD1-CD2 4.14Å
109N89.1Confident89.9Confident94 Ų9465 Ų6550%0.50333%0.329SS..Hα-helixtrans-65-42.7178.7-71.8-11.3000112E105 S106 V111 Q112 R113E105-N109 HydrophobicContact CG-CB 3.93Å; S106-N109 PolarHBondContact O-N 2.59Å; S106-N109 VanDerWaalsContact O-N 3.13Å; S106-N109 WeakPolarHBondContact OG-CB 2.97Å; S106-N109 PolarHBondContact OG-N 2.83Å; S106-N109 PolarHBondContact OG-ND2 3.42Å; N109-V111 VanDerWaalsContact C-N 3.31Å; N109-V111 PolarHBondContact O-N 2.89Å; N109-Q112 PolarHBondContact O-N 3.4Å; N109-R113 WeakPolarHBondContact O-CG 3.15Å; N109-R113 PolarHBondContact O-N 3.34Å
110L90.8Very high90.2Very high15 Ų1570 Ų708%0.07935%0.349CS..Hα-helixtrans-57.3-46.3173.9172.562.7000111.3V99 Q101 E105 S106 R107 R113 N114V99-L110 HydrophobicContact CG2-CD1 4.18Å; V99-L110 WeakPolarHBondContact O-CD1 3.2Å; Q101-L110 HydrophobicContact CB-CD1 4.39Å; Q101-L110 HydrophobicContact CB-CD2 3.77Å; Q101-L110 HydrophobicContact CG-CD2 4.01Å; E105-L110 HydrophobicContact CG-CB 4.38Å; E105-L110 PolarHBondContact OE1-N 3.11Å; S106-L110 PolarHBondContact O-N 2.98Å; S106-L110 VanDerWaalsContact O-N 3.07Å; R107-L110 PolarHBondContact O-N 3.39Å; L110-R113 PolarHBondContact O-N 3.3Å; L110-N114 PolarHBondContact O-N 3.14Å; L110-N114 VanDerWaalsContact O-N 3.15Å; L110-N114 PolarHBondContact O-ND2 2.87Å
111V92.1Very high90.9Very high0 Ų062.3 Ų62.30%032%0.321CS..Hα-helixtrans-61.8-50177.5175.60000110.1R107 L108 N109 R113 N114 V115 P140 V143 I327 L331R107-V111 VanDerWaalsContact O-CG2 3.27Å; R107-V111 WeakPolarHBondContact O-CG2 3.48Å; R107-V111 PolarHBondContact O-N 2.83Å; L108-V111 PolarHBondContact O-N 2.8Å; N109-V111 VanDerWaalsContact C-N 3.31Å; N109-V111 PolarHBondContact O-N 2.89Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 PolarHBondContact O-N 3Å; V111-N114 CarbonylContact O-C 3.48Å; V111-N114 WeakPolarHBondContact O-CA 3.36Å; V111-N114 PolarHBondContact O-N 2.93Å; V111-V115 HydrophobicContact CG1-CG2 4.07Å; V111-V115 WeakPolarHBondContact O-CG2 3.23Å; V111-V115 PolarHBondContact O-N 3.14Å; V111-P140 HydrophobicContact CG2-CG 3.33Å; V111-V143 HydrophobicContact CG1-CG1 3.58Å; V111-V143 HydrophobicContact CG2-CG1 4.39Å; V111-I327 HydrophobicContact CG2-CG2 4.17Å; V111-L331 HydrophobicContact CB-CD2 4.23Å; V111-L331 HydrophobicContact CG1-CD1 4.18Å; V111-L331 HydrophobicContact CG1-CD2 3.42Å; V111-L331 VanDerWaalsContact CG1-CD2 3.42Å; V111-L331 HydrophobicContact CG1-CG 4.45Å
112Q93.4Very high91.7Very high38 Ų3856.8 Ų56.818%0.17830%0.295CS..Hα-helixtrans-59.5-36.8-177.7-170.563.760.900112.7L108 N109 V115 N116 K332L108-Q112 PolarHBondContact O-N 2.95Å; N109-Q112 PolarHBondContact O-N 3.4Å; Q112-V115 WeakPolarHBondContact O-CB 3.22Å; Q112-V115 PolarHBondContact O-N 3.07Å; Q112-N116 VanDerWaalsContact O-CG 3.3Å; Q112-N116 PolarHBondContact O-N 3.13Å; Q112-N116 PolarHBondContact O-ND2 2.99Å; Q112-K332 PolarHBondContact NE2-O 3.45Å
113R94.4Very high92.3Very high76 Ų7653.6 Ų53.629%0.28729%0.285SS..Hα-helixtrans-64.2-43.6173.1-72.816963.2-150.8-3.4112V99 E105 N109 L110 V111 V115 N116 I117V99-R113 HydrophobicContact CG2-CB 3.87Å; E105-R113 WeakPolarHBondContact OE1-CD 3.21Å; E105-R113 IonicContact OE1-CZ 3.78Å; E105-R113 IonicContact OE1-NE 2.8Å; E105-R113 IonicContact OE1-NH1 2.95Å; E105-R113 PolarHBondContact OE1-NH1 3.48Å; E105-R113 IonicContact OE2-NH1 3.09Å; E105-R113 PolarHBondContact OE2-NH1 3.04Å; N109-R113 WeakPolarHBondContact O-CG 3.15Å; N109-R113 PolarHBondContact O-N 3.34Å; L110-R113 PolarHBondContact O-N 3.3Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 PolarHBondContact O-N 3Å; R113-V115 VanDerWaalsContact C-N 3.35Å; R113-N116 PolarHBondContact O-N 3.26Å; R113-I117 WeakPolarHBondContact O-CG1 3.42Å; R113-I117 PolarHBondContact O-N 2.78Å; R113-I117 VanDerWaalsContact O-N 3.15Å
114N95.1Very high93.2Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-66-35.9174.8-79.5-64.2000112.1G98 V99 L110 V111 N116 I117 F118 L144G98-N114 WeakPolarHBondContact CA-OD1 3.19Å; V99-N114 WeakPolarHBondContact CG2-ND2 3.46Å; V99-N114 PolarHBondContact N-OD1 3.42Å; V99-N114 PolarHBondContact O-ND2 3.34Å; L110-N114 PolarHBondContact O-N 3.14Å; L110-N114 VanDerWaalsContact O-N 3.15Å; L110-N114 PolarHBondContact O-ND2 2.87Å; V111-N114 CarbonylContact O-C 3.48Å; V111-N114 WeakPolarHBondContact O-CA 3.36Å; V111-N114 PolarHBondContact O-N 2.93Å; N114-N116 VanDerWaalsContact C-N 3.32Å; N114-N116 PolarHBondContact O-N 3.23Å; N114-I117 PolarHBondContact O-N 3.49Å; N114-F118 WeakPolarHBondContact O-CB 3.31Å; N114-F118 WeakPolarHBondContact O-CD1 3.22Å; N114-F118 PolarHBondContact O-N 3.35Å; N114-L144 HydrophobicContact CB-CD1 3.86Å; N114-L144 HydrophobicContact CB-CD2 3.65Å; N114-L144 HydrophobicContact CB-CG 4.41Å
115V95Very high93.9Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-57.1-46.8171.71730000110.5V111 Q112 R113 I117 F118 K119 V147 L331 I334V111-V115 HydrophobicContact CG1-CG2 4.07Å; V111-V115 WeakPolarHBondContact O-CG2 3.23Å; V111-V115 PolarHBondContact O-N 3.14Å; Q112-V115 WeakPolarHBondContact O-CB 3.22Å; Q112-V115 PolarHBondContact O-N 3.07Å; R113-V115 VanDerWaalsContact C-N 3.35Å; V115-I117 VanDerWaalsContact C-N 3.29Å; V115-I117 PolarHBondContact O-N 3.34Å; V115-F118 PolarHBondContact O-N 2.67Å; V115-F118 VanDerWaalsContact O-N 3.11Å; V115-K119 WeakPolarHBondContact O-CG 2.75Å; V115-K119 PolarHBondContact O-N 3.24Å; V115-V147 HydrophobicContact CB-CG1 4.46Å; V115-V147 HydrophobicContact CG1-CG1 4.29Å; V115-V147 HydrophobicContact CG2-CG1 4.03Å; V115-V147 HydrophobicContact CG2-CG2 3.69Å; V115-L331 HydrophobicContact CG2-CD2 4.39Å; V115-I334 HydrophobicContact CG1-CD1 4.35Å; V115-I334 HydrophobicContact CG1-CG1 3.89Å; V115-I334 HydrophobicContact CG2-CD1 4.27Å
116N94.9Very high94.4Very high74 Ų7443.2 Ų43.240%0.39622%0.215SC..Hα-helixtrans-61.9-37.8179-67.3-19.1000112.3Q112 R113 N114 H120Q112-N116 VanDerWaalsContact O-CG 3.3Å; Q112-N116 PolarHBondContact O-N 3.13Å; Q112-N116 PolarHBondContact O-ND2 2.99Å; R113-N116 PolarHBondContact O-N 3.26Å; N114-N116 VanDerWaalsContact C-N 3.32Å; N114-N116 PolarHBondContact O-N 3.23Å; N116-H120 PolarHBondContact O-CD2 2.89Å
117I95.7Very high94.9Very high51 Ų5147.4 Ų47.426%0.26223%0.226SC..Hα-helixtrans-65-46.6172.8-66.2167.4000110.2V99 R113 N114 V115 K119 H120 I121V99-I117 HydrophobicContact CB-CD1 4.35Å; V99-I117 HydrophobicContact CG1-CD1 3.54Å; V99-I117 HydrophobicContact CG2-CD1 4.13Å; R113-I117 WeakPolarHBondContact O-CG1 3.42Å; R113-I117 PolarHBondContact O-N 2.78Å; R113-I117 VanDerWaalsContact O-N 3.15Å; N114-I117 PolarHBondContact O-N 3.49Å; V115-I117 VanDerWaalsContact C-N 3.29Å; V115-I117 PolarHBondContact O-N 3.34Å; I117-K119 VanDerWaalsContact C-N 3.26Å; I117-K119 PolarHBondContact O-N 3.39Å; I117-H120 PolarHBondContact O-N 3.44Å; I117-I121 HydrophobicContact CG2-CD1 3.5Å; I117-I121 HydrophobicContact CG2-CG1 4.14Å; I117-I121 WeakPolarHBondContact O-CG1 3.27Å; I117-I121 PolarHBondContact O-N 3.15Å
118F98.1Very high95.6Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-64-29.8-176.1-85.643.6000112.8V95 A97 N114 V115 H120 I121 I122 V136 L144 V147 T148 L151V95-F118 HydrophobicContact CG1-CE1 4.16Å; V95-F118 HydrophobicContact CG1-CE2 4.09Å; V95-F118 HydrophobicContact CG1-CZ 3.64Å; A97-F118 WeakPolarHBondContact O-CE1 3.22Å; N114-F118 WeakPolarHBondContact O-CB 3.31Å; N114-F118 WeakPolarHBondContact O-CD1 3.22Å; N114-F118 PolarHBondContact O-N 3.35Å; V115-F118 PolarHBondContact O-N 2.67Å; V115-F118 VanDerWaalsContact O-N 3.11Å; F118-H120 PolarHBondContact O-N 2.72Å; F118-I121 PolarHBondContact O-N 3.22Å; F118-I121 VanDerWaalsContact O-N 3.17Å; F118-I122 HydrophobicContact CB-CG1 4.07Å; F118-I122 HydrophobicContact CD2-CD1 4.05Å; F118-I122 HydrophobicContact CD2-CG1 3.83Å; F118-I122 HydrophobicContact CE2-CD1 4.37Å; F118-I122 HydrophobicContact CG-CG1 4.19Å; F118-I122 WeakPolarHBondContact O-CB 3.41Å; F118-I122 WeakPolarHBondContact O-CG1 3.3Å; F118-I122 PolarHBondContact O-N 2.9Å; F118-V136 HydrophobicContact CE2-CG1 4.08Å; F118-V136 HydrophobicContact CZ-CG1 4.27Å; F118-L144 HydrophobicContact CE1-CD1 4.37Å; F118-L144 HydrophobicContact CE2-CB 4.06Å; F118-L144 HydrophobicContact CZ-CB 4.27Å; F118-L144 HydrophobicContact CZ-CD1 4.14Å; F118-V147 HydrophobicContact CB-CG1 4.21Å; F118-V147 HydrophobicContact CD2-CG1 4.44Å; F118-T148 VanDerWaalsContact CD2-OG1 3.28Å; F118-T148 WeakPolarHBondContact CD2-OG1 3.12Å; F118-T148 WeakPolarHBondContact CE2-OG1 3.42Å; F118-L151 HydrophobicContact CB-CD1 3.82Å
119K96.8Very high96.1Very high55 Ų5542.6 Ų42.624%0.23921%0.206CC..Hα-helixtrans-58.3-30.4172.1-74.6173-179.6172.60114V115 I117 P123 L151 D333V115-K119 WeakPolarHBondContact O-CG 2.75Å; V115-K119 PolarHBondContact O-N 3.24Å; I117-K119 VanDerWaalsContact C-N 3.26Å; I117-K119 PolarHBondContact O-N 3.39Å; K119-P123 VanDerWaalsContact O-CD 3.26Å; K119-P123 WeakPolarHBondContact O-CD 3.38Å; K119-P123 WeakPolarHBondContact O-CG 3.4Å; K119-L151 HydrophobicContact CG-CD1 4.12Å; K119-L151 HydrophobicContact CG-CD2 4.03Å; K119-D333 WeakPolarHBondContact CE-O 3.48Å; K119-D333 PolarHBondContact NZ-O 3.28Å
120H96.5Very high96.6Very high147 Ų14741.3 Ų41.368%0.68120%0.203SC*.Hα-helixtrans-89-28.4177.7-61.5-63.6000112.2N116 I117 F118 Q124N116-H120 PolarHBondContact O-CD2 2.89Å; I117-H120 PolarHBondContact O-N 3.44Å; F118-H120 PolarHBondContact O-N 2.72Å; H120-Q124 VanDerWaalsContact O-CG 3.3Å; H120-Q124 WeakPolarHBondContact O-CG 3.3Å
121I98.2Very high96.8Very high12 Ų1246.9 Ų46.96%0.06223%0.233CC..Hα-helixtrans-84.7-59-176.2-61.9-173.8000111.7V27 Y84 A97 I117 F118 Q124 I125V27-I121 HydrophobicContact CG1-CD1 4.18Å; V27-I121 HydrophobicContact CG1-CG2 3.87Å; Y84-I121 HydrophobicContact CE1-CG2 4.12Å; Y84-I121 WeakPolarHBondContact OH-CG1 3.26Å; Y84-I121 WeakPolarHBondContact OH-CG2 3.44Å; A97-I121 HydrophobicContact CB-CD1 3.7Å; I117-I121 HydrophobicContact CG2-CD1 3.5Å; I117-I121 HydrophobicContact CG2-CG1 4.14Å; I117-I121 WeakPolarHBondContact O-CG1 3.27Å; I117-I121 PolarHBondContact O-N 3.15Å; F118-I121 PolarHBondContact O-N 3.22Å; F118-I121 VanDerWaalsContact O-N 3.17Å; I121-Q124 PolarHBondContact O-N 3.28Å; I121-I125 HydrophobicContact CG2-CD1 3.55Å; I121-I125 HydrophobicContact CG2-CG1 4.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.37Å; I121-I125 PolarHBondContact O-N 3.28Å; I121-I125 VanDerWaalsContact O-N 3.12Å
122I98.6Very high97.1Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-63.6-46.1-165.5-58.2-54.9000112.6V95 F118 Q124 I125 V126 L134 T148 L151V95-I122 HydrophobicContact CG1-CD1 4.42Å; V95-I122 HydrophobicContact CG2-CD1 4.04Å; F118-I122 HydrophobicContact CB-CG1 4.07Å; F118-I122 HydrophobicContact CD2-CD1 4.05Å; F118-I122 HydrophobicContact CD2-CG1 3.83Å; F118-I122 HydrophobicContact CE2-CD1 4.37Å; F118-I122 HydrophobicContact CG-CG1 4.19Å; F118-I122 WeakPolarHBondContact O-CB 3.41Å; F118-I122 WeakPolarHBondContact O-CG1 3.3Å; F118-I122 PolarHBondContact O-N 2.9Å; I122-Q124 VanDerWaalsContact C-N 3.29Å; I122-Q124 PolarHBondContact O-N 3.23Å; I122-I125 HydrophobicContact CD1-CD1 4.15Å; I122-I125 PolarHBondContact O-N 3.26Å; I122-V126 PolarHBondContact O-N 3.01Å; I122-V126 VanDerWaalsContact O-N 3.12Å; I122-L134 HydrophobicContact CG2-CD1 4.34Å; I122-T148 HydrophobicContact CD1-CG2 3.76Å; I122-T148 HydrophobicContact CG1-CG2 4.18Å; I122-T148 HydrophobicContact CG2-CG2 4.19Å; I122-L151 HydrophobicContact CB-CB 4.13Å; I122-L151 HydrophobicContact CG2-CB 4.02Å
123P98.6Very high97.4Very high54 Ų5445.3 Ų45.335%0.35123%0.226SC..Hα-helixtrans-61.9-34.8178.1-25.837.4000113.4K119 K127K119-P123 VanDerWaalsContact O-CD 3.26Å; K119-P123 WeakPolarHBondContact O-CD 3.38Å; K119-P123 WeakPolarHBondContact O-CG 3.4Å; P123-K127 VanDerWaalsContact O-CB 3.28Å; P123-K127 WeakPolarHBondContact O-CB 3.5Å; P123-K127 PolarHBondContact O-N 3.22Å
124Q98.6Very high97.6Very high70 Ų7041.7 Ų41.733%0.32721%0.212SC..Hα-helixtrans-68.4-40.6177-64.2-61.9-2900111.5Y84 H120 I121 I122 V126 K127 H128Y84-Q124 HydrophobicContact CD1-CB 3.82Å; Y84-Q124 HydrophobicContact CD2-CB 3.73Å; Y84-Q124 HydrophobicContact CD2-CG 4.13Å; Y84-Q124 HydrophobicContact CE1-CB 4.42Å; Y84-Q124 HydrophobicContact CE2-CB 4.34Å; Y84-Q124 HydrophobicContact CG-CB 3.44Å; Y84-Q124 VanDerWaalsContact CG-CB 3.44Å; Y84-Q124 HydrophobicContact CG-CG 4.32Å; H120-Q124 VanDerWaalsContact O-CG 3.3Å; H120-Q124 WeakPolarHBondContact O-CG 3.3Å; I121-Q124 PolarHBondContact O-N 3.28Å; I122-Q124 VanDerWaalsContact C-N 3.29Å; I122-Q124 PolarHBondContact O-N 3.23Å; Q124-V126 PolarHBondContact O-N 3.46Å; Q124-K127 PolarHBondContact O-N 2.93Å; Q124-H128 PolarHBondContact O-CD2 3.13Å; Q124-H128 PolarHBondContact O-N 3.01Å
125I98.6Very high97.8Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-57.8-52.2174.8-64.8166.1000110.5V27 Y84 V93 V95 I121 I122 K127 H128 S129 L134V27-I125 HydrophobicContact CG2-CD1 3.98Å; V27-I125 HydrophobicContact CG2-CG1 4.43Å; Y84-I125 HydrophobicContact CD1-CG1 3.81Å; Y84-I125 HydrophobicContact CE1-CD1 4.37Å; Y84-I125 HydrophobicContact CE1-CG1 3.68Å; V93-I125 HydrophobicContact CB-CG2 4.01Å; V93-I125 HydrophobicContact CG1-CD1 3.84Å; V93-I125 HydrophobicContact CG1-CG1 4.26Å; V93-I125 HydrophobicContact CG1-CG2 3.92Å; V93-I125 HydrophobicContact CG2-CG2 3.71Å; V95-I125 HydrophobicContact CG2-CD1 4Å; I121-I125 HydrophobicContact CG2-CD1 3.55Å; I121-I125 HydrophobicContact CG2-CG1 4.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.37Å; I121-I125 PolarHBondContact O-N 3.28Å; I121-I125 VanDerWaalsContact O-N 3.12Å; I122-I125 HydrophobicContact CD1-CD1 4.15Å; I122-I125 PolarHBondContact O-N 3.26Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.43Å; I125-H128 PolarHBondContact O-N 3.29Å; I125-S129 PolarHBondContact O-N 3.05Å; I125-L134 HydrophobicContact CG2-CD2 3.77Å
126V98.6Very high98Very high25 Ų2541.7 Ų41.715%0.15221%0.212CC..Hα-helixtrans-68.5-32.9-175.5-1780000111.8I122 Q124 H128 S129 P130 L154I122-V126 PolarHBondContact O-N 3.01Å; I122-V126 VanDerWaalsContact O-N 3.12Å; Q124-V126 PolarHBondContact O-N 3.46Å; V126-H128 VanDerWaalsContact C-N 3.29Å; V126-H128 PolarHBondContact O-N 3.26Å; V126-S129 CarbonylContact O-C 3.56Å; V126-S129 PolarHBondContact O-N 2.98Å; V126-P130 VanDerWaalsContact O-CA 3.31Å; V126-P130 WeakPolarHBondContact O-CA 3.14Å; V126-P130 WeakPolarHBondContact O-CD 3.31Å; V126-P130 VanDerWaalsContact O-N 3.12Å; V126-L154 HydrophobicContact CG1-CD2 4.07Å; V126-L154 HydrophobicContact CG1-CG 4.44Å; V126-L154 HydrophobicContact CG2-CD1 4.09Å; V126-L154 HydrophobicContact CG2-CG 4.14Å
127K98.6Very high98.2Very high141 Ų14138.5 Ų38.561%0.61320%0.195SC*.Hα-helixtrans-56.7-42.4172.6176.5-173.4172-165.20112.1P123 Q124 I125P123-K127 VanDerWaalsContact O-CB 3.28Å; P123-K127 WeakPolarHBondContact O-CB 3.5Å; P123-K127 PolarHBondContact O-N 3.22Å; Q124-K127 PolarHBondContact O-N 2.93Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.43Å
128H98.7Very high98.2Very high40 Ų4036.4 Ų36.419%0.18519%0.185CC..Hα-helixtrans-92.5-22.4-176.9-70.2-71.2000113.4A88 N89 Q124 I125 V126A88-H128 WeakPolarHBondContact CA-O 3.48Å; A88-H128 HydrophobicContact CB-CB 4.34Å; N89-H128 PolarHBondContact N-O 3.22Å; Q124-H128 PolarHBondContact O-CD2 3.13Å; Q124-H128 PolarHBondContact O-N 3.01Å; I125-H128 PolarHBondContact O-N 3.29Å; V126-H128 VanDerWaalsContact C-N 3.29Å; V126-H128 PolarHBondContact O-N 3.26Å
129S98.6Very high98Very high2 Ų240.3 Ų40.31%0.01421%0.206CC..  trans-137.666.7-177.3-72.50000111.8T87 N89 S90 I125 V126 N131 C132T87-S129 PolarHBondContact O-OG 2.95Å; N89-S129 PolarHBondContact N-OG 3.01Å; S90-S129 PolarHBondContact N-OG 3.41Å; I125-S129 PolarHBondContact O-N 3.05Å; V126-S129 CarbonylContact O-C 3.56Å; V126-S129 PolarHBondContact O-N 2.98Å; S129-N131 PolarHBondContact O-N 2.84Å; S129-C132 PolarHBondContact O-N 3.4Å; S129-C132 VanDerWaalsContact O-N 3.15Å; S129-C132 PolarHBondContact O-SG 3.4Å
130P97.9Very high97.9Very high67 Ų6738.4 Ų38.444%0.43520%0.199SC..THydrogen-bonded Turntrans-65.7-15.7-175.627.1-36.5000113.8V126 R158V126-P130 VanDerWaalsContact O-CA 3.31Å; V126-P130 WeakPolarHBondContact O-CA 3.14Å; V126-P130 WeakPolarHBondContact O-CD 3.31Å; V126-P130 VanDerWaalsContact O-N 3.12Å; P130-R158 PolarHBondContact O-NH1 2.98Å; P130-R158 PolarHBondContact O-NH2 3.39Å
131N96.6Very high98Very high132 Ų13231.4 Ų31.471%0.70617%0.167SC*.THydrogen-bonded Turntrans-99.20.1-178.9-67-34.7000114.2S129S129-N131 PolarHBondContact O-N 2.84Å
132C98.6Very high98Very high0 Ų030.9 Ų30.90%016%0.164CC..PPolyproline II helixtrans-71160-17571.30000113.6S90 R91 V93 S129 L134S90-C132 WeakPolarHBondContact O-CB 3.03Å; R91-C132 WeakPolarHBondContact O-CA 3.41Å; V93-C132 HydrophobicContact CG2-CB 4Å; S129-C132 PolarHBondContact O-N 3.4Å; S129-C132 VanDerWaalsContact O-N 3.15Å; S129-C132 PolarHBondContact O-SG 3.4Å; C132-L134 VanDerWaalsContact SG-CD2 3.57Å
133T98.8Very high97.9Very high5 Ų530.9 Ų30.93%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-98.1130.4157.3-61.30000109R91 I92 V93 R158 I160 I264R91-T133 PolarHBondContact O-N 3.31Å; I92-T133 WeakPolarHBondContact CA-O 3.28Å; V93-T133 PolarHBondContact N-O 2.81Å; T133-R158 CarbonylContact C-O 3.56Å; T133-R158 WeakPolarHBondContact CA-O 3.43Å; T133-I160 HydrophobicContact CG2-CD1 3.77Å; T133-I160 HydrophobicContact CG2-CG1 4.22Å; T133-I264 HydrophobicContact CG2-CD1 4.21Å
134L98.9Very high97.9Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-92127.6176.4-60.3-179.8000109.7V93 I122 I125 C132 T148 L154 R158 V159 I160V93-L134 HydrophobicContact CB-CD2 3.8Å; V93-L134 HydrophobicContact CG1-CD2 4.44Å; V93-L134 HydrophobicContact CG2-CD2 4.4Å; V93-L134 WeakPolarHBondContact O-CA 3.39Å; I122-L134 HydrophobicContact CG2-CD1 4.34Å; I125-L134 HydrophobicContact CG2-CD2 3.77Å; C132-L134 VanDerWaalsContact SG-CD2 3.57Å; L134-T148 HydrophobicContact CB-CG2 4.25Å; L134-T148 HydrophobicContact CD1-CG2 3.39Å; L134-T148 HydrophobicContact CG-CG2 4.43Å; L134-L154 HydrophobicContact CD1-CD1 3.67Å; L134-L154 HydrophobicContact CG-CD1 3.8Å; L134-R158 PolarHBondContact N-O 3.31Å; L134-V159 HydrophobicContact CD1-CG2 4.38Å; L134-I160 PolarHBondContact O-N 3.14Å
135I98.9Very high97.9Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-111.4106.8169.8-56.9177.8000107.9I92 V93 V94 V95 V137 I160 L260 I264I92-I135 HydrophobicContact CG2-CD1 3.69Å; I92-I135 HydrophobicContact CG2-CG1 4.06Å; V93-I135 PolarHBondContact O-N 2.93Å; V94-I135 CarbonylContact C-O 3.49Å; V94-I135 WeakPolarHBondContact CA-O 3.17Å; V94-I135 HydrophobicContact CG2-CB 4.47Å; V95-I135 PolarHBondContact N-O 3.33Å; I135-V137 HydrophobicContact CG2-CG2 4.31Å; I135-I160 CarbonylContact C-O 3.58Å; I135-I160 VanDerWaalsContact CA-O 3.28Å; I135-I160 WeakPolarHBondContact CA-O 3.47Å; I135-L260 HydrophobicContact CD1-CB 4.36Å; I135-L260 HydrophobicContact CG2-CD1 4.45Å; I135-I264 HydrophobicContact CD1-CD1 4.01Å; I135-I264 HydrophobicContact CG1-CD1 4.47Å
136V98.9Very high97.9Very high0 Ų026.4 Ų26.40%014%0.138CC..EExtended strand (participates in β ladder)trans-86124.8178.7-173.40000109.1F118 V141 L144 T148 I160 G161 S162F118-V136 HydrophobicContact CE2-CG1 4.08Å; F118-V136 HydrophobicContact CZ-CG1 4.27Å; V136-V141 HydrophobicContact CG1-CG2 4.46Å; V136-V141 WeakPolarHBondContact O-CG2 3.34Å; V136-L144 HydrophobicContact CG1-CB 4.07Å; V136-T148 HydrophobicContact CG2-CG2 3.83Å; V136-T148 WeakPolarHBondContact CG2-OG1 3.21Å; V136-I160 PolarHBondContact N-O 3.11Å; V136-G161 CarbonylContact O-C 3.57Å; V136-G161 WeakPolarHBondContact O-CA 3.38Å; V136-S162 PolarHBondContact O-N 2.97Å
137V98.5Very high97.8Very high7 Ų725.2 Ų25.24%0.04213%0.131CC..  trans-115.8-24.7178.9-173.70000110.9V32 V94 V95 I135 I253 V257V32-V137 HydrophobicContact CG1-CG1 3.72Å; V94-V137 HydrophobicContact CG1-CG2 3.66Å; V95-V137 PolarHBondContact O-N 2.99Å; I135-V137 HydrophobicContact CG2-CG2 4.31Å; V137-I253 HydrophobicContact CG1-CD1 4Å; V137-I253 HydrophobicContact CG1-CG1 3.63Å; V137-V257 HydrophobicContact CG1-CG2 4.36Å; V137-V257 HydrophobicContact CG2-CG2 3.59Å
138S97.3Very high97.8Very high8 Ų818.5 Ų18.56%0.05610%0.101CC..SBendtrans-57.7142.2177.9-51.60000111.8V95 S96 A97 V141V95-S138 PolarHBondContact O-N 3.42Å; V95-S138 PolarHBondContact O-OG 3.16Å; S96-S138 VanDerWaalsContact C-OG 3.27Å; S96-S138 WeakPolarHBondContact CA-OG 3.22Å; A97-S138 WeakPolarHBondContact O-CB 3.41Å; A97-S138 PolarHBondContact O-OG 2.89Å; S138-V141 WeakPolarHBondContact O-CA 3.38Å; S138-V141 PolarHBondContact O-N 2.77Å
139N93.6Very high97.8Very high82 Ų8218.6 Ų18.644%0.43910%0.1SC..SBendtrans-101.4147.7-176.4-79.5-52.9000113.4V141 L144 H194N139-V141 PolarHBondContact OD1-N 3.07Å; N139-L144 WeakPolarHBondContact O-CD1 3.26Å; N139-H194 PolarHBondContact OD1-CD2 3.12Å
140P94.7Very high97.8Very high14 Ų1421.6 Ų21.69%0.09111%0.113CC..SBendcis-76.7119.4-029.3-32.3000112.1V111 D142 V143 L144V111-P140 HydrophobicContact CG2-CG 3.33Å; P140-D142 PolarHBondContact O-N 2.92Å; P140-V143 HydrophobicContact CG-CB 4.37Å; P140-V143 PolarHBondContact O-N 2.83Å; P140-L144 WeakPolarHBondContact O-CG 3.18Å; P140-L144 PolarHBondContact O-N 2.69Å
141V97.4Very high97.8Very high1 Ų120 Ų201%0.00610%0.1CC..Hα-helixtrans-62.8-39.3-161.765.10000113.7V136 S138 N139 L144 T145 H194V136-V141 HydrophobicContact CG1-CG2 4.46Å; V136-V141 WeakPolarHBondContact O-CG2 3.34Å; S138-V141 WeakPolarHBondContact O-CA 3.38Å; S138-V141 PolarHBondContact O-N 2.77Å; N139-V141 PolarHBondContact OD1-N 3.07Å; V141-L144 PolarHBondContact O-N 3.38Å; V141-T145 VanDerWaalsContact O-CB 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.36Å; V141-T145 PolarHBondContact O-N 2.8Å; V141-T145 PolarHBondContact O-OG1 3.32Å; V141-H194 HydrophobicContact CG1-CB 3.55Å
142D98.1Very high97.9Very high1 Ų114.2 Ų14.21%0.0057%0.07CC..Hα-helixtrans-64.1-47.1-178-64.1-53.9000112.1P140 T145 Y146 E193 H194 S275 F289 L324P140-D142 PolarHBondContact O-N 2.92Å; D142-T145 PolarHBondContact O-N 3.35Å; D142-Y146 PolarHBondContact O-N 2.8Å; D142-Y146 VanDerWaalsContact O-N 3.16Å; D142-E193 WeakPolarHBondContact OD2-CA 3.28Å; D142-H194 PolarHBondContact OD2-N 3.39Å; D142-S275 WeakPolarHBondContact OD1-CB 3.38Å; D142-S275 PolarHBondContact OD1-OG 2.69Å; D142-F289 WeakPolarHBondContact CB-O 3.09Å; D142-F289 WeakPolarHBondContact O-CB 3.23Å; D142-L324 HydrophobicContact CB-CD1 3.95Å; D142-L324 HydrophobicContact CB-CD2 3.84Å
143V97.3Very high97.9Very high0 Ų017.5 Ų17.50%010%0.104CC..Hα-helixtrans-68.9-41.6177.6178.80000110.7V111 P140 T145 Y146 V147 L324 I327 Q328 L331V111-V143 HydrophobicContact CG1-CG1 3.58Å; V111-V143 HydrophobicContact CG2-CG1 4.39Å; P140-V143 HydrophobicContact CG-CB 4.37Å; P140-V143 PolarHBondContact O-N 2.83Å; V143-T145 VanDerWaalsContact C-N 3.26Å; V143-T145 PolarHBondContact O-N 2.61Å; V143-Y146 WeakPolarHBondContact O-CB 3.47Å; V143-Y146 PolarHBondContact O-N 3.28Å; V143-V147 HydrophobicContact CG1-CG2 4.43Å; V143-V147 WeakPolarHBondContact O-CG2 3.28Å; V143-V147 PolarHBondContact O-N 3.48Å; V143-L324 HydrophobicContact CG2-CD2 3.77Å; V143-I327 HydrophobicContact CG1-CG2 4.46Å; V143-I327 HydrophobicContact CG2-CG2 4.38Å; V143-Q328 HydrophobicContact CG1-CG 4.2Å; V143-Q328 HydrophobicContact CG2-CG 4.34Å; V143-L331 HydrophobicContact CG1-CD1 3.71Å
144L98Very high97.9Very high0 Ų017.6 Ų17.60%010%0.104CC..Hα-helixtrans-70.2-22.7178-66.1-176000113N114 F118 V136 N139 P140 V141 V147 T148N114-L144 HydrophobicContact CB-CD1 3.86Å; N114-L144 HydrophobicContact CB-CD2 3.65Å; N114-L144 HydrophobicContact CB-CG 4.41Å; F118-L144 HydrophobicContact CE1-CD1 4.37Å; F118-L144 HydrophobicContact CE2-CB 4.06Å; F118-L144 HydrophobicContact CZ-CB 4.27Å; F118-L144 HydrophobicContact CZ-CD1 4.14Å; V136-L144 HydrophobicContact CG1-CB 4.07Å; N139-L144 WeakPolarHBondContact O-CD1 3.26Å; P140-L144 WeakPolarHBondContact O-CG 3.18Å; P140-L144 PolarHBondContact O-N 2.69Å; V141-L144 PolarHBondContact O-N 3.38Å; L144-V147 HydrophobicContact CD2-CG2 4.44Å; L144-T148 VanDerWaalsContact O-CB 3.28Å; L144-T148 WeakPolarHBondContact O-CB 3.28Å; L144-T148 PolarHBondContact O-N 3.01Å; L144-T148 PolarHBondContact O-OG1 3.39Å
145T98.8Very high97.8Very high0 Ų020.1 Ų20.10%012%0.121CC..Hα-helixtrans-70.4-44.6170.5-56.30000110.7V141 D142 V143 V147 T148 W149 V159 G161 F289V141-T145 VanDerWaalsContact O-CB 3.29Å; V141-T145 WeakPolarHBondContact O-CB 3.36Å; V141-T145 PolarHBondContact O-N 2.8Å; V141-T145 PolarHBondContact O-OG1 3.32Å; D142-T145 PolarHBondContact O-N 3.35Å; V143-T145 VanDerWaalsContact C-N 3.26Å; V143-T145 PolarHBondContact O-N 2.61Å; T145-V147 PolarHBondContact O-N 3.36Å; T145-T148 WeakPolarHBondContact O-CB 3.45Å; T145-T148 PolarHBondContact O-N 2.83Å; T145-W149 PolarHBondContact O-N 3.28Å; T145-V159 HydrophobicContact CG2-CG1 3.94Å; T145-G161 WeakPolarHBondContact OG1-CA 3.43Å; T145-F289 HydrophobicContact CG2-CD1 3.4Å; T145-F289 HydrophobicContact CG2-CE1 3.73Å; T145-F289 HydrophobicContact CG2-CG 4.25Å
146Y98.4Very high97.8Very high30 Ų3025.7 Ų25.712%0.11815%0.145CC..Hα-helixtrans-57.4-48.5171.2168-92.9000111.9D142 V143 T148 W149 K150 E287 F289 Q328 I334D142-Y146 PolarHBondContact O-N 2.8Å; D142-Y146 VanDerWaalsContact O-N 3.16Å; V143-Y146 WeakPolarHBondContact O-CB 3.47Å; V143-Y146 PolarHBondContact O-N 3.28Å; Y146-T148 VanDerWaalsContact C-N 3.32Å; Y146-T148 PolarHBondContact O-N 2.92Å; Y146-W149 HydrophobicContact CD2-CE3 4.02Å; Y146-W149 HydrophobicContact CD2-CZ3 4.18Å; Y146-W149 HydrophobicContact CE2-CE3 4.22Å; Y146-W149 HydrophobicContact CE2-CZ3 4.02Å; Y146-W149 WeakPolarHBondContact O-CB 3.44Å; Y146-W149 PolarHBondContact O-N 3.48Å; Y146-W149 VanDerWaalsContact O-N 3.16Å; Y146-K150 HydrophobicContact CD1-CG 4.49Å; Y146-K150 HydrophobicContact CE1-CG 4.02Å; Y146-K150 HydrophobicContact CE2-CD 4.34Å; Y146-K150 HydrophobicContact CE2-CG 4.06Å; Y146-K150 VanDerWaalsContact CZ-CE 3.42Å; Y146-K150 PolarHBondContact O-N 2.99Å; Y146-K150 WeakPolarHBondContact OH-CE 3.43Å; Y146-E287 WeakPolarHBondContact CD2-O 3.48Å; Y146-E287 HydrophobicContact CE2-CB 4.37Å; Y146-E287 WeakPolarHBondContact CE2-O 3.46Å; Y146-F289 HydrophobicContact CD2-CD2 4.11Å; Y146-F289 HydrophobicContact CD2-CE2 4.31Å; Y146-F289 HydrophobicContact CG-CD2 4.48Å; Y146-Q328 HydrophobicContact CD1-CG 4.16Å; Y146-Q328 HydrophobicContact CG-CG 4.44Å; Y146-I334 HydrophobicContact CE1-CD1 4.37Å; Y146-I334 HydrophobicContact CE1-CG2 4.39Å
147V98.3Very high97.8Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-58.3-46.5177.1173.20000110.6V115 F118 V143 L144 T145 W149 K150 L151 L331 I334V115-V147 HydrophobicContact CB-CG1 4.46Å; V115-V147 HydrophobicContact CG1-CG1 4.29Å; V115-V147 HydrophobicContact CG2-CG1 4.03Å; V115-V147 HydrophobicContact CG2-CG2 3.69Å; F118-V147 HydrophobicContact CB-CG1 4.21Å; F118-V147 HydrophobicContact CD2-CG1 4.44Å; V143-V147 HydrophobicContact CG1-CG2 4.43Å; V143-V147 WeakPolarHBondContact O-CG2 3.28Å; V143-V147 PolarHBondContact O-N 3.48Å; L144-V147 HydrophobicContact CD2-CG2 4.44Å; T145-V147 PolarHBondContact O-N 3.36Å; V147-W149 VanDerWaalsContact C-N 3.3Å; V147-W149 PolarHBondContact O-N 2.8Å; V147-K150 PolarHBondContact O-N 3.17Å; V147-L151 HydrophobicContact CG1-CD1 3.61Å; V147-L151 HydrophobicContact CG1-CG 4.17Å; V147-L151 WeakPolarHBondContact O-CB 3.38Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.16Å; V147-L151 PolarHBondContact O-N 3.47Å; V147-L331 HydrophobicContact CG2-CD1 4.03Å; V147-I334 HydrophobicContact CG2-CD1 3.71Å
148T98.6Very high97.8Very high0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-59.1-44.2177.1-62.60000111.1F118 I122 L134 V136 L144 T145 Y146 L151 S152 V159F118-T148 VanDerWaalsContact CD2-OG1 3.28Å; F118-T148 WeakPolarHBondContact CD2-OG1 3.12Å; F118-T148 WeakPolarHBondContact CE2-OG1 3.42Å; I122-T148 HydrophobicContact CD1-CG2 3.76Å; I122-T148 HydrophobicContact CG1-CG2 4.18Å; I122-T148 HydrophobicContact CG2-CG2 4.19Å; L134-T148 HydrophobicContact CB-CG2 4.25Å; L134-T148 HydrophobicContact CD1-CG2 3.39Å; L134-T148 HydrophobicContact CG-CG2 4.43Å; V136-T148 HydrophobicContact CG2-CG2 3.83Å; V136-T148 WeakPolarHBondContact CG2-OG1 3.21Å; L144-T148 VanDerWaalsContact O-CB 3.28Å; L144-T148 WeakPolarHBondContact O-CB 3.28Å; L144-T148 PolarHBondContact O-N 3.01Å; L144-T148 PolarHBondContact O-OG1 3.39Å; T145-T148 WeakPolarHBondContact O-CB 3.45Å; T145-T148 PolarHBondContact O-N 2.83Å; Y146-T148 VanDerWaalsContact C-N 3.32Å; Y146-T148 PolarHBondContact O-N 2.92Å; T148-L151 PolarHBondContact O-N 3.26Å; T148-S152 WeakPolarHBondContact O-CB 3.33Å; T148-S152 PolarHBondContact O-N 3.32Å; T148-S152 PolarHBondContact O-OG 2.66Å; T148-V159 HydrophobicContact CG2-CG1 3.76Å
149W98.6Very high97.9Very high41 Ų4130.8 Ų30.816%0.15517%0.165CC..Hα-helixtrans-59.2-51.2177.9168.654.9000111.4T145 Y146 V147 S152 G153 L154 V159 M277 F289T145-W149 PolarHBondContact O-N 3.28Å; Y146-W149 HydrophobicContact CD2-CE3 4.02Å; Y146-W149 HydrophobicContact CD2-CZ3 4.18Å; Y146-W149 HydrophobicContact CE2-CE3 4.22Å; Y146-W149 HydrophobicContact CE2-CZ3 4.02Å; Y146-W149 WeakPolarHBondContact O-CB 3.44Å; Y146-W149 PolarHBondContact O-N 3.48Å; Y146-W149 VanDerWaalsContact O-N 3.16Å; V147-W149 VanDerWaalsContact C-N 3.3Å; V147-W149 PolarHBondContact O-N 2.8Å; W149-S152 PolarHBondContact O-N 2.71Å; W149-S152 PolarHBondContact O-OG 3.11Å; W149-G153 PolarHBondContact O-N 2.97Å; W149-L154 VanDerWaalsContact CD1-O 3.24Å; W149-L154 PolarHBondContact NE1-O 3.26Å; W149-V159 HydrophobicContact CB-CB 4.2Å; W149-V159 HydrophobicContact CB-CG1 4.02Å; W149-V159 HydrophobicContact CB-CG2 4.35Å; W149-M277 HydrophobicContact CH2-SD 4.36Å; W149-M277 HydrophobicContact CZ3-SD 4.21Å; W149-F289 HydrophobicContact CB-CE2 4.29Å; W149-F289 HydrophobicContact CB-CZ 3.86Å; W149-F289 HydrophobicContact CD2-CE2 4.01Å; W149-F289 HydrophobicContact CD2-CZ 4.02Å; W149-F289 AromaticContact CE3-CE2 3.58Å; W149-F289 HydrophobicContact CE3-CE2 3.58Å; W149-F289 HydrophobicContact CE3-CZ 4.08Å; W149-F289 HydrophobicContact CG-CE2 4.31Å; W149-F289 AromaticContact CG-CZ 3.92Å; W149-F289 HydrophobicContact CG-CZ 3.92Å; W149-F289 HydrophobicContact CZ3-CE2 4.21Å
150K98.1Very high98.1Very high66 Ų6627 Ų2729%0.28715%0.145SC..Hα-helixtrans-60.1-48.8178.4-66.5-62.3-170.9-171.80112.6Y146 V147 S152 E287 I334Y146-K150 HydrophobicContact CD1-CG 4.49Å; Y146-K150 HydrophobicContact CE1-CG 4.02Å; Y146-K150 HydrophobicContact CE2-CD 4.34Å; Y146-K150 HydrophobicContact CE2-CG 4.06Å; Y146-K150 VanDerWaalsContact CZ-CE 3.42Å; Y146-K150 PolarHBondContact O-N 2.99Å; Y146-K150 WeakPolarHBondContact OH-CE 3.43Å; V147-K150 PolarHBondContact O-N 3.17Å; K150-S152 VanDerWaalsContact C-N 3.33Å; K150-S152 PolarHBondContact O-N 3.25Å; K150-E287 IonicContact NZ-OE2 2.94Å; K150-E287 PolarHBondContact NZ-OE2 2.95Å; K150-I334 HydrophobicContact CB-CG2 3.29Å; K150-I334 HydrophobicContact CG-CG2 3.65Å
151L98.3Very high98.3Very high32 Ų3226.3 Ų26.317%0.16814%0.14CC..Hα-helixtrans-69.6-27.7-178.8-66.7177.3000113.7F118 K119 I122 V147 T148F118-L151 HydrophobicContact CB-CD1 3.82Å; K119-L151 HydrophobicContact CG-CD1 4.12Å; K119-L151 HydrophobicContact CG-CD2 4.03Å; I122-L151 HydrophobicContact CB-CB 4.13Å; I122-L151 HydrophobicContact CG2-CB 4.02Å; V147-L151 HydrophobicContact CG1-CD1 3.61Å; V147-L151 HydrophobicContact CG1-CG 4.17Å; V147-L151 WeakPolarHBondContact O-CB 3.38Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.16Å; V147-L151 PolarHBondContact O-N 3.47Å; T148-L151 PolarHBondContact O-N 3.26Å
152S98.4Very high98.4Very high11 Ų1126.5 Ų26.58%0.07714%0.142CC..Hα-helixtrans-80.5-30-177.170.30000113.4T148 W149 K150 L154T148-S152 WeakPolarHBondContact O-CB 3.33Å; T148-S152 PolarHBondContact O-N 3.32Å; T148-S152 PolarHBondContact O-OG 2.66Å; W149-S152 PolarHBondContact O-N 2.71Å; W149-S152 PolarHBondContact O-OG 3.11Å; K150-S152 VanDerWaalsContact C-N 3.33Å; K150-S152 PolarHBondContact O-N 3.25Å; S152-L154 PolarHBondContact O-N 3.37Å; S152-L154 VanDerWaalsContact O-N 3.15Å; S152-L154 WeakPolarHBondContact OG-CB 3.47Å; S152-L154 PolarHBondContact OG-N 3.37Å; S152-L154 VanDerWaalsContact OG-N 3.11Å
153G98Very high98.4Very high69 Ų6926.5 Ų26.571%0.71114%0.143SC*.  trans63.48.9-168.100000114.2W149W149-G153 PolarHBondContact O-N 2.97Å
154L98.5Very high98.5Very high7 Ų726.5 Ų26.54%0.03714%0.143CC..  trans-72.2153.2177.5-66.7176.4000110.5V126 L134 W149 S152 K156 V159V126-L154 HydrophobicContact CG1-CD2 4.07Å; V126-L154 HydrophobicContact CG1-CG 4.44Å; V126-L154 HydrophobicContact CG2-CD1 4.09Å; V126-L154 HydrophobicContact CG2-CG 4.14Å; L134-L154 HydrophobicContact CD1-CD1 3.67Å; L134-L154 HydrophobicContact CG-CD1 3.8Å; W149-L154 VanDerWaalsContact CD1-O 3.24Å; W149-L154 PolarHBondContact NE1-O 3.26Å; S152-L154 PolarHBondContact O-N 3.37Å; S152-L154 VanDerWaalsContact O-N 3.15Å; S152-L154 WeakPolarHBondContact OG-CB 3.47Å; S152-L154 PolarHBondContact OG-N 3.37Å; S152-L154 VanDerWaalsContact OG-N 3.11Å; L154-K156 PolarHBondContact O-N 3.42Å; L154-V159 HydrophobicContact CB-CG2 3.93Å; L154-V159 HydrophobicContact CD1-CG2 4.28Å
155P98.4Very high98.5Very high53 Ų5327.2 Ų27.234%0.34415%0.146SC..  trans-61.4140.717029.3-36.2000109.8H157 R158P155-H157 WeakPolarHBondContact CG-NE2 3.37Å; P155-H157 PolarHBondContact O-N 3.08Å; P155-R158 VanDerWaalsContact CD-NH2 3.3Å; P155-R158 HydrophobicContact CG-CB 4.42Å; P155-R158 HydrophobicContact CG-CG 4.1Å; P155-R158 VanDerWaalsContact CG-NE 3.3Å; P155-R158 PolarHBondContact O-N 3.26Å
156K97.9Very high98.5Very high118 Ų11828 Ų2851%0.51315%0.15SC..G310 helixtrans-50.4-32.7-173.161.4-179.4179.3177.70114.6L154 R158 V159 M277L154-K156 PolarHBondContact O-N 3.42Å; K156-R158 PolarHBondContact O-N 3.32Å; K156-V159 PolarHBondContact O-N 3.14Å; K156-M277 HydrophobicContact CB-CB 4.41Å; K156-M277 HydrophobicContact CD-CB 4.01Å; K156-M277 HydrophobicContact CD-CG 3.95Å
157H98.6Very high98.4Very high74 Ų7426.9 Ų26.934%0.34315%0.147SC..G310 helixtrans-69.8-15.1-18069.688.9000114.1P155 N299 G300 V301P155-H157 WeakPolarHBondContact CG-NE2 3.37Å; P155-H157 PolarHBondContact O-N 3.08Å; H157-N299 PolarHBondContact ND1-O 3.26Å; H157-G300 CarbonylContact O-C 3.29Å; H157-G300 WeakPolarHBondContact O-CA 3.09Å; H157-V301 HydrophobicContact CB-CB 4.3Å; H157-V301 WeakPolarHBondContact CB-O 3.33Å; H157-V301 PolarHBondContact O-N 3.46Å
158R98.8Very high98.5Very high48 Ų4827.1 Ų27.118%0.18115%0.148CC..G310 helixtrans-97.65.2175.7-65.6-164.7-63.7179.70.6113.5P130 T133 L134 P155 K156P130-R158 PolarHBondContact O-NH1 2.98Å; P130-R158 PolarHBondContact O-NH2 3.39Å; T133-R158 CarbonylContact C-O 3.56Å; T133-R158 WeakPolarHBondContact CA-O 3.43Å; L134-R158 PolarHBondContact N-O 3.31Å; P155-R158 VanDerWaalsContact CD-NH2 3.3Å; P155-R158 HydrophobicContact CG-CB 4.42Å; P155-R158 HydrophobicContact CG-CG 4.1Å; P155-R158 VanDerWaalsContact CG-NE 3.3Å; P155-R158 PolarHBondContact O-N 3.26Å; K156-R158 PolarHBondContact O-N 3.32Å
159V98.8Very high98.4Very high0 Ų029.6 Ų29.60%017%0.169CC..EExtended strand (participates in β ladder)trans-122.7112.1177.2-174.70000108.5L134 T145 T148 W149 L154 K156L134-V159 HydrophobicContact CD1-CG2 4.38Å; T145-V159 HydrophobicContact CG2-CG1 3.94Å; T148-V159 HydrophobicContact CG2-CG1 3.76Å; W149-V159 HydrophobicContact CB-CB 4.2Å; W149-V159 HydrophobicContact CB-CG1 4.02Å; W149-V159 HydrophobicContact CB-CG2 4.35Å; L154-V159 HydrophobicContact CB-CG2 3.93Å; L154-V159 HydrophobicContact CD1-CG2 4.28Å; K156-V159 PolarHBondContact O-N 3.14Å
160I98.8Very high98.4Very high1 Ų129.3 Ų29.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-126.2132.4-170.1-52.2179000107.7T133 L134 I135 V136 I264 V274 L296 V301T133-I160 HydrophobicContact CG2-CD1 3.77Å; T133-I160 HydrophobicContact CG2-CG1 4.22Å; L134-I160 PolarHBondContact O-N 3.14Å; I135-I160 CarbonylContact C-O 3.58Å; I135-I160 VanDerWaalsContact CA-O 3.28Å; I135-I160 WeakPolarHBondContact CA-O 3.47Å; V136-I160 PolarHBondContact N-O 3.11Å; I160-I264 HydrophobicContact CD1-CD1 3.95Å; I160-V274 HydrophobicContact CG2-CB 3.72Å; I160-V274 HydrophobicContact CG2-CG1 4.18Å; I160-V274 HydrophobicContact CG2-CG2 3.77Å; I160-L296 HydrophobicContact CD1-CD2 4Å; I160-V301 HydrophobicContact CD1-CG2 3.97Å; I160-V301 HydrophobicContact CG1-CG2 3.89Å
161G98.9Very high98.4Very high0 Ų026.1 Ų26.10%015%0.154CC..EExtended strand (participates in β ladder)trans-93.7146166.200000110.5V136 T145 G163 V274 S275V136-G161 CarbonylContact O-C 3.57Å; V136-G161 WeakPolarHBondContact O-CA 3.38Å; T145-G161 WeakPolarHBondContact OG1-CA 3.43Å; G161-G163 PolarHBondContact O-N 3.31Å; G161-V274 WeakPolarHBondContact O-CB 3.16Å; G161-S275 PolarHBondContact N-O 3.25Å; G161-S275 VanDerWaalsContact N-O 3.08Å; G161-S275 PolarHBondContact O-N 3.4Å
162S98.7Very high98.4Very high5 Ų528.3 Ų28.34%0.03516%0.16CC..  trans-54.6-29.9174.563.30000112.1V136 N165V136-S162 PolarHBondContact O-N 2.97Å; S162-N165 VanDerWaalsContact O-CB 3.32Å; S162-N165 WeakPolarHBondContact O-CB 3.37Å; S162-N165 PolarHBondContact O-N 3.11Å
163G98.3Very high98.4Very high2 Ų233.3 Ų33.32%0.02118%0.18CC..THydrogen-bonded Turntrans54.1-142.3169.600000112.5G161 N165 S291G161-G163 PolarHBondContact O-N 3.31Å; G163-N165 VanDerWaalsContact C-N 3.27Å; G163-N165 PolarHBondContact O-N 3.43Å; G163-S291 WeakPolarHBondContact CA-OG 3.07Å
164T98.6Very high98.4Very high0 Ų031.6 Ų31.60%016%0.155CC..THydrogen-bonded Turntrans-88.419.7-178.959.70000113.7L166 D167 S168 V190 H194 P273 S291T164-L166 PolarHBondContact O-N 3.29Å; T164-D167 WeakPolarHBondContact CA-OD2 3.19Å; T164-D167 PolarHBondContact O-N 3.04Å; T164-S168 WeakPolarHBondContact O-CB 3.48Å; T164-S168 PolarHBondContact O-N 3.37Å; T164-S168 PolarHBondContact O-OG 3.35Å; T164-V190 WeakPolarHBondContact CB-O 3.37Å; T164-V190 HydrophobicContact CG2-CG1 4.35Å; T164-V190 PolarHBondContact OG1-O 2.79Å; T164-H194 HydrophobicContact CG2-CB 4.43Å; T164-P273 CarbonylContact C-O 3.57Å; T164-S291 PolarHBondContact N-OG 3.18Å; T164-S291 WeakPolarHBondContact OG1-CB 3.31Å; T164-S291 PolarHBondContact OG1-OG 2.66Å
165N98.8Very high98.3Very high15 Ų1531.3 Ų31.38%0.0815%0.153CC..Hα-helixtrans-61.7-45.8177.8-170.147.1000111S162 G163 A169 S256 L260 P273 V274S162-N165 VanDerWaalsContact O-CB 3.32Å; S162-N165 WeakPolarHBondContact O-CB 3.37Å; S162-N165 PolarHBondContact O-N 3.11Å; G163-N165 VanDerWaalsContact C-N 3.27Å; G163-N165 PolarHBondContact O-N 3.43Å; N165-A169 PolarHBondContact O-N 3.21Å; N165-S256 PolarHBondContact ND2-OG 2.89Å; N165-L260 HydrophobicContact CB-CD2 4.47Å; N165-P273 WeakPolarHBondContact CA-O 3.41Å; N165-P273 PolarHBondContact N-O 2.94Å; N165-P273 WeakPolarHBondContact OD1-CD 3.44Å; N165-V274 HydrophobicContact CB-CG1 4.42Å
166L98.3Very high98.3Very high16 Ų1628.9 Ų28.98%0.08414%0.137CC..Hα-helixtrans-69.7-37.3175.7177.458.7000112.1T164 A169 R170 A252 I253T164-L166 PolarHBondContact O-N 3.29Å; L166-A169 WeakPolarHBondContact O-CB 3.46Å; L166-A169 PolarHBondContact O-N 3.1Å; L166-R170 HydrophobicContact CD1-CG 4.39Å; L166-R170 WeakPolarHBondContact O-CG 3.37Å; L166-R170 PolarHBondContact O-N 3.25Å; L166-A252 HydrophobicContact CD1-CB 3.65Å; L166-A252 HydrophobicContact CD2-CB 4.37Å; L166-I253 HydrophobicContact CD2-CB 3.98Å; L166-I253 HydrophobicContact CD2-CD1 4.25Å
167D97.8Very high98.3Very high7 Ų729.1 Ų29.14%0.03714%0.14CC..Hα-helixtrans-66.7-40.3178.6-55.4-44.2000111.2T164 A169 R170 F171 V190 H194 V235T164-D167 WeakPolarHBondContact CA-OD2 3.19Å; T164-D167 PolarHBondContact O-N 3.04Å; D167-A169 VanDerWaalsContact C-N 3.33Å; D167-A169 PolarHBondContact O-N 3.15Å; D167-R170 PolarHBondContact O-N 3Å; D167-R170 IonicContact OD1-NH1 3.88Å; D167-F171 WeakPolarHBondContact O-CB 3.24Å; D167-F171 PolarHBondContact O-N 3.15Å; D167-V190 HydrophobicContact CB-CB 4.31Å; D167-V190 HydrophobicContact CB-CG1 4.14Å; D167-H194 IonicContact OD1-CE1 3.15Å; D167-H194 IonicContact OD1-ND1 2.72Å; D167-H194 IonicContact OD2-CE1 2.61Å; D167-H194 PolarHBondContact OD2-CE1 3.07Å; D167-H194 IonicContact OD2-CG 3.73Å; D167-H194 IonicContact OD2-ND1 2.67Å; D167-H194 PolarHBondContact OD2-ND1 3.15Å; D167-V235 HydrophobicContact CB-CG1 3.83Å; D167-V235 WeakPolarHBondContact O-CG1 3.46Å
168S98.5Very high98.2Very high5 Ų531.2 Ų31.24%0.03515%0.145CC..Hα-helixtrans-63.2-39.5172.3-640000111.3T164 F171 R172 V190 P273T164-S168 WeakPolarHBondContact O-CB 3.48Å; T164-S168 PolarHBondContact O-N 3.37Å; T164-S168 PolarHBondContact O-OG 3.35Å; S168-F171 PolarHBondContact O-N 3.45Å; S168-R172 WeakPolarHBondContact O-CB 3.48Å; S168-R172 WeakPolarHBondContact O-CG 3.33Å; S168-R172 PolarHBondContact O-N 3.26Å; S168-V190 PolarHBondContact OG-N 2.8Å; S168-V190 PolarHBondContact OG-O 3.01Å; S168-V190 VanDerWaalsContact OG-O 3.11Å; S168-P273 VanDerWaalsContact OG-CG 3.22Å; S168-P273 WeakPolarHBondContact OG-CG 3.34Å
169A98.4Very high98.1Very high52 Ų5232.2 Ų32.243%0.4315%0.154SC..Hα-helixtrans-63.3-42.6174.400000112.3N165 L166 D167 R172 F173N165-A169 PolarHBondContact O-N 3.21Å; L166-A169 WeakPolarHBondContact O-CB 3.46Å; L166-A169 PolarHBondContact O-N 3.1Å; D167-A169 VanDerWaalsContact C-N 3.33Å; D167-A169 PolarHBondContact O-N 3.15Å; A169-R172 PolarHBondContact O-N 3.46Å; A169-F173 WeakPolarHBondContact O-CB 3.47Å; A169-F173 PolarHBondContact O-N 2.89Å
170R97.9Very high98Very high34 Ų3435.6 Ų35.613%0.12819%0.189CC..Hα-helixtrans-63.9-43.1174.5-74170.1171.7159.5-6.4112L166 D167 F173 L174 V235L166-R170 HydrophobicContact CD1-CG 4.39Å; L166-R170 WeakPolarHBondContact O-CG 3.37Å; L166-R170 PolarHBondContact O-N 3.25Å; D167-R170 PolarHBondContact O-N 3Å; D167-R170 IonicContact OD1-NH1 3.88Å; R170-F173 WeakPolarHBondContact O-CB 3.33Å; R170-F173 PolarHBondContact O-N 3.44Å; R170-L174 WeakPolarHBondContact O-CG 3.38Å; R170-L174 PolarHBondContact O-N 3.07Å; R170-V235 HydrophobicContact CB-CG1 4.07Å; R170-V235 HydrophobicContact CB-CG2 4.15Å
171F98.2Very high98Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-58.5-50.6176-175.7-113000110.4D167 S168 F173 L174 M175 F186 V190 W202 V205 T231 V235D167-F171 WeakPolarHBondContact O-CB 3.24Å; D167-F171 PolarHBondContact O-N 3.15Å; S168-F171 PolarHBondContact O-N 3.45Å; F171-F173 VanDerWaalsContact C-N 3.3Å; F171-F173 PolarHBondContact O-N 3.49Å; F171-L174 PolarHBondContact O-N 2.73Å; F171-M175 HydrophobicContact CD1-CG 4.35Å; F171-M175 HydrophobicContact CD2-CG 4.09Å; F171-M175 HydrophobicContact CE1-CG 4.14Å; F171-M175 HydrophobicContact CE2-CG 3.85Å; F171-M175 HydrophobicContact CE2-SD 3.9Å; F171-M175 HydrophobicContact CG-CG 4.33Å; F171-M175 HydrophobicContact CZ-CE 4.13Å; F171-M175 HydrophobicContact CZ-CG 3.88Å; F171-M175 HydrophobicContact CZ-SD 4.05Å; F171-M175 WeakPolarHBondContact O-CB 3.09Å; F171-M175 WeakPolarHBondContact O-CG 3.43Å; F171-M175 PolarHBondContact O-N 2.9Å; F171-F186 HydrophobicContact CD1-CE1 4.43Å; F171-F186 HydrophobicContact CE1-CE1 4.15Å; F171-V190 HydrophobicContact CB-CG2 3.72Å; F171-V190 HydrophobicContact CD1-CG2 4.24Å; F171-V190 HydrophobicContact CD2-CG2 4.34Å; F171-V190 HydrophobicContact CG-CG2 3.85Å; F171-W202 AromaticContact CE2-CH2 3.63Å; F171-W202 HydrophobicContact CE2-CH2 3.63Å; F171-W202 HydrophobicContact CE2-CZ2 4.45Å; F171-W202 AromaticContact CE2-CZ3 3.77Å; F171-W202 HydrophobicContact CE2-CZ3 3.77Å; F171-W202 HydrophobicContact CZ-CE3 4.03Å; F171-W202 AromaticContact CZ-CH2 3.83Å; F171-W202 HydrophobicContact CZ-CH2 3.83Å; F171-W202 AromaticContact CZ-CZ3 3.48Å; F171-W202 HydrophobicContact CZ-CZ3 3.48Å; F171-W202 VanDerWaalsContact CZ-CZ3 3.48Å; F171-V205 HydrophobicContact CE1-CG2 3.97Å; F171-V205 HydrophobicContact CZ-CG2 4.23Å; F171-T231 HydrophobicContact CD2-CG2 4.15Å; F171-T231 HydrophobicContact CE2-CG2 4.27Å; F171-V235 VanDerWaalsContact CA-CG2 3.46Å; F171-V235 HydrophobicContact CB-CG2 3.83Å; F171-V235 HydrophobicContact CD2-CG2 4.1Å; F171-V235 HydrophobicContact CG-CG2 4.49Å
172R98.4Very high98Very high78 Ų7845 Ų4529%0.29423%0.234SC..Hα-helixtrans-60.1-38.8176.4-66.617169.4176.19.3112.5S168 A169 A176 A183 S184 F186S168-R172 WeakPolarHBondContact O-CB 3.48Å; S168-R172 WeakPolarHBondContact O-CG 3.33Å; S168-R172 PolarHBondContact O-N 3.26Å; A169-R172 PolarHBondContact O-N 3.46Å; R172-A176 WeakPolarHBondContact O-CB 3.48Å; R172-A176 PolarHBondContact O-N 3.35Å; R172-A183 HydrophobicContact CB-CB 4.43Å; R172-A183 PolarHBondContact NE-O 3.23Å; R172-A183 PolarHBondContact NH2-O 3.48Å; R172-S184 PolarHBondContact NH2-O 2.8Å; R172-S184 VanDerWaalsContact NH2-O 3.1Å; R172-F186 HydrophobicContact CB-CD1 4.22Å; R172-F186 HydrophobicContact CG-CD1 4.07Å; R172-F186 PolarHBondContact NE-O 3.44Å; R172-F186 PolarHBondContact NH2-O 3.01Å
173F98.3Very high97.9Very high115 Ų11546 Ų4650%0.50424%0.243SC..Hα-helixtrans-61.2-56.3176168.1-100.8000112.1A169 R170 F171 M175 A176 E177A169-F173 WeakPolarHBondContact O-CB 3.47Å; A169-F173 PolarHBondContact O-N 2.89Å; R170-F173 WeakPolarHBondContact O-CB 3.33Å; R170-F173 PolarHBondContact O-N 3.44Å; F171-F173 VanDerWaalsContact C-N 3.3Å; F171-F173 PolarHBondContact O-N 3.49Å; F173-M175 VanDerWaalsContact C-N 3.34Å; F173-M175 PolarHBondContact O-N 3.03Å; F173-A176 PolarHBondContact O-N 3.17Å; F173-E177 WeakPolarHBondContact O-CB 3.46Å; F173-E177 PolarHBondContact O-N 2.91Å
174L97.6Very high97.9Very high34 Ų3449.4 Ų49.418%0.17827%0.266CS..Hα-helixtrans-64.1-38.9-176.8-67.3171.9000112.2R170 F171 R178 T231 A234 V235R170-L174 WeakPolarHBondContact O-CG 3.38Å; R170-L174 PolarHBondContact O-N 3.07Å; F171-L174 PolarHBondContact O-N 2.73Å; L174-R178 PolarHBondContact O-N 2.81Å; L174-T231 HydrophobicContact CB-CG2 3.45Å; L174-T231 VanDerWaalsContact CB-CG2 3.45Å; L174-T231 HydrophobicContact CD1-CG2 4.07Å; L174-T231 HydrophobicContact CG-CG2 4.42Å; L174-A234 HydrophobicContact CD1-CB 3.91Å; L174-V235 HydrophobicContact CD1-CG2 3.84Å
175M97.3Very high97.8Very high0 Ų052.3 Ų52.30%029%0.287CS..Hα-helixtrans-67.3-42.4176.9-63-65.9-76.800111.6F171 F173 E177 R178 L179 F186 W202 F219 W228 T231F171-M175 HydrophobicContact CD1-CG 4.35Å; F171-M175 HydrophobicContact CD2-CG 4.09Å; F171-M175 HydrophobicContact CE1-CG 4.14Å; F171-M175 HydrophobicContact CE2-CG 3.85Å; F171-M175 HydrophobicContact CE2-SD 3.9Å; F171-M175 HydrophobicContact CG-CG 4.33Å; F171-M175 HydrophobicContact CZ-CE 4.13Å; F171-M175 HydrophobicContact CZ-CG 3.88Å; F171-M175 HydrophobicContact CZ-SD 4.05Å; F171-M175 WeakPolarHBondContact O-CB 3.09Å; F171-M175 WeakPolarHBondContact O-CG 3.43Å; F171-M175 PolarHBondContact O-N 2.9Å; F173-M175 VanDerWaalsContact C-N 3.34Å; F173-M175 PolarHBondContact O-N 3.03Å; M175-E177 VanDerWaalsContact C-N 3.35Å; M175-R178 PolarHBondContact O-N 3.34Å; M175-L179 WeakPolarHBondContact O-CG 3.48Å; M175-L179 PolarHBondContact O-N 2.98Å; M175-F186 HydrophobicContact CB-CD1 3.89Å; M175-F186 HydrophobicContact CB-CD2 4Å; M175-F186 HydrophobicContact CB-CE1 3.45Å; M175-F186 VanDerWaalsContact CB-CE1 3.45Å; M175-F186 HydrophobicContact CB-CE2 3.56Å; M175-F186 HydrophobicContact CB-CG 4.14Å; M175-F186 HydrophobicContact CB-CZ 3.25Å; M175-F186 HydrophobicContact CE-CE2 4.2Å; M175-F186 HydrophobicContact CE-CZ 3.6Å; M175-F186 HydrophobicContact CG-CE1 3.71Å; M175-F186 HydrophobicContact CG-CE2 4.35Å; M175-F186 HydrophobicContact CG-CZ 3.59Å; M175-F186 HydrophobicContact SD-CZ 4.47Å; M175-W202 HydrophobicContact CE-CZ3 4.02Å; M175-W202 HydrophobicContact SD-CZ3 4.49Å; M175-F219 HydrophobicContact CE-CE1 3.87Å; M175-F219 HydrophobicContact CE-CE2 4.26Å; M175-F219 HydrophobicContact CE-CZ 3.29Å; M175-W228 HydrophobicContact CE-CD2 4.22Å; M175-W228 HydrophobicContact CE-CE3 3.38Å; M175-W228 HydrophobicContact CE-CZ3 3.81Å; M175-W228 HydrophobicContact SD-CE3 3.55Å; M175-W228 VanDerWaalsContact SD-CE3 3.55Å; M175-W228 HydrophobicContact SD-CZ3 3.9Å; M175-T231 HydrophobicContact CG-CG2 3.85Å; M175-T231 HydrophobicContact SD-CG2 3.47Å; M175-T231 WeakPolarHBondContact SD-CG2 3.2Å
176A97.6Very high97.8Very high2 Ų251.6 Ų51.62%0.01728%0.283CS..Hα-helixtrans-68.1-34.7178.700000112.4R172 F173 L179 G180 I181 A183 F186R172-A176 WeakPolarHBondContact O-CB 3.48Å; R172-A176 PolarHBondContact O-N 3.35Å; F173-A176 PolarHBondContact O-N 3.17Å; A176-L179 CarbonylContact O-C 3.56Å; A176-L179 PolarHBondContact O-N 3.42Å; A176-G180 PolarHBondContact O-N 3.29Å; A176-I181 CarbonylContact C-O 3.41Å; A176-I181 HydrophobicContact CB-CG1 3.95Å; A176-I181 WeakPolarHBondContact CB-O 3.39Å; A176-I181 PolarHBondContact O-N 3.32Å; A176-A183 HydrophobicContact CB-CB 4.27Å; A176-F186 HydrophobicContact CB-CB 4.05Å
177E97.4Very high97.8Very high123 Ų12353.7 Ų53.758%0.57529%0.294SS*.Hα-helixtrans-59.9-48.4173.6-176178.6-151.600111.3F173 M175 L179 G180F173-E177 WeakPolarHBondContact O-CB 3.46Å; F173-E177 PolarHBondContact O-N 2.91Å; M175-E177 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.37Å; E177-G180 PolarHBondContact O-N 3.46Å; E177-G180 VanDerWaalsContact O-N 3.12Å
178R96.6Very high97.8Very high119 Ų11953.5 Ų53.545%0.44929%0.294SS..Hα-helixtrans-59-30.9175.3-71.2-175179.1-1605.1113L174 M175 D227 W228 T231L174-R178 PolarHBondContact O-N 2.81Å; M175-R178 PolarHBondContact O-N 3.34Å; R178-D227 PolarHBondContact NH1-O 3.25Å; R178-W228 HydrophobicContact CB-CH2 3.59Å; R178-W228 HydrophobicContact CB-CZ3 3.6Å; R178-W228 HydrophobicContact CG-CH2 4.44Å; R178-W228 HydrophobicContact CG-CZ3 4.12Å; R178-T231 PolarHBondContact NE-OG1 2.87Å; R178-T231 PolarHBondContact NH2-OG1 3.39Å
179L96.3Very high97.8Very high68 Ų6856.4 Ų56.436%0.35630%0.304SS..Hα-helixtrans-92.4-5.3-179.6-65.9175.3000113.9M175 A176 E177 I181 F186 V207 L212 W228M175-L179 WeakPolarHBondContact O-CG 3.48Å; M175-L179 PolarHBondContact O-N 2.98Å; A176-L179 CarbonylContact O-C 3.56Å; A176-L179 PolarHBondContact O-N 3.42Å; E177-L179 PolarHBondContact O-N 3.37Å; L179-I181 VanDerWaalsContact C-N 3.31Å; L179-I181 HydrophobicContact CB-CD1 4.29Å; L179-I181 HydrophobicContact CB-CG1 4.04Å; L179-I181 HydrophobicContact CD1-CD1 4.29Å; L179-I181 PolarHBondContact O-N 2.89Å; L179-F186 HydrophobicContact CD1-CD2 3.75Å; L179-F186 HydrophobicContact CD1-CE2 3.78Å; L179-V207 HydrophobicContact CD1-CG2 3.97Å; L179-L212 HydrophobicContact CD1-CD1 4.47Å; L179-W228 HydrophobicContact CD2-CH2 3.76Å; L179-W228 HydrophobicContact CD2-CZ2 4.23Å; L179-W228 HydrophobicContact CG-CH2 3.95Å
180G97.7Very high97.8Very high72 Ų7254 Ų5474%0.74228%0.283SS*.THydrogen-bonded Turntrans65.728.8-176.700000114.4A176 E177A176-G180 PolarHBondContact O-N 3.29Å; E177-G180 PolarHBondContact O-N 3.46Å; E177-G180 VanDerWaalsContact O-N 3.12Å
181I98.4Very high97.8Very high64 Ų6452.4 Ų52.433%0.32828%0.278SS..SBendtrans-120.7168.9178.965.6177.6000111.4A176 L179 F186 V207A176-I181 CarbonylContact C-O 3.41Å; A176-I181 HydrophobicContact CB-CG1 3.95Å; A176-I181 WeakPolarHBondContact CB-O 3.39Å; A176-I181 PolarHBondContact O-N 3.32Å; L179-I181 VanDerWaalsContact C-N 3.31Å; L179-I181 HydrophobicContact CB-CD1 4.29Å; L179-I181 HydrophobicContact CB-CG1 4.04Å; L179-I181 HydrophobicContact CD1-CD1 4.29Å; L179-I181 PolarHBondContact O-N 2.89Å; I181-F186 HydrophobicContact CD1-CB 4.31Å; I181-V207 HydrophobicContact CD1-CB 4.49Å; I181-V207 HydrophobicContact CD1-CG1 3.81Å; I181-V207 HydrophobicContact CD1-CG2 3.78Å
182H98.4Very high97.8Very high134 Ų13452.4 Ų52.462%0.6228%0.278SS*.  trans-76.8142.3174.7-170.3-100.4000111.6S184 S185H182-S184 WeakPolarHBondContact ND1-CB 3.22Å; H182-S184 PolarHBondContact ND1-N 3.06Å; H182-S184 PolarHBondContact ND1-OG 3.09Å; H182-S184 PolarHBondContact O-N 3.28Å; H182-S184 VanDerWaalsContact O-N 3.1Å; H182-S185 WeakPolarHBondContact O-CB 3.36Å; H182-S185 PolarHBondContact O-N 2.89Å
183A97.6Very high97.7Very high27 Ų2748.8 Ų48.822%0.22326%0.264CS..G310 helixtrans-57.3-28.3-178.300000114.1R172 A176 S185 F186R172-A183 HydrophobicContact CB-CB 4.43Å; R172-A183 PolarHBondContact NE-O 3.23Å; R172-A183 PolarHBondContact NH2-O 3.48Å; A176-A183 HydrophobicContact CB-CB 4.27Å; A183-S185 PolarHBondContact O-N 3.17Å; A183-F186 PolarHBondContact O-N 3.29Å; A183-F186 VanDerWaalsContact O-O 3.12Å
184S96.9Very high97.6Very high72 Ų7245.4 Ų45.450%0.50325%0.25SC..G310 helixtrans-66.3-25175.368.50000113.4R172 H182R172-S184 PolarHBondContact NH2-O 2.8Å; R172-S184 VanDerWaalsContact NH2-O 3.1Å; H182-S184 WeakPolarHBondContact ND1-CB 3.22Å; H182-S184 PolarHBondContact ND1-N 3.06Å; H182-S184 PolarHBondContact ND1-OG 3.09Å; H182-S184 PolarHBondContact O-N 3.28Å; H182-S184 VanDerWaalsContact O-N 3.1Å
185S98Very high97.2Very high62 Ų6244.6 Ų44.643%0.43425%0.25SC..G310 helixtrans-91.2-9.6-178.9-56.60000112.9H182 A183H182-S185 WeakPolarHBondContact O-CB 3.36Å; H182-S185 PolarHBondContact O-N 2.89Å; A183-S185 PolarHBondContact O-N 3.17Å
186F98.3Very high96.8Very high0 Ų049.5 Ų49.50%028%0.276CS..EExtended strand (participates in β ladder)trans-96133.4171.8-173.3-86.9000110.2F171 R172 M175 A176 L179 I181 A183 V205 V207 L212F171-F186 HydrophobicContact CD1-CE1 4.43Å; F171-F186 HydrophobicContact CE1-CE1 4.15Å; R172-F186 HydrophobicContact CB-CD1 4.22Å; R172-F186 HydrophobicContact CG-CD1 4.07Å; R172-F186 PolarHBondContact NE-O 3.44Å; R172-F186 PolarHBondContact NH2-O 3.01Å; M175-F186 HydrophobicContact CB-CD1 3.89Å; M175-F186 HydrophobicContact CB-CD2 4Å; M175-F186 HydrophobicContact CB-CE1 3.45Å; M175-F186 VanDerWaalsContact CB-CE1 3.45Å; M175-F186 HydrophobicContact CB-CE2 3.56Å; M175-F186 HydrophobicContact CB-CG 4.14Å; M175-F186 HydrophobicContact CB-CZ 3.25Å; M175-F186 HydrophobicContact CE-CE2 4.2Å; M175-F186 HydrophobicContact CE-CZ 3.6Å; M175-F186 HydrophobicContact CG-CE1 3.71Å; M175-F186 HydrophobicContact CG-CE2 4.35Å; M175-F186 HydrophobicContact CG-CZ 3.59Å; M175-F186 HydrophobicContact SD-CZ 4.47Å; A176-F186 HydrophobicContact CB-CB 4.05Å; L179-F186 HydrophobicContact CD1-CD2 3.75Å; L179-F186 HydrophobicContact CD1-CE2 3.78Å; I181-F186 HydrophobicContact CD1-CB 4.31Å; A183-F186 PolarHBondContact O-N 3.29Å; A183-F186 VanDerWaalsContact O-O 3.12Å; F186-V205 HydrophobicContact CE1-CG1 4.02Å; F186-V205 HydrophobicContact CE2-CG1 3.91Å; F186-V205 HydrophobicContact CZ-CG1 3.28Å; F186-V207 HydrophobicContact CD2-CG2 3.6Å; F186-V207 HydrophobicContact CE2-CG2 4.17Å; F186-V207 HydrophobicContact CG-CG2 4.49Å; F186-L212 HydrophobicContact CE2-CD1 3.91Å; F186-L212 HydrophobicContact CZ-CD1 4.46Å
187N97.9Very high96.6Very high59 Ų5951.2 Ų51.232%0.31629%0.286SS..EExtended strand (participates in β ladder)trans-115123.3177.2-59.7-57000109.9V205 N206N187-V205 WeakPolarHBondContact O-CA 3.46Å; N187-N206 PolarHBondContact N-O 2.99Å; N187-N206 PolarHBondContact ND2-OD1 3.12Å; N187-N206 PolarHBondContact O-N 3.42Å
188G97.6Very high96.5Very high3 Ų345.7 Ų45.73%0.03126%0.261CS..  trans-166.1150.517700000109.5
189W98.3Very high96.6Very high67 Ų6740.1 Ų40.125%0.25424%0.24SC..  trans-127132.6-172.9-58.191.4000110L191 V201 I271 P273 P293W189-L191 HydrophobicContact CB-CD2 4.2Å; W189-L191 HydrophobicContact CB-CG 4.41Å; W189-V201 HydrophobicContact CB-CB 4.44Å; W189-V201 HydrophobicContact CB-CG2 4.42Å; W189-V201 PolarHBondContact O-N 2.95Å; W189-I271 HydrophobicContact CH2-CB 4.27Å; W189-I271 HydrophobicContact CH2-CG2 3.67Å; W189-I271 HydrophobicContact CZ2-CG2 4.45Å; W189-I271 HydrophobicContact CZ3-CG2 4.14Å; W189-P273 HydrophobicContact CE3-CB 3.98Å; W189-P273 HydrophobicContact CE3-CG 3.79Å; W189-P273 HydrophobicContact CZ3-CB 4.28Å; W189-P273 HydrophobicContact CZ3-CG 3.92Å; W189-P293 HydrophobicContact CE3-CB 4.3Å; W189-P293 HydrophobicContact CE3-CG 4.39Å; W189-P293 HydrophobicContact CZ3-CB 4.12Å
190V98.4Very high96.7Very high0 Ų037.1 Ų37.10%023%0.225CC..EExtended strand (participates in β ladder)trans-107.7122.7164.6179.80000106.4T164 D167 S168 F171 V199T164-V190 WeakPolarHBondContact CB-O 3.37Å; T164-V190 HydrophobicContact CG2-CG1 4.35Å; T164-V190 PolarHBondContact OG1-O 2.79Å; D167-V190 HydrophobicContact CB-CB 4.31Å; D167-V190 HydrophobicContact CB-CG1 4.14Å; S168-V190 PolarHBondContact OG-N 2.8Å; S168-V190 PolarHBondContact OG-O 3.01Å; S168-V190 VanDerWaalsContact OG-O 3.11Å; F171-V190 HydrophobicContact CB-CG2 3.72Å; F171-V190 HydrophobicContact CD1-CG2 4.24Å; F171-V190 HydrophobicContact CD2-CG2 4.34Å; F171-V190 HydrophobicContact CG-CG2 3.85Å; V190-V199 CarbonylContact C-O 3.57Å; V190-V199 WeakPolarHBondContact CA-O 3.05Å
191L98.5Very high96.7Very high1 Ų133.7 Ų33.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-118.8-172.9-176-57.4-173000111.1W189 S198 V199 V201 P273 S291 L292 P293 M307W189-L191 HydrophobicContact CB-CD2 4.2Å; W189-L191 HydrophobicContact CB-CG 4.41Å; L191-S198 WeakPolarHBondContact O-CA 3.46Å; L191-V199 PolarHBondContact N-O 3.13Å; L191-V199 PolarHBondContact O-N 2.76Å; L191-V201 HydrophobicContact CB-CG2 4.47Å; L191-V201 HydrophobicContact CD1-CG2 3.59Å; L191-V201 HydrophobicContact CG-CG2 3.75Å; L191-P273 HydrophobicContact CD2-CB 3.91Å; L191-S291 WeakPolarHBondContact CB-O 3.25Å; L191-L292 HydrophobicContact CD1-CD2 4.25Å; L191-P293 HydrophobicContact CD2-CG 4Å; L191-M307 HydrophobicContact CD1-SD 3.68Å
192G98Very high96.7Very high0 Ų031.5 Ų31.50%018%0.177CC..EExtended strand (participates in β ladder)trans81.1-150.3174.900000112.8S291G192-S291 PolarHBondContact N-O 3.12Å; G192-S291 WeakPolarHBondContact O-CB 3.29Å; G192-S291 PolarHBondContact O-N 2.91Å; G192-S291 PolarHBondContact O-OG 2.82Å
193E97.4Very high96.6Very high3 Ų326.3 Ų26.31%0.01416%0.156CC..SBendtrans-64.3137.2174.8173.5178158.400110.4R107 D142 G195 T197 S198 L324R107-E193 IonicContact CZ-OE1 3.81Å; R107-E193 IonicContact NH1-OE1 2.74Å; R107-E193 PolarHBondContact NH1-OE1 3.49Å; R107-E193 IonicContact NH2-OE1 3.83Å; R107-E193 PolarHBondContact NH2-OE1 2.79Å; D142-E193 WeakPolarHBondContact OD2-CA 3.28Å; E193-G195 PolarHBondContact O-N 3.48Å; E193-G195 VanDerWaalsContact O-N 3.14Å; E193-T197 WeakPolarHBondContact CB-OG1 3.47Å; E193-T197 PolarHBondContact OE2-OG1 3.47Å; E193-S198 VanDerWaalsContact O-CA 3.23Å; E193-S198 WeakPolarHBondContact O-CA 3.32Å; E193-S198 WeakPolarHBondContact O-CB 3.47Å; E193-S198 PolarHBondContact O-N 2.87Å; E193-L324 HydrophobicContact CB-CD1 3.98Å; E193-L324 HydrophobicContact CB-CG 4.33Å; E193-L324 HydrophobicContact CG-CD1 4.37Å; E193-L324 HydrophobicContact CG-CD2 4.05Å; E193-L324 HydrophobicContact CG-CG 4.35Å
194H95.6Very high96.5Very high43 Ų4326 Ų2620%0.19916%0.156CC..SBendtrans-68.9103.7163.3174.754.7000109.9N139 V141 D142 T164 D167N139-H194 PolarHBondContact OD1-CD2 3.12Å; V141-H194 HydrophobicContact CG1-CB 3.55Å; D142-H194 PolarHBondContact OD2-N 3.39Å; T164-H194 HydrophobicContact CG2-CB 4.43Å; D167-H194 IonicContact OD1-CE1 3.15Å; D167-H194 IonicContact OD1-ND1 2.72Å; D167-H194 IonicContact OD2-CE1 2.61Å; D167-H194 PolarHBondContact OD2-CE1 3.07Å; D167-H194 IonicContact OD2-CG 3.73Å; D167-H194 IonicContact OD2-ND1 2.67Å; D167-H194 PolarHBondContact OD2-ND1 3.15Å
195G89.5Confident96.6Very high17 Ų1722.6 Ų22.618%0.17513%0.132CC..SBendtrans139.8-146.217800000113.1E193 T197 S198E193-G195 PolarHBondContact O-N 3.48Å; E193-G195 VanDerWaalsContact O-N 3.14Å; G195-T197 VanDerWaalsContact C-N 3.25Å; G195-T197 PolarHBondContact O-N 2.93Å; G195-S198 WeakPolarHBondContact O-CB 3.35Å; G195-S198 PolarHBondContact O-N 3.38Å; G195-S198 PolarHBondContact O-OG 3.31Å
196D87.6Confident96.6Very high104 Ų10421.2 Ų21.256%0.55612%0.119SC*.THydrogen-bonded Turntrans-64.8-26.6-167.7-57.5-13.4000113.6V236 Y240D196-V236 WeakPolarHBondContact OD1-CG1 3.44Å; D196-Y240 PolarHBondContact OD1-OH 2.96Å; D196-Y240 VanDerWaalsContact OD1-OH 3.1Å
197T93.4Very high96.6Very high38 Ų3823 Ų2323%0.23313%0.13CC..THydrogen-bonded Turntrans-102.926.9176.362.70000112.5E193 G195 S320E193-T197 WeakPolarHBondContact CB-OG1 3.47Å; E193-T197 PolarHBondContact OE2-OG1 3.47Å; G195-T197 VanDerWaalsContact C-N 3.25Å; G195-T197 PolarHBondContact O-N 2.93Å; T197-S320 PolarHBondContact O-OG 3.39Å
198S96.5Very high96.6Very high6 Ų624.7 Ų24.74%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-66.1151.1169.559.60000111.5L191 E193 G195 H232L191-S198 WeakPolarHBondContact O-CA 3.46Å; E193-S198 VanDerWaalsContact O-CA 3.23Å; E193-S198 WeakPolarHBondContact O-CA 3.32Å; E193-S198 WeakPolarHBondContact O-CB 3.47Å; E193-S198 PolarHBondContact O-N 2.87Å; G195-S198 WeakPolarHBondContact O-CB 3.35Å; G195-S198 PolarHBondContact O-N 3.38Å; G195-S198 PolarHBondContact O-OG 3.31Å; S198-H232 PolarHBondContact O-CE1 3.34Å; S198-H232 PolarHBondContact O-NE2 2.81Å; S198-H232 PolarHBondContact OG-NE2 2.9Å
199V98.2Very high96.6Very high3 Ų327.4 Ų27.42%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-115.8104.1-170.7-172.50000110.3V190 L191 V201 E313 Q316V190-V199 CarbonylContact C-O 3.57Å; V190-V199 WeakPolarHBondContact CA-O 3.05Å; L191-V199 PolarHBondContact N-O 3.13Å; L191-V199 PolarHBondContact O-N 2.76Å; V199-V201 PolarHBondContact O-N 3.22Å; V199-E313 HydrophobicContact CG1-CB 4.47Å; V199-Q316 HydrophobicContact CB-CB 4.45Å; V199-Q316 HydrophobicContact CG1-CB 3.87Å; V199-Q316 HydrophobicContact CG2-CB 3.76Å
200P97.6Very high96.6Very high4 Ų427.9 Ų27.93%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-72.7121.7171.631.4-33.5000109.4W202 H232P200-W202 VanDerWaalsContact C-N 3.34Å; P200-W202 HydrophobicContact CB-CD2 4.31Å; P200-W202 HydrophobicContact CB-CZ2 3.88Å; P200-W202 HydrophobicContact CG-CZ2 3.92Å; P200-W202 VanDerWaalsContact CG-NE1 3.34Å; P200-W202 PolarHBondContact O-N 3.1Å; P200-W202 VanDerWaalsContact O-N 3.09Å; P200-H232 HydrophobicContact CB-CB 4.09Å; P200-H232 HydrophobicContact CG-CB 4Å
201V98.1Very high96.5Very high1 Ų129.6 Ų29.61%0.00620%0.2CC..  trans-8777.1179.3-172.80000109.6W189 L191 V199 S203 G204 M307 L309 E313W189-V201 HydrophobicContact CB-CB 4.44Å; W189-V201 HydrophobicContact CB-CG2 4.42Å; W189-V201 PolarHBondContact O-N 2.95Å; L191-V201 HydrophobicContact CB-CG2 4.47Å; L191-V201 HydrophobicContact CD1-CG2 3.59Å; L191-V201 HydrophobicContact CG-CG2 3.75Å; V199-V201 PolarHBondContact O-N 3.22Å; V201-S203 PolarHBondContact O-N 3.2Å; V201-G204 PolarHBondContact O-N 3.36Å; V201-G204 VanDerWaalsContact O-N 3.13Å; V201-M307 HydrophobicContact CB-CE 4.39Å; V201-M307 HydrophobicContact CG1-CE 3.76Å; V201-M307 HydrophobicContact CG2-CE 4.49Å; V201-L309 HydrophobicContact CB-CD2 4.4Å; V201-L309 HydrophobicContact CG1-CD2 3.54Å; V201-L309 HydrophobicContact CG2-CD2 3.87Å; V201-E313 VanDerWaalsContact C-OE1 3.31Å; V201-E313 VanDerWaalsContact CA-OE1 3.3Å; V201-E313 WeakPolarHBondContact CA-OE1 3.4Å; V201-E313 WeakPolarHBondContact CG1-OE1 3.42Å
202W97.9Very high96.5Very high17 Ų1730.5 Ų30.56%0.06421%0.205CC..G310 helixtrans-58.5-35.4-178.9-60.7114.2000112.3F171 M175 P200 G204 V205 F219 G220 W228 H232 E313F171-W202 AromaticContact CE2-CH2 3.63Å; F171-W202 HydrophobicContact CE2-CH2 3.63Å; F171-W202 HydrophobicContact CE2-CZ2 4.45Å; F171-W202 AromaticContact CE2-CZ3 3.77Å; F171-W202 HydrophobicContact CE2-CZ3 3.77Å; F171-W202 HydrophobicContact CZ-CE3 4.03Å; F171-W202 AromaticContact CZ-CH2 3.83Å; F171-W202 HydrophobicContact CZ-CH2 3.83Å; F171-W202 AromaticContact CZ-CZ3 3.48Å; F171-W202 HydrophobicContact CZ-CZ3 3.48Å; F171-W202 VanDerWaalsContact CZ-CZ3 3.48Å; M175-W202 HydrophobicContact CE-CZ3 4.02Å; M175-W202 HydrophobicContact SD-CZ3 4.49Å; P200-W202 VanDerWaalsContact C-N 3.34Å; P200-W202 HydrophobicContact CB-CD2 4.31Å; P200-W202 HydrophobicContact CB-CZ2 3.88Å; P200-W202 HydrophobicContact CG-CZ2 3.92Å; P200-W202 VanDerWaalsContact CG-NE1 3.34Å; P200-W202 PolarHBondContact O-N 3.1Å; P200-W202 VanDerWaalsContact O-N 3.09Å; W202-G204 PolarHBondContact O-N 3.2Å; W202-V205 HydrophobicContact CE3-CG2 4.31Å; W202-V205 WeakPolarHBondContact O-CB 3.3Å; W202-V205 PolarHBondContact O-N 3.2Å; W202-V205 VanDerWaalsContact O-N 3.12Å; W202-F219 AromaticContact CE3-CD1 3.94Å; W202-F219 HydrophobicContact CE3-CD1 3.94Å; W202-F219 AromaticContact CE3-CE1 3.68Å; W202-F219 HydrophobicContact CE3-CE1 3.68Å; W202-F219 HydrophobicContact CZ3-CD1 4.49Å; W202-F219 AromaticContact CZ3-CE1 3.96Å; W202-F219 HydrophobicContact CZ3-CE1 3.96Å; W202-G220 PolarHBondContact NE1-O 3.1Å; W202-W228 VanDerWaalsContact CH2-O 3.31Å; W202-W228 WeakPolarHBondContact CH2-O 3.46Å; W202-W228 HydrophobicContact CZ3-CB 4.45Å; W202-H232 HydrophobicContact CH2-CB 4.22Å; W202-H232 HydrophobicContact CZ2-CB 3.82Å; W202-E313 PolarHBondContact N-OE1 3.34Å; W202-E313 VanDerWaalsContact N-OE1 3.07Å
203S97.2Very high96.4Very high25 Ų2532.6 Ų32.618%0.17522%0.215CC..G310 helixtrans-62.1-23.8178.866.40000113.8V201 N211 E313V201-S203 PolarHBondContact O-N 3.2Å; S203-N211 PolarHBondContact O-ND2 3.2Å; S203-E313 WeakPolarHBondContact CB-OE1 3.48Å; S203-E313 PolarHBondContact N-OE1 3.04Å; S203-E313 VanDerWaalsContact N-OE1 3.08Å; S203-E313 VanDerWaalsContact OG-CD 3.26Å; S203-E313 PolarHBondContact OG-OE1 3.35Å; S203-E313 PolarHBondContact OG-OE2 2.9Å
204G96.2Very high96.4Very high21 Ų2141 Ų4122%0.21625%0.251CS..G310 helixtrans-96.5-5.9178.800000114.8V201 W202 N206V201-G204 PolarHBondContact O-N 3.36Å; V201-G204 VanDerWaalsContact O-N 3.13Å; W202-G204 PolarHBondContact O-N 3.2Å; G204-N206 PolarHBondContact O-N 3.24Å; G204-N206 PolarHBondContact O-ND2 3.5Å
205V97.7Very high96.4Very high0 Ų045 Ų450%027%0.273CS..  trans-68.2128-174.51740000111.1F171 F186 N187 W202 N211 L212 F219F171-V205 HydrophobicContact CE1-CG2 3.97Å; F171-V205 HydrophobicContact CZ-CG2 4.23Å; F186-V205 HydrophobicContact CE1-CG1 4.02Å; F186-V205 HydrophobicContact CE2-CG1 3.91Å; F186-V205 HydrophobicContact CZ-CG1 3.28Å; N187-V205 WeakPolarHBondContact O-CA 3.46Å; W202-V205 HydrophobicContact CE3-CG2 4.31Å; W202-V205 WeakPolarHBondContact O-CB 3.3Å; W202-V205 PolarHBondContact O-N 3.2Å; W202-V205 VanDerWaalsContact O-N 3.12Å; V205-N211 WeakPolarHBondContact O-CA 3.47Å; V205-L212 HydrophobicContact CG1-CB 4.29Å; V205-L212 HydrophobicContact CG1-CD1 3.67Å; V205-L212 HydrophobicContact CG1-CG 3.98Å; V205-L212 PolarHBondContact O-N 3.42Å; V205-F219 HydrophobicContact CB-CE1 4.13Å; V205-F219 HydrophobicContact CG1-CE1 3.84Å; V205-F219 HydrophobicContact CG1-CZ 4.14Å; V205-F219 HydrophobicContact CG2-CE1 4.47Å
206N98.4Very high96.7Very high33 Ų3346 Ų4618%0.17627%0.274CS..EExtended strand (participates in β ladder)trans-154.1158.1-179.77090.2000114N187 G204 G209 V210N187-N206 PolarHBondContact N-O 2.99Å; N187-N206 PolarHBondContact ND2-OD1 3.12Å; N187-N206 PolarHBondContact O-N 3.42Å; G204-N206 PolarHBondContact O-N 3.24Å; G204-N206 PolarHBondContact O-ND2 3.5Å; N206-G209 PolarHBondContact OD1-N 3.12Å; N206-V210 WeakPolarHBondContact CA-O 3.47Å; N206-V210 VanDerWaalsContact CB-O 3.26Å; N206-V210 WeakPolarHBondContact CB-O 3.4Å
207V98.4Very high97.1Very high38 Ų3845.4 Ų45.423%0.2328%0.277CS..EExtended strand (participates in β ladder)trans-123.2125.8166177.70000107.8L179 I181 F186 G209 V210L179-V207 HydrophobicContact CD1-CG2 3.97Å; I181-V207 HydrophobicContact CD1-CB 4.49Å; I181-V207 HydrophobicContact CD1-CG1 3.81Å; I181-V207 HydrophobicContact CD1-CG2 3.78Å; F186-V207 HydrophobicContact CD2-CG2 3.6Å; F186-V207 HydrophobicContact CE2-CG2 4.17Å; F186-V207 HydrophobicContact CG-CG2 4.49Å; V207-G209 PolarHBondContact O-N 3.22Å; V207-V210 PolarHBondContact N-O 2.85Å; V207-V210 VanDerWaalsContact N-O 3.13Å; V207-V210 WeakPolarHBondContact O-CB 3.47Å; V207-V210 PolarHBondContact O-N 3.5Å
208A97.4Very high97.3Very high95 Ų9547.8 Ų47.879%0.78529%0.285SS*.THydrogen-bonded Turntrans50.132.7-176.300000114V210A208-V210 VanDerWaalsContact C-N 3.27Å; A208-V210 PolarHBondContact O-N 3.21Å
209G97.3Very high97.2Very high60 Ų6047.8 Ų47.862%0.61928%0.284SS*.THydrogen-bonded Turntrans81.7-6.2-177.100000115.3N206 V207 N211N206-G209 PolarHBondContact OD1-N 3.12Å; V207-G209 PolarHBondContact O-N 3.22Å; G209-N211 PolarHBondContact O-N 2.87Å
210V98.3Very high97Very high77 Ų7747.8 Ų47.847%0.46729%0.285SS..EExtended strand (participates in β ladder)trans-77.5109.2172.6-175.20000108.9N206 V207 A208 L215N206-V210 WeakPolarHBondContact CA-O 3.47Å; N206-V210 VanDerWaalsContact CB-O 3.26Å; N206-V210 WeakPolarHBondContact CB-O 3.4Å; V207-V210 PolarHBondContact N-O 2.85Å; V207-V210 VanDerWaalsContact N-O 3.13Å; V207-V210 WeakPolarHBondContact O-CB 3.47Å; V207-V210 PolarHBondContact O-N 3.5Å; A208-V210 VanDerWaalsContact C-N 3.27Å; A208-V210 PolarHBondContact O-N 3.21Å; V210-L215 HydrophobicContact CG1-CD1 3.92Å; V210-L215 HydrophobicContact CG1-CD2 4.43Å; V210-L215 HydrophobicContact CG1-CG 4.27Å
211N97.8Very high96.8Very high36 Ų3651.3 Ų51.319%0.19330%0.303CS..EExtended strand (participates in β ladder)trans-70.7128179.3-178.9-71000110.8S203 V205 G209 Q213 K214S203-N211 PolarHBondContact O-ND2 3.2Å; V205-N211 WeakPolarHBondContact O-CA 3.47Å; G209-N211 PolarHBondContact O-N 2.87Å; N211-Q213 WeakPolarHBondContact OD1-CA 3.48Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.43Å; N211-Q213 PolarHBondContact OD1-N 3.43Å; N211-K214 HydrophobicContact CB-CB 4.43Å; N211-K214 HydrophobicContact CB-CD 4.13Å; N211-K214 HydrophobicContact CB-CG 4.04Å; N211-K214 WeakPolarHBondContact O-CB 3.43Å; N211-K214 PolarHBondContact O-N 2.85Å; N211-K214 PolarHBondContact OD1-N 3.32Å; N211-K214 VanDerWaalsContact OD1-N 3.13Å
212L97.3Very high96.5Very high20 Ų2058 Ų5811%0.10534%0.339CS..Hα-helixtrans-74.6-29-174.3-60.6-168.6000113.2L179 F186 V205 K214 L215 N216 F219L179-L212 HydrophobicContact CD1-CD1 4.47Å; F186-L212 HydrophobicContact CE2-CD1 3.91Å; F186-L212 HydrophobicContact CZ-CD1 4.46Å; V205-L212 HydrophobicContact CG1-CB 4.29Å; V205-L212 HydrophobicContact CG1-CD1 3.67Å; V205-L212 HydrophobicContact CG1-CG 3.98Å; V205-L212 PolarHBondContact O-N 3.42Å; L212-K214 PolarHBondContact O-N 3.25Å; L212-L215 HydrophobicContact CD2-CD1 4.21Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-L215 VanDerWaalsContact O-N 3.08Å; L212-N216 PolarHBondContact O-N 3.22Å; L212-F219 HydrophobicContact CB-CD1 4.12Å; L212-F219 HydrophobicContact CB-CD2 4.12Å; L212-F219 HydrophobicContact CB-CE1 3.92Å; L212-F219 HydrophobicContact CB-CE2 3.91Å; L212-F219 HydrophobicContact CB-CG 4.2Å; L212-F219 HydrophobicContact CB-CZ 3.79Å; L212-F219 HydrophobicContact CD1-CE1 4.15Å; L212-F219 HydrophobicContact CD1-CE2 3.75Å; L212-F219 HydrophobicContact CD1-CZ 3.39Å; L212-F219 HydrophobicContact CG-CE2 4.47Å; L212-F219 HydrophobicContact CG-CZ 4.21Å
213Q96.1Very high96.2Very high44 Ų4459.3 Ų59.321%0.20636%0.358CS..Hα-helixtrans-68.3-22172.3-78.8-172.2-23.300113.3N211 L215 N216 P217 F219N211-Q213 WeakPolarHBondContact OD1-CA 3.48Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.43Å; N211-Q213 PolarHBondContact OD1-N 3.43Å; Q213-L215 VanDerWaalsContact C-N 3.3Å; Q213-N216 WeakPolarHBondContact CA-O 3.2Å; Q213-N216 CarbonylContact O-C 3.57Å; Q213-N216 VanDerWaalsContact O-C 3.29Å; Q213-P217 VanDerWaalsContact O-CA 3.24Å; Q213-P217 WeakPolarHBondContact O-CA 3.49Å; Q213-F219 HydrophobicContact CG-CB 3.96Å; Q213-F219 HydrophobicContact CG-CD1 4.32Å; Q213-F219 PolarHBondContact NE2-O 3.44Å; Q213-F219 VanDerWaalsContact NE2-O 3.14Å
214K96.8Very high96.1Very high178 Ų17858.8 Ų58.877%0.77435%0.353SS*.Hα-helixtrans-72.4-24.6170.5-68.7-173.4179.1-179.30113N211 L212N211-K214 HydrophobicContact CB-CB 4.43Å; N211-K214 HydrophobicContact CB-CD 4.13Å; N211-K214 HydrophobicContact CB-CG 4.04Å; N211-K214 WeakPolarHBondContact O-CB 3.43Å; N211-K214 PolarHBondContact O-N 2.85Å; N211-K214 PolarHBondContact OD1-N 3.32Å; N211-K214 VanDerWaalsContact OD1-N 3.13Å; L212-K214 PolarHBondContact O-N 3.25Å
215L96.8Very high96Very high127 Ų12767.7 Ų67.767%0.66539%0.386SS*.Hα-helixtrans-88.9-40.2177.6-58.8-179.5000111.3V210 L212 Q213V210-L215 HydrophobicContact CG1-CD1 3.92Å; V210-L215 HydrophobicContact CG1-CD2 4.43Å; V210-L215 HydrophobicContact CG1-CG 4.27Å; L212-L215 HydrophobicContact CD2-CD1 4.21Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-L215 VanDerWaalsContact O-N 3.08Å; Q213-L215 VanDerWaalsContact C-N 3.3Å
216N96.6Very high95.9Very high38 Ų3873.7 Ų73.720%0.20341%0.414CS..  trans-130.398.7174.6173.311.8000108.5L212 Q213 E218 F219 D224L212-N216 PolarHBondContact O-N 3.22Å; Q213-N216 WeakPolarHBondContact CA-O 3.2Å; Q213-N216 CarbonylContact O-C 3.57Å; Q213-N216 VanDerWaalsContact O-C 3.29Å; N216-E218 PolarHBondContact O-N 2.84Å; N216-E218 VanDerWaalsContact O-N 3.09Å; N216-E218 PolarHBondContact OD1-N 3.05Å; N216-E218 VanDerWaalsContact OD1-N 3.13Å; N216-F219 HydrophobicContact CB-CB 4.08Å; N216-F219 WeakPolarHBondContact O-CB 3.41Å; N216-F219 PolarHBondContact O-N 2.95Å; N216-D224 PolarHBondContact ND2-OD1 2.84Å
217P95.9Very high95.7Very high93 Ų9376.4 Ų76.460%0.60443%0.428SS*.THydrogen-bonded Turntrans-57.3-23.9179.7-28.637000114.7Q213 F219Q213-P217 VanDerWaalsContact O-CA 3.24Å; Q213-P217 WeakPolarHBondContact O-CA 3.49Å; P217-F219 VanDerWaalsContact C-N 3.32Å
218E96.3Very high95.6Very high88 Ų8875.5 Ų75.541%0.41142%0.421SS..THydrogen-bonded Turntrans-86.3-0.1176.6-61.1-60.9144.800112.8N216 G220 L221 D224N216-E218 PolarHBondContact O-N 2.84Å; N216-E218 VanDerWaalsContact O-N 3.09Å; N216-E218 PolarHBondContact OD1-N 3.05Å; N216-E218 VanDerWaalsContact OD1-N 3.13Å; E218-G220 PolarHBondContact O-N 2.89Å; E218-L221 WeakPolarHBondContact O-CA 3.09Å; E218-L221 VanDerWaalsContact O-CB 3.27Å; E218-L221 WeakPolarHBondContact O-CB 3.5Å; E218-L221 PolarHBondContact O-N 2.97Å; E218-D224 VanDerWaalsContact O-CB 3.29Å; E218-D224 WeakPolarHBondContact O-CB 3.39Å
219F95.9Very high95.4Very high6 Ų675 Ų753%0.02640%0.401CS..THydrogen-bonded Turntrans-56.2120.3-174.7-176-89.2000112.5M175 W202 V205 L212 Q213 N216 P217 L221 W228M175-F219 HydrophobicContact CE-CE1 3.87Å; M175-F219 HydrophobicContact CE-CE2 4.26Å; M175-F219 HydrophobicContact CE-CZ 3.29Å; W202-F219 AromaticContact CE3-CD1 3.94Å; W202-F219 HydrophobicContact CE3-CD1 3.94Å; W202-F219 AromaticContact CE3-CE1 3.68Å; W202-F219 HydrophobicContact CE3-CE1 3.68Å; W202-F219 HydrophobicContact CZ3-CD1 4.49Å; W202-F219 AromaticContact CZ3-CE1 3.96Å; W202-F219 HydrophobicContact CZ3-CE1 3.96Å; V205-F219 HydrophobicContact CB-CE1 4.13Å; V205-F219 HydrophobicContact CG1-CE1 3.84Å; V205-F219 HydrophobicContact CG1-CZ 4.14Å; V205-F219 HydrophobicContact CG2-CE1 4.47Å; L212-F219 HydrophobicContact CB-CD1 4.12Å; L212-F219 HydrophobicContact CB-CD2 4.12Å; L212-F219 HydrophobicContact CB-CE1 3.92Å; L212-F219 HydrophobicContact CB-CE2 3.91Å; L212-F219 HydrophobicContact CB-CG 4.2Å; L212-F219 HydrophobicContact CB-CZ 3.79Å; L212-F219 HydrophobicContact CD1-CE1 4.15Å; L212-F219 HydrophobicContact CD1-CE2 3.75Å; L212-F219 HydrophobicContact CD1-CZ 3.39Å; L212-F219 HydrophobicContact CG-CE2 4.47Å; L212-F219 HydrophobicContact CG-CZ 4.21Å; Q213-F219 HydrophobicContact CG-CB 3.96Å; Q213-F219 HydrophobicContact CG-CD1 4.32Å; Q213-F219 PolarHBondContact NE2-O 3.44Å; Q213-F219 VanDerWaalsContact NE2-O 3.14Å; N216-F219 HydrophobicContact CB-CB 4.08Å; N216-F219 WeakPolarHBondContact O-CB 3.41Å; N216-F219 PolarHBondContact O-N 2.95Å; P217-F219 VanDerWaalsContact C-N 3.32Å; F219-L221 VanDerWaalsContact C-N 3.25Å; F219-L221 PolarHBondContact O-N 3.22Å; F219-W228 HydrophobicContact CD2-CB 4.18Å; F219-W228 AromaticContact CD2-CD1 3.41Å; F219-W228 VanDerWaalsContact CD2-CD1 3.41Å; F219-W228 HydrophobicContact CD2-CD2 4.19Å; F219-W228 AromaticContact CD2-CG 3.67Å; F219-W228 HydrophobicContact CD2-CG 3.67Å; F219-W228 AromaticContact CD2-NE1 3.8Å; F219-W228 HydrophobicContact CE2-CB 3.98Å; F219-W228 AromaticContact CE2-CD1 3.46Å; F219-W228 VanDerWaalsContact CE2-CD1 3.46Å; F219-W228 AromaticContact CE2-CD2 3.42Å; F219-W228 HydrophobicContact CE2-CD2 3.42Å; F219-W228 VanDerWaalsContact CE2-CD2 3.42Å; F219-W228 AromaticContact CE2-CE2 3.6Å; F219-W228 HydrophobicContact CE2-CE3 4.08Å; F219-W228 AromaticContact CE2-CG 3.34Å; F219-W228 HydrophobicContact CE2-CG 3.34Å; F219-W228 HydrophobicContact CE2-CZ2 4.37Å; F219-W228 AromaticContact CE2-NE1 3.6Å; F219-W228 HydrophobicContact CZ-CB 4.23Å; F219-W228 AromaticContact CZ-CD2 3.98Å; F219-W228 HydrophobicContact CZ-CD2 3.98Å; F219-W228 HydrophobicContact CZ-CE3 4.23Å; F219-W228 AromaticContact CZ-CG 3.98Å; F219-W228 HydrophobicContact CZ-CG 3.98Å
220G93Very high95.3Very high3 Ų373.6 Ų73.63%0.03138%0.383CS..THydrogen-bonded Turntrans78.13.6-177.800000115W202 E218 D224W202-G220 PolarHBondContact NE1-O 3.1Å; E218-G220 PolarHBondContact O-N 2.89Å; G220-D224 PolarHBondContact N-OD2 3.38Å; G220-D224 VanDerWaalsContact N-OD2 3.14Å
221L93.4Very high95.1Very high78 Ų7870 Ų7041%0.40836%0.361SS..SBendtrans-100.7172.8175.8-50.9-176.3000111E218 F219 G223 D224E218-L221 WeakPolarHBondContact O-CA 3.09Å; E218-L221 VanDerWaalsContact O-CB 3.27Å; E218-L221 WeakPolarHBondContact O-CB 3.5Å; E218-L221 PolarHBondContact O-N 2.97Å; F219-L221 VanDerWaalsContact C-N 3.25Å; F219-L221 PolarHBondContact O-N 3.22Å; L221-G223 PolarHBondContact O-N 3.34Å; L221-D224 WeakPolarHBondContact O-CB 3.48Å; L221-D224 PolarHBondContact O-N 3.22Å
222D91.7Very high94.9Very high141 Ų14169.7 Ų69.775%0.75436%0.359SS*.THydrogen-bonded Turntrans-69.5-20.4-178.8-66.8-37.4000113.3D224 K229D222-D224 VanDerWaalsContact C-N 3.27Å; D222-D224 PolarHBondContact O-N 2.99Å; D222-K229 IonicContact OD1-NZ 2.7Å; D222-K229 PolarHBondContact OD1-NZ 3.24Å; D222-K229 IonicContact OD2-NZ 2.76Å
223G92.1Very high94.6Very high45 Ų4574.8 Ų74.846%0.46438%0.38SS..THydrogen-bonded Turntrans-80.8-2175.300000114.5L221 K225L221-G223 PolarHBondContact O-N 3.34Å; G223-K225 PolarHBondContact O-N 2.91Å
224D94.3Very high94.5Very high14 Ų1474.5 Ų74.58%0.07539%0.385CS..  trans-70.5110.4-174.5-165.7-4.1000112.5N216 E218 G220 L221 D222 E226 D227 W228N216-D224 PolarHBondContact ND2-OD1 2.84Å; E218-D224 VanDerWaalsContact O-CB 3.29Å; E218-D224 WeakPolarHBondContact O-CB 3.39Å; G220-D224 PolarHBondContact N-OD2 3.38Å; G220-D224 VanDerWaalsContact N-OD2 3.14Å; L221-D224 WeakPolarHBondContact O-CB 3.48Å; L221-D224 PolarHBondContact O-N 3.22Å; D222-D224 VanDerWaalsContact C-N 3.27Å; D222-D224 PolarHBondContact O-N 2.99Å; D224-E226 PolarHBondContact O-N 3.25Å; D224-E226 PolarHBondContact OD1-N 2.99Å; D224-E226 VanDerWaalsContact OD1-N 3.13Å; D224-D227 PolarHBondContact O-N 3.26Å; D224-D227 VanDerWaalsContact O-N 3.15Å; D224-W228 WeakPolarHBondContact OD2-CB 3.48Å; D224-W228 PolarHBondContact OD2-N 3.42Å; D224-W228 VanDerWaalsContact OD2-N 3.07Å
225K94.5Very high94.4Very high208 Ų20866 Ų6690%0.90435%0.348SS*.THydrogen-bonded Turntrans-67.5-21.1179.3-64.1-177.1-177.5176.40113.6G223G223-K225 PolarHBondContact O-N 2.91Å
226E95.2Very high94Very high125 Ų12561 Ų6158%0.58432%0.323SS*.THydrogen-bonded Turntrans-92.6-2.7178.7-66.7178-158.400112.4D224 W228D224-E226 PolarHBondContact O-N 3.25Å; D224-E226 PolarHBondContact OD1-N 2.99Å; D224-E226 VanDerWaalsContact OD1-N 3.13Å; E226-W228 VanDerWaalsContact C-N 3.35Å; E226-W228 PolarHBondContact O-N 3.4Å; E226-W228 PolarHBondContact OE2-NE1 3.18Å
227D95.1Very high93.8Very high91 Ų9162 Ų6249%0.48733%0.328SS..  trans48.452.3178.8-169.117.4000112.6R178 D224 K229 A230R178-D227 PolarHBondContact NH1-O 3.25Å; D224-D227 PolarHBondContact O-N 3.26Å; D224-D227 VanDerWaalsContact O-N 3.15Å; D227-K229 PolarHBondContact O-N 3.22Å; D227-A230 PolarHBondContact O-N 3.02Å; D227-A230 WeakPolarHBondContact OD1-CB 3.32Å; D227-A230 PolarHBondContact OD1-N 3.11Å; D227-A230 WeakPolarHBondContact OD2-CB 3.4Å
228W95.4Very high93.4Very high18 Ų1858.7 Ų58.77%0.06831%0.308CS..  trans-67.5-25.9174.2-70.196.7000111.8M175 R178 L179 W202 F219 D224 E226 A230 T231M175-W228 HydrophobicContact CE-CD2 4.22Å; M175-W228 HydrophobicContact CE-CE3 3.38Å; M175-W228 HydrophobicContact CE-CZ3 3.81Å; M175-W228 HydrophobicContact SD-CE3 3.55Å; M175-W228 VanDerWaalsContact SD-CE3 3.55Å; M175-W228 HydrophobicContact SD-CZ3 3.9Å; R178-W228 HydrophobicContact CB-CH2 3.59Å; R178-W228 HydrophobicContact CB-CZ3 3.6Å; R178-W228 HydrophobicContact CG-CH2 4.44Å; R178-W228 HydrophobicContact CG-CZ3 4.12Å; L179-W228 HydrophobicContact CD2-CH2 3.76Å; L179-W228 HydrophobicContact CD2-CZ2 4.23Å; L179-W228 HydrophobicContact CG-CH2 3.95Å; W202-W228 VanDerWaalsContact CH2-O 3.31Å; W202-W228 WeakPolarHBondContact CH2-O 3.46Å; W202-W228 HydrophobicContact CZ3-CB 4.45Å; F219-W228 HydrophobicContact CD2-CB 4.18Å; F219-W228 AromaticContact CD2-CD1 3.41Å; F219-W228 VanDerWaalsContact CD2-CD1 3.41Å; F219-W228 HydrophobicContact CD2-CD2 4.19Å; F219-W228 AromaticContact CD2-CG 3.67Å; F219-W228 HydrophobicContact CD2-CG 3.67Å; F219-W228 AromaticContact CD2-NE1 3.8Å; F219-W228 HydrophobicContact CE2-CB 3.98Å; F219-W228 AromaticContact CE2-CD1 3.46Å; F219-W228 VanDerWaalsContact CE2-CD1 3.46Å; F219-W228 AromaticContact CE2-CD2 3.42Å; F219-W228 HydrophobicContact CE2-CD2 3.42Å; F219-W228 VanDerWaalsContact CE2-CD2 3.42Å; F219-W228 AromaticContact CE2-CE2 3.6Å; F219-W228 HydrophobicContact CE2-CE3 4.08Å; F219-W228 AromaticContact CE2-CG 3.34Å; F219-W228 HydrophobicContact CE2-CG 3.34Å; F219-W228 HydrophobicContact CE2-CZ2 4.37Å; F219-W228 AromaticContact CE2-NE1 3.6Å; F219-W228 HydrophobicContact CZ-CB 4.23Å; F219-W228 AromaticContact CZ-CD2 3.98Å; F219-W228 HydrophobicContact CZ-CD2 3.98Å; F219-W228 HydrophobicContact CZ-CE3 4.23Å; F219-W228 AromaticContact CZ-CG 3.98Å; F219-W228 HydrophobicContact CZ-CG 3.98Å; D224-W228 WeakPolarHBondContact OD2-CB 3.48Å; D224-W228 PolarHBondContact OD2-N 3.42Å; D224-W228 VanDerWaalsContact OD2-N 3.07Å; E226-W228 VanDerWaalsContact C-N 3.35Å; E226-W228 PolarHBondContact O-N 3.4Å; E226-W228 PolarHBondContact OE2-NE1 3.18Å; W228-A230 PolarHBondContact O-N 3.23Å; W228-T231 VanDerWaalsContact O-CB 3.24Å; W228-T231 WeakPolarHBondContact O-CB 3.32Å; W228-T231 PolarHBondContact O-N 2.86Å; W228-T231 PolarHBondContact O-OG1 3.05Å
229K94.1Very high92.7Very high86 Ų8655.6 Ų55.637%0.37430%0.297SS..Hα-helixtrans-58.5-34.9175.5-173.7175.1174178.30112.4D222 D227 T231 H232 K233D222-K229 IonicContact OD1-NZ 2.7Å; D222-K229 PolarHBondContact OD1-NZ 3.24Å; D222-K229 IonicContact OD2-NZ 2.76Å; D227-K229 PolarHBondContact O-N 3.22Å; K229-T231 PolarHBondContact O-N 2.61Å; K229-T231 VanDerWaalsContact O-N 3.11Å; K229-H232 PolarHBondContact O-N 3.06Å; K229-H232 VanDerWaalsContact O-N 3.08Å; K229-K233 PolarHBondContact O-N 2.93Å
230A94.5Very high92.3Very high30 Ų3061.5 Ų61.525%0.24832%0.32CS..Hα-helixtrans-57.2-24.8173.700000113.7D227 W228 K233 A234D227-A230 PolarHBondContact O-N 3.02Å; D227-A230 WeakPolarHBondContact OD1-CB 3.32Å; D227-A230 PolarHBondContact OD1-N 3.11Å; D227-A230 WeakPolarHBondContact OD2-CB 3.4Å; W228-A230 PolarHBondContact O-N 3.23Å; A230-K233 PolarHBondContact O-N 2.94Å; A230-A234 WeakPolarHBondContact O-CB 3.31Å; A230-A234 PolarHBondContact O-N 2.76Å
231T93.9Very high92.2Very high1 Ų166.9 Ų66.91%0.00634%0.344CS..Hα-helixtrans-65-41.4175.4-55.60000112F171 L174 M175 R178 W228 K229 K233 A234 V235F171-T231 HydrophobicContact CD2-CG2 4.15Å; F171-T231 HydrophobicContact CE2-CG2 4.27Å; L174-T231 HydrophobicContact CB-CG2 3.45Å; L174-T231 VanDerWaalsContact CB-CG2 3.45Å; L174-T231 HydrophobicContact CD1-CG2 4.07Å; L174-T231 HydrophobicContact CG-CG2 4.42Å; M175-T231 HydrophobicContact CG-CG2 3.85Å; M175-T231 HydrophobicContact SD-CG2 3.47Å; M175-T231 WeakPolarHBondContact SD-CG2 3.2Å; R178-T231 PolarHBondContact NE-OG1 2.87Å; R178-T231 PolarHBondContact NH2-OG1 3.39Å; W228-T231 VanDerWaalsContact O-CB 3.24Å; W228-T231 WeakPolarHBondContact O-CB 3.32Å; W228-T231 PolarHBondContact O-N 2.86Å; W228-T231 PolarHBondContact O-OG1 3.05Å; K229-T231 PolarHBondContact O-N 2.61Å; K229-T231 VanDerWaalsContact O-N 3.11Å; T231-K233 VanDerWaalsContact C-N 3.34Å; T231-A234 PolarHBondContact O-N 3.4Å; T231-V235 WeakPolarHBondContact O-CG2 3.44Å; T231-V235 PolarHBondContact O-N 3.44Å
232H93.6Very high92.2Very high29 Ų2965.9 Ų65.913%0.13434%0.341CS..Hα-helixtrans-65.5-40.2176173.1-115.2000111.3S198 P200 W202 K229 A234 V235 V236S198-H232 PolarHBondContact O-CE1 3.34Å; S198-H232 PolarHBondContact O-NE2 2.81Å; S198-H232 PolarHBondContact OG-NE2 2.9Å; P200-H232 HydrophobicContact CB-CB 4.09Å; P200-H232 HydrophobicContact CG-CB 4Å; W202-H232 HydrophobicContact CH2-CB 4.22Å; W202-H232 HydrophobicContact CZ2-CB 3.82Å; K229-H232 PolarHBondContact O-N 3.06Å; K229-H232 VanDerWaalsContact O-N 3.08Å; H232-A234 VanDerWaalsContact C-N 3.33Å; H232-A234 PolarHBondContact O-N 3.21Å; H232-V235 WeakPolarHBondContact O-CB 3.32Å; H232-V235 PolarHBondContact O-N 2.87Å; H232-V235 VanDerWaalsContact O-N 3.11Å; H232-V236 PolarHBondContact O-N 2.61Å; H232-V236 VanDerWaalsContact O-N 3.14Å
233K92.6Very high92Very high127 Ų12762.9 Ų62.955%0.55232%0.324SS*.Hα-helixtrans-57.6-46172.3177.4165.117544.60111.7K229 A230 T231 V235 V236 D237K229-K233 PolarHBondContact O-N 2.93Å; A230-K233 PolarHBondContact O-N 2.94Å; T231-K233 VanDerWaalsContact C-N 3.34Å; K233-V235 VanDerWaalsContact C-N 3.29Å; K233-V235 PolarHBondContact O-N 3.31Å; K233-V236 PolarHBondContact O-N 2.92Å; K233-D237 WeakPolarHBondContact CE-OD2 3.36Å; K233-D237 WeakPolarHBondContact CG-OD2 3.44Å; K233-D237 IonicContact NZ-OD1 3.61Å; K233-D237 IonicContact NZ-OD2 2.78Å; K233-D237 PolarHBondContact NZ-OD2 2.9Å; K233-D237 WeakPolarHBondContact O-CB 3.11Å; K233-D237 VanDerWaalsContact O-CG 3.26Å; K233-D237 PolarHBondContact O-N 2.74Å
234A93.6Very high92.1Very high38 Ų3869.7 Ų69.731%0.31434%0.341SS..Hα-helixtrans-62.2-33.5176.200000112.7L174 A230 T231 H232 D237 S238L174-A234 HydrophobicContact CD1-CB 3.91Å; A230-A234 WeakPolarHBondContact O-CB 3.31Å; A230-A234 PolarHBondContact O-N 2.76Å; T231-A234 PolarHBondContact O-N 3.4Å; H232-A234 VanDerWaalsContact C-N 3.33Å; H232-A234 PolarHBondContact O-N 3.21Å; A234-D237 PolarHBondContact O-N 3.21Å; A234-S238 WeakPolarHBondContact O-CA 3.37Å; A234-S238 VanDerWaalsContact O-CB 3.32Å; A234-S238 WeakPolarHBondContact O-CB 3.46Å; A234-S238 PolarHBondContact O-N 3.25Å; A234-S238 PolarHBondContact O-OG 2.91Å
235V93.1Very high92.1Very high0 Ų075.6 Ų75.60%037%0.372CS..Hα-helixtrans-62.1-48.5173.9170.40000111.5D167 R170 F171 L174 T231 H232 K233 S238D167-V235 HydrophobicContact CB-CG1 3.83Å; D167-V235 WeakPolarHBondContact O-CG1 3.46Å; R170-V235 HydrophobicContact CB-CG1 4.07Å; R170-V235 HydrophobicContact CB-CG2 4.15Å; F171-V235 VanDerWaalsContact CA-CG2 3.46Å; F171-V235 HydrophobicContact CB-CG2 3.83Å; F171-V235 HydrophobicContact CD2-CG2 4.1Å; F171-V235 HydrophobicContact CG-CG2 4.49Å; L174-V235 HydrophobicContact CD1-CG2 3.84Å; T231-V235 WeakPolarHBondContact O-CG2 3.44Å; T231-V235 PolarHBondContact O-N 3.44Å; H232-V235 WeakPolarHBondContact O-CB 3.32Å; H232-V235 PolarHBondContact O-N 2.87Å; H232-V235 VanDerWaalsContact O-N 3.11Å; K233-V235 VanDerWaalsContact C-N 3.29Å; K233-V235 PolarHBondContact O-N 3.31Å; V235-S238 WeakPolarHBondContact O-CB 3.34Å; V235-S238 PolarHBondContact O-N 2.88Å
236V90.4Very high92.1Very high22 Ų2269.4 Ų69.413%0.13335%0.345CS..Hα-helixtrans-62.5-46.4177.3176.50000109.8D196 H232 K233 S238 Y240D196-V236 WeakPolarHBondContact OD1-CG1 3.44Å; H232-V236 PolarHBondContact O-N 2.61Å; H232-V236 VanDerWaalsContact O-N 3.14Å; K233-V236 PolarHBondContact O-N 2.92Å; V236-S238 VanDerWaalsContact C-N 3.29Å; V236-S238 PolarHBondContact O-N 3.45Å; V236-Y240 HydrophobicContact CG1-CE2 4.43Å
237D91.4Very high92Very high59 Ų5965.2 Ų65.232%0.31634%0.336SS..Hα-helixtrans-69.3-24.9-178-67.4-18.1000113K233 A234 A239 Y240 E241K233-D237 WeakPolarHBondContact CE-OD2 3.36Å; K233-D237 WeakPolarHBondContact CG-OD2 3.44Å; K233-D237 IonicContact NZ-OD1 3.61Å; K233-D237 IonicContact NZ-OD2 2.78Å; K233-D237 PolarHBondContact NZ-OD2 2.9Å; K233-D237 WeakPolarHBondContact O-CB 3.11Å; K233-D237 VanDerWaalsContact O-CG 3.26Å; K233-D237 PolarHBondContact O-N 2.74Å; A234-D237 PolarHBondContact O-N 3.21Å; D237-A239 VanDerWaalsContact C-N 3.27Å; D237-A239 PolarHBondContact O-N 3.5Å; D237-Y240 PolarHBondContact O-N 3.15Å; D237-E241 PolarHBondContact O-N 2.7Å
238S87.6Confident91.8Very high24 Ų2464.2 Ų64.217%0.16833%0.326CS..Hα-helixtrans-56.7-38-177.2-71.70000112.9A234 V235 V236 V242A234-S238 WeakPolarHBondContact O-CA 3.37Å; A234-S238 VanDerWaalsContact O-CB 3.32Å; A234-S238 WeakPolarHBondContact O-CB 3.46Å; A234-S238 PolarHBondContact O-N 3.25Å; A234-S238 PolarHBondContact O-OG 2.91Å; V235-S238 WeakPolarHBondContact O-CB 3.34Å; V235-S238 PolarHBondContact O-N 2.88Å; V236-S238 VanDerWaalsContact C-N 3.29Å; V236-S238 PolarHBondContact O-N 3.45Å; S238-V242 WeakPolarHBondContact O-CB 3.42Å; S238-V242 VanDerWaalsContact O-CG2 3.23Å; S238-V242 WeakPolarHBondContact O-CG2 3.34Å; S238-V242 PolarHBondContact O-N 3.32Å
239A81.6Confident91.6Very high23 Ų2365.2 Ų65.219%0.1933%0.334CS..Hα-helixtrans-64.4-46178.400000110.8D237 I243D237-A239 VanDerWaalsContact C-N 3.27Å; D237-A239 PolarHBondContact O-N 3.5Å; A239-I243 WeakPolarHBondContact O-CB 3.47Å; A239-I243 WeakPolarHBondContact O-CD1 3.45Å; A239-I243 WeakPolarHBondContact O-CG1 3.39Å; A239-I243 PolarHBondContact O-N 2.92Å
240Y86.6Confident91.8Very high129 Ų12961.7 Ų61.751%0.50632%0.319SS..Hα-helixtrans-66.6-41.4179.5-57.7-66.9000111.7D196 V236 D237 I243 K244D196-Y240 PolarHBondContact OD1-OH 2.96Å; D196-Y240 VanDerWaalsContact OD1-OH 3.1Å; V236-Y240 HydrophobicContact CG1-CE2 4.43Å; D237-Y240 PolarHBondContact O-N 3.15Å; Y240-I243 PolarHBondContact O-N 3.41Å; Y240-K244 WeakPolarHBondContact O-CB 3.5Å; Y240-K244 PolarHBondContact O-N 3.44Å
241E92.3Very high91.9Very high117 Ų11767.8 Ų67.855%0.54734%0.336SS..Hα-helixtrans-64-46.3177.6-175171.4-161.700112D237 I243 K244 L245D237-E241 PolarHBondContact O-N 2.7Å; E241-I243 VanDerWaalsContact C-N 3.31Å; E241-I243 PolarHBondContact O-N 2.74Å; E241-K244 WeakPolarHBondContact O-CB 3.35Å; E241-K244 PolarHBondContact O-N 3.22Å; E241-K244 VanDerWaalsContact O-N 3.16Å; E241-L245 HydrophobicContact CG-CD1 3.96Å; E241-L245 WeakPolarHBondContact O-CG 3.44Å; E241-L245 PolarHBondContact O-N 2.91Å
242V92.4Very high92.1Very high56 Ų5670.1 Ų70.134%0.33936%0.355SS..Hα-helixtrans-61.2-41.7175.7171.80000110.9S238 L245 K246 T249S238-V242 WeakPolarHBondContact O-CB 3.42Å; S238-V242 VanDerWaalsContact O-CG2 3.23Å; S238-V242 WeakPolarHBondContact O-CG2 3.34Å; S238-V242 PolarHBondContact O-N 3.32Å; V242-L245 PolarHBondContact O-N 2.82Å; V242-K246 HydrophobicContact CG1-CB 4.49Å; V242-K246 VanDerWaalsContact O-CB 3.25Å; V242-K246 WeakPolarHBondContact O-CB 3.32Å; V242-K246 PolarHBondContact O-N 2.65Å; V242-T249 HydrophobicContact CB-CG2 4.3Å; V242-T249 HydrophobicContact CG1-CG2 3.91Å
243I88.8Confident92.4Very high79 Ų7969.5 Ų69.541%0.40535%0.353SS..Hα-helixtrans-64.1-41.8176.2-69166.2000110.7A239 Y240 E241 L245 G247 T249A239-I243 WeakPolarHBondContact O-CB 3.47Å; A239-I243 WeakPolarHBondContact O-CD1 3.45Å; A239-I243 WeakPolarHBondContact O-CG1 3.39Å; A239-I243 PolarHBondContact O-N 2.92Å; Y240-I243 PolarHBondContact O-N 3.41Å; E241-I243 VanDerWaalsContact C-N 3.31Å; E241-I243 PolarHBondContact O-N 2.74Å; I243-L245 VanDerWaalsContact C-N 3.32Å; I243-L245 PolarHBondContact O-N 2.92Å; I243-G247 WeakPolarHBondContact O-CA 3.5Å; I243-G247 PolarHBondContact O-N 3.07Å; I243-T249 HydrophobicContact CD1-CG2 4.43Å; I243-T249 HydrophobicContact CG1-CG2 3.99Å
244K92.4Very high92.7Very high187 Ų18763.5 Ų63.581%0.81333%0.326SS*.Hα-helixtrans-60.8-40.2177.1-178.7-176.6176-174.60112Y240 E241Y240-K244 WeakPolarHBondContact O-CB 3.5Å; Y240-K244 PolarHBondContact O-N 3.44Å; E241-K244 WeakPolarHBondContact O-CB 3.35Å; E241-K244 PolarHBondContact O-N 3.22Å; E241-K244 VanDerWaalsContact O-N 3.16Å
245L95.3Very high92.9Very high139 Ų13965.9 Ų65.973%0.72833%0.334SS*.Hα-helixtrans-83.8-40.4-176.6-66.4172.5000113.5E241 V242 I243E241-L245 HydrophobicContact CG-CD1 3.96Å; E241-L245 WeakPolarHBondContact O-CG 3.44Å; E241-L245 PolarHBondContact O-N 2.91Å; V242-L245 PolarHBondContact O-N 2.82Å; I243-L245 VanDerWaalsContact C-N 3.32Å; I243-L245 PolarHBondContact O-N 2.92Å
246K95.4Very high93.2Very high77 Ų7766.4 Ų66.434%0.33534%0.337SS..Hα-helixtrans-106.4-18.4-171.7-172.6178.3178-176.50113.7V242 Y248 N250 W251V242-K246 HydrophobicContact CG1-CB 4.49Å; V242-K246 VanDerWaalsContact O-CB 3.25Å; V242-K246 WeakPolarHBondContact O-CB 3.32Å; V242-K246 PolarHBondContact O-N 2.65Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 HydrophobicContact CD-CE2 4.29Å; K246-Y248 VanDerWaalsContact CE-CE2 3.45Å; K246-Y248 HydrophobicContact CG-CE1 4.46Å; K246-Y248 HydrophobicContact CG-CE2 4.43Å; K246-Y248 WeakPolarHBondContact O-CE1 3.47Å; K246-N250 PolarHBondContact NZ-OD1 2.78Å; K246-W251 VanDerWaalsContact NZ-NE1 3.11Å
247G91.8Very high93.6Very high38 Ų3865.3 Ų65.339%0.39233%0.331SS..SBendtrans85-8.3-173.900000115.1R100 I243R100-G247 PolarHBondContact NH1-O 3.24Å; I243-G247 WeakPolarHBondContact O-CA 3.5Å; I243-G247 PolarHBondContact O-N 3.07Å
248Y91.6Very high93.9Very high69 Ų6962.5 Ų62.527%0.27132%0.316SS..SBendtrans-169.8162.4179.853.8-88.6000112.3M31 K246 N250M31-Y248 HydrophobicContact CB-CD2 3.73Å; M31-Y248 HydrophobicContact CB-CE2 4.04Å; M31-Y248 HydrophobicContact CB-CG 4.34Å; M31-Y248 HydrophobicContact CE-CE1 4.21Å; M31-Y248 HydrophobicContact CG-CD1 4.35Å; M31-Y248 HydrophobicContact CG-CD2 3.71Å; M31-Y248 HydrophobicContact CG-CE1 4.48Å; M31-Y248 HydrophobicContact CG-CE2 3.83Å; M31-Y248 HydrophobicContact CG-CG 3.99Å; M31-Y248 HydrophobicContact SD-CE2 4.06Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 HydrophobicContact CD-CE2 4.29Å; K246-Y248 VanDerWaalsContact CE-CE2 3.45Å; K246-Y248 HydrophobicContact CG-CE1 4.46Å; K246-Y248 HydrophobicContact CG-CE2 4.43Å; K246-Y248 WeakPolarHBondContact O-CE1 3.47Å; Y248-N250 HydrophobicContact CD2-CB 4.27Å; Y248-N250 HydrophobicContact CE2-CB 4.47Å
249T91.9Very high94.5Very high40 Ų4063.1 Ų63.125%0.24532%0.317CS..  trans-104.3142.4166.956.60000110.5V32 V242 I243V32-T249 VanDerWaalsContact CG2-O 3.29Å; V32-T249 WeakPolarHBondContact CG2-O 3.36Å; V242-T249 HydrophobicContact CB-CG2 4.3Å; V242-T249 HydrophobicContact CG1-CG2 3.91Å; I243-T249 HydrophobicContact CD1-CG2 4.43Å; I243-T249 HydrophobicContact CG1-CG2 3.99Å
250N96.4Very high95.3Very high11 Ų1162 Ų626%0.05931%0.308CS..  trans-153-52.417566.4-29.9000113.9M31 A35 K246 Y248 I253 G254M31-N250 HydrophobicContact CB-CB 4Å; M31-N250 VanDerWaalsContact O-CB 3.29Å; M31-N250 WeakPolarHBondContact O-CB 3.38Å; A35-N250 HydrophobicContact CB-CB 3.88Å; A35-N250 VanDerWaalsContact CB-O 3.23Å; A35-N250 WeakPolarHBondContact CB-O 3.23Å; K246-N250 PolarHBondContact NZ-OD1 2.78Å; Y248-N250 HydrophobicContact CD2-CB 4.27Å; Y248-N250 HydrophobicContact CE2-CB 4.47Å; N250-I253 WeakPolarHBondContact O-CG2 3.48Å; N250-I253 PolarHBondContact O-N 2.86Å; N250-G254 PolarHBondContact O-N 2.64Å
251W98.3Very high95.9Very high159 Ų15955.9 Ų55.960%0.60228%0.284SS*.Hα-helixtrans-63.9-52.7-169-58.1137.7000113.5A35 K246 I253 G254 L255A35-W251 HydrophobicContact CB-CE3 3.97Å; A35-W251 HydrophobicContact CB-CZ3 4.21Å; K246-W251 VanDerWaalsContact NZ-NE1 3.11Å; W251-I253 VanDerWaalsContact C-N 3.32Å; W251-I253 PolarHBondContact O-N 3.08Å; W251-G254 PolarHBondContact O-N 2.88Å; W251-L255 WeakPolarHBondContact O-CG 3.32Å; W251-L255 PolarHBondContact O-N 3.17Å
252A98.2Very high96.2Very high49 Ų4951.9 Ų51.941%0.40527%0.265SS..Hα-helixtrans-64.2-38-177.100000112.2L166 S256L166-A252 HydrophobicContact CD1-CB 3.65Å; L166-A252 HydrophobicContact CD2-CB 4.37Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 3Å
253I98.1Very high96.5Very high17 Ų1749.2 Ų49.29%0.08725%0.249CC..Hα-helixtrans-70.8-38.5175.8-174.760.4000112.1V32 V137 L166 N250 W251 L255 S256 V257V32-I253 HydrophobicContact CG1-CG1 4.35Å; V32-I253 HydrophobicContact CG1-CG2 3.98Å; V32-I253 HydrophobicContact CG2-CG2 4.13Å; V137-I253 HydrophobicContact CG1-CD1 4Å; V137-I253 HydrophobicContact CG1-CG1 3.63Å; L166-I253 HydrophobicContact CD2-CB 3.98Å; L166-I253 HydrophobicContact CD2-CD1 4.25Å; N250-I253 WeakPolarHBondContact O-CG2 3.48Å; N250-I253 PolarHBondContact O-N 2.86Å; W251-I253 VanDerWaalsContact C-N 3.32Å; W251-I253 PolarHBondContact O-N 3.08Å; I253-L255 PolarHBondContact O-N 2.81Å; I253-S256 WeakPolarHBondContact O-CB 3.48Å; I253-S256 PolarHBondContact O-N 3.45Å; I253-V257 HydrophobicContact CD1-CG2 4.2Å; I253-V257 HydrophobicContact CG1-CG2 4.38Å; I253-V257 WeakPolarHBondContact O-CG2 3.33Å; I253-V257 PolarHBondContact O-N 2.99Å
254G98.8Very high97Very high0 Ų045.5 Ų45.50%023%0.23CC..Hα-helixtrans-60.4-43.4174.100000112.7S39 N250 W251 V257 A258S39-G254 WeakPolarHBondContact CB-O 3.35Å; N250-G254 PolarHBondContact O-N 2.64Å; W251-G254 PolarHBondContact O-N 2.88Å; G254-V257 PolarHBondContact O-N 3.24Å; G254-A258 WeakPolarHBondContact O-CB 3.46Å; G254-A258 PolarHBondContact O-N 3Å
255L98.9Very high97.2Very high89 Ų8937.2 Ų37.247%0.46619%0.194SC..Hα-helixtrans-65.1-40.3174.6-68.2171.6000112.4W251 I253 A258 D259W251-L255 WeakPolarHBondContact O-CG 3.32Å; W251-L255 PolarHBondContact O-N 3.17Å; I253-L255 PolarHBondContact O-N 2.81Å; L255-A258 PolarHBondContact O-N 3.46Å; L255-D259 PolarHBondContact O-N 3Å; L255-D259 VanDerWaalsContact O-N 3.07Å
256S98.8Very high97.4Very high10 Ų1035.9 Ų35.97%0.0718%0.183CC..Hα-helixtrans-61.7-46.3175.5-179.80000111.4N165 A252 I253 A258 D259 L260N165-S256 PolarHBondContact ND2-OG 2.89Å; A252-S256 WeakPolarHBondContact O-CB 3.47Å; A252-S256 PolarHBondContact O-N 3Å; I253-S256 WeakPolarHBondContact O-CB 3.48Å; I253-S256 PolarHBondContact O-N 3.45Å; S256-A258 PolarHBondContact O-N 3.44Å; S256-D259 WeakPolarHBondContact O-CB 3.29Å; S256-D259 PolarHBondContact O-N 2.86Å; S256-L260 WeakPolarHBondContact O-CG 3.43Å; S256-L260 PolarHBondContact O-N 2.9Å; S256-L260 VanDerWaalsContact O-N 3.13Å
257V98.9Very high97.5Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-66.1-38.9178.2171.80000111.9C36 V94 V137 I253 G254 D259 L260 T261C36-V257 HydrophobicContact CB-CG1 4.29Å; V94-V257 HydrophobicContact CG1-CG1 3.87Å; V94-V257 HydrophobicContact CG2-CG1 3.79Å; V137-V257 HydrophobicContact CG1-CG2 4.36Å; V137-V257 HydrophobicContact CG2-CG2 3.59Å; I253-V257 HydrophobicContact CD1-CG2 4.2Å; I253-V257 HydrophobicContact CG1-CG2 4.38Å; I253-V257 WeakPolarHBondContact O-CG2 3.33Å; I253-V257 PolarHBondContact O-N 2.99Å; G254-V257 PolarHBondContact O-N 3.24Å; V257-D259 VanDerWaalsContact C-N 3.29Å; V257-D259 PolarHBondContact O-N 3.22Å; V257-L260 PolarHBondContact O-N 2.84Å; V257-T261 WeakPolarHBondContact O-CB 3.21Å; V257-T261 PolarHBondContact O-N 3.05Å; V257-T261 PolarHBondContact O-OG1 2.89Å
258A98.9Very high97.9Very high0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-64.3-33.917500000112.3L45 G254 L255 S256 T261 E262L45-A258 HydrophobicContact CD1-CB 4.43Å; L45-A258 WeakPolarHBondContact CD1-O 3.37Å; G254-A258 WeakPolarHBondContact O-CB 3.46Å; G254-A258 PolarHBondContact O-N 3Å; L255-A258 PolarHBondContact O-N 3.46Å; S256-A258 PolarHBondContact O-N 3.44Å; A258-T261 PolarHBondContact O-N 3.16Å; A258-E262 WeakPolarHBondContact O-CB 3.5Å; A258-E262 PolarHBondContact O-N 3.24Å
259D98.9Very high98.2Very high36 Ų3637.9 Ų37.919%0.19320%0.196CC..Hα-helixtrans-67.6-38.9174.4-175.149.8000113.1L255 S256 V257 S263 R270 H272L255-D259 PolarHBondContact O-N 3Å; L255-D259 VanDerWaalsContact O-N 3.07Å; S256-D259 WeakPolarHBondContact O-CB 3.29Å; S256-D259 PolarHBondContact O-N 2.86Å; V257-D259 VanDerWaalsContact C-N 3.29Å; V257-D259 PolarHBondContact O-N 3.22Å; D259-S263 PolarHBondContact O-N 3.47Å; D259-S263 PolarHBondContact O-OG 3.33Å; D259-S263 VanDerWaalsContact O-OG 3.06Å; D259-R270 PolarHBondContact O-NH2 2.88Å; D259-R270 IonicContact OD1-CZ 3.37Å; D259-R270 IonicContact OD1-NH1 3.56Å; D259-R270 PolarHBondContact OD1-NH1 3.14Å; D259-R270 IonicContact OD1-NH2 2.66Å; D259-R270 PolarHBondContact OD1-NH2 2.89Å; D259-H272 IonicContact OD2-CE1 3.56Å; D259-H272 PolarHBondContact OD2-CE1 3.49Å; D259-H272 VanDerWaalsContact OD2-CE1 3.22Å; D259-H272 IonicContact OD2-ND1 2.73Å
260L98.9Very high98.5Very high1 Ų139.4 Ų39.41%0.00520%0.197CC..Hα-helixtrans-64.9-48.1171.5-61.4179.6000111.4I135 N165 S256 V257 E262 S263 I264 H272 V274 L296I135-L260 HydrophobicContact CD1-CB 4.36Å; I135-L260 HydrophobicContact CG2-CD1 4.45Å; N165-L260 HydrophobicContact CB-CD2 4.47Å; S256-L260 WeakPolarHBondContact O-CG 3.43Å; S256-L260 PolarHBondContact O-N 2.9Å; S256-L260 VanDerWaalsContact O-N 3.13Å; V257-L260 PolarHBondContact O-N 2.84Å; L260-E262 VanDerWaalsContact C-N 3.3Å; L260-E262 PolarHBondContact O-N 2.81Å; L260-S263 WeakPolarHBondContact O-CB 3.23Å; L260-S263 PolarHBondContact O-N 3.12Å; L260-S263 VanDerWaalsContact O-N 3.17Å; L260-I264 PolarHBondContact O-N 3.16Å; L260-H272 HydrophobicContact CD2-CB 3.73Å; L260-V274 HydrophobicContact CD1-CG1 3.94Å; L260-V274 HydrophobicContact CD2-CG1 3.53Å; L260-V274 HydrophobicContact CG-CG1 4.4Å; L260-L296 HydrophobicContact CD2-CD1 3.79Å
261T98.8Very high98.6Very high0 Ų042.6 Ų42.60%021%0.213CC..Hα-helixtrans-57-45.2179.4-59.50000110.7V24 V40 L45 I92 V257 A258 S263 I264 I265V24-T261 HydrophobicContact CG2-CG2 4.24Å; V40-T261 HydrophobicContact CG2-CG2 4.25Å; L45-T261 HydrophobicContact CB-CG2 4.45Å; L45-T261 HydrophobicContact CD1-CG2 3.96Å; I92-T261 HydrophobicContact CD1-CG2 3.85Å; V257-T261 WeakPolarHBondContact O-CB 3.21Å; V257-T261 PolarHBondContact O-N 3.05Å; V257-T261 PolarHBondContact O-OG1 2.89Å; A258-T261 PolarHBondContact O-N 3.16Å; T261-S263 PolarHBondContact O-N 3.03Å; T261-I264 PolarHBondContact O-N 2.95Å; T261-I265 HydrophobicContact CG2-CD1 3.74Å; T261-I265 HydrophobicContact CG2-CG1 4.28Å; T261-I265 WeakPolarHBondContact O-CG1 3.42Å; T261-I265 PolarHBondContact O-N 2.74Å
262E98.8Very high98.7Very high32 Ų3235.4 Ų35.415%0.1519%0.186CC..Hα-helixtrans-60.1-44.3178.1-177.2177.9-137.600112.2R43 L45 A258 L260 I264 I265 K266 M268 R270R43-E262 IonicContact NH1-OE2 3.59Å; L45-E262 HydrophobicContact CD1-CB 3.98Å; L45-E262 HydrophobicContact CD2-CB 3.76Å; L45-E262 HydrophobicContact CD2-CG 3.78Å; A258-E262 WeakPolarHBondContact O-CB 3.5Å; A258-E262 PolarHBondContact O-N 3.24Å; L260-E262 VanDerWaalsContact C-N 3.3Å; L260-E262 PolarHBondContact O-N 2.81Å; E262-I264 VanDerWaalsContact C-N 3.26Å; E262-I264 PolarHBondContact O-N 2.78Å; E262-I265 PolarHBondContact O-N 3.34Å; E262-K266 HydrophobicContact CG-CD 3.73Å; E262-K266 HydrophobicContact CG-CG 4.29Å; E262-K266 VanDerWaalsContact O-CB 3.31Å; E262-K266 WeakPolarHBondContact O-CB 3.44Å; E262-K266 PolarHBondContact O-N 3.18Å; E262-K266 IonicContact OE1-NZ 2.71Å; E262-K266 PolarHBondContact OE1-NZ 3.38Å; E262-M268 HydrophobicContact CG-SD 3.9Å; E262-R270 IonicContact OE2-CZ 3.81Å; E262-R270 IonicContact OE2-NH1 3.71Å; E262-R270 IonicContact OE2-NH2 3.6Å; E262-R270 PolarHBondContact OE2-NH2 3.37Å
263S98.8Very high98.7Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-59.9-38.3179.6-600000112.3D259 L260 T261 N267 M268 R270 H272D259-S263 PolarHBondContact O-N 3.47Å; D259-S263 PolarHBondContact O-OG 3.33Å; D259-S263 VanDerWaalsContact O-OG 3.06Å; L260-S263 WeakPolarHBondContact O-CB 3.23Å; L260-S263 PolarHBondContact O-N 3.12Å; L260-S263 VanDerWaalsContact O-N 3.17Å; T261-S263 PolarHBondContact O-N 3.03Å; S263-N267 PolarHBondContact O-N 2.92Å; S263-M268 PolarHBondContact O-N 2.71Å; S263-R270 PolarHBondContact OG-NE 3.4Å; S263-R270 PolarHBondContact OG-NH2 3.02Å; S263-R270 VanDerWaalsContact OG-NH2 3.09Å; S263-H272 PolarHBondContact OG-NE2 2.83Å
264I98.7Very high98.7Very high1 Ų132.4 Ų32.41%0.00516%0.164CC..Hα-helixtrans-78.1-47.2-179.3-62.9163.3000111.1R91 I92 T133 I135 I160 L260 T261 E262 N267 L296 N297 S298R91-I264 PolarHBondContact NH2-O 3.07Å; R91-I264 VanDerWaalsContact NH2-O 3.17Å; I92-I264 HydrophobicContact CD1-CB 3.74Å; I92-I264 HydrophobicContact CD1-CD1 4.37Å; I92-I264 HydrophobicContact CD1-CG2 3.61Å; I92-I264 HydrophobicContact CG1-CG2 4.1Å; T133-I264 HydrophobicContact CG2-CD1 4.21Å; I135-I264 HydrophobicContact CD1-CD1 4.01Å; I135-I264 HydrophobicContact CG1-CD1 4.47Å; I160-I264 HydrophobicContact CD1-CD1 3.95Å; L260-I264 PolarHBondContact O-N 3.16Å; T261-I264 PolarHBondContact O-N 2.95Å; E262-I264 VanDerWaalsContact C-N 3.26Å; E262-I264 PolarHBondContact O-N 2.78Å; I264-N267 PolarHBondContact O-N 3.39Å; I264-L296 HydrophobicContact CG1-CB 4.23Å; I264-N297 WeakPolarHBondContact CA-O 3.32Å; I264-N297 WeakPolarHBondContact CG2-O 3.32Å; I264-S298 VanDerWaalsContact O-CA 3.3Å; I264-S298 WeakPolarHBondContact O-CA 3.32Å
265I98.1Very high98.7Very high14 Ų1432.4 Ų32.47%0.07216%0.164CC..Hα-helixtrans-65.7-45.6-178.3-70-174.1000111.1N22 V24 L45 R91 I92 T261 E262 N267N22-I265 HydrophobicContact CB-CG2 4.24Å; V24-I265 HydrophobicContact CG2-CD1 3.65Å; L45-I265 HydrophobicContact CB-CD1 4.31Å; L45-I265 WeakPolarHBondContact O-CD1 3.35Å; R91-I265 PolarHBondContact NH2-O 2.93Å; I92-I265 HydrophobicContact CD1-CD1 4.01Å; I92-I265 HydrophobicContact CD1-CG1 3.51Å; I92-I265 HydrophobicContact CG1-CG1 4.32Å; T261-I265 HydrophobicContact CG2-CD1 3.74Å; T261-I265 HydrophobicContact CG2-CG1 4.28Å; T261-I265 WeakPolarHBondContact O-CG1 3.42Å; T261-I265 PolarHBondContact O-N 2.74Å; E262-I265 PolarHBondContact O-N 3.34Å; I265-N267 VanDerWaalsContact C-N 3.27Å; I265-N267 PolarHBondContact O-N 3.24Å
266K98.5Very high98.7Very high110 Ų11028.5 Ų28.548%0.47814%0.144SC..THydrogen-bonded Turntrans-85.65.2-178.7-60.3-175.8-176.3169.90113.5E262 M268E262-K266 HydrophobicContact CG-CD 3.73Å; E262-K266 HydrophobicContact CG-CG 4.29Å; E262-K266 VanDerWaalsContact O-CB 3.31Å; E262-K266 WeakPolarHBondContact O-CB 3.44Å; E262-K266 PolarHBondContact O-N 3.18Å; E262-K266 IonicContact OE1-NZ 2.71Å; E262-K266 PolarHBondContact OE1-NZ 3.38Å; K266-M268 VanDerWaalsContact C-N 3.29Å; K266-M268 HydrophobicContact CB-CG 3.68Å; K266-M268 HydrophobicContact CB-SD 4.22Å; K266-M268 PolarHBondContact O-N 2.73Å
267N98.4Very high98.7Very high84 Ų8428.5 Ų28.545%0.44914%0.143SC..THydrogen-bonded Turntrans53.542.5177.6-167.639.5000113.3S263 I264 I265 S269 N297 S298S263-N267 PolarHBondContact O-N 2.92Å; I264-N267 PolarHBondContact O-N 3.39Å; I265-N267 VanDerWaalsContact C-N 3.27Å; I265-N267 PolarHBondContact O-N 3.24Å; N267-S269 PolarHBondContact O-N 2.9Å; N267-N297 VanDerWaalsContact OD1-CB 3.3Å; N267-N297 WeakPolarHBondContact OD1-CB 3.37Å; N267-S298 PolarHBondContact OD1-N 3.24Å; N267-S298 PolarHBondContact OD1-OG 2.75Å
268M98.6Very high98.6Very high81 Ų8128.5 Ų28.540%0.39914%0.143SC..  trans-78.6-18.9-165.1-59.3-178.568.100114.3E262 S263 K266 R270E262-M268 HydrophobicContact CG-SD 3.9Å; S263-M268 PolarHBondContact O-N 2.71Å; K266-M268 VanDerWaalsContact C-N 3.29Å; K266-M268 HydrophobicContact CB-CG 3.68Å; K266-M268 HydrophobicContact CB-SD 4.22Å; K266-M268 PolarHBondContact O-N 2.73Å; M268-R270 HydrophobicContact CB-CG 3.9Å; M268-R270 HydrophobicContact CE-CG 4.16Å; M268-R270 PolarHBondContact O-N 2.98Å; M268-R270 PolarHBondContact SD-NE 3.14Å
269S98.5Very high98.5Very high61 Ų6132.4 Ų32.443%0.42716%0.16SC..  trans54.737.5-172.4-56.10000112.8N267 L296N267-S269 PolarHBondContact O-N 2.9Å; S269-L296 WeakPolarHBondContact CA-O 3.39Å; S269-L296 PolarHBondContact N-O 3.41Å
270R98.6Very high98.4Very high73 Ų7336.9 Ų36.928%0.27518%0.184SC..EExtended strand (participates in β ladder)trans-76.7150.4172.8-73.2-166.1-68.3177.9-5.4110.4D259 E262 S263 M268 H272 V295 L296D259-R270 PolarHBondContact O-NH2 2.88Å; D259-R270 IonicContact OD1-CZ 3.37Å; D259-R270 IonicContact OD1-NH1 3.56Å; D259-R270 PolarHBondContact OD1-NH1 3.14Å; D259-R270 IonicContact OD1-NH2 2.66Å; D259-R270 PolarHBondContact OD1-NH2 2.89Å; E262-R270 IonicContact OE2-CZ 3.81Å; E262-R270 IonicContact OE2-NH1 3.71Å; E262-R270 IonicContact OE2-NH2 3.6Å; E262-R270 PolarHBondContact OE2-NH2 3.37Å; S263-R270 PolarHBondContact OG-NE 3.4Å; S263-R270 PolarHBondContact OG-NH2 3.02Å; S263-R270 VanDerWaalsContact OG-NH2 3.09Å; M268-R270 HydrophobicContact CB-CG 3.9Å; M268-R270 HydrophobicContact CE-CG 4.16Å; M268-R270 PolarHBondContact O-N 2.98Å; M268-R270 PolarHBondContact SD-NE 3.14Å; R270-H272 WeakPolarHBondContact CB-NE2 3.29Å; R270-H272 PolarHBondContact O-CD2 3.4Å; R270-V295 WeakPolarHBondContact O-CA 3.41Å; R270-L296 PolarHBondContact N-O 3.41Å; R270-L296 PolarHBondContact O-N 2.8Å
271I98.8Very high98.3Very high77 Ų7739.1 Ų39.140%0.39520%0.195SC..EExtended strand (participates in β ladder)trans-93.9128.1179.2-59.5167.3000109.8W189 P293 C294 V295 I305W189-I271 HydrophobicContact CH2-CB 4.27Å; W189-I271 HydrophobicContact CH2-CG2 3.67Å; W189-I271 HydrophobicContact CZ2-CG2 4.45Å; W189-I271 HydrophobicContact CZ3-CG2 4.14Å; I271-P293 HydrophobicContact CG2-CB 3.56Å; I271-C294 CarbonylContact C-O 3.52Å; I271-C294 VanDerWaalsContact CA-O 3.29Å; I271-C294 WeakPolarHBondContact CA-O 3.31Å; I271-V295 HydrophobicContact CG1-CG2 3.98Å; I271-I305 HydrophobicContact CD1-CD1 3.94Å; I271-I305 HydrophobicContact CD1-CG1 4.14Å; I271-I305 HydrophobicContact CG1-CD1 4.33Å; I271-I305 HydrophobicContact CG1-CG1 4.37Å; I271-I305 HydrophobicContact CG2-CG1 3.97Å
272H98.9Very high98.3Very high8 Ų841.2 Ų41.24%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-135139.7179.9-61.9-89.3000111.1D259 L260 S263 R270 V274 P293 C294 L296D259-H272 IonicContact OD2-CE1 3.56Å; D259-H272 PolarHBondContact OD2-CE1 3.49Å; D259-H272 VanDerWaalsContact OD2-CE1 3.22Å; D259-H272 IonicContact OD2-ND1 2.73Å; L260-H272 HydrophobicContact CD2-CB 3.73Å; S263-H272 PolarHBondContact OG-NE2 2.83Å; R270-H272 WeakPolarHBondContact CB-NE2 3.29Å; R270-H272 PolarHBondContact O-CD2 3.4Å; H272-V274 HydrophobicContact CB-CG1 3.89Å; H272-V274 PolarHBondContact O-N 2.84Å; H272-V274 VanDerWaalsContact O-N 3.14Å; H272-P293 CarbonylContact O-C 3.47Å; H272-P293 WeakPolarHBondContact O-CA 3.38Å; H272-C294 PolarHBondContact N-O 3.42Å; H272-C294 PolarHBondContact O-N 3.39Å; H272-L296 HydrophobicContact CB-CD1 4.06Å; H272-L296 HydrophobicContact CB-CG 4.42Å
273P98.7Very high98.1Very high4 Ų442.7 Ų42.73%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-81.594.5172.129.7-18.4000108.7T164 N165 S168 W189 L191 L292T164-P273 CarbonylContact C-O 3.57Å; N165-P273 WeakPolarHBondContact CA-O 3.41Å; N165-P273 PolarHBondContact N-O 2.94Å; N165-P273 WeakPolarHBondContact OD1-CD 3.44Å; S168-P273 VanDerWaalsContact OG-CG 3.22Å; S168-P273 WeakPolarHBondContact OG-CG 3.34Å; W189-P273 HydrophobicContact CE3-CB 3.98Å; W189-P273 HydrophobicContact CE3-CG 3.79Å; W189-P273 HydrophobicContact CZ3-CB 4.28Å; W189-P273 HydrophobicContact CZ3-CG 3.92Å; L191-P273 HydrophobicContact CD2-CB 3.91Å; P273-L292 WeakPolarHBondContact CA-O 3.28Å
274V98.9Very high98.1Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-123.5154.1-176.3-700000110.5I160 G161 N165 L260 H272 T276 S291 L292 C294 L296I160-V274 HydrophobicContact CG2-CB 3.72Å; I160-V274 HydrophobicContact CG2-CG1 4.18Å; I160-V274 HydrophobicContact CG2-CG2 3.77Å; G161-V274 WeakPolarHBondContact O-CB 3.16Å; N165-V274 HydrophobicContact CB-CG1 4.42Å; L260-V274 HydrophobicContact CD1-CG1 3.94Å; L260-V274 HydrophobicContact CD2-CG1 3.53Å; L260-V274 HydrophobicContact CG-CG1 4.4Å; H272-V274 HydrophobicContact CB-CG1 3.89Å; H272-V274 PolarHBondContact O-N 2.84Å; H272-V274 VanDerWaalsContact O-N 3.14Å; V274-T276 PolarHBondContact O-N 3.14Å; V274-S291 WeakPolarHBondContact O-CA 3.5Å; V274-L292 PolarHBondContact N-O 3.37Å; V274-L292 PolarHBondContact O-N 3.24Å; V274-C294 HydrophobicContact CG2-CB 3.72Å; V274-L296 HydrophobicContact CG1-CD1 4.3Å; V274-L296 HydrophobicContact CG2-CD1 4.38Å; V274-L296 HydrophobicContact CG2-CD2 4.17Å
275S98.9Very high98Very high0 Ų045.1 Ų45.10%025%0.25CC..EExtended strand (participates in β ladder)trans-67.6121.5179-162.20000110.1D142 G161 L290D142-S275 WeakPolarHBondContact OD1-CB 3.38Å; D142-S275 PolarHBondContact OD1-OG 2.69Å; G161-S275 PolarHBondContact N-O 3.25Å; G161-S275 VanDerWaalsContact N-O 3.08Å; G161-S275 PolarHBondContact O-N 3.4Å; S275-L290 WeakPolarHBondContact CA-O 3.23Å
276T98.7Very high97.9Very high6 Ų648.8 Ų48.84%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-140.6168.1-179.2-162.60000110.5V274 V278 F289 L290 L292 V304V274-T276 PolarHBondContact O-N 3.14Å; T276-V278 HydrophobicContact CG2-CG1 4.16Å; T276-V278 WeakPolarHBondContact O-CG1 3.41Å; T276-V278 PolarHBondContact O-N 3.06Å; T276-F289 VanDerWaalsContact C-CD1 3.45Å; T276-F289 VanDerWaalsContact O-CA 3.24Å; T276-F289 WeakPolarHBondContact O-CA 3.36Å; T276-L290 PolarHBondContact N-O 3.43Å; T276-L290 PolarHBondContact O-N 2.87Å; T276-L290 VanDerWaalsContact O-N 3.11Å; T276-L292 HydrophobicContact CG2-CB 4.35Å; T276-V304 HydrophobicContact CG2-CG2 4.12Å
277M98.1Very high97.8Very high11 Ų1146.4 Ų46.45%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-71.1116.6176.7175.786.3-80.700110.6W149 K156 K279 E287 V288 F289W149-M277 HydrophobicContact CH2-SD 4.36Å; W149-M277 HydrophobicContact CZ3-SD 4.21Å; K156-M277 HydrophobicContact CB-CB 4.41Å; K156-M277 HydrophobicContact CD-CB 4.01Å; K156-M277 HydrophobicContact CD-CG 3.95Å; M277-K279 HydrophobicContact CE-CB 4.09Å; M277-K279 HydrophobicContact CG-CB 4.46Å; M277-K279 HydrophobicContact SD-CB 4.46Å; M277-E287 HydrophobicContact CE-CB 4.05Å; M277-E287 HydrophobicContact SD-CB 4.23Å; M277-E287 HydrophobicContact SD-CG 4.41Å; M277-V288 WeakPolarHBondContact CE-O 3.35Å; M277-F289 HydrophobicContact CB-CD2 4.46Å; M277-F289 HydrophobicContact CB-CE1 4.26Å; M277-F289 HydrophobicContact CB-CE2 3.95Å; M277-F289 HydrophobicContact CB-CZ 3.86Å; M277-F289 HydrophobicContact CE-CD2 3.98Å; M277-F289 HydrophobicContact CE-CE2 4.07Å; M277-F289 HydrophobicContact CG-CE2 4.49Å; M277-F289 HydrophobicContact SD-CD2 4.31Å; M277-F289 HydrophobicContact SD-CE2 3.78Å; M277-F289 HydrophobicContact SD-CZ 4.49Å
278V97.6Very high97.7Very high0 Ų042.5 Ų42.50%024%0.236CC..  trans-107.310.1-174.8-54.20000115.4T276 D280 M281 I284 V288 L290 L292T276-V278 HydrophobicContact CG2-CG1 4.16Å; T276-V278 WeakPolarHBondContact O-CG1 3.41Å; T276-V278 PolarHBondContact O-N 3.06Å; V278-D280 PolarHBondContact O-N 2.92Å; V278-M281 VanDerWaalsContact O-CB 3.29Å; V278-M281 WeakPolarHBondContact O-CB 3.32Å; V278-M281 PolarHBondContact O-N 3.46Å; V278-I284 HydrophobicContact CG2-CD1 3.82Å; V278-I284 HydrophobicContact CG2-CG2 4.16Å; V278-V288 WeakPolarHBondContact CG2-O 3.41Å; V278-V288 PolarHBondContact N-O 3.2Å; V278-V288 VanDerWaalsContact N-O 3.13Å; V278-L290 HydrophobicContact CB-CD1 4.27Å; V278-L290 HydrophobicContact CB-CG 4.31Å; V278-L290 HydrophobicContact CG1-CD1 3.51Å; V278-L290 HydrophobicContact CG1-CG 3.79Å; V278-L290 HydrophobicContact CG2-CD1 4.04Å; V278-L290 HydrophobicContact CG2-CD2 3.92Å; V278-L290 HydrophobicContact CG2-CG 3.61Å; V278-L292 HydrophobicContact CB-CD1 4.09Å; V278-L292 HydrophobicContact CG1-CD1 3.43Å; V278-L292 VanDerWaalsContact CG1-CD1 3.43Å; V278-L292 HydrophobicContact CG1-CG 3.81Å
279K97.4Very high97.7Very high81 Ų8138.6 Ų38.635%0.35222%0.217SC..THydrogen-bonded Turntrans-52.5137.4176-178169.3175.21740111.1M277 M281 G285 E286 E287M277-K279 HydrophobicContact CE-CB 4.09Å; M277-K279 HydrophobicContact CG-CB 4.46Å; M277-K279 HydrophobicContact SD-CB 4.46Å; K279-M281 PolarHBondContact O-N 3.16Å; K279-G285 VanDerWaalsContact CE-O 3.23Å; K279-G285 WeakPolarHBondContact CE-O 3.25Å; K279-G285 WeakPolarHBondContact CG-O 3.42Å; K279-E286 WeakPolarHBondContact CB-O 3.48Å; K279-E287 HydrophobicContact CD-CG 3.71Å
280D96.1Very high97.7Very high130 Ų13035.7 Ų35.770%0.69520%0.197SC*.THydrogen-bonded Turntrans66.410-176.5-50.2-47.6000114.8V278 I284V278-D280 PolarHBondContact O-N 2.92Å; D280-I284 WeakPolarHBondContact CA-O 3.31Å; D280-I284 PolarHBondContact N-O 3.47Å
281M97Very high97.7Very high48 Ų4832.2 Ų32.224%0.23618%0.184CC..SBendtrans-103.1139.9174.7-54.9-177.2-179.400110.8V278 K279 G283 I284 L292 V304V278-M281 VanDerWaalsContact O-CB 3.29Å; V278-M281 WeakPolarHBondContact O-CB 3.32Å; V278-M281 PolarHBondContact O-N 3.46Å; K279-M281 PolarHBondContact O-N 3.16Å; M281-G283 PolarHBondContact O-N 3.16Å; M281-I284 WeakPolarHBondContact O-CB 3.44Å; M281-I284 WeakPolarHBondContact O-CG1 3.26Å; M281-I284 PolarHBondContact O-N 3.22Å; M281-L292 HydrophobicContact SD-CD1 3.7Å; M281-V304 HydrophobicContact CE-CB 4.08Å; M281-V304 HydrophobicContact CE-CG1 4.35Å; M281-V304 HydrophobicContact CE-CG2 4.04Å; M281-V304 HydrophobicContact SD-CB 4.34Å; M281-V304 HydrophobicContact SD-CG1 3.95Å
282Y97.3Very high97.7Very high45 Ų4528.6 Ų28.618%0.17617%0.165CC..THydrogen-bonded Turntrans52.125.7178-51.2-79.7000114.4L292 I305 M307 L309 V314 L317 K318Y282-L292 HydrophobicContact CD2-CD1 4.38Å; Y282-L292 HydrophobicContact CD2-CD2 4.43Å; Y282-L292 HydrophobicContact CE2-CD1 3.84Å; Y282-L292 HydrophobicContact CE2-CD2 3.8Å; Y282-I305 PolarHBondContact OH-O 3.18Å; Y282-M307 WeakPolarHBondContact CE1-O 3.48Å; Y282-M307 PolarHBondContact OH-N 3.33Å; Y282-L309 HydrophobicContact CD1-CD1 4.01Å; Y282-L309 HydrophobicContact CE1-CD1 3.74Å; Y282-L309 HydrophobicContact CE1-CG 4.1Å; Y282-V314 HydrophobicContact CD1-CG2 4.31Å; Y282-L317 HydrophobicContact CD2-CD2 3.59Å; Y282-L317 HydrophobicContact CE2-CD2 4.18Å; Y282-L317 HydrophobicContact CG-CD2 3.82Å; Y282-K318 WeakPolarHBondContact O-CE 3.5Å
283G96.2Very high97.7Very high62 Ų6228.3 Ų28.364%0.63916%0.164SC*.THydrogen-bonded Turntrans77.321.4-17800000115.2M281M281-G283 PolarHBondContact O-N 3.16Å
284I97.4Very high97.7Very high10 Ų1028.1 Ų28.15%0.05116%0.162CC..  trans-91.3112.7173.8-60.6164.4000108.6V278 D280 M281 L290 L317 K318 A321V278-I284 HydrophobicContact CG2-CD1 3.82Å; V278-I284 HydrophobicContact CG2-CG2 4.16Å; D280-I284 WeakPolarHBondContact CA-O 3.31Å; D280-I284 PolarHBondContact N-O 3.47Å; M281-I284 WeakPolarHBondContact O-CB 3.44Å; M281-I284 WeakPolarHBondContact O-CG1 3.26Å; M281-I284 PolarHBondContact O-N 3.22Å; I284-L290 HydrophobicContact CD1-CD2 4.32Å; I284-L317 HydrophobicContact CD1-CD2 4.5Å; I284-L317 HydrophobicContact CD1-CG 4.34Å; I284-K318 HydrophobicContact CG1-CG 4.25Å; I284-A321 HydrophobicContact CD1-CB 3.82Å; I284-A321 HydrophobicContact CG1-CB 4.03Å; I284-A321 HydrophobicContact CG2-CB 3.91Å
285G96.4Very high97.7Very high43 Ų4329.2 Ų29.244%0.44317%0.169SC..  trans-89-20-177.200000115.2K279K279-G285 VanDerWaalsContact CE-O 3.23Å; K279-G285 WeakPolarHBondContact CE-O 3.25Å; K279-G285 WeakPolarHBondContact CG-O 3.42Å
286E96.6Very high97.7Very high90 Ų9029.2 Ų29.242%0.42117%0.169SC..SBendtrans-87.4159.1-172.5-57.9-57.9163.400112.9K279 V288 W325K279-E286 WeakPolarHBondContact CB-O 3.48Å; E286-V288 HydrophobicContact CB-CG2 3.92Å; E286-V288 PolarHBondContact O-N 2.79Å; E286-W325 HydrophobicContact CB-CD2 3.88Å; E286-W325 HydrophobicContact CB-CE3 4.02Å; E286-W325 HydrophobicContact CB-CG 4.2Å; E286-W325 HydrophobicContact CB-CZ3 4.44Å; E286-W325 HydrophobicContact CG-CD2 3.95Å; E286-W325 HydrophobicContact CG-CG 4.07Å; E286-W325 HydrophobicContact CG-CZ2 4.32Å; E286-W325 WeakPolarHBondContact OE2-CZ2 3.39Å
287E96.2Very high97.7Very high61 Ų6130 Ų3029%0.28517%0.173SC..  trans-7764.3177.1-70.2-167.7158.500112.8Y146 K150 M277 K279 Q328Y146-E287 WeakPolarHBondContact CD2-O 3.48Å; Y146-E287 HydrophobicContact CE2-CB 4.37Å; Y146-E287 WeakPolarHBondContact CE2-O 3.46Å; K150-E287 IonicContact NZ-OE2 2.94Å; K150-E287 PolarHBondContact NZ-OE2 2.95Å; M277-E287 HydrophobicContact CE-CB 4.05Å; M277-E287 HydrophobicContact SD-CB 4.23Å; M277-E287 HydrophobicContact SD-CG 4.41Å; K279-E287 HydrophobicContact CD-CG 3.71Å; E287-Q328 PolarHBondContact O-OE1 3.45Å
288V97.2Very high97.7Very high1 Ų131.6 Ų31.61%0.00619%0.185CC..  trans-102.1139180-172.30000112.6M277 V278 E286 L324 W325M277-V288 WeakPolarHBondContact CE-O 3.35Å; V278-V288 WeakPolarHBondContact CG2-O 3.41Å; V278-V288 PolarHBondContact N-O 3.2Å; V278-V288 VanDerWaalsContact N-O 3.13Å; E286-V288 HydrophobicContact CB-CG2 3.92Å; E286-V288 PolarHBondContact O-N 2.79Å; V288-L324 HydrophobicContact CG1-CB 3.58Å; V288-L324 HydrophobicContact CG1-CD1 3.98Å; V288-L324 HydrophobicContact CG1-CG 4.46Å; V288-W325 HydrophobicContact CG2-CB 3.76Å; V288-W325 HydrophobicContact CG2-CE3 4.15Å; V288-W325 HydrophobicContact CG2-CG 4.44Å
289F98.5Very high97.6Very high0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-94.8131.2168.8-82.2-113.9000109.3D142 T145 Y146 W149 T276 M277 L324D142-F289 WeakPolarHBondContact CB-O 3.09Å; D142-F289 WeakPolarHBondContact O-CB 3.23Å; T145-F289 HydrophobicContact CG2-CD1 3.4Å; T145-F289 HydrophobicContact CG2-CE1 3.73Å; T145-F289 HydrophobicContact CG2-CG 4.25Å; Y146-F289 HydrophobicContact CD2-CD2 4.11Å; Y146-F289 HydrophobicContact CD2-CE2 4.31Å; Y146-F289 HydrophobicContact CG-CD2 4.48Å; W149-F289 HydrophobicContact CB-CE2 4.29Å; W149-F289 HydrophobicContact CB-CZ 3.86Å; W149-F289 HydrophobicContact CD2-CE2 4.01Å; W149-F289 HydrophobicContact CD2-CZ 4.02Å; W149-F289 AromaticContact CE3-CE2 3.58Å; W149-F289 HydrophobicContact CE3-CE2 3.58Å; W149-F289 HydrophobicContact CE3-CZ 4.08Å; W149-F289 HydrophobicContact CG-CE2 4.31Å; W149-F289 AromaticContact CG-CZ 3.92Å; W149-F289 HydrophobicContact CG-CZ 3.92Å; W149-F289 HydrophobicContact CZ3-CE2 4.21Å; T276-F289 VanDerWaalsContact C-CD1 3.45Å; T276-F289 VanDerWaalsContact O-CA 3.24Å; T276-F289 WeakPolarHBondContact O-CA 3.36Å; M277-F289 HydrophobicContact CB-CD2 4.46Å; M277-F289 HydrophobicContact CB-CE1 4.26Å; M277-F289 HydrophobicContact CB-CE2 3.95Å; M277-F289 HydrophobicContact CB-CZ 3.86Å; M277-F289 HydrophobicContact CE-CD2 3.98Å; M277-F289 HydrophobicContact CE-CE2 4.07Å; M277-F289 HydrophobicContact CG-CE2 4.49Å; M277-F289 HydrophobicContact SD-CD2 4.31Å; M277-F289 HydrophobicContact SD-CE2 3.78Å; M277-F289 HydrophobicContact SD-CZ 4.49Å; F289-L324 WeakPolarHBondContact O-CD1 3.41Å
290L98.3Very high97.6Very high0 Ų032.3 Ų32.30%019%0.193CC..EExtended strand (participates in β ladder)trans-156.3172.9170.461.374.6000109.6S275 T276 V278 I284 L292 L317 A321 L324S275-L290 WeakPolarHBondContact CA-O 3.23Å; T276-L290 PolarHBondContact N-O 3.43Å; T276-L290 PolarHBondContact O-N 2.87Å; T276-L290 VanDerWaalsContact O-N 3.11Å; V278-L290 HydrophobicContact CB-CD1 4.27Å; V278-L290 HydrophobicContact CB-CG 4.31Å; V278-L290 HydrophobicContact CG1-CD1 3.51Å; V278-L290 HydrophobicContact CG1-CG 3.79Å; V278-L290 HydrophobicContact CG2-CD1 4.04Å; V278-L290 HydrophobicContact CG2-CD2 3.92Å; V278-L290 HydrophobicContact CG2-CG 3.61Å; I284-L290 HydrophobicContact CD1-CD2 4.32Å; L290-L292 HydrophobicContact CD1-CD2 4.32Å; L290-L292 HydrophobicContact CD1-CG 4.08Å; L290-L317 HydrophobicContact CD1-CD1 3.71Å; L290-L317 HydrophobicContact CD1-CG 4.48Å; L290-L317 HydrophobicContact CD2-CD1 4.26Å; L290-A321 HydrophobicContact CD2-CB 3.8Å; L290-L324 HydrophobicContact CB-CD1 3.89Å
291S98.8Very high97.8Very high0 Ų026.7 Ų26.70%016%0.164CC..EExtended strand (participates in β ladder)trans-82.6123.6-172.3-56.80000113.5G163 T164 L191 G192 V274G163-S291 WeakPolarHBondContact CA-OG 3.07Å; T164-S291 PolarHBondContact N-OG 3.18Å; T164-S291 WeakPolarHBondContact OG1-CB 3.31Å; T164-S291 PolarHBondContact OG1-OG 2.66Å; L191-S291 WeakPolarHBondContact CB-O 3.25Å; G192-S291 PolarHBondContact N-O 3.12Å; G192-S291 WeakPolarHBondContact O-CB 3.29Å; G192-S291 PolarHBondContact O-N 2.91Å; G192-S291 PolarHBondContact O-OG 2.82Å; V274-S291 WeakPolarHBondContact O-CA 3.5Å
292L98.8Very high97.8Very high0 Ų026.5 Ų26.50%017%0.173CC..EExtended strand (participates in β ladder)trans-130.4157.1168.2-70.4180000109.3L191 P273 V274 T276 V278 M281 Y282 L290 C294 V304 L317L191-L292 HydrophobicContact CD1-CD2 4.25Å; P273-L292 WeakPolarHBondContact CA-O 3.28Å; V274-L292 PolarHBondContact N-O 3.37Å; V274-L292 PolarHBondContact O-N 3.24Å; T276-L292 HydrophobicContact CG2-CB 4.35Å; V278-L292 HydrophobicContact CB-CD1 4.09Å; V278-L292 HydrophobicContact CG1-CD1 3.43Å; V278-L292 VanDerWaalsContact CG1-CD1 3.43Å; V278-L292 HydrophobicContact CG1-CG 3.81Å; M281-L292 HydrophobicContact SD-CD1 3.7Å; Y282-L292 HydrophobicContact CD2-CD1 4.38Å; Y282-L292 HydrophobicContact CD2-CD2 4.43Å; Y282-L292 HydrophobicContact CE2-CD1 3.84Å; Y282-L292 HydrophobicContact CE2-CD2 3.8Å; L290-L292 HydrophobicContact CD1-CD2 4.32Å; L290-L292 HydrophobicContact CD1-CG 4.08Å; L292-C294 PolarHBondContact O-N 2.77Å; L292-C294 PolarHBondContact O-SG 2.72Å; L292-V304 HydrophobicContact CB-CG1 3.77Å; L292-V304 HydrophobicContact CD1-CG1 3.73Å; L292-V304 HydrophobicContact CG-CG1 4.42Å; L292-L317 HydrophobicContact CD2-CD1 4.48Å; L292-L317 HydrophobicContact CD2-CD2 4.11Å
293P98.7Very high97.8Very high2 Ų227 Ų271%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-66.5119.4174.5-518.9000109.6W189 L191 I271 H272 I305 M307W189-P293 HydrophobicContact CE3-CB 4.3Å; W189-P293 HydrophobicContact CE3-CG 4.39Å; W189-P293 HydrophobicContact CZ3-CB 4.12Å; L191-P293 HydrophobicContact CD2-CG 4Å; I271-P293 HydrophobicContact CG2-CB 3.56Å; H272-P293 CarbonylContact O-C 3.47Å; H272-P293 WeakPolarHBondContact O-CA 3.38Å; P293-I305 HydrophobicContact CB-CB 3.99Å; P293-I305 HydrophobicContact CB-CG1 4.02Å; P293-I305 HydrophobicContact CG-CB 4.32Å; P293-I305 WeakPolarHBondContact O-CB 3.24Å; P293-I305 WeakPolarHBondContact O-CG1 3.31Å; P293-I305 PolarHBondContact O-N 3.27Å; P293-M307 HydrophobicContact CG-CG 3.92Å; P293-M307 HydrophobicContact CG-SD 3.44Å; P293-M307 WeakPolarHBondContact CG-SD 3.35Å
294C98.9Very high97.9Very high0 Ų025.5 Ų25.50%016%0.162CC..EExtended strand (participates in β ladder)trans-120.2137.1-176.6-640000110.3I271 H272 V274 L292 L296 V301 S303I271-C294 CarbonylContact C-O 3.52Å; I271-C294 VanDerWaalsContact CA-O 3.29Å; I271-C294 WeakPolarHBondContact CA-O 3.31Å; H272-C294 PolarHBondContact N-O 3.42Å; H272-C294 PolarHBondContact O-N 3.39Å; V274-C294 HydrophobicContact CG2-CB 3.72Å; L292-C294 PolarHBondContact O-N 2.77Å; L292-C294 PolarHBondContact O-SG 2.72Å; C294-L296 HydrophobicContact CB-CD2 4.05Å; C294-L296 PolarHBondContact O-N 3.42Å; C294-V301 HydrophobicContact CB-CG1 4.02Å; C294-V301 HydrophobicContact CB-CG2 4.37Å; C294-S303 CarbonylContact C-O 3.56Å; C294-S303 VanDerWaalsContact CA-O 3.31Å; C294-S303 WeakPolarHBondContact CA-O 3.43Å
295V98.9Very high98Very high23 Ų2327.8 Ų27.814%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-75.9114.4168.3178.90000108.3R270 I271 G302 S303 I305R270-V295 WeakPolarHBondContact O-CA 3.41Å; I271-V295 HydrophobicContact CG1-CG2 3.98Å; V295-G302 PolarHBondContact O-N 2.93Å; V295-S303 WeakPolarHBondContact CB-OG 3.32Å; V295-S303 WeakPolarHBondContact CG2-OG 3.44Å; V295-S303 PolarHBondContact N-O 3Å; V295-I305 HydrophobicContact CG2-CD1 3.95Å
296L98.9Very high97.9Very high0 Ų032.1 Ų32.10%019%0.187CC..EExtended strand (participates in β ladder)trans-101.3126.3179.2-59.2-169.4000111.7I160 L260 I264 S269 R270 H272 V274 C294 G300 V301I160-L296 HydrophobicContact CD1-CD2 4Å; L260-L296 HydrophobicContact CD2-CD1 3.79Å; I264-L296 HydrophobicContact CG1-CB 4.23Å; S269-L296 WeakPolarHBondContact CA-O 3.39Å; S269-L296 PolarHBondContact N-O 3.41Å; R270-L296 PolarHBondContact N-O 3.41Å; R270-L296 PolarHBondContact O-N 2.8Å; H272-L296 HydrophobicContact CB-CD1 4.06Å; H272-L296 HydrophobicContact CB-CG 4.42Å; V274-L296 HydrophobicContact CG1-CD1 4.3Å; V274-L296 HydrophobicContact CG2-CD1 4.38Å; V274-L296 HydrophobicContact CG2-CD2 4.17Å; C294-L296 HydrophobicContact CB-CD2 4.05Å; C294-L296 PolarHBondContact O-N 3.42Å; L296-G300 WeakPolarHBondContact CA-O 3.5Å; L296-V301 HydrophobicContact CD2-CB 4.44Å; L296-V301 HydrophobicContact CD2-CG2 3.83Å
297N98.4Very high97.9Very high23 Ų2329.5 Ų29.512%0.12318%0.175CC..EExtended strand (participates in β ladder)trans-144.2-168.9-178.871.630.5000110.1I264 N267 N299 G300I264-N297 WeakPolarHBondContact CA-O 3.32Å; I264-N297 WeakPolarHBondContact CG2-O 3.32Å; N267-N297 VanDerWaalsContact OD1-CB 3.3Å; N267-N297 WeakPolarHBondContact OD1-CB 3.37Å; N297-N299 PolarHBondContact O-N 3.12Å; N297-N299 WeakPolarHBondContact OD1-CB 3.38Å; N297-N299 PolarHBondContact OD1-N 3.37Å; N297-G300 PolarHBondContact N-O 3.09Å; N297-G300 PolarHBondContact O-N 2.74Å
298S97.6Very high97.9Very high44 Ų4433.1 Ų33.131%0.30820%0.202SC..THydrogen-bonded Turntrans-62.3-14.9-174.962.20000115R91 I264 N267R91-S298 VanDerWaalsContact NH2-CB 3.31Å; I264-S298 VanDerWaalsContact O-CA 3.3Å; I264-S298 WeakPolarHBondContact O-CA 3.32Å; N267-S298 PolarHBondContact OD1-N 3.24Å; N267-S298 PolarHBondContact OD1-OG 2.75Å
299N95.9Very high97.9Very high96 Ų9634.3 Ų34.351%0.51321%0.208SC..THydrogen-bonded Turntrans-91.73.7176.7-60-41000113.2H157 N297H157-N299 PolarHBondContact ND1-O 3.26Å; N297-N299 PolarHBondContact O-N 3.12Å; N297-N299 WeakPolarHBondContact OD1-CB 3.38Å; N297-N299 PolarHBondContact OD1-N 3.37Å
300G98.4Very high97.9Very high0 Ų037.1 Ų37.10%023%0.225CC..EExtended strand (participates in β ladder)trans86.8-124.4-168.900000110.7H157 L296 N297 G302H157-G300 CarbonylContact O-C 3.29Å; H157-G300 WeakPolarHBondContact O-CA 3.09Å; L296-G300 WeakPolarHBondContact CA-O 3.5Å; N297-G300 PolarHBondContact N-O 3.09Å; N297-G300 PolarHBondContact O-N 2.74Å; G300-G302 PolarHBondContact O-N 2.9Å
301V98.7Very high97.9Very high13 Ų1344.2 Ų44.28%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-76.5100.9175.9178.60000110H157 I160 C294 L296 V304H157-V301 HydrophobicContact CB-CB 4.3Å; H157-V301 WeakPolarHBondContact CB-O 3.33Å; H157-V301 PolarHBondContact O-N 3.46Å; I160-V301 HydrophobicContact CD1-CG2 3.97Å; I160-V301 HydrophobicContact CG1-CG2 3.89Å; C294-V301 HydrophobicContact CB-CG1 4.02Å; C294-V301 HydrophobicContact CB-CG2 4.37Å; L296-V301 HydrophobicContact CD2-CB 4.44Å; L296-V301 HydrophobicContact CD2-CG2 3.83Å; V301-V304 HydrophobicContact CG1-CG2 4.18Å
302G97.6Very high97.8Very high43 Ų4347.3 Ų47.344%0.44329%0.288SS..EExtended strand (participates in β ladder)trans-74.9-40.517700000113.1V295 G300V295-G302 PolarHBondContact O-N 2.93Å; G300-G302 PolarHBondContact O-N 2.9Å
303S98.3Very high97.8Very high57 Ų5747.6 Ų47.640%0.39929%0.289SS..EExtended strand (participates in β ladder)trans-157.4161.1175.9580000111.2C294 V295C294-S303 CarbonylContact C-O 3.56Å; C294-S303 VanDerWaalsContact CA-O 3.31Å; C294-S303 WeakPolarHBondContact CA-O 3.43Å; V295-S303 WeakPolarHBondContact CB-OG 3.32Å; V295-S303 WeakPolarHBondContact CG2-OG 3.44Å; V295-S303 PolarHBondContact N-O 3Å
304V98.5Very high97.7Very high30 Ų3048.7 Ų48.718%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-108.5136.3172.9-176.20000108.1T276 M281 L292 V301T276-V304 HydrophobicContact CG2-CG2 4.12Å; M281-V304 HydrophobicContact CE-CB 4.08Å; M281-V304 HydrophobicContact CE-CG1 4.35Å; M281-V304 HydrophobicContact CE-CG2 4.04Å; M281-V304 HydrophobicContact SD-CB 4.34Å; M281-V304 HydrophobicContact SD-CG1 3.95Å; L292-V304 HydrophobicContact CB-CG1 3.77Å; L292-V304 HydrophobicContact CD1-CG1 3.73Å; L292-V304 HydrophobicContact CG-CG1 4.42Å; V301-V304 HydrophobicContact CG1-CG2 4.18Å
305I98.3Very high97.7Very high58 Ų5850.5 Ų50.530%0.29732%0.315SS..  trans-79121.7178-55.9-58.1000109.1I271 Y282 P293 V295 M307I271-I305 HydrophobicContact CD1-CD1 3.94Å; I271-I305 HydrophobicContact CD1-CG1 4.14Å; I271-I305 HydrophobicContact CG1-CD1 4.33Å; I271-I305 HydrophobicContact CG1-CG1 4.37Å; I271-I305 HydrophobicContact CG2-CG1 3.97Å; Y282-I305 PolarHBondContact OH-O 3.18Å; P293-I305 HydrophobicContact CB-CB 3.99Å; P293-I305 HydrophobicContact CB-CG1 4.02Å; P293-I305 HydrophobicContact CG-CB 4.32Å; P293-I305 WeakPolarHBondContact O-CB 3.24Å; P293-I305 WeakPolarHBondContact O-CG1 3.31Å; P293-I305 PolarHBondContact O-N 3.27Å; V295-I305 HydrophobicContact CG2-CD1 3.95Å; I305-M307 HydrophobicContact CG2-CG 4.19Å; I305-M307 PolarHBondContact O-N 2.91Å; I305-M307 VanDerWaalsContact O-N 3.11Å
306N95.1Very high97.7Very high133 Ų13353.4 Ų53.471%0.71133%0.327SS*.  trans-78.590.5171.4-65.4-24.2000109
307M96.5Very high97.6Very high36 Ų3653.5 Ų53.518%0.17733%0.327CS..  trans-71.4141177.5-69.1-163.167.600111.3L191 V201 Y282 P293 I305 L309L191-M307 HydrophobicContact CD1-SD 3.68Å; V201-M307 HydrophobicContact CB-CE 4.39Å; V201-M307 HydrophobicContact CG1-CE 3.76Å; V201-M307 HydrophobicContact CG2-CE 4.49Å; Y282-M307 WeakPolarHBondContact CE1-O 3.48Å; Y282-M307 PolarHBondContact OH-N 3.33Å; P293-M307 HydrophobicContact CG-CG 3.92Å; P293-M307 HydrophobicContact CG-SD 3.44Å; P293-M307 WeakPolarHBondContact CG-SD 3.35Å; I305-M307 HydrophobicContact CG2-CG 4.19Å; I305-M307 PolarHBondContact O-N 2.91Å; I305-M307 VanDerWaalsContact O-N 3.11Å; M307-L309 VanDerWaalsContact C-N 3.29Å; M307-L309 HydrophobicContact CB-CD2 3.82Å; M307-L309 HydrophobicContact CB-CG 3.93Å; M307-L309 HydrophobicContact CE-CD2 4.26Å; M307-L309 PolarHBondContact O-N 2.95Å; M307-L309 HydrophobicContact SD-CD2 4.36Å
308T96.1Very high97.6Very high137 Ų13756.3 Ų56.384%0.8434%0.339SS*.  trans-81.278.816953.60000109.3
309L97.6Very high97.6Very high26 Ų2660.7 Ų60.714%0.13635%0.352CS..  trans-80149.5178.5-60.2-179.5000111.1V201 Y282 M307 E313 V314 L317V201-L309 HydrophobicContact CB-CD2 4.4Å; V201-L309 HydrophobicContact CG1-CD2 3.54Å; V201-L309 HydrophobicContact CG2-CD2 3.87Å; Y282-L309 HydrophobicContact CD1-CD1 4.01Å; Y282-L309 HydrophobicContact CE1-CD1 3.74Å; Y282-L309 HydrophobicContact CE1-CG 4.1Å; M307-L309 VanDerWaalsContact C-N 3.29Å; M307-L309 HydrophobicContact CB-CD2 3.82Å; M307-L309 HydrophobicContact CB-CG 3.93Å; M307-L309 HydrophobicContact CE-CD2 4.26Å; M307-L309 PolarHBondContact O-N 2.95Å; M307-L309 HydrophobicContact SD-CD2 4.36Å; L309-E313 HydrophobicContact CB-CB 4.09Å; L309-E313 HydrophobicContact CD2-CB 4.44Å; L309-V314 HydrophobicContact CB-CG2 3.7Å; L309-V314 HydrophobicContact CD1-CG2 4.33Å; L309-L317 HydrophobicContact CD1-CD2 4.13Å
310T97.9Very high97.6Very high58 Ų5856.1 Ų56.136%0.35633%0.328SS..  trans-70.6159.2168.562.10000111.1A312 E313 V314T310-A312 PolarHBondContact O-N 3.29Å; T310-E313 WeakPolarHBondContact CB-OE2 3.32Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.44Å; T310-E313 PolarHBondContact N-OE2 3Å; T310-E313 PolarHBondContact O-N 2.66Å; T310-E313 WeakPolarHBondContact OG1-CB 3.21Å; T310-E313 VanDerWaalsContact OG1-CG 3.24Å; T310-E313 WeakPolarHBondContact OG1-CG 3.39Å; T310-E313 PolarHBondContact OG1-N 2.91Å; T310-E313 PolarHBondContact OG1-OE2 2.8Å; T310-V314 WeakPolarHBondContact O-CG2 3.17Å; T310-V314 PolarHBondContact O-N 2.63Å
311D97.9Very high97.6Very high150 Ų15056.2 Ų56.280%0.80233%0.329SS*.Hα-helixtrans-57.4-34.7177.6-68-26.8000112.6G315D311-G315 PolarHBondContact O-N 3.19Å
312A96.8Very high97.5Very high64 Ų6460.9 Ų60.953%0.52935%0.353SS..Hα-helixtrans-68.1-41.417600000112.3T310 G315 Q316T310-A312 PolarHBondContact O-N 3.29Å; A312-G315 PolarHBondContact O-N 3.19Å; A312-Q316 WeakPolarHBondContact O-CG 3.46Å; A312-Q316 PolarHBondContact O-N 3.42Å; A312-Q316 PolarHBondContact O-NE2 2.84Å
313E98.1Very high97.3Very high6 Ų661.2 Ų61.23%0.02835%0.346CS..Hα-helixtrans-67.8-40.9175.6-72.3160.7155.600111.1V199 V201 W202 S203 L309 T310 G315 Q316 L317V199-E313 HydrophobicContact CG1-CB 4.47Å; V201-E313 VanDerWaalsContact C-OE1 3.31Å; V201-E313 VanDerWaalsContact CA-OE1 3.3Å; V201-E313 WeakPolarHBondContact CA-OE1 3.4Å; V201-E313 WeakPolarHBondContact CG1-OE1 3.42Å; W202-E313 PolarHBondContact N-OE1 3.34Å; W202-E313 VanDerWaalsContact N-OE1 3.07Å; S203-E313 WeakPolarHBondContact CB-OE1 3.48Å; S203-E313 PolarHBondContact N-OE1 3.04Å; S203-E313 VanDerWaalsContact N-OE1 3.08Å; S203-E313 VanDerWaalsContact OG-CD 3.26Å; S203-E313 PolarHBondContact OG-OE1 3.35Å; S203-E313 PolarHBondContact OG-OE2 2.9Å; L309-E313 HydrophobicContact CB-CB 4.09Å; L309-E313 HydrophobicContact CD2-CB 4.44Å; T310-E313 WeakPolarHBondContact CB-OE2 3.32Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.44Å; T310-E313 PolarHBondContact N-OE2 3Å; T310-E313 PolarHBondContact O-N 2.66Å; T310-E313 WeakPolarHBondContact OG1-CB 3.21Å; T310-E313 VanDerWaalsContact OG1-CG 3.24Å; T310-E313 WeakPolarHBondContact OG1-CG 3.39Å; T310-E313 PolarHBondContact OG1-N 2.91Å; T310-E313 PolarHBondContact OG1-OE2 2.8Å; E313-G315 VanDerWaalsContact C-N 3.35Å; E313-Q316 PolarHBondContact O-N 3.43Å; E313-L317 WeakPolarHBondContact O-CB 3.28Å; E313-L317 PolarHBondContact O-N 3.2Å
314V98.3Very high97.2Very high25 Ų2558.5 Ų58.515%0.15233%0.328CS..Hα-helixtrans-61.5-43.2172.5172.90000111Y282 L309 T310 Q316 L317 K318Y282-V314 HydrophobicContact CD1-CG2 4.31Å; L309-V314 HydrophobicContact CB-CG2 3.7Å; L309-V314 HydrophobicContact CD1-CG2 4.33Å; T310-V314 WeakPolarHBondContact O-CG2 3.17Å; T310-V314 PolarHBondContact O-N 2.63Å; V314-Q316 VanDerWaalsContact C-N 3.34Å; V314-Q316 PolarHBondContact O-N 3.17Å; V314-L317 PolarHBondContact O-N 2.81Å; V314-K318 HydrophobicContact CG1-CD 4.35Å; V314-K318 WeakPolarHBondContact O-CG 3.23Å; V314-K318 PolarHBondContact O-N 2.9Å
315G98.3Very high97Very high39 Ų3960.6 Ų60.640%0.40233%0.332SS..Hα-helixtrans-60.3-42.1176.600000112.7D311 A312 E313 K319D311-G315 PolarHBondContact O-N 3.19Å; A312-G315 PolarHBondContact O-N 3.19Å; E313-G315 VanDerWaalsContact C-N 3.35Å; G315-K319 PolarHBondContact O-N 3.27Å; G315-K319 VanDerWaalsContact O-N 3.09Å
316Q97.9Very high96.8Very high83 Ų8359 Ų5939%0.38833%0.33SS..Hα-helixtrans-65.5-42.7174.4-71.7172.365.900111.9V199 A312 E313 V314 K318 K319 S320V199-Q316 HydrophobicContact CB-CB 4.45Å; V199-Q316 HydrophobicContact CG1-CB 3.87Å; V199-Q316 HydrophobicContact CG2-CB 3.76Å; A312-Q316 WeakPolarHBondContact O-CG 3.46Å; A312-Q316 PolarHBondContact O-N 3.42Å; A312-Q316 PolarHBondContact O-NE2 2.84Å; E313-Q316 PolarHBondContact O-N 3.43Å; V314-Q316 VanDerWaalsContact C-N 3.34Å; V314-Q316 PolarHBondContact O-N 3.17Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.42Å; Q316-K319 WeakPolarHBondContact O-CB 3.47Å; Q316-K319 PolarHBondContact O-N 3.44Å; Q316-K319 VanDerWaalsContact O-N 3.12Å; Q316-S320 PolarHBondContact O-N 3.39Å; Q316-S320 PolarHBondContact O-OG 3.48Å; Q316-S320 VanDerWaalsContact O-OG 3.08Å
317L98Very high96.7Very high2 Ų253.7 Ų53.71%0.0130%0.301CS..Hα-helixtrans-61.3-42.5178.8-170.168.1000112Y282 I284 L290 L292 L309 E313 V314 S320 A321Y282-L317 HydrophobicContact CD2-CD2 3.59Å; Y282-L317 HydrophobicContact CE2-CD2 4.18Å; Y282-L317 HydrophobicContact CG-CD2 3.82Å; I284-L317 HydrophobicContact CD1-CD2 4.5Å; I284-L317 HydrophobicContact CD1-CG 4.34Å; L290-L317 HydrophobicContact CD1-CD1 3.71Å; L290-L317 HydrophobicContact CD1-CG 4.48Å; L290-L317 HydrophobicContact CD2-CD1 4.26Å; L292-L317 HydrophobicContact CD2-CD1 4.48Å; L292-L317 HydrophobicContact CD2-CD2 4.11Å; L309-L317 HydrophobicContact CD1-CD2 4.13Å; E313-L317 WeakPolarHBondContact O-CB 3.28Å; E313-L317 PolarHBondContact O-N 3.2Å; V314-L317 PolarHBondContact O-N 2.81Å; L317-S320 WeakPolarHBondContact O-CB 3.43Å; L317-S320 PolarHBondContact O-N 3.14Å; L317-A321 PolarHBondContact O-N 2.93Å
318K98.3Very high96.5Very high83 Ų8352.2 Ų52.236%0.36129%0.294SS..Hα-helixtrans-61-43.1173.1-73.1178.5179.4-178.60111.6Y282 I284 V314 Q316 S320 A321 D322Y282-K318 WeakPolarHBondContact O-CE 3.5Å; I284-K318 HydrophobicContact CG1-CG 4.25Å; V314-K318 HydrophobicContact CG1-CD 4.35Å; V314-K318 WeakPolarHBondContact O-CG 3.23Å; V314-K318 PolarHBondContact O-N 2.9Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.42Å; K318-S320 VanDerWaalsContact C-N 3.33Å; K318-S320 PolarHBondContact O-N 3.17Å; K318-A321 CarbonylContact O-C 3.53Å; K318-A321 WeakPolarHBondContact O-CA 3.49Å; K318-A321 WeakPolarHBondContact O-CB 3.29Å; K318-A321 PolarHBondContact O-N 2.98Å; K318-A321 VanDerWaalsContact O-N 3.07Å; K318-D322 VanDerWaalsContact O-CG 3.27Å; K318-D322 PolarHBondContact O-N 2.89Å
319K97.5Very high96.3Very high135 Ų13551.7 Ų51.759%0.58728%0.28SS*.Hα-helixtrans-60.9-39.8176.1-176.1-179.1176.7-176.30112.4G315 Q316 A321 D322 T323G315-K319 PolarHBondContact O-N 3.27Å; G315-K319 VanDerWaalsContact O-N 3.09Å; Q316-K319 WeakPolarHBondContact O-CB 3.47Å; Q316-K319 PolarHBondContact O-N 3.44Å; Q316-K319 VanDerWaalsContact O-N 3.12Å; K319-A321 VanDerWaalsContact C-N 3.34Å; K319-D322 PolarHBondContact O-N 3.05Å; K319-T323 WeakPolarHBondContact O-CB 3.34Å; K319-T323 PolarHBondContact O-N 2.99Å; K319-T323 PolarHBondContact O-OG1 2.93Å
320S96.6Very high96Very high1 Ų154.4 Ų54.41%0.00730%0.295CS..Hα-helixtrans-61.6-44.9172.6-42.70000110.5T197 Q316 L317 K318 D322 T323 L324T197-S320 PolarHBondContact O-OG 3.39Å; Q316-S320 PolarHBondContact O-N 3.39Å; Q316-S320 PolarHBondContact O-OG 3.48Å; Q316-S320 VanDerWaalsContact O-OG 3.08Å; L317-S320 WeakPolarHBondContact O-CB 3.43Å; L317-S320 PolarHBondContact O-N 3.14Å; K318-S320 VanDerWaalsContact C-N 3.33Å; K318-S320 PolarHBondContact O-N 3.17Å; S320-D322 PolarHBondContact O-N 3.45Å; S320-T323 PolarHBondContact O-N 3.18Å; S320-L324 VanDerWaalsContact O-CG 3.32Å; S320-L324 WeakPolarHBondContact O-CG 3.44Å; S320-L324 PolarHBondContact O-N 3.49Å
321A97.6Very high95.6Very high2 Ų252.7 Ų52.72%0.01728%0.283CS..Hα-helixtrans-61.5-44.4177.800000112.3I284 L290 L317 K318 K319 T323 L324 W325I284-A321 HydrophobicContact CD1-CB 3.82Å; I284-A321 HydrophobicContact CG1-CB 4.03Å; I284-A321 HydrophobicContact CG2-CB 3.91Å; L290-A321 HydrophobicContact CD2-CB 3.8Å; L317-A321 PolarHBondContact O-N 2.93Å; K318-A321 CarbonylContact O-C 3.53Å; K318-A321 WeakPolarHBondContact O-CA 3.49Å; K318-A321 WeakPolarHBondContact O-CB 3.29Å; K318-A321 PolarHBondContact O-N 2.98Å; K318-A321 VanDerWaalsContact O-N 3.07Å; K319-A321 VanDerWaalsContact C-N 3.34Å; A321-T323 VanDerWaalsContact C-N 3.33Å; A321-T323 PolarHBondContact O-N 2.89Å; A321-L324 PolarHBondContact O-N 3.37Å; A321-W325 VanDerWaalsContact O-CB 3.28Å; A321-W325 WeakPolarHBondContact O-CB 3.22Å; A321-W325 PolarHBondContact O-N 3.21Å
322D96.5Very high94.9Very high110 Ų11052.4 Ų52.459%0.58828%0.275SS*.Hα-helixtrans-62.4-39.9177.1-66.9-26.8000111.8K318 K319 S320 G326K318-D322 VanDerWaalsContact O-CG 3.27Å; K318-D322 PolarHBondContact O-N 2.89Å; K319-D322 PolarHBondContact O-N 3.05Å; S320-D322 PolarHBondContact O-N 3.45Å; D322-G326 PolarHBondContact O-N 3.3Å
323T93.8Very high94.1Very high50 Ų5055.4 Ų55.431%0.30728%0.282SS..Hα-helixtrans-62.5-47.8177-58.90000110.9K319 S320 A321 G326 I327K319-T323 WeakPolarHBondContact O-CB 3.34Å; K319-T323 PolarHBondContact O-N 2.99Å; K319-T323 PolarHBondContact O-OG1 2.93Å; S320-T323 PolarHBondContact O-N 3.18Å; A321-T323 VanDerWaalsContact C-N 3.33Å; A321-T323 PolarHBondContact O-N 2.89Å; T323-G326 PolarHBondContact O-N 3.27Å; T323-I327 PolarHBondContact O-N 2.92Å
324L95.4Very high93Very high0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-67.5-43.3178.8-68.4167.9000111.8D142 V143 E193 V288 F289 L290 S320 A321 G326 I327 Q328D142-L324 HydrophobicContact CB-CD1 3.95Å; D142-L324 HydrophobicContact CB-CD2 3.84Å; V143-L324 HydrophobicContact CG2-CD2 3.77Å; E193-L324 HydrophobicContact CB-CD1 3.98Å; E193-L324 HydrophobicContact CB-CG 4.33Å; E193-L324 HydrophobicContact CG-CD1 4.37Å; E193-L324 HydrophobicContact CG-CD2 4.05Å; E193-L324 HydrophobicContact CG-CG 4.35Å; V288-L324 HydrophobicContact CG1-CB 3.58Å; V288-L324 HydrophobicContact CG1-CD1 3.98Å; V288-L324 HydrophobicContact CG1-CG 4.46Å; F289-L324 WeakPolarHBondContact O-CD1 3.41Å; L290-L324 HydrophobicContact CB-CD1 3.89Å; S320-L324 VanDerWaalsContact O-CG 3.32Å; S320-L324 WeakPolarHBondContact O-CG 3.44Å; S320-L324 PolarHBondContact O-N 3.49Å; A321-L324 PolarHBondContact O-N 3.37Å; L324-G326 VanDerWaalsContact C-N 3.3Å; L324-G326 PolarHBondContact O-N 3.33Å; L324-I327 PolarHBondContact O-N 3.12Å; L324-I327 VanDerWaalsContact O-N 3.12Å; L324-Q328 WeakPolarHBondContact O-CG 3.43Å; L324-Q328 PolarHBondContact O-N 3.19Å
325W95.7Very high92.8Very high75 Ų7560.5 Ų60.528%0.28431%0.307SS..Hα-helixtrans-59.7-41.5175.2179.5-123.9000112E286 V288 A321 I327 Q328 K329E286-W325 HydrophobicContact CB-CD2 3.88Å; E286-W325 HydrophobicContact CB-CE3 4.02Å; E286-W325 HydrophobicContact CB-CG 4.2Å; E286-W325 HydrophobicContact CB-CZ3 4.44Å; E286-W325 HydrophobicContact CG-CD2 3.95Å; E286-W325 HydrophobicContact CG-CG 4.07Å; E286-W325 HydrophobicContact CG-CZ2 4.32Å; E286-W325 WeakPolarHBondContact OE2-CZ2 3.39Å; V288-W325 HydrophobicContact CG2-CB 3.76Å; V288-W325 HydrophobicContact CG2-CE3 4.15Å; V288-W325 HydrophobicContact CG2-CG 4.44Å; A321-W325 VanDerWaalsContact O-CB 3.28Å; A321-W325 WeakPolarHBondContact O-CB 3.22Å; A321-W325 PolarHBondContact O-N 3.21Å; W325-I327 PolarHBondContact O-N 3.41Å; W325-Q328 HydrophobicContact CE3-CB 4.11Å; W325-Q328 HydrophobicContact CZ3-CB 4.5Å; W325-Q328 PolarHBondContact O-N 2.87Å; W325-Q328 VanDerWaalsContact O-N 3.1Å; W325-K329 HydrophobicContact CD2-CB 4.47Å; W325-K329 HydrophobicContact CZ2-CB 4.19Å; W325-K329 WeakPolarHBondContact O-CG 3.27Å; W325-K329 PolarHBondContact O-N 3.36Å
326G94.1Very high92.5Very high24 Ų2461.6 Ų61.625%0.24730%0.302CS..Hα-helixtrans-54.7-33.2175.600000113.1D322 T323 L324D322-G326 PolarHBondContact O-N 3.3Å; T323-G326 PolarHBondContact O-N 3.27Å; L324-G326 VanDerWaalsContact C-N 3.3Å; L324-G326 PolarHBondContact O-N 3.33Å
327I91.4Very high92.2Very high21 Ų2160.4 Ų60.411%0.10830%0.297CS..Hα-helixtrans-82.3-45.7174.3-60166.5000110.7R107 L108 V111 V143 T323 L324 W325 K329 D330R107-I327 HydrophobicContact CG-CD1 4.05Å; L108-I327 HydrophobicContact CD1-CG2 4.15Å; V111-I327 HydrophobicContact CG2-CG2 4.17Å; V143-I327 HydrophobicContact CG1-CG2 4.46Å; V143-I327 HydrophobicContact CG2-CG2 4.38Å; T323-I327 PolarHBondContact O-N 2.92Å; L324-I327 PolarHBondContact O-N 3.12Å; L324-I327 VanDerWaalsContact O-N 3.12Å; W325-I327 PolarHBondContact O-N 3.41Å; I327-K329 PolarHBondContact O-N 2.89Å; I327-D330 PolarHBondContact O-N 3.28Å
328Q92.7Very high91.8Very high6 Ų663.9 Ų63.93%0.02831%0.314CS..Hα-helixtrans-61.3-41.3-174.3-75.9175.8-4.700113.3V143 Y146 E287 L324 W325 D330 L331V143-Q328 HydrophobicContact CG1-CG 4.2Å; V143-Q328 HydrophobicContact CG2-CG 4.34Å; Y146-Q328 HydrophobicContact CD1-CG 4.16Å; Y146-Q328 HydrophobicContact CG-CG 4.44Å; E287-Q328 PolarHBondContact O-OE1 3.45Å; L324-Q328 WeakPolarHBondContact O-CG 3.43Å; L324-Q328 PolarHBondContact O-N 3.19Å; W325-Q328 HydrophobicContact CE3-CB 4.11Å; W325-Q328 HydrophobicContact CZ3-CB 4.5Å; W325-Q328 PolarHBondContact O-N 2.87Å; W325-Q328 VanDerWaalsContact O-N 3.1Å; Q328-D330 PolarHBondContact O-N 3.21Å; Q328-L331 HydrophobicContact CG-CD1 4.5Å; Q328-L331 WeakPolarHBondContact O-CB 3.02Å; Q328-L331 WeakPolarHBondContact O-CG 3.47Å; Q328-L331 PolarHBondContact O-N 3.13Å; Q328-L331 VanDerWaalsContact O-N 3.14Å
329K91.8Very high91.4Very high125 Ų12562.7 Ų62.754%0.54331%0.311SS..THydrogen-bonded Turntrans-63.7-23.6-178.673.1-176.8-173.7177.50113.6W325 I327W325-K329 HydrophobicContact CD2-CB 4.47Å; W325-K329 HydrophobicContact CZ2-CB 4.19Å; W325-K329 WeakPolarHBondContact O-CG 3.27Å; W325-K329 PolarHBondContact O-N 3.36Å; I327-K329 PolarHBondContact O-N 2.89Å
330D91.1Very high91Very high84 Ų8457.9 Ų57.945%0.44929%0.293SS..THydrogen-bonded Turntrans-95.5-1.8-178.5-66.3-24000112.2L108 I327 Q328L108-D330 HydrophobicContact CD1-CB 4.08Å; L108-D330 HydrophobicContact CD2-CB 4.23Å; I327-D330 PolarHBondContact O-N 3.28Å; Q328-D330 PolarHBondContact O-N 3.21Å
331L90.1Very high90.6Very high22 Ų2261.9 Ų61.912%0.11531%0.313CS..  trans-70.7135.9176.5-61.8177.3000111L108 V111 V115 V143 V147 Q328 I334L108-L331 HydrophobicContact CD1-CD2 4.14Å; V111-L331 HydrophobicContact CB-CD2 4.23Å; V111-L331 HydrophobicContact CG1-CD1 4.18Å; V111-L331 HydrophobicContact CG1-CD2 3.42Å; V111-L331 VanDerWaalsContact CG1-CD2 3.42Å; V111-L331 HydrophobicContact CG1-CG 4.45Å; V115-L331 HydrophobicContact CG2-CD2 4.39Å; V143-L331 HydrophobicContact CG1-CD1 3.71Å; V147-L331 HydrophobicContact CG2-CD1 4.03Å; Q328-L331 HydrophobicContact CG-CD1 4.5Å; Q328-L331 WeakPolarHBondContact O-CB 3.02Å; Q328-L331 WeakPolarHBondContact O-CG 3.47Å; Q328-L331 PolarHBondContact O-N 3.13Å; Q328-L331 VanDerWaalsContact O-N 3.14Å; L331-I334 HydrophobicContact CB-CD1 3.41Å; L331-I334 VanDerWaalsContact CB-CD1 3.41Å; L331-I334 HydrophobicContact CB-CG1 4.37Å; L331-I334 HydrophobicContact CD1-CD1 3.43Å; L331-I334 VanDerWaalsContact CD1-CD1 3.43Å; L331-I334 HydrophobicContact CG-CD1 4Å
332K83.4Confident90.1Very high143 Ų14366.5 Ų66.562%0.62234%0.336SS*.  trans-103.6146.1-179.9-64178.8-177.2178.20111.1Q112Q112-K332 PolarHBondContact NE2-O 3.45Å
333D78.6Confident89.5Confident128 Ų12862.9 Ų62.968%0.68432%0.315SS*.  trans59.250168.3-52.8-40000112.9K119K119-D333 WeakPolarHBondContact CE-O 3.48Å; K119-D333 PolarHBondContact NZ-O 3.28Å
334I76.5Confident89.2Confident77 Ų7764.1 Ų64.140%0.39532%0.316SS..  trans-104.90176-71.9176.8000110.8V115 Y146 V147 K150 L331V115-I334 HydrophobicContact CG1-CD1 4.35Å; V115-I334 HydrophobicContact CG1-CG1 3.89Å; V115-I334 HydrophobicContact CG2-CD1 4.27Å; Y146-I334 HydrophobicContact CE1-CD1 4.37Å; Y146-I334 HydrophobicContact CE1-CG2 4.39Å; V147-I334 HydrophobicContact CG2-CD1 3.71Å; K150-I334 HydrophobicContact CB-CG2 3.29Å; K150-I334 HydrophobicContact CG-CG2 3.65Å; L331-I334 HydrophobicContact CB-CD1 3.41Å; L331-I334 VanDerWaalsContact CB-CD1 3.41Å; L331-I334 HydrophobicContact CB-CG1 4.37Å; L331-I334 HydrophobicContact CD1-CD1 3.43Å; L331-I334 VanDerWaalsContact CD1-CD1 3.43Å; L331-I334 HydrophobicContact CG-CD1 4Å

Retrieved 334 of 334 residues in 88.6 ms (Link to these results)

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