A0A077S2U6_MOUSE Loading...

lysozyme

AlphaFold DB (P08905), UniProt , Accession A0A077S2U6, Species MOUSE (Mus musculus, Mouse), Gene Lyz2, Length 148 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
1M53.7Low59.6Low239 Ų239154.1 Ų154.1100%1.17784%0.836SS**  0128.60-74.6163.961.900109.4
2K51Low59.6Low209 Ų209153.8 Ų153.891%0.90983%0.832SS**  trans176.889137.1-94.7170.3-171.2-174.80107.7
3T59.8Low59.6Low129 Ų129149.5 Ų149.579%0.79182%0.821SS**  trans-54.6145.8145.728.10000109.2
4L61.5Low59.8Low154 Ų154147.6 Ų147.681%0.80682%0.816SS**  trans17899.7137.5-108.6103.8000107.1
5L57Low59.6Low145 Ų145145.3 Ų145.376%0.75981%0.808SS**  91.698.192.2-90.3171.9000111.4L7L5-L7 PolarHBondContact O-N 3.31Å
6T58.9Low60Low136 Ų136140 Ų14083%0.83479%0.788SS**  trans-45.4117.8154.144.60000110.5
7L61.3Low60.8Low171 Ų171141.5 Ų141.590%0.89579%0.787SS**  trans-114.497.2158.1-160.668.7000107L5 L9L5-L7 PolarHBondContact O-N 3.31Å; L7-L9 PolarHBondContact O-N 3.22Å
8G60.8Low61.9Low68 Ų68135.4 Ų135.470%0.70176%0.758SS**  trans-58.7119.1173.900000109.5L10G8-L10 VanDerWaalsContact C-N 3.26Å; G8-L10 PolarHBondContact O-N 2.9Å
9L65.2Low63.7Low150 Ų150131.4 Ų131.479%0.78573%0.732SS**  trans-6988.9170-173.371.4000107.5L7 L11L7-L9 PolarHBondContact O-N 3.22Å; L9-L11 HydrophobicContact CD2-CD1 4.45Å; L9-L11 HydrophobicContact CD2-CG 4.22Å; L9-L11 HydrophobicContact CG-CG 4.3Å; L9-L11 PolarHBondContact O-N 2.91Å
10L62.9Low65.4Low155 Ų155128.2 Ų128.281%0.81272%0.715SS**  trans-69.287.6167.7-152.387.1000106.6G8 L12G8-L10 VanDerWaalsContact C-N 3.26Å; G8-L10 PolarHBondContact O-N 2.9Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 2.88Å
11L63.4Low67Low139 Ų139123.1 Ų123.173%0.72869%0.686SS**  trans-5999.8167.5-83.2153.5000106.7L9 S13L9-L11 HydrophobicContact CD2-CD1 4.45Å; L9-L11 HydrophobicContact CD2-CG 4.22Å; L9-L11 HydrophobicContact CG-CG 4.3Å; L9-L11 PolarHBondContact O-N 2.91Å; L11-S13 PolarHBondContact O-N 2.8Å
12L59.4Low69.1Low150 Ų150118.5 Ų118.579%0.78566%0.661SS**  trans-61.886.3161-77.4157.7000106.3L10 V14L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 2.88Å; L12-V14 PolarHBondContact O-N 2.8Å
13S59.5Low71.4Confident99 Ų99112 Ų11269%0.69263%0.631SS**  trans-63.686.4159.5290000106L11 T15L11-S13 PolarHBondContact O-N 2.8Å; S13-T15 PolarHBondContact O-N 2.77Å
14V62.5Low73.2Confident123 Ų123107 Ų10775%0.74560%0.601SS**  trans-59.293.8158.6176.40000104.2L12 A16L12-V14 PolarHBondContact O-N 2.8Å; V14-A16 PolarHBondContact O-N 2.75Å
15T57.8Low75Confident113 Ų113102.9 Ų102.969%0.69358%0.577SS**  trans-63.492.9164.851.50000104.3S13 Q17S13-T15 PolarHBondContact O-N 2.77Å; T15-Q17 PolarHBondContact O-N 3.06Å
16A65.5Low77Confident60 Ų6096 Ų9650%0.49654%0.541SS..  trans-64.787.8170.600000105.3V14 R59V14-A16 PolarHBondContact O-N 2.75Å; A16-R59 PolarHBondContact O-NH1 3.15Å
17Q73.7Confident78.9Confident166 Ų16689.5 Ų89.578%0.77650%0.501SS*.PPolyproline II helixtrans-70.1136.3177.3-168.5163.5-7.700107.5T15 K19 R59T15-Q17 PolarHBondContact O-N 3.06Å; Q17-K19 PolarHBondContact O-N 2.91Å; Q17-R59 PolarHBondContact O-NH2 2.83Å
18A80.6Confident80.7Confident32 Ų3286.3 Ų86.326%0.26448%0.478SS..PPolyproline II helixtrans-62.6130.1179.600000110.5V20 N57 R59A18-V20 PolarHBondContact O-N 2.74Å; A18-N57 WeakPolarHBondContact CB-OD1 3.3Å; A18-R59 HydrophobicContact CB-CB 3.67Å; A18-R59 HydrophobicContact CB-CG 3.59Å
19K95.9Very high82.5Confident58 Ų5883.7 Ų83.725%0.25245%0.448SS..PPolyproline II helixtrans-66120.2170.3173.559.8179.9146.90109.4Q17 Y21 E25 T58 D105Q17-K19 PolarHBondContact O-N 2.91Å; K19-Y21 HydrophobicContact CG-CD2 3.96Å; K19-Y21 HydrophobicContact CG-CE2 3.82Å; K19-E25 WeakPolarHBondContact CE-OE1 3.36Å; K19-E25 VanDerWaalsContact NZ-CD 3.28Å; K19-E25 IonicContact NZ-OE1 3.99Å; K19-E25 PolarHBondContact NZ-OE1 2.05Å; K19-E25 IonicContact NZ-OE2 3.05Å; K19-E25 PolarHBondContact NZ-OE2 3.36Å; K19-T58 HydrophobicContact CB-CG2 4.07Å; K19-T58 HydrophobicContact CG-CG2 4.19Å; K19-T58 PolarHBondContact N-OG1 3.28Å; K19-T58 WeakPolarHBondContact O-CB 3.09Å; K19-T58 WeakPolarHBondContact O-CG2 3.38Å; K19-T58 PolarHBondContact O-N 2.96Å; K19-T58 PolarHBondContact O-OG1 2.87Å; K19-D105 HydrophobicContact CB-CB 3.76Å; K19-D105 WeakPolarHBondContact CB-OD1 3.16Å; K19-D105 HydrophobicContact CG-CB 4.49Å; K19-D105 PolarHBondContact N-OD1 3.26Å
20V98.1Very high84.1Confident67 Ų6776.6 Ų76.641%0.40641%0.411SS..BIsolated β-bridgetrans-102.3122.4163.4-175.70000107.1A18 N55 Y56 N57A18-V20 PolarHBondContact O-N 2.74Å; V20-N55 WeakPolarHBondContact CG1-O 3.29Å; V20-Y56 WeakPolarHBondContact CA-O 3.49Å; V20-N57 HydrophobicContact CG2-CB 4.13Å
21Y98.5Very high85.8Confident23 Ų2374 Ų749%0.0939%0.393CS..PPolyproline II helixtrans-79.1141176.9-81-98.6000110.9K19 E25 F26 T29 Y56 T58 I74 D105 I107K19-Y21 HydrophobicContact CG-CD2 3.96Å; K19-Y21 HydrophobicContact CG-CE2 3.82Å; Y21-E25 HydrophobicContact CD1-CB 4.22Å; Y21-E25 VanDerWaalsContact CD1-CD 3.49Å; Y21-E25 HydrophobicContact CD1-CG 3.72Å; Y21-E25 HydrophobicContact CE1-CG 4.14Å; Y21-F26 HydrophobicContact CD1-CB 4.27Å; Y21-F26 HydrophobicContact CD1-CD2 4.33Å; Y21-F26 HydrophobicContact CD2-CD2 4.37Å; Y21-F26 HydrophobicContact CG-CB 4.26Å; Y21-F26 HydrophobicContact CG-CD2 4.08Å; Y21-T29 HydrophobicContact CE1-CG2 4.4Å; Y21-Y56 PolarHBondContact N-O 2.84Å; Y21-Y56 VanDerWaalsContact O-CB 3.25Å; Y21-Y56 WeakPolarHBondContact O-CB 3.16Å; Y21-T58 HydrophobicContact CD2-CG2 3.89Å; Y21-T58 HydrophobicContact CE2-CG2 3.65Å; Y21-I74 HydrophobicContact CD2-CD1 3.81Å; Y21-I74 HydrophobicContact CE2-CD1 4.44Å; Y21-D105 PolarHBondContact OH-O 3.43Å; Y21-I107 HydrophobicContact CE2-CD1 4.23Å; Y21-I107 HydrophobicContact CE2-CG2 3.92Å
22E98.5Very high87.5Confident141 Ų14175.8 Ų75.866%0.65939%0.39SS*.PPolyproline II helixtrans-70.6146.1161.4-69.8-60.5146.800109.8C24 E25 F26E22-C24 VanDerWaalsContact C-N 3.31Å; E22-C24 PolarHBondContact O-N 3.15Å; E22-C24 VanDerWaalsContact O-N 3.15Å; E22-E25 HydrophobicContact CB-CB 4.03Å; E22-E25 PolarHBondContact N-OE2 3.11Å; E22-E25 WeakPolarHBondContact O-CA 3.39Å; E22-E25 WeakPolarHBondContact O-CB 3.39Å; E22-E25 PolarHBondContact O-N 3.17Å; E22-F26 PolarHBondContact O-N 3.04Å
23R98.6Very high89.4Confident74 Ų7471.1 Ų71.128%0.27937%0.366SS..Hα-helixtrans-47.7-49.8-176.7-179.3-176.963.580.4-1.7113.4F26 A27 V47 Y56 Q141 Y142 R144 C146R23-F26 PolarHBondContact O-N 2.91Å; R23-A27 WeakPolarHBondContact O-CB 3.42Å; R23-A27 PolarHBondContact O-N 3.39Å; R23-V47 HydrophobicContact CG-CG1 3.84Å; R23-Y56 HydrophobicContact CB-CE2 4.02Å; R23-Y56 HydrophobicContact CG-CE2 4.43Å; R23-Q141 PolarHBondContact NH1-O 2.98Å; R23-Y142 WeakPolarHBondContact CD-O 2.91Å; R23-Y142 WeakPolarHBondContact CG-O 3.26Å; R23-Y142 PolarHBondContact NH1-O 3.07Å; R23-R144 PolarHBondContact NH1-O 3.42Å; R23-R144 VanDerWaalsContact NH1-O 3.11Å; R23-R144 PolarHBondContact NH2-O 3.45Å; R23-C146 PolarHBondContact NH1-SG 3.14Å
24C98.8Very high91.2Very high24 Ų2468.4 Ų68.416%0.16235%0.354CS..Hα-helixtrans-76.1-29.1-179.1-73.20000113.7E22 F26 R28 C146E22-C24 VanDerWaalsContact C-N 3.31Å; E22-C24 PolarHBondContact O-N 3.15Å; E22-C24 VanDerWaalsContact O-N 3.15Å; C24-F26 VanDerWaalsContact C-N 3.33Å; C24-R28 VanDerWaalsContact O-CG 3.3Å; C24-R28 WeakPolarHBondContact O-CG 3.37Å; C24-R28 PolarHBondContact O-N 3.17Å; C24-R28 VanDerWaalsContact O-N 3.09Å; C24-C146 WeakPolarHBondContact CA-SG 3.33Å; C24-C146 HydrophobicContact CB-CB 3.68Å; C24-C146 WeakPolarHBondContact CB-SG 3.11Å; C24-C146 WeakPolarHBondContact SG-CA 3.3Å; C24-C146 WeakPolarHBondContact SG-CB 3.33Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 2.86Å
25E98.7Very high93Very high66 Ų6662.6 Ų62.631%0.30832%0.318SS..Hα-helixtrans-63.7-44.6171.8-174.1-164173.900110K19 Y21 E22 R28 T29K19-E25 WeakPolarHBondContact CE-OE1 3.36Å; K19-E25 VanDerWaalsContact NZ-CD 3.28Å; K19-E25 IonicContact NZ-OE1 3.99Å; K19-E25 PolarHBondContact NZ-OE1 2.05Å; K19-E25 IonicContact NZ-OE2 3.05Å; K19-E25 PolarHBondContact NZ-OE2 3.36Å; Y21-E25 HydrophobicContact CD1-CB 4.22Å; Y21-E25 VanDerWaalsContact CD1-CD 3.49Å; Y21-E25 HydrophobicContact CD1-CG 3.72Å; Y21-E25 HydrophobicContact CE1-CG 4.14Å; E22-E25 HydrophobicContact CB-CB 4.03Å; E22-E25 PolarHBondContact N-OE2 3.11Å; E22-E25 WeakPolarHBondContact O-CA 3.39Å; E22-E25 WeakPolarHBondContact O-CB 3.39Å; E22-E25 PolarHBondContact O-N 3.17Å; E25-R28 PolarHBondContact O-N 3.22Å; E25-T29 WeakPolarHBondContact O-CB 3.5Å; E25-T29 PolarHBondContact O-N 3.24Å; E25-T29 PolarHBondContact O-OG1 2.63Å
26F98.8Very high94.9Very high0 Ų059.6 Ų59.60%031%0.305CS..Hα-helixtrans-62.2-50.4175.7-169.8-122.3000111.5Y21 E22 R23 C24 R28 T29 L30 V47 A50 Y56 I74 F75 I107Y21-F26 HydrophobicContact CD1-CB 4.27Å; Y21-F26 HydrophobicContact CD1-CD2 4.33Å; Y21-F26 HydrophobicContact CD2-CD2 4.37Å; Y21-F26 HydrophobicContact CG-CB 4.26Å; Y21-F26 HydrophobicContact CG-CD2 4.08Å; E22-F26 PolarHBondContact O-N 3.04Å; R23-F26 PolarHBondContact O-N 2.91Å; C24-F26 VanDerWaalsContact C-N 3.33Å; F26-R28 VanDerWaalsContact C-N 3.32Å; F26-R28 PolarHBondContact O-N 3.29Å; F26-T29 WeakPolarHBondContact O-CA 3.49Å; F26-T29 WeakPolarHBondContact O-CB 3.44Å; F26-T29 PolarHBondContact O-N 2.79Å; F26-L30 HydrophobicContact CD1-CD1 3.79Å; F26-L30 HydrophobicContact CD1-CG 4.28Å; F26-L30 HydrophobicContact CD2-CG 4.37Å; F26-L30 HydrophobicContact CE1-CD1 3.38Å; F26-L30 HydrophobicContact CE1-CD2 4.37Å; F26-L30 HydrophobicContact CE1-CG 4.01Å; F26-L30 HydrophobicContact CE2-CD1 4.35Å; F26-L30 HydrophobicContact CE2-CD2 3.95Å; F26-L30 HydrophobicContact CE2-CG 4.09Å; F26-L30 HydrophobicContact CG-CD1 4.44Å; F26-L30 HydrophobicContact CG-CG 4.45Å; F26-L30 HydrophobicContact CZ-CD1 3.71Å; F26-L30 HydrophobicContact CZ-CD2 3.81Å; F26-L30 HydrophobicContact CZ-CG 3.92Å; F26-L30 WeakPolarHBondContact O-CG 3.06Å; F26-L30 PolarHBondContact O-N 2.84Å; F26-V47 HydrophobicContact CD1-CG1 4.49Å; F26-V47 HydrophobicContact CD1-CG2 4.12Å; F26-A50 HydrophobicContact CD1-CB 4.21Å; F26-A50 HydrophobicContact CE1-CB 3.3Å; F26-A50 HydrophobicContact CZ-CB 3.6Å; F26-Y56 HydrophobicContact CB-CD1 4.45Å; F26-Y56 AromaticContact CD1-CD1 3.69Å; F26-Y56 HydrophobicContact CD1-CD1 3.69Å; F26-Y56 AromaticContact CD1-CE1 3.69Å; F26-Y56 HydrophobicContact CD1-CE1 3.69Å; F26-Y56 HydrophobicContact CE1-CD1 4.1Å; F26-Y56 HydrophobicContact CE1-CE1 4.15Å; F26-Y56 HydrophobicContact CG-CD1 4.1Å; F26-Y56 HydrophobicContact CG-CE1 4.44Å; F26-I74 HydrophobicContact CD2-CD1 3.73Å; F26-I74 HydrophobicContact CE2-CD1 3.36Å; F26-I74 HydrophobicContact CE2-CG1 4.06Å; F26-I74 HydrophobicContact CZ-CD1 3.94Å; F26-I74 HydrophobicContact CZ-CG1 4.17Å; F26-F75 HydrophobicContact CE1-CE1 4.39Å; F26-F75 HydrophobicContact CE2-CZ 4.41Å; F26-F75 AromaticContact CZ-CE1 3.62Å; F26-F75 HydrophobicContact CZ-CE1 3.62Å; F26-F75 AromaticContact CZ-CZ 3.83Å; F26-F75 HydrophobicContact CZ-CZ 3.83Å; F26-I107 HydrophobicContact CD2-CD1 4.06Å; F26-I107 HydrophobicContact CE2-CD1 3.62Å
27A98.9Very high96.5Very high0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-55.1-45178.800000112.6R23 L30 K31 V47 C146 V148R23-A27 WeakPolarHBondContact O-CB 3.42Å; R23-A27 PolarHBondContact O-N 3.39Å; A27-L30 PolarHBondContact O-N 3.47Å; A27-K31 WeakPolarHBondContact O-CB 3.41Å; A27-K31 PolarHBondContact O-N 3.49Å; A27-V47 HydrophobicContact CB-CG2 3.8Å; A27-C146 HydrophobicContact CB-CB 4.47Å; A27-V148 HydrophobicContact CB-CG2 4.45Å
28R98.8Very high97.7Very high105 Ų10554.1 Ų54.140%0.39628%0.28SS..Hα-helixtrans-66.4-39.3176.4-68.8176-162.6125.2-0.4112C24 E25 F26 K31 R32 C146 V148C24-R28 VanDerWaalsContact O-CG 3.3Å; C24-R28 WeakPolarHBondContact O-CG 3.37Å; C24-R28 PolarHBondContact O-N 3.17Å; C24-R28 VanDerWaalsContact O-N 3.09Å; E25-R28 PolarHBondContact O-N 3.22Å; F26-R28 VanDerWaalsContact C-N 3.32Å; F26-R28 PolarHBondContact O-N 3.29Å; R28-K31 PolarHBondContact O-N 2.94Å; R28-R32 WeakPolarHBondContact O-CB 3.41Å; R28-R32 WeakPolarHBondContact O-CG 3.49Å; R28-R32 PolarHBondContact O-N 3.44Å; R28-C146 VanDerWaalsContact CZ-O 3.26Å; R28-C146 PolarHBondContact NE-O 3.49Å; R28-C146 PolarHBondContact NH2-O 2.6Å; R28-V148 HydrophobicContact CB-CG1 4.34Å; R28-V148 HydrophobicContact CG-CG1 3.55Å
29T98.8Very high98.5Very high13 Ų1359.6 Ų59.68%0.0830%0.295CS..Hα-helixtrans-61.8-45.8177-59.40000111.2Y21 E25 F26 R32 N33 I107Y21-T29 HydrophobicContact CE1-CG2 4.4Å; E25-T29 WeakPolarHBondContact O-CB 3.5Å; E25-T29 PolarHBondContact O-N 3.24Å; E25-T29 PolarHBondContact O-OG1 2.63Å; F26-T29 WeakPolarHBondContact O-CA 3.49Å; F26-T29 WeakPolarHBondContact O-CB 3.44Å; F26-T29 PolarHBondContact O-N 2.79Å; T29-R32 PolarHBondContact O-N 2.62Å; T29-R32 PolarHBondContact OG1-NH2 3.36Å; T29-N33 WeakPolarHBondContact O-CB 3.4Å; T29-N33 PolarHBondContact O-N 3.46Å; T29-N33 VanDerWaalsContact O-N 3.09Å; T29-N33 PolarHBondContact O-ND2 3.5Å; T29-I107 HydrophobicContact CG2-CD1 3.93Å; T29-I107 HydrophobicContact CG2-CG1 4.29Å
30L98.9Very high98.6Very high0 Ų060.4 Ų60.40%032%0.32CS..Hα-helixtrans-62.6-45.2175.3-68.3-176.3000112.5F26 A27 R32 N33 G34 M35 L43 W46 V47 F75 I111F26-L30 HydrophobicContact CD1-CD1 3.79Å; F26-L30 HydrophobicContact CD1-CG 4.28Å; F26-L30 HydrophobicContact CD2-CG 4.37Å; F26-L30 HydrophobicContact CE1-CD1 3.38Å; F26-L30 HydrophobicContact CE1-CD2 4.37Å; F26-L30 HydrophobicContact CE1-CG 4.01Å; F26-L30 HydrophobicContact CE2-CD1 4.35Å; F26-L30 HydrophobicContact CE2-CD2 3.95Å; F26-L30 HydrophobicContact CE2-CG 4.09Å; F26-L30 HydrophobicContact CG-CD1 4.44Å; F26-L30 HydrophobicContact CG-CG 4.45Å; F26-L30 HydrophobicContact CZ-CD1 3.71Å; F26-L30 HydrophobicContact CZ-CD2 3.81Å; F26-L30 HydrophobicContact CZ-CG 3.92Å; F26-L30 WeakPolarHBondContact O-CG 3.06Å; F26-L30 PolarHBondContact O-N 2.84Å; A27-L30 PolarHBondContact O-N 3.47Å; L30-R32 PolarHBondContact O-N 2.9Å; L30-N33 CarbonylContact O-C 3.45Å; L30-N33 PolarHBondContact O-N 2.87Å; L30-N33 VanDerWaalsContact O-N 3.16Å; L30-G34 PolarHBondContact O-N 3.38Å; L30-M35 HydrophobicContact CB-CB 3.99Å; L30-M35 HydrophobicContact CB-CG 4.4Å; L30-M35 HydrophobicContact CD2-CB 4.38Å; L30-M35 HydrophobicContact CD2-CE 4.18Å; L30-M35 HydrophobicContact CD2-CG 4.03Å; L30-M35 WeakPolarHBondContact O-CB 3.44Å; L30-M35 PolarHBondContact O-N 3.3Å; L30-L43 HydrophobicContact CB-CD1 3.56Å; L30-L43 HydrophobicContact CD1-CD1 4.13Å; L30-W46 HydrophobicContact CD1-CB 3.49Å; L30-W46 VanDerWaalsContact CD1-CB 3.49Å; L30-W46 HydrophobicContact CD1-CG 4.41Å; L30-V47 HydrophobicContact CD1-CG2 3.95Å; L30-F75 HydrophobicContact CD2-CZ 3.83Å; L30-I111 HydrophobicContact CD2-CD1 4.14Å; L30-I111 HydrophobicContact CD2-CG1 4.2Å
31K98.7Very high98.7Very high100 Ų10057.6 Ų57.644%0.43530%0.303SS..Hα-helixtrans-59.7-47.2177.2-175.3171.4177.4178.90111.5A27 R28 N33 G34 A36 L43 V148A27-K31 WeakPolarHBondContact O-CB 3.41Å; A27-K31 PolarHBondContact O-N 3.49Å; R28-K31 PolarHBondContact O-N 2.94Å; K31-N33 PolarHBondContact O-N 2.79Å; K31-G34 PolarHBondContact O-N 2.97Å; K31-A36 HydrophobicContact CG-CB 4.47Å; K31-L43 HydrophobicContact CB-CD2 4.14Å; K31-V148 HydrophobicContact CD-CB 3.79Å; K31-V148 HydrophobicContact CD-CG1 4.11Å; K31-V148 WeakPolarHBondContact CD-OXT 3.46Å; K31-V148 WeakPolarHBondContact CE-OXT 3.25Å; K31-V148 PolarHBondContact NZ-OXT 2.67Å
32R98.7Very high98.7Very high177 Ų17758.8 Ų58.867%0.66831%0.314SS*.Hα-helixtrans-59.3-32.6176.2-75.2-170.6-60.2-99.70112.9R28 T29 L30 G34R28-R32 WeakPolarHBondContact O-CB 3.41Å; R28-R32 WeakPolarHBondContact O-CG 3.49Å; R28-R32 PolarHBondContact O-N 3.44Å; T29-R32 PolarHBondContact O-N 2.62Å; T29-R32 PolarHBondContact OG1-NH2 3.36Å; L30-R32 PolarHBondContact O-N 2.9Å; R32-G34 VanDerWaalsContact C-N 3.29Å; R32-G34 PolarHBondContact O-N 3.25Å
33N98.7Very high98.7Very high52 Ų5252.6 Ų52.628%0.27829%0.286SS..THydrogen-bonded Turntrans-88.913.2178.1-77-80.1000113.7T29 L30 K31 M35 I111 K115T29-N33 WeakPolarHBondContact O-CB 3.4Å; T29-N33 PolarHBondContact O-N 3.46Å; T29-N33 VanDerWaalsContact O-N 3.09Å; T29-N33 PolarHBondContact O-ND2 3.5Å; L30-N33 CarbonylContact O-C 3.45Å; L30-N33 PolarHBondContact O-N 2.87Å; L30-N33 VanDerWaalsContact O-N 3.16Å; K31-N33 PolarHBondContact O-N 2.79Å; N33-M35 PolarHBondContact O-N 3Å; N33-I111 HydrophobicContact CB-CD1 3.75Å; N33-I111 HydrophobicContact CB-CG2 4.18Å; N33-K115 PolarHBondContact O-NZ 3.04Å
34G98.5Very high98.7Very high43 Ų4349.5 Ų49.544%0.44328%0.275SS..THydrogen-bonded Turntrans66.234.7174.600000113.8L30 K31 R32L30-G34 PolarHBondContact O-N 3.38Å; K31-G34 PolarHBondContact O-N 2.97Å; R32-G34 VanDerWaalsContact C-N 3.29Å; R32-G34 PolarHBondContact O-N 3.25Å
35M98.7Very high98.7Very high0 Ų049.6 Ų49.60%028%0.275CS..  trans-88.3-22.9175.5-70.1-78.1-82.200112.8L30 N33 G37 Y38 W46 F75 I111 A114 K115L30-M35 HydrophobicContact CB-CB 3.99Å; L30-M35 HydrophobicContact CB-CG 4.4Å; L30-M35 HydrophobicContact CD2-CB 4.38Å; L30-M35 HydrophobicContact CD2-CE 4.18Å; L30-M35 HydrophobicContact CD2-CG 4.03Å; L30-M35 WeakPolarHBondContact O-CB 3.44Å; L30-M35 PolarHBondContact O-N 3.3Å; N33-M35 PolarHBondContact O-N 3Å; M35-G37 PolarHBondContact O-N 3.09Å; M35-G37 VanDerWaalsContact O-N 3.1Å; M35-Y38 PolarHBondContact O-N 3.48Å; M35-Y38 VanDerWaalsContact O-N 3.15Å; M35-W46 HydrophobicContact CE-CD2 3.37Å; M35-W46 HydrophobicContact CE-CE3 3.66Å; M35-W46 HydrophobicContact CE-CG 3.9Å; M35-W46 HydrophobicContact CE-CH2 3.78Å; M35-W46 HydrophobicContact CE-CZ2 3.53Å; M35-W46 HydrophobicContact CE-CZ3 3.86Å; M35-W46 PolarHBondContact O-NE1 3.03Å; M35-W46 VanDerWaalsContact O-NE1 3.12Å; M35-W46 HydrophobicContact SD-CZ2 4.2Å; M35-F75 HydrophobicContact CE-CZ 4.05Å; M35-I111 HydrophobicContact CG-CG2 3.92Å; M35-I111 HydrophobicContact SD-CG2 3.8Å; M35-A114 HydrophobicContact CE-CB 4.29Å; M35-K115 HydrophobicContact SD-CD 4.25Å; M35-K115 VanDerWaalsContact SD-CE 3.6Å; M35-K115 HydrophobicContact SD-CG 3.65Å
36A98.6Very high98.7Very high50 Ų5046.5 Ų46.541%0.41326%0.26SS..THydrogen-bonded Turntrans-66.8107.9-18000000110.9K31 Y38 L43K31-A36 HydrophobicContact CG-CB 4.47Å; A36-Y38 VanDerWaalsContact C-N 3.31Å; A36-L43 HydrophobicContact CB-CB 3.91Å; A36-L43 HydrophobicContact CB-CD1 4.47Å
37G98.6Very high98.7Very high48 Ų4846.5 Ų46.550%0.49526%0.26SS..THydrogen-bonded Turntrans82.93.3-177.700000114.2M35 Y39 G40 V41M35-G37 PolarHBondContact O-N 3.09Å; M35-G37 VanDerWaalsContact O-N 3.1Å; G37-Y39 PolarHBondContact O-N 3.36Å; G37-G40 PolarHBondContact O-N 2.97Å; G37-V41 CarbonylContact C-O 3.52Å; G37-V41 WeakPolarHBondContact CA-O 3.47Å; G37-V41 PolarHBondContact N-O 3.44Å
38Y98.7Very high98.7Very high63 Ų6346.5 Ų46.525%0.24726%0.26CS..G310 helixtrans-62.2121.2-179.4-176.1-91.1000110.4M35 A36 G40 V41 K115 V118 R119M35-Y38 PolarHBondContact O-N 3.48Å; M35-Y38 VanDerWaalsContact O-N 3.15Å; A36-Y38 VanDerWaalsContact C-N 3.31Å; Y38-G40 PolarHBondContact O-N 3.48Å; Y38-V41 PolarHBondContact N-O 3.12Å; Y38-V41 WeakPolarHBondContact O-CB 3.49Å; Y38-V41 PolarHBondContact O-N 3.34Å; Y38-V41 VanDerWaalsContact O-N 3.08Å; Y38-K115 HydrophobicContact CD1-CB 4.15Å; Y38-K115 HydrophobicContact CD1-CD 4.37Å; Y38-K115 HydrophobicContact CD1-CG 3.72Å; Y38-K115 HydrophobicContact CD2-CD 4.09Å; Y38-K115 HydrophobicContact CD2-CG 4.33Å; Y38-K115 HydrophobicContact CE1-CB 3.48Å; Y38-K115 VanDerWaalsContact CE1-CB 3.48Å; Y38-K115 HydrophobicContact CE1-CD 4.15Å; Y38-K115 HydrophobicContact CE1-CG 3.54Å; Y38-K115 HydrophobicContact CE2-CD 3.85Å; Y38-K115 HydrophobicContact CE2-CG 4.18Å; Y38-K115 HydrophobicContact CG-CD 4.34Å; Y38-K115 HydrophobicContact CG-CG 4.11Å; Y38-V118 HydrophobicContact CD1-CG2 3.75Å; Y38-V118 HydrophobicContact CE1-CG2 3.76Å; Y38-R119 HydrophobicContact CE1-CG 4.42Å; Y38-R119 WeakPolarHBondContact OH-CD 3.44Å
39Y98.3Very high98.7Very high148 Ų14841.5 Ų41.558%0.5824%0.241SC*.G310 helixtrans52.835.8-177.9-151.5-102.1000113.4G37 V41 V118 R119G37-Y39 PolarHBondContact O-N 3.36Å; Y39-V41 VanDerWaalsContact C-N 3.29Å; Y39-V41 PolarHBondContact O-N 3.25Å; Y39-V118 WeakPolarHBondContact CD1-O 3.42Å; Y39-V118 WeakPolarHBondContact CE1-O 3.5Å; Y39-R119 HydrophobicContact CD2-CG 3.92Å; Y39-R119 HydrophobicContact CE2-CG 4.07Å; Y39-R119 HydrophobicContact CG-CG 4.29Å
40G98.1Very high98.7Very high75 Ų7540.9 Ų40.977%0.77324%0.237SC*.G310 helixtrans79.92.9178.900000115.2G37 Y38G37-G40 PolarHBondContact O-N 2.97Å; Y38-G40 PolarHBondContact O-N 3.48Å
41V98.8Very high98.7Very high8 Ų843.4 Ų43.45%0.04825%0.249CC..  trans-90.7123.2177.8-178.30000110.2G37 Y38 Y39 D45 W46 V118 I124G37-V41 CarbonylContact C-O 3.52Å; G37-V41 WeakPolarHBondContact CA-O 3.47Å; G37-V41 PolarHBondContact N-O 3.44Å; Y38-V41 PolarHBondContact N-O 3.12Å; Y38-V41 WeakPolarHBondContact O-CB 3.49Å; Y38-V41 PolarHBondContact O-N 3.34Å; Y38-V41 VanDerWaalsContact O-N 3.08Å; Y39-V41 VanDerWaalsContact C-N 3.29Å; Y39-V41 PolarHBondContact O-N 3.25Å; V41-D45 HydrophobicContact CG1-CB 3.65Å; V41-W46 HydrophobicContact CB-CZ2 4.17Å; V41-W46 HydrophobicContact CG1-CD2 3.9Å; V41-W46 VanDerWaalsContact CG1-CE2 3.46Å; V41-W46 HydrophobicContact CG1-CG 4.09Å; V41-W46 HydrophobicContact CG1-CZ2 3.96Å; V41-W46 VanDerWaalsContact CG1-NE1 3.33Å; V41-W46 HydrophobicContact CG2-CZ2 4.42Å; V41-V118 HydrophobicContact CG2-CB 4.37Å; V41-V118 HydrophobicContact CG2-CG1 4.11Å; V41-I124 HydrophobicContact CG1-CD1 3.4Å; V41-I124 VanDerWaalsContact CG1-CD1 3.4Å; V41-I124 HydrophobicContact CG2-CB 3.99Å; V41-I124 HydrophobicContact CG2-CD1 4.34Å; V41-I124 HydrophobicContact CG2-CG2 4.27Å
42S98.7Very high98.7Very high47 Ų4742.2 Ų42.233%0.32925%0.245SC..  trans-72.6162.4-178.181.40000112.3A44 D45 W46S42-A44 PolarHBondContact O-N 3.19Å; S42-A44 PolarHBondContact OG-N 3.24Å; S42-D45 VanDerWaalsContact CB-OD2 3.25Å; S42-D45 WeakPolarHBondContact CB-OD2 3.33Å; S42-D45 PolarHBondContact N-OD2 2.83Å; S42-D45 WeakPolarHBondContact O-CB 3.41Å; S42-D45 PolarHBondContact O-N 3Å; S42-D45 PolarHBondContact OG-N 2.7Å; S42-D45 PolarHBondContact OG-OD2 3.39Å; S42-W46 PolarHBondContact O-N 3.23Å
43L98.9Very high98.7Very high12 Ų1235.8 Ų35.86%0.06322%0.222CC..Hα-helixtrans-60.5-38.4172.7-177.659.1000111.8L30 K31 A36 D45 W46 V47 I143 V148L30-L43 HydrophobicContact CB-CD1 3.56Å; L30-L43 HydrophobicContact CD1-CD1 4.13Å; K31-L43 HydrophobicContact CB-CD2 4.14Å; A36-L43 HydrophobicContact CB-CB 3.91Å; A36-L43 HydrophobicContact CB-CD1 4.47Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.46Å; L43-W46 PolarHBondContact O-N 2.73Å; L43-V47 HydrophobicContact CD1-CG2 4.38Å; L43-V47 HydrophobicContact CG-CG2 4.49Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.5Å; L43-V47 PolarHBondContact O-N 3.25Å; L43-V47 VanDerWaalsContact O-N 3.1Å; L43-I143 HydrophobicContact CB-CG2 4.38Å; L43-I143 HydrophobicContact CD2-CG2 4.08Å; L43-I143 HydrophobicContact CG-CG2 3.91Å; L43-V148 HydrophobicContact CD2-CB 3.71Å; L43-V148 HydrophobicContact CD2-CG1 4.38Å; L43-V148 HydrophobicContact CD2-CG2 3.52Å
44A98.9Very high98.7Very high8 Ų834 Ų347%0.06621%0.214CC..Hα-helixtrans-67.5-34.1179.800000112.2S42 V47 C48 L139 I143S42-A44 PolarHBondContact O-N 3.19Å; S42-A44 PolarHBondContact OG-N 3.24Å; A44-V47 PolarHBondContact O-N 2.74Å; A44-C48 VanDerWaalsContact O-CB 3.26Å; A44-C48 WeakPolarHBondContact O-CB 3.42Å; A44-C48 PolarHBondContact O-N 2.94Å; A44-L139 HydrophobicContact CB-CB 3.65Å; A44-L139 WeakPolarHBondContact CB-O 3.48Å; A44-I143 HydrophobicContact CB-CD1 4.37Å; A44-I143 HydrophobicContact CB-CG1 4.34Å; A44-I143 HydrophobicContact CB-CG2 4.1Å
45D98.9Very high98.7Very high27 Ų2736.6 Ų36.614%0.14422%0.218CC..Hα-helixtrans-59.8-48.3172.5-74.9-66000111.7V41 S42 L43 V47 C48 L49 I124 W130 L139V41-D45 HydrophobicContact CG1-CB 3.65Å; S42-D45 VanDerWaalsContact CB-OD2 3.25Å; S42-D45 WeakPolarHBondContact CB-OD2 3.33Å; S42-D45 PolarHBondContact N-OD2 2.83Å; S42-D45 WeakPolarHBondContact O-CB 3.41Å; S42-D45 PolarHBondContact O-N 3Å; S42-D45 PolarHBondContact OG-N 2.7Å; S42-D45 PolarHBondContact OG-OD2 3.39Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.46Å; D45-V47 VanDerWaalsContact C-N 3.34Å; D45-V47 PolarHBondContact O-N 3.42Å; D45-C48 PolarHBondContact O-N 3.36Å; D45-L49 VanDerWaalsContact O-CB 3.27Å; D45-L49 WeakPolarHBondContact O-CB 3.25Å; D45-L49 PolarHBondContact O-N 3.08Å; D45-I124 HydrophobicContact CB-CD1 3.88Å; D45-W130 WeakPolarHBondContact OD1-CZ2 3.39Å; D45-W130 PolarHBondContact OD1-NE1 3.21Å; D45-L139 HydrophobicContact CB-CD1 4.45Å; D45-L139 VanDerWaalsContact OD1-CD1 3.25Å; D45-L139 WeakPolarHBondContact OD1-CD1 3.45Å
46W98.9Very high98.7Very high0 Ų036.9 Ų36.90%022%0.219CC..Hα-helixtrans-63-40.7178.6-71119.4000112.9L30 M35 V41 S42 L43 L49 A50 F75 A114 V118 W127L30-W46 HydrophobicContact CD1-CB 3.49Å; L30-W46 VanDerWaalsContact CD1-CB 3.49Å; L30-W46 HydrophobicContact CD1-CG 4.41Å; M35-W46 HydrophobicContact CE-CD2 3.37Å; M35-W46 HydrophobicContact CE-CE3 3.66Å; M35-W46 HydrophobicContact CE-CG 3.9Å; M35-W46 HydrophobicContact CE-CH2 3.78Å; M35-W46 HydrophobicContact CE-CZ2 3.53Å; M35-W46 HydrophobicContact CE-CZ3 3.86Å; M35-W46 PolarHBondContact O-NE1 3.03Å; M35-W46 VanDerWaalsContact O-NE1 3.12Å; M35-W46 HydrophobicContact SD-CZ2 4.2Å; V41-W46 HydrophobicContact CB-CZ2 4.17Å; V41-W46 HydrophobicContact CG1-CD2 3.9Å; V41-W46 VanDerWaalsContact CG1-CE2 3.46Å; V41-W46 HydrophobicContact CG1-CG 4.09Å; V41-W46 HydrophobicContact CG1-CZ2 3.96Å; V41-W46 VanDerWaalsContact CG1-NE1 3.33Å; V41-W46 HydrophobicContact CG2-CZ2 4.42Å; S42-W46 PolarHBondContact O-N 3.23Å; L43-W46 PolarHBondContact O-N 2.73Å; W46-L49 HydrophobicContact CE3-CD1 4.24Å; W46-L49 HydrophobicContact CZ3-CD1 4.23Å; W46-L49 PolarHBondContact O-N 3.03Å; W46-A50 PolarHBondContact O-N 2.69Å; W46-A50 VanDerWaalsContact O-N 3.08Å; W46-F75 HydrophobicContact CE3-CE1 4.14Å; W46-A114 HydrophobicContact CH2-CB 3.97Å; W46-A114 HydrophobicContact CZ3-CB 3.97Å; W46-V118 HydrophobicContact CH2-CB 4.46Å; W46-V118 HydrophobicContact CH2-CG1 3.34Å; W46-V118 HydrophobicContact CH2-CG2 4.31Å; W46-V118 HydrophobicContact CZ2-CG1 3.72Å; W46-V118 HydrophobicContact CZ2-CG2 4.14Å; W46-V118 HydrophobicContact CZ3-CG1 4.34Å; W46-W127 HydrophobicContact CH2-CH2 4.23Å; W46-W127 HydrophobicContact CH2-CZ3 4.49Å; W46-W127 HydrophobicContact CZ3-CH2 4.06Å; W46-W127 HydrophobicContact CZ3-CZ3 4.39Å
47V98.9Very high98.7Very high0 Ų036.8 Ų36.80%021%0.211CC..Hα-helixtrans-71.8-33.6178.9-179.50000111.2R23 F26 A27 L30 L43 A44 D45 Q51 Y56 Y142R23-V47 HydrophobicContact CG-CG1 3.84Å; F26-V47 HydrophobicContact CD1-CG1 4.49Å; F26-V47 HydrophobicContact CD1-CG2 4.12Å; A27-V47 HydrophobicContact CB-CG2 3.8Å; L30-V47 HydrophobicContact CD1-CG2 3.95Å; L43-V47 HydrophobicContact CD1-CG2 4.38Å; L43-V47 HydrophobicContact CG-CG2 4.49Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.5Å; L43-V47 PolarHBondContact O-N 3.25Å; L43-V47 VanDerWaalsContact O-N 3.1Å; A44-V47 PolarHBondContact O-N 2.74Å; D45-V47 VanDerWaalsContact C-N 3.34Å; D45-V47 PolarHBondContact O-N 3.42Å; V47-Q51 WeakPolarHBondContact O-CB 3.24Å; V47-Q51 PolarHBondContact O-N 3.28Å; V47-Y56 HydrophobicContact CG1-CE1 4.08Å; V47-Y56 WeakPolarHBondContact CG1-OH 3.2Å; V47-Y56 WeakPolarHBondContact O-CE1 3.49Å; V47-Y56 PolarHBondContact O-OH 3.5Å; V47-Y142 HydrophobicContact CG1-CD1 4.19Å; V47-Y142 HydrophobicContact CG1-CG 4.48Å; V47-Y142 WeakPolarHBondContact CG1-O 3.4Å
48C98.9Very high98.7Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-68.3-46.2171.6-177.40000111.8A44 D45 A50 Q51 H52 C134 L139 Y142A44-C48 VanDerWaalsContact O-CB 3.26Å; A44-C48 WeakPolarHBondContact O-CB 3.42Å; A44-C48 PolarHBondContact O-N 2.94Å; D45-C48 PolarHBondContact O-N 3.36Å; C48-A50 PolarHBondContact O-N 3.14Å; C48-Q51 WeakPolarHBondContact O-CB 3.48Å; C48-Q51 PolarHBondContact O-N 2.86Å; C48-H52 PolarHBondContact O-CD2 3.27Å; C48-H52 VanDerWaalsContact O-CD2 3.27Å; C48-H52 PolarHBondContact O-N 3.09Å; C48-C134 HydrophobicContact CB-CB 3.89Å; C48-C134 WeakPolarHBondContact CB-SG 3.1Å; C48-C134 VanDerWaalsContact SG-CA 3.55Å; C48-C134 WeakPolarHBondContact SG-CB 3.42Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.16Å; C48-L139 HydrophobicContact CB-CD1 4.14Å; C48-L139 HydrophobicContact CB-CD2 4.19Å; C48-Y142 HydrophobicContact CB-CD1 4.05Å; C48-Y142 HydrophobicContact CB-CD2 3.71Å; C48-Y142 HydrophobicContact CB-CE1 3.94Å; C48-Y142 HydrophobicContact CB-CE2 3.6Å; C48-Y142 HydrophobicContact CB-CG 3.93Å; C48-Y142 WeakPolarHBondContact SG-CE2 3.37Å; C48-Y142 PolarHBondContact SG-OH 3.16Å; C48-Y142 VanDerWaalsContact SG-OH 3.4Å
49L98.9Very high98.7Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-54.6-55.5177.9-177.2160.1000110.6D45 W46 Q51 H52 E53 F75 I124 W127 W130D45-L49 VanDerWaalsContact O-CB 3.27Å; D45-L49 WeakPolarHBondContact O-CB 3.25Å; D45-L49 PolarHBondContact O-N 3.08Å; W46-L49 HydrophobicContact CE3-CD1 4.24Å; W46-L49 HydrophobicContact CZ3-CD1 4.23Å; W46-L49 PolarHBondContact O-N 3.03Å; L49-Q51 VanDerWaalsContact C-N 3.26Å; L49-Q51 PolarHBondContact O-N 3Å; L49-H52 PolarHBondContact O-N 3.02Å; L49-E53 HydrophobicContact CD2-CB 4.47Å; L49-E53 HydrophobicContact CD2-CG 3.77Å; L49-E53 HydrophobicContact CG-CG 4.16Å; L49-E53 WeakPolarHBondContact O-CB 3.39Å; L49-E53 VanDerWaalsContact O-CG 3.25Å; L49-E53 WeakPolarHBondContact O-CG 3.49Å; L49-E53 PolarHBondContact O-N 3.45Å; L49-F75 HydrophobicContact CD2-CB 4.42Å; L49-F75 HydrophobicContact CD2-CD1 3.82Å; L49-I124 HydrophobicContact CD1-CD1 3.86Å; L49-I124 HydrophobicContact CD1-CG1 3.82Å; L49-W127 HydrophobicContact CD1-CB 3.96Å; L49-W127 HydrophobicContact CD1-CD2 3.63Å; L49-W127 HydrophobicContact CD1-CE3 3.88Å; L49-W127 HydrophobicContact CD1-CG 3.67Å; L49-W127 HydrophobicContact CD1-CZ3 4.47Å; L49-W127 HydrophobicContact CD2-CG 4.34Å; L49-W127 HydrophobicContact CG-CB 4.31Å; L49-W127 HydrophobicContact CG-CD2 4.49Å; L49-W127 HydrophobicContact CG-CG 4.12Å; L49-W130 HydrophobicContact CB-CB 4.28Å; L49-W130 HydrophobicContact CD1-CB 4.09Å; L49-W130 HydrophobicContact CD1-CG 4.42Å; L49-W130 HydrophobicContact CG-CB 4.13Å
50A98.9Very high98.7Very high0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-65.6-28-177.600000113.6F26 W46 C48 S54 N55 Y56 I74 F75F26-A50 HydrophobicContact CD1-CB 4.21Å; F26-A50 HydrophobicContact CE1-CB 3.3Å; F26-A50 HydrophobicContact CZ-CB 3.6Å; W46-A50 PolarHBondContact O-N 2.69Å; W46-A50 VanDerWaalsContact O-N 3.08Å; C48-A50 PolarHBondContact O-N 3.14Å; A50-S54 PolarHBondContact O-N 3.36Å; A50-S54 VanDerWaalsContact O-N 3.1Å; A50-S54 PolarHBondContact O-OG 3.2Å; A50-N55 PolarHBondContact O-N 3Å; A50-Y56 HydrophobicContact CB-CD1 3.71Å; A50-Y56 HydrophobicContact CB-CE1 3.88Å; A50-Y56 PolarHBondContact O-N 3.1Å; A50-I74 HydrophobicContact CB-CG1 4.12Å; A50-F75 HydrophobicContact CB-CD1 4.35Å; A50-F75 HydrophobicContact CB-CE1 4.41Å
51Q98.9Very high98.7Very high54 Ų5429.6 Ų29.625%0.25216%0.158SC..Hα-helixtrans-60.9-47.8173.417958.382.300111.2V47 C48 L49 N55 Y56 Y142V47-Q51 WeakPolarHBondContact O-CB 3.24Å; V47-Q51 PolarHBondContact O-N 3.28Å; C48-Q51 WeakPolarHBondContact O-CB 3.48Å; C48-Q51 PolarHBondContact O-N 2.86Å; L49-Q51 VanDerWaalsContact C-N 3.26Å; L49-Q51 PolarHBondContact O-N 3Å; Q51-N55 PolarHBondContact NE2-OD1 3.41Å; Q51-N55 VanDerWaalsContact O-CA 3.28Å; Q51-N55 WeakPolarHBondContact O-CA 3.31Å; Q51-N55 PolarHBondContact O-N 3.45Å; Q51-Y56 HydrophobicContact CB-CE1 4.05Å; Q51-Y56 HydrophobicContact CB-CE2 4.26Å; Q51-Y56 WeakPolarHBondContact CB-OH 3.45Å; Q51-Y142 HydrophobicContact CB-CE1 4.01Å; Q51-Y142 HydrophobicContact CG-CE1 4.08Å
52H98.8Very high98.7Very high74 Ų7432.9 Ų32.934%0.34318%0.175SC..Hα-helixtrans-85.2-25.3-174.5-70.5-72.5000113.1C48 L49 A129 H133 Y142C48-H52 PolarHBondContact O-CD2 3.27Å; C48-H52 VanDerWaalsContact O-CD2 3.27Å; C48-H52 PolarHBondContact O-N 3.09Å; L49-H52 PolarHBondContact O-N 3.02Å; H52-A129 HydrophobicContact CB-CB 3.93Å; H52-H133 HydrophobicContact CB-CB 4.26Å; H52-H133 VanDerWaalsContact CD2-CB 3.44Å; H52-H133 WeakPolarHBondContact CD2-CB 3.35Å; H52-H133 AromaticContact CE1-CG 3.86Å; H52-H133 AromaticContact CG-CD2 3.92Å; H52-H133 AromaticContact CG-CG 3.7Å; H52-H133 AromaticContact ND1-CD2 3.86Å; H52-H133 AromaticContact ND1-CG 3.53Å; H52-H133 AromaticContact ND1-ND1 3.85Å; H52-Y142 PolarHBondContact NE2-OH 3.48Å
53E98.7Very high98.6Very high42 Ų4236.3 Ų36.320%0.19618%0.182CC..Hα-helixtrans-78.6-40.3176.7-70.6-64.3173.600112.3L49 Q76 A129L49-E53 HydrophobicContact CD2-CB 4.47Å; L49-E53 HydrophobicContact CD2-CG 3.77Å; L49-E53 HydrophobicContact CG-CG 4.16Å; L49-E53 WeakPolarHBondContact O-CB 3.39Å; L49-E53 VanDerWaalsContact O-CG 3.25Å; L49-E53 WeakPolarHBondContact O-CG 3.49Å; L49-E53 PolarHBondContact O-N 3.45Å; E53-Q76 HydrophobicContact CB-CB 3.97Å; E53-Q76 HydrophobicContact CB-CG 3.68Å; E53-Q76 HydrophobicContact CG-CB 4.31Å; E53-Q76 WeakPolarHBondContact O-CG 3.3Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.25Å; E53-A129 VanDerWaalsContact CD-CB 3.41Å; E53-A129 HydrophobicContact CG-CB 3.98Å; E53-A129 WeakPolarHBondContact OE1-CB 3.36Å; E53-A129 PolarHBondContact OE1-N 3.27Å
54S98.6Very high98.6Very high14 Ų1437.9 Ų37.910%0.09819%0.19CC..Hα-helixtrans-142.70.1-170.667.50000115.7A50 Y56 N57 I74A50-S54 PolarHBondContact O-N 3.36Å; A50-S54 VanDerWaalsContact O-N 3.1Å; A50-S54 PolarHBondContact O-OG 3.2Å; S54-Y56 PolarHBondContact O-N 3.08Å; S54-Y56 PolarHBondContact OG-N 3.5Å; S54-N57 WeakPolarHBondContact O-CB 3.44Å; S54-N57 PolarHBondContact O-N 3.34Å; S54-N57 VanDerWaalsContact O-N 3.08Å; S54-N57 PolarHBondContact OG-N 2.83Å; S54-I74 WeakPolarHBondContact OG-CA 3.12Å; S54-I74 PolarHBondContact OG-O 2.87Å
55N98.5Very high98.5Very high98 Ų9847.9 Ų47.952%0.52423%0.226SC..THydrogen-bonded Turntrans5040.9-165.1-170.544.2000111.5V20 A50 Q51 N57V20-N55 WeakPolarHBondContact CG1-O 3.29Å; A50-N55 PolarHBondContact O-N 3Å; Q51-N55 PolarHBondContact NE2-OD1 3.41Å; Q51-N55 VanDerWaalsContact O-CA 3.28Å; Q51-N55 WeakPolarHBondContact O-CA 3.31Å; Q51-N55 PolarHBondContact O-N 3.45Å; N55-N57 PolarHBondContact O-N 3.05Å
56Y98.7Very high98.4Very high7 Ų750.8 Ų50.83%0.02726%0.262CS..THydrogen-bonded Turntrans61.719.3-177.6-48.3-59.1000116.2V20 Y21 R23 F26 V47 A50 Q51 S54 I74V20-Y56 WeakPolarHBondContact CA-O 3.49Å; Y21-Y56 PolarHBondContact N-O 2.84Å; Y21-Y56 VanDerWaalsContact O-CB 3.25Å; Y21-Y56 WeakPolarHBondContact O-CB 3.16Å; R23-Y56 HydrophobicContact CB-CE2 4.02Å; R23-Y56 HydrophobicContact CG-CE2 4.43Å; F26-Y56 HydrophobicContact CB-CD1 4.45Å; F26-Y56 AromaticContact CD1-CD1 3.69Å; F26-Y56 HydrophobicContact CD1-CD1 3.69Å; F26-Y56 AromaticContact CD1-CE1 3.69Å; F26-Y56 HydrophobicContact CD1-CE1 3.69Å; F26-Y56 HydrophobicContact CE1-CD1 4.1Å; F26-Y56 HydrophobicContact CE1-CE1 4.15Å; F26-Y56 HydrophobicContact CG-CD1 4.1Å; F26-Y56 HydrophobicContact CG-CE1 4.44Å; V47-Y56 HydrophobicContact CG1-CE1 4.08Å; V47-Y56 WeakPolarHBondContact CG1-OH 3.2Å; V47-Y56 WeakPolarHBondContact O-CE1 3.49Å; V47-Y56 PolarHBondContact O-OH 3.5Å; A50-Y56 HydrophobicContact CB-CD1 3.71Å; A50-Y56 HydrophobicContact CB-CE1 3.88Å; A50-Y56 PolarHBondContact O-N 3.1Å; Q51-Y56 HydrophobicContact CB-CE1 4.05Å; Q51-Y56 HydrophobicContact CB-CE2 4.26Å; Q51-Y56 WeakPolarHBondContact CB-OH 3.45Å; S54-Y56 PolarHBondContact O-N 3.08Å; S54-Y56 PolarHBondContact OG-N 3.5Å; Y56-I74 WeakPolarHBondContact O-CD1 3.26Å
57N98.5Very high98.3Very high47 Ų4753.1 Ų53.125%0.25128%0.275SS..BIsolated β-bridgetrans-84.1115.7178.7-176.3-9.4000111.2A18 V20 S54 N55 R59 A60 I74A18-N57 WeakPolarHBondContact CB-OD1 3.3Å; V20-N57 HydrophobicContact CG2-CB 4.13Å; S54-N57 WeakPolarHBondContact O-CB 3.44Å; S54-N57 PolarHBondContact O-N 3.34Å; S54-N57 VanDerWaalsContact O-N 3.08Å; S54-N57 PolarHBondContact OG-N 2.83Å; N55-N57 PolarHBondContact O-N 3.05Å; N57-R59 PolarHBondContact O-N 2.95Å; N57-R59 VanDerWaalsContact O-N 3.15Å; N57-R59 PolarHBondContact OD1-N 2.94Å; N57-A60 HydrophobicContact CB-CB 4.25Å; N57-A60 PolarHBondContact O-N 2.92Å; N57-I74 WeakPolarHBondContact O-CA 3.33Å
58T98.5Very high98.2Very high1 Ų158.1 Ų58.11%0.00630%0.298CS..THydrogen-bonded Turntrans-62.5-18.7179.554.90000114.5K19 Y21 G73 I74 L103 D105 I107K19-T58 HydrophobicContact CB-CG2 4.07Å; K19-T58 HydrophobicContact CG-CG2 4.19Å; K19-T58 PolarHBondContact N-OG1 3.28Å; K19-T58 WeakPolarHBondContact O-CB 3.09Å; K19-T58 WeakPolarHBondContact O-CG2 3.38Å; K19-T58 PolarHBondContact O-N 2.96Å; K19-T58 PolarHBondContact O-OG1 2.87Å; Y21-T58 HydrophobicContact CD2-CG2 3.89Å; Y21-T58 HydrophobicContact CE2-CG2 3.65Å; T58-G73 WeakPolarHBondContact O-CA 3.5Å; T58-I74 HydrophobicContact CG2-CD1 4.35Å; T58-L103 WeakPolarHBondContact O-CA 3.38Å; T58-D105 PolarHBondContact OG1-OD1 3.08Å; T58-I107 HydrophobicContact CG2-CG2 3.6Å
59R97.8Very high98.2Very high81 Ų8158.1 Ų58.131%0.30630%0.298SS..THydrogen-bonded Turntrans-115.215.7-178.1-51.9-165.5-171.4172.88.1114.1A16 Q17 A18 N57 D105A16-R59 PolarHBondContact O-NH1 3.15Å; Q17-R59 PolarHBondContact O-NH2 2.83Å; A18-R59 HydrophobicContact CB-CB 3.67Å; A18-R59 HydrophobicContact CB-CG 3.59Å; N57-R59 PolarHBondContact O-N 2.95Å; N57-R59 VanDerWaalsContact O-N 3.15Å; N57-R59 PolarHBondContact OD1-N 2.94Å; R59-D105 IonicContact CZ-OD1 3.28Å; R59-D105 IonicContact NE-OD1 3.87Å; R59-D105 PolarHBondContact NE-OD1 2.89Å; R59-D105 IonicContact NH2-OD1 2.74Å; R59-D105 PolarHBondContact NH2-OD1 3.31Å; R59-D105 IonicContact NH2-OD2 3.49Å; R59-D105 PolarHBondContact NH2-OD2 2.94Å
60A98.4Very high98.2Very high18 Ų1858.4 Ų58.415%0.14930%0.3CS..  trans-61.2138.317400000110.8N57 G73 Q76N57-A60 HydrophobicContact CB-CB 4.25Å; N57-A60 PolarHBondContact O-N 2.92Å; A60-G73 PolarHBondContact O-N 3.35Å; A60-Q76 PolarHBondContact O-NE2 2.75Å
61T98.4Very high98.2Very high84 Ų8459.4 Ų59.452%0.51531%0.305SS..EExtended strand (participates in β ladder)trans-138.4141.8172.5590000110.5D71 Y72 L103T61-D71 WeakPolarHBondContact CA-O 3.28Å; T61-Y72 HydrophobicContact CG2-CD1 4Å; T61-Y72 HydrophobicContact CG2-CE1 4.32Å; T61-L103 HydrophobicContact CG2-CD1 4.41Å; T61-L103 HydrophobicContact CG2-CD2 3.81Å
62N98.4Very high98.2Very high76 Ų7657.7 Ų57.741%0.40630%0.297SS..EExtended strand (participates in β ladder)trans-131.7123.6175.3174.948.3000110.5N64 T70 D71N62-N64 PolarHBondContact ND2-OD1 3.1Å; N62-T70 CarbonylContact O-C 3.53Å; N62-T70 VanDerWaalsContact O-CA 3.3Å; N62-T70 WeakPolarHBondContact O-CA 3.36Å; N62-D71 HydrophobicContact CB-CB 4.24Å; N62-D71 PolarHBondContact N-O 3.17Å; N62-D71 VanDerWaalsContact N-O 3.13Å; N62-D71 PolarHBondContact ND2-OD2 3.1Å; N62-D71 VanDerWaalsContact ND2-OD2 3.12Å; N62-D71 PolarHBondContact O-N 3.17Å
63Y98.4Very high98.2Very high119 Ų11954.1 Ų54.147%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-90.1124.6-179.3179.2-115.1000111.5R65 S69 T70Y63-R65 HydrophobicContact CD1-CG 3.89Å; Y63-R65 HydrophobicContact CE1-CB 4.41Å; Y63-R65 HydrophobicContact CE1-CG 3.75Å; Y63-S69 VanDerWaalsContact CD2-O 3.24Å; Y63-S69 WeakPolarHBondContact CD2-O 3.2Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.47Å
64N98Very high98.2Very high46 Ų4652.2 Ų52.225%0.24627%0.271CS..EExtended strand (participates in β ladder)trans-98.296.6-178.7-64.2-59000110.3N62 G66 D67 Q68 S69 D71 N78N62-N64 PolarHBondContact ND2-OD1 3.1Å; N64-G66 PolarHBondContact O-N 3.27Å; N64-D67 PolarHBondContact O-N 3.26Å; N64-Q68 WeakPolarHBondContact O-CA 3.49Å; N64-Q68 PolarHBondContact O-N 3.27Å; N64-S69 WeakPolarHBondContact CB-OG 3.49Å; N64-S69 PolarHBondContact N-O 2.99Å; N64-S69 PolarHBondContact ND2-OG 3.23Å; N64-S69 PolarHBondContact O-N 3.22Å; N64-D71 VanDerWaalsContact ND2-CG 3.29Å; N64-D71 PolarHBondContact ND2-OD1 3.27Å; N64-D71 PolarHBondContact ND2-OD2 3.15Å; N64-N78 PolarHBondContact ND2-ND2 3.26Å
65R96.9Very high98.2Very high218 Ų21851.6 Ų51.682%0.82327%0.267SS*.THydrogen-bonded Turntrans-58-32.7-176.8-68.3-177.7179.6162.41.7114Y63 D67Y63-R65 HydrophobicContact CD1-CG 3.89Å; Y63-R65 HydrophobicContact CE1-CB 4.41Å; Y63-R65 HydrophobicContact CE1-CG 3.75Å; R65-D67 VanDerWaalsContact C-N 3.34Å; R65-D67 PolarHBondContact O-N 2.87Å
66G96.4Very high98.2Very high87 Ų8747.6 Ų47.690%0.89725%0.245SC*.THydrogen-bonded Turntrans-64.7-35.2-173.400000113.8N64N64-G66 PolarHBondContact O-N 3.27Å
67D96.3Very high98.2Very high50 Ų5047.3 Ų47.327%0.26724%0.244SC..THydrogen-bonded Turntrans-125.88179.681.2-29.4000113.1N64 R65 S69 R80N64-D67 PolarHBondContact O-N 3.26Å; R65-D67 VanDerWaalsContact C-N 3.34Å; R65-D67 PolarHBondContact O-N 2.87Å; D67-S69 VanDerWaalsContact CG-OG 3.27Å; D67-S69 PolarHBondContact O-N 3Å; D67-S69 VanDerWaalsContact O-N 3.14Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.39Å; D67-S69 PolarHBondContact OD1-N 3.03Å; D67-S69 VanDerWaalsContact OD1-N 3.07Å; D67-S69 PolarHBondContact OD1-OG 3.15Å; D67-S69 WeakPolarHBondContact OD2-CB 3.45Å; D67-S69 PolarHBondContact OD2-OG 3.48Å; D67-R80 PolarHBondContact O-NH2 2.87Å; D67-R80 IonicContact OD2-CZ 3.39Å; D67-R80 IonicContact OD2-NE 3.78Å; D67-R80 PolarHBondContact OD2-NE 3.02Å; D67-R80 IonicContact OD2-NH2 2.96Å
68Q98Very high98.2Very high104 Ų10446.3 Ų46.349%0.48624%0.238SC..THydrogen-bonded Turntrans59.221.2180-52.7174.8-18.900113.7N64 P89N64-Q68 WeakPolarHBondContact O-CA 3.49Å; N64-Q68 PolarHBondContact O-N 3.27Å; Q68-P89 HydrophobicContact CB-CG 4.48Å; Q68-P89 VanDerWaalsContact OE1-CG 3.27Å
69S98.5Very high98.3Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-85.1169.6171.470.60000111.6Y63 N64 D67 N78Y63-S69 VanDerWaalsContact CD2-O 3.24Å; Y63-S69 WeakPolarHBondContact CD2-O 3.2Å; N64-S69 WeakPolarHBondContact CB-OG 3.49Å; N64-S69 PolarHBondContact N-O 2.99Å; N64-S69 PolarHBondContact ND2-OG 3.23Å; N64-S69 PolarHBondContact O-N 3.22Å; D67-S69 VanDerWaalsContact CG-OG 3.27Å; D67-S69 PolarHBondContact O-N 3Å; D67-S69 VanDerWaalsContact O-N 3.14Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.39Å; D67-S69 PolarHBondContact OD1-N 3.03Å; D67-S69 VanDerWaalsContact OD1-N 3.07Å; D67-S69 PolarHBondContact OD1-OG 3.15Å; D67-S69 WeakPolarHBondContact OD2-CB 3.45Å; D67-S69 PolarHBondContact OD2-OG 3.48Å; S69-N78 WeakPolarHBondContact CB-OD1 3.27Å; S69-N78 PolarHBondContact OG-ND2 3.32Å; S69-N78 PolarHBondContact OG-OD1 3.19Å
70T98.8Very high98.3Very high6 Ų643.8 Ų43.84%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-134.6138.4173.1-54.20000108.6N62 Y63 Y72 S79N62-T70 CarbonylContact O-C 3.53Å; N62-T70 VanDerWaalsContact O-CA 3.3Å; N62-T70 WeakPolarHBondContact O-CA 3.36Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.47Å; T70-Y72 WeakPolarHBondContact CB-OH 3.5Å; T70-Y72 HydrophobicContact CG2-CD2 4.19Å; T70-Y72 HydrophobicContact CG2-CE1 3.99Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.5Å; T70-Y72 WeakPolarHBondContact O-CD2 3.4Å; T70-Y72 WeakPolarHBondContact O-CE2 3.4Å; T70-S79 PolarHBondContact N-OG 2.88Å; T70-S79 PolarHBondContact O-N 3.08Å; T70-S79 PolarHBondContact O-OG 3.24Å
71D98.8Very high98.3Very high21 Ų2149 Ų4911%0.11225%0.245CC..EExtended strand (participates in β ladder)trans-87.9136.3170.4-54.2-49.5000109.8T61 N62 N64 Q76 N78T61-D71 WeakPolarHBondContact CA-O 3.28Å; N62-D71 HydrophobicContact CB-CB 4.24Å; N62-D71 PolarHBondContact N-O 3.17Å; N62-D71 VanDerWaalsContact N-O 3.13Å; N62-D71 PolarHBondContact ND2-OD2 3.1Å; N62-D71 VanDerWaalsContact ND2-OD2 3.12Å; N62-D71 PolarHBondContact O-N 3.17Å; N64-D71 VanDerWaalsContact ND2-CG 3.29Å; N64-D71 PolarHBondContact ND2-OD1 3.27Å; N64-D71 PolarHBondContact ND2-OD2 3.15Å; D71-Q76 HydrophobicContact CB-CB 3.83Å; D71-Q76 HydrophobicContact CB-CG 4.4Å; D71-N78 WeakPolarHBondContact OD1-CB 3.31Å; D71-N78 VanDerWaalsContact OD1-CG 3.31Å; D71-N78 PolarHBondContact OD1-ND2 2.89Å
72Y98.8Very high98.3Very high18 Ų1846.1 Ų46.17%0.07123%0.225CC..EExtended strand (participates in β ladder)trans-124.2136.3-172.9-67.5-92.6000113.5T61 T70 Q76 I77 D85 K87 C99 L103T61-Y72 HydrophobicContact CG2-CD1 4Å; T61-Y72 HydrophobicContact CG2-CE1 4.32Å; T70-Y72 WeakPolarHBondContact CB-OH 3.5Å; T70-Y72 HydrophobicContact CG2-CD2 4.19Å; T70-Y72 HydrophobicContact CG2-CE1 3.99Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.5Å; T70-Y72 WeakPolarHBondContact O-CD2 3.4Å; T70-Y72 WeakPolarHBondContact O-CE2 3.4Å; Y72-Q76 WeakPolarHBondContact O-CA 3.46Å; Y72-Q76 PolarHBondContact O-N 2.94Å; Y72-I77 PolarHBondContact N-O 3.01Å; Y72-I77 PolarHBondContact O-N 2.56Å; Y72-D85 HydrophobicContact CE2-CB 4.04Å; Y72-D85 WeakPolarHBondContact OH-CB 3.35Å; Y72-D85 PolarHBondContact OH-OD2 3.29Å; Y72-K87 WeakPolarHBondContact OH-CE 3.15Å; Y72-C99 HydrophobicContact CD1-CB 3.95Å; Y72-C99 HydrophobicContact CD2-CB 3.57Å; Y72-C99 HydrophobicContact CE1-CB 4.01Å; Y72-C99 HydrophobicContact CE2-CB 3.6Å; Y72-C99 HydrophobicContact CG-CB 3.76Å; Y72-L103 HydrophobicContact CD1-CD1 3.98Å; Y72-L103 HydrophobicContact CD1-CD2 4.15Å; Y72-L103 HydrophobicContact CD1-CG 4.12Å; Y72-L103 HydrophobicContact CE1-CD1 4.4Å
73G98.6Very high98.4Very high0 Ų042.5 Ų42.50%021%0.206CC..THydrogen-bonded Turntrans75.3-167.5164.800000114.8T58 A60 F75 Q76 L102T58-G73 WeakPolarHBondContact O-CA 3.5Å; A60-G73 PolarHBondContact O-N 3.35Å; G73-F75 PolarHBondContact O-N 3.44Å; G73-F75 VanDerWaalsContact O-N 3.11Å; G73-Q76 PolarHBondContact O-N 3.12Å; G73-Q76 PolarHBondContact O-NE2 3.33Å; G73-L102 VanDerWaalsContact CA-O 3.31Å; G73-L102 WeakPolarHBondContact CA-O 3.1Å
74I98.7Very high98.4Very high1 Ų140 Ų401%0.00520%0.2CC..THydrogen-bonded Turntrans-59.6-28.1-171.4-166.2156.8000114.3Y21 F26 A50 S54 Y56 N57 T58 I107 A110Y21-I74 HydrophobicContact CD2-CD1 3.81Å; Y21-I74 HydrophobicContact CE2-CD1 4.44Å; F26-I74 HydrophobicContact CD2-CD1 3.73Å; F26-I74 HydrophobicContact CE2-CD1 3.36Å; F26-I74 HydrophobicContact CE2-CG1 4.06Å; F26-I74 HydrophobicContact CZ-CD1 3.94Å; F26-I74 HydrophobicContact CZ-CG1 4.17Å; A50-I74 HydrophobicContact CB-CG1 4.12Å; S54-I74 WeakPolarHBondContact OG-CA 3.12Å; S54-I74 PolarHBondContact OG-O 2.87Å; Y56-I74 WeakPolarHBondContact O-CD1 3.26Å; N57-I74 WeakPolarHBondContact O-CA 3.33Å; T58-I74 HydrophobicContact CG2-CD1 4.35Å; I74-I107 HydrophobicContact CG2-CG2 4.09Å; I74-A110 HydrophobicContact CG2-CB 4.46Å
75F98.9Very high98.4Very high1 Ų139 Ų390%0.00420%0.195CC..THydrogen-bonded Turntrans-101.33.1177.8-61.2-57.6000113.3F26 L30 M35 W46 L49 A50 G73 I77 A110 I111 A114 W127F26-F75 HydrophobicContact CE1-CE1 4.39Å; F26-F75 HydrophobicContact CE2-CZ 4.41Å; F26-F75 AromaticContact CZ-CE1 3.62Å; F26-F75 HydrophobicContact CZ-CE1 3.62Å; F26-F75 AromaticContact CZ-CZ 3.83Å; F26-F75 HydrophobicContact CZ-CZ 3.83Å; L30-F75 HydrophobicContact CD2-CZ 3.83Å; M35-F75 HydrophobicContact CE-CZ 4.05Å; W46-F75 HydrophobicContact CE3-CE1 4.14Å; L49-F75 HydrophobicContact CD2-CB 4.42Å; L49-F75 HydrophobicContact CD2-CD1 3.82Å; A50-F75 HydrophobicContact CB-CD1 4.35Å; A50-F75 HydrophobicContact CB-CE1 4.41Å; G73-F75 PolarHBondContact O-N 3.44Å; G73-F75 VanDerWaalsContact O-N 3.11Å; F75-I77 VanDerWaalsContact C-N 3.32Å; F75-I77 HydrophobicContact CB-CD1 4.12Å; F75-I77 HydrophobicContact CB-CG1 3.93Å; F75-I77 HydrophobicContact CD2-CD1 4.42Å; F75-I77 PolarHBondContact O-N 3.06Å; F75-A110 HydrophobicContact CD2-CB 3.97Å; F75-A110 HydrophobicContact CE2-CB 4.24Å; F75-I111 HydrophobicContact CE2-CG1 4.03Å; F75-I111 HydrophobicContact CZ-CG1 4.33Å; F75-A114 HydrophobicContact CD2-CB 3.88Å; F75-A114 HydrophobicContact CE2-CB 4.02Å; F75-A114 HydrophobicContact CG-CB 4.35Å; F75-W127 PolarHBondContact O-NE1 3.45Å
76Q98.8Very high98.4Very high14 Ų1432 Ų327%0.06519%0.191CC..THydrogen-bonded Turntrans48.651.7-177.1-68.8-61-86.700112.7E53 A60 D71 Y72 G73 N78E53-Q76 HydrophobicContact CB-CB 3.97Å; E53-Q76 HydrophobicContact CB-CG 3.68Å; E53-Q76 HydrophobicContact CG-CB 4.31Å; E53-Q76 WeakPolarHBondContact O-CG 3.3Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.25Å; A60-Q76 PolarHBondContact O-NE2 2.75Å; D71-Q76 HydrophobicContact CB-CB 3.83Å; D71-Q76 HydrophobicContact CB-CG 4.4Å; Y72-Q76 WeakPolarHBondContact O-CA 3.46Å; Y72-Q76 PolarHBondContact O-N 2.94Å; G73-Q76 PolarHBondContact O-N 3.12Å; G73-Q76 PolarHBondContact O-NE2 3.33Å; Q76-N78 PolarHBondContact O-N 3.37Å
77I98.8Very high98.5Very high2 Ų233.8 Ų33.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-76.4122.3-179.1-70.8169.2000109.1Y72 F75 W82 L102 C113 A114 W127Y72-I77 PolarHBondContact N-O 3.01Å; Y72-I77 PolarHBondContact O-N 2.56Å; F75-I77 VanDerWaalsContact C-N 3.32Å; F75-I77 HydrophobicContact CB-CD1 4.12Å; F75-I77 HydrophobicContact CB-CG1 3.93Å; F75-I77 HydrophobicContact CD2-CD1 4.42Å; F75-I77 PolarHBondContact O-N 3.06Å; I77-W82 HydrophobicContact CG2-CB 3.31Å; I77-W82 HydrophobicContact CG2-CG 3.87Å; I77-L102 HydrophobicContact CB-CD1 3.88Å; I77-L102 HydrophobicContact CD1-CD2 4.18Å; I77-L102 HydrophobicContact CG2-CD1 3.87Å; I77-C113 HydrophobicContact CD1-CB 3.94Å; I77-A114 HydrophobicContact CD1-CB 4.38Å; I77-W127 HydrophobicContact CG1-CZ2 4.29Å
78N98.8Very high98.6Very high25 Ų2531.9 Ų31.913%0.13416%0.164CC..EExtended strand (participates in β ladder)trans-80.3133.4-171.1-170.4-71.6000114N64 S69 D71 Q76 R80 Y81 W82N64-N78 PolarHBondContact ND2-ND2 3.26Å; S69-N78 WeakPolarHBondContact CB-OD1 3.27Å; S69-N78 PolarHBondContact OG-ND2 3.32Å; S69-N78 PolarHBondContact OG-OD1 3.19Å; D71-N78 WeakPolarHBondContact OD1-CB 3.31Å; D71-N78 VanDerWaalsContact OD1-CG 3.31Å; D71-N78 PolarHBondContact OD1-ND2 2.89Å; Q76-N78 PolarHBondContact O-N 3.37Å; N78-R80 VanDerWaalsContact C-N 3.33Å; N78-R80 PolarHBondContact O-N 3.3Å; N78-R80 WeakPolarHBondContact OD1-CA 3.25Å; N78-R80 WeakPolarHBondContact OD1-CB 3.37Å; N78-R80 PolarHBondContact OD1-N 3.13Å; N78-Y81 PolarHBondContact O-N 3.39Å; N78-W82 PolarHBondContact O-N 2.82Å
79S98.8Very high98.6Very high0 Ų029.4 Ų29.40%016%0.157CC..THydrogen-bonded Turntrans-69.5-17.9178.858.30000115.8T70 Y81 C83 D85 T88 A91T70-S79 PolarHBondContact N-OG 2.88Å; T70-S79 PolarHBondContact O-N 3.08Å; T70-S79 PolarHBondContact O-OG 3.24Å; S79-Y81 PolarHBondContact O-N 3.49Å; S79-C83 CarbonylContact C-O 3.47Å; S79-C83 WeakPolarHBondContact CA-O 3.45Å; S79-D85 PolarHBondContact OG-OD2 2.97Å; S79-T88 WeakPolarHBondContact CB-OG1 3.27Å; S79-T88 PolarHBondContact OG-OG1 3.02Å; S79-A91 VanDerWaalsContact O-CB 3.26Å; S79-A91 WeakPolarHBondContact O-CB 3.44Å
80R98.6Very high98.5Very high30 Ų3040 Ų4011%0.11320%0.197CC..THydrogen-bonded Turntrans-56.4-39172.5175.453.961.1-164.7-8.8110.9D67 N78 P89 R90 V92D67-R80 PolarHBondContact O-NH2 2.87Å; D67-R80 IonicContact OD2-CZ 3.39Å; D67-R80 IonicContact OD2-NE 3.78Å; D67-R80 PolarHBondContact OD2-NE 3.02Å; D67-R80 IonicContact OD2-NH2 2.96Å; N78-R80 VanDerWaalsContact C-N 3.33Å; N78-R80 PolarHBondContact O-N 3.3Å; N78-R80 WeakPolarHBondContact OD1-CA 3.25Å; N78-R80 WeakPolarHBondContact OD1-CB 3.37Å; N78-R80 PolarHBondContact OD1-N 3.13Å; R80-P89 PolarHBondContact NH1-O 2.81Å; R80-P89 PolarHBondContact NH2-O 3.46Å; R80-P89 VanDerWaalsContact NH2-O 3.14Å; R80-R90 PolarHBondContact NH1-O 3.17Å; R80-V92 PolarHBondContact O-N 3.27Å
81Y98.7Very high98.4Very high126 Ų12641.3 Ų41.349%0.49421%0.208SC..THydrogen-bonded Turntrans-118.3-40.6-168.2-55.7-70.1000113.7N78 S79 V92 N93 A94N78-Y81 PolarHBondContact O-N 3.39Å; S79-Y81 PolarHBondContact O-N 3.49Å; Y81-V92 HydrophobicContact CD1-CG2 4.48Å; Y81-V92 WeakPolarHBondContact O-CB 3.17Å; Y81-N93 PolarHBondContact O-N 2.03Å; Y81-A94 WeakPolarHBondContact O-CB 3.4Å; Y81-A94 PolarHBondContact O-N 3.26Å
82W98.9Very high98.4Very high25 Ų2545 Ų4510%0.09523%0.231CC..THydrogen-bonded Turntrans-108.7-36.2-156.8-59.9113.9000114.5I77 N78 N93 A94 C95 R116 V117 D120I77-W82 HydrophobicContact CG2-CB 3.31Å; I77-W82 HydrophobicContact CG2-CG 3.87Å; N78-W82 PolarHBondContact O-N 2.82Å; W82-N93 CarbonylContact O-C 3.5Å; W82-N93 PolarHBondContact O-OD1 3.23Å; W82-A94 HydrophobicContact CE3-CB 3.75Å; W82-A94 HydrophobicContact CZ3-CB 3.83Å; W82-A94 PolarHBondContact O-N 3.37Å; W82-C95 WeakPolarHBondContact O-CB 3.46Å; W82-C95 PolarHBondContact O-N 3.43Å; W82-R116 HydrophobicContact CZ3-CG 4.24Å; W82-V117 HydrophobicContact CD2-CB 4.44Å; W82-V117 HydrophobicContact CD2-CG2 3.5Å; W82-V117 VanDerWaalsContact CD2-CG2 3.5Å; W82-V117 HydrophobicContact CE3-CG2 3.76Å; W82-V117 HydrophobicContact CG-CG2 3.93Å; W82-V117 HydrophobicContact CH2-CB 4.28Å; W82-V117 HydrophobicContact CH2-CG1 4.24Å; W82-V117 HydrophobicContact CH2-CG2 4.31Å; W82-V117 HydrophobicContact CZ2-CB 4.13Å; W82-V117 HydrophobicContact CZ2-CG1 3.7Å; W82-V117 HydrophobicContact CZ2-CG2 4.05Å; W82-V117 HydrophobicContact CZ3-CB 4.46Å; W82-V117 HydrophobicContact CZ3-CG2 4.17Å; W82-D120 HydrophobicContact CH2-CB 3.82Å
83C98.9Very high98.4Very high0 Ų046.4 Ų46.40%024%0.24CC..  trans-134164.8-179.964.10000110.8S79 N93 I97 C99 L102S79-C83 CarbonylContact C-O 3.47Å; S79-C83 WeakPolarHBondContact CA-O 3.45Å; C83-N93 WeakPolarHBondContact CA-OD1 3.21Å; C83-I97 HydrophobicContact CB-CD1 4.44Å; C83-I97 HydrophobicContact CB-CG1 3.95Å; C83-C99 HydrophobicContact CB-CB 3.96Å; C83-C99 WeakPolarHBondContact CB-SG 3.38Å; C83-C99 VanDerWaalsContact SG-CA 3.52Å; C83-C99 WeakPolarHBondContact SG-CB 3.25Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 3.32Å; C83-L102 HydrophobicContact CB-CD1 4Å; C83-L102 VanDerWaalsContact SG-CD1 3.55Å
84N98.6Very high98.4Very high65 Ų6548.1 Ų48.135%0.34825%0.254SS..BIsolated β-bridgetrans-107126.1175.1-172.12.6000111.3G86 N93 I97 N98 C99N84-G86 PolarHBondContact OD1-N 2.87Å; N84-N93 HydrophobicContact CB-CB 4.2Å; N84-I97 PolarHBondContact N-O 2.98Å; N84-N98 CarbonylContact O-C 3.58Å; N84-N98 VanDerWaalsContact O-CA 3.27Å; N84-N98 WeakPolarHBondContact O-CA 3.47Å; N84-N98 PolarHBondContact O-OD1 3.26Å; N84-C99 PolarHBondContact O-N 3.03Å
85D98.5Very high98.4Very high27 Ų2749.5 Ų49.514%0.14426%0.263CS..  trans-109.46.417565.50.1000113.8Y72 S79 K87 T88 C99Y72-D85 HydrophobicContact CE2-CB 4.04Å; Y72-D85 WeakPolarHBondContact OH-CB 3.35Å; Y72-D85 PolarHBondContact OH-OD2 3.29Å; S79-D85 PolarHBondContact OG-OD2 2.97Å; D85-K87 HydrophobicContact CB-CG 4.37Å; D85-K87 VanDerWaalsContact CG-CG 3.47Å; D85-K87 PolarHBondContact O-N 3.37Å; D85-K87 VanDerWaalsContact O-N 3.14Å; D85-K87 WeakPolarHBondContact OD1-CG 3.05Å; D85-K87 PolarHBondContact OD1-N 2.71Å; D85-K87 VanDerWaalsContact OD1-N 3.17Å; D85-K87 WeakPolarHBondContact OD2-CE 3.38Å; D85-K87 WeakPolarHBondContact OD2-CG 3.25Å; D85-T88 VanDerWaalsContact OD1-CB 3.28Å; D85-T88 WeakPolarHBondContact OD1-CB 3.01Å; D85-T88 PolarHBondContact OD1-N 2.83Å; D85-T88 PolarHBondContact OD1-OG1 2.95Å; D85-T88 PolarHBondContact OD2-OG1 2.93Å; D85-C99 HydrophobicContact CB-CB 3.94Å
86G98.1Very high98.4Very high70 Ų7052.2 Ų52.272%0.72229%0.291SS*.SBendtrans73-4.1178.300000115.3N84N84-G86 PolarHBondContact OD1-N 2.87Å
87K97.9Very high98.4Very high125 Ų12553.6 Ų53.654%0.54330%0.299SS..SBendtrans-124.1-21.6-177.762.8177.9-178.8179.30113.8Y72 D85 P89Y72-K87 WeakPolarHBondContact OH-CE 3.15Å; D85-K87 HydrophobicContact CB-CG 4.37Å; D85-K87 VanDerWaalsContact CG-CG 3.47Å; D85-K87 PolarHBondContact O-N 3.37Å; D85-K87 VanDerWaalsContact O-N 3.14Å; D85-K87 WeakPolarHBondContact OD1-CG 3.05Å; D85-K87 PolarHBondContact OD1-N 2.71Å; D85-K87 VanDerWaalsContact OD1-N 3.17Å; D85-K87 WeakPolarHBondContact OD2-CE 3.38Å; D85-K87 WeakPolarHBondContact OD2-CG 3.25Å; K87-P89 VanDerWaalsContact O-CD 3.3Å; K87-P89 WeakPolarHBondContact O-CD 3.22Å
88T98.4Very high98.4Very high9 Ų957.7 Ų57.76%0.05532%0.321CS..SBendtrans-72.7115.8177.7-57.20000109.9S79 D85 R90 A91S79-T88 WeakPolarHBondContact CB-OG1 3.27Å; S79-T88 PolarHBondContact OG-OG1 3.02Å; D85-T88 VanDerWaalsContact OD1-CB 3.28Å; D85-T88 WeakPolarHBondContact OD1-CB 3.01Å; D85-T88 PolarHBondContact OD1-N 2.83Å; D85-T88 PolarHBondContact OD1-OG1 2.95Å; D85-T88 PolarHBondContact OD2-OG1 2.93Å; T88-R90 PolarHBondContact O-N 3.11Å; T88-A91 HydrophobicContact CG2-CB 4.36Å
89P97.4Very high98.4Very high52 Ų5256.5 Ų56.534%0.33831%0.314SS..THydrogen-bonded Turntrans-63.4137.4-178.2-18.529.5000110.3Q68 R80 K87 A91Q68-P89 HydrophobicContact CB-CG 4.48Å; Q68-P89 VanDerWaalsContact OE1-CG 3.27Å; R80-P89 PolarHBondContact NH1-O 2.81Å; R80-P89 PolarHBondContact NH2-O 3.46Å; R80-P89 VanDerWaalsContact NH2-O 3.14Å; K87-P89 VanDerWaalsContact O-CD 3.3Å; K87-P89 WeakPolarHBondContact O-CD 3.22Å; P89-A91 VanDerWaalsContact C-N 3.29Å; P89-A91 PolarHBondContact O-N 2.9Å
90R96.4Very high98.4Very high224 Ų22459.4 Ų59.485%0.84534%0.335SS*.THydrogen-bonded Turntrans53.440176.4-53.7-179.6-68.4166.3-1114.1R80 T88R80-R90 PolarHBondContact NH1-O 3.17Å; T88-R90 PolarHBondContact O-N 3.11Å
91A97.9Very high98.4Very high32 Ų3259.4 Ų59.426%0.26434%0.341SS..  trans-63.2135.7172.700000111.2S79 T88 P89S79-A91 VanDerWaalsContact O-CB 3.26Å; S79-A91 WeakPolarHBondContact O-CB 3.44Å; T88-A91 HydrophobicContact CG2-CB 4.36Å; P89-A91 VanDerWaalsContact C-N 3.29Å; P89-A91 PolarHBondContact O-N 2.9Å
92V98.3Very high98.4Very high98 Ų9853.6 Ų53.659%0.59432%0.318SS*.  trans-80-34.1179.7178.60000112.1R80 Y81 A94R80-V92 PolarHBondContact O-N 3.27Å; Y81-V92 HydrophobicContact CD1-CG2 4.48Å; Y81-V92 WeakPolarHBondContact O-CB 3.17Å; V92-A94 HydrophobicContact CG1-CB 4.32Å; V92-A94 PolarHBondContact O-N 3.22Å
93N98.5Very high98.3Very high48 Ų4854.3 Ų54.326%0.25732%0.324SS..  trans53.147.2-178.2-169.822.9000114.2Y81 W82 C83 N84 C95 G96 I97Y81-N93 PolarHBondContact O-N 2.03Å; W82-N93 CarbonylContact O-C 3.5Å; W82-N93 PolarHBondContact O-OD1 3.23Å; C83-N93 WeakPolarHBondContact CA-OD1 3.21Å; N84-N93 HydrophobicContact CB-CB 4.2Å; N93-C95 PolarHBondContact O-N 3.4Å; N93-C95 VanDerWaalsContact O-N 3.12Å; N93-G96 PolarHBondContact O-N 3.4Å; N93-G96 PolarHBondContact OD1-N 3.08Å; N93-I97 PolarHBondContact OD1-N 3.21Å; N93-I97 PolarHBondContact OD1-O 3.13Å
94A98.7Very high98.3Very high36 Ų3659.2 Ų59.230%0.29835%0.347SS..THydrogen-bonded Turntrans-63.9-17.2-175.700000114.8Y81 W82 V92Y81-A94 WeakPolarHBondContact O-CB 3.4Å; Y81-A94 PolarHBondContact O-N 3.26Å; W82-A94 HydrophobicContact CE3-CB 3.75Å; W82-A94 HydrophobicContact CZ3-CB 3.83Å; W82-A94 PolarHBondContact O-N 3.37Å; V92-A94 HydrophobicContact CG1-CB 4.32Å; V92-A94 PolarHBondContact O-N 3.22Å
95C98.8Very high98.2Very high30 Ų3059.2 Ų59.220%0.20335%0.347CS..THydrogen-bonded Turntrans-89.4-10.7171.8-62.20000113.4W82 N93 I97 C113W82-C95 WeakPolarHBondContact O-CB 3.46Å; W82-C95 PolarHBondContact O-N 3.43Å; N93-C95 PolarHBondContact O-N 3.4Å; N93-C95 VanDerWaalsContact O-N 3.12Å; C95-I97 HydrophobicContact CB-CD1 4.19Å; C95-I97 HydrophobicContact CB-CG1 3.93Å; C95-C113 HydrophobicContact CB-CB 3.78Å; C95-C113 WeakPolarHBondContact CB-SG 3.04Å; C95-C113 WeakPolarHBondContact SG-CA 3.46Å; C95-C113 WeakPolarHBondContact SG-CB 3.39Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.27Å
96G98.6Very high98.1Very high58 Ų5863 Ų6360%0.59837%0.367SS*.  trans69.232.9178.100000114.4N93N93-G96 PolarHBondContact O-N 3.4Å; N93-G96 PolarHBondContact OD1-N 3.08Å
97I98.7Very high98.1Very high44 Ų4460 Ų6023%0.22634%0.335CS..SBendtrans-132.4157.2-17460.2172.1000112.6C83 N84 N93 C95 L102 C113C83-I97 HydrophobicContact CB-CD1 4.44Å; C83-I97 HydrophobicContact CB-CG1 3.95Å; N84-I97 PolarHBondContact N-O 2.98Å; N93-I97 PolarHBondContact OD1-N 3.21Å; N93-I97 PolarHBondContact OD1-O 3.13Å; C95-I97 HydrophobicContact CB-CD1 4.19Å; C95-I97 HydrophobicContact CB-CG1 3.93Å; I97-L102 HydrophobicContact CD1-CD2 3.74Å; I97-L102 HydrophobicContact CD1-CG 4.09Å; I97-C113 HydrophobicContact CD1-CB 4.11Å
98N98.6Very high98.2Very high87 Ų8756.9 Ų56.947%0.46533%0.326SS..BIsolated β-bridgetrans-74.1138.8164.3-167.4-65000109.7N84 S100 A101N84-N98 CarbonylContact O-C 3.58Å; N84-N98 VanDerWaalsContact O-CA 3.27Å; N84-N98 WeakPolarHBondContact O-CA 3.47Å; N84-N98 PolarHBondContact O-OD1 3.26Å; N98-S100 PolarHBondContact O-N 2.04Å; N98-S100 VanDerWaalsContact O-N 3.13Å; N98-S100 WeakPolarHBondContact OD1-CB 3.41Å; N98-S100 PolarHBondContact OD1-N 2.92Å; N98-S100 PolarHBondContact OD1-OG 2.97Å; N98-S100 VanDerWaalsContact OD1-OG 3.08Å; N98-A101 VanDerWaalsContact O-CB 3.3Å; N98-A101 WeakPolarHBondContact O-CB 3.05Å; N98-A101 PolarHBondContact O-N 3.07Å
99C98.8Very high98.2Very high0 Ų058.1 Ų58.10%034%0.337CS..G310 helixtrans-60.5-21.6178.1-61.80000113.2Y72 C83 N84 D85 A101 L102Y72-C99 HydrophobicContact CD1-CB 3.95Å; Y72-C99 HydrophobicContact CD2-CB 3.57Å; Y72-C99 HydrophobicContact CE1-CB 4.01Å; Y72-C99 HydrophobicContact CE2-CB 3.6Å; Y72-C99 HydrophobicContact CG-CB 3.76Å; C83-C99 HydrophobicContact CB-CB 3.96Å; C83-C99 WeakPolarHBondContact CB-SG 3.38Å; C83-C99 VanDerWaalsContact SG-CA 3.52Å; C83-C99 WeakPolarHBondContact SG-CB 3.25Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 3.32Å; N84-C99 PolarHBondContact O-N 3.03Å; D85-C99 HydrophobicContact CB-CB 3.94Å; C99-A101 PolarHBondContact O-N 3.44Å; C99-L102 VanDerWaalsContact O-CB 3.31Å; C99-L102 WeakPolarHBondContact O-CB 3.47Å; C99-L102 PolarHBondContact O-N 3.46Å
100S98.2Very high98.2Very high62 Ų6255.8 Ų55.843%0.43432%0.322SS..G310 helixtrans-60.7-26172.869.50000113.5N98 L102 L103 Q104N98-S100 PolarHBondContact O-N 2.04Å; N98-S100 VanDerWaalsContact O-N 3.13Å; N98-S100 WeakPolarHBondContact OD1-CB 3.41Å; N98-S100 PolarHBondContact OD1-N 2.92Å; N98-S100 PolarHBondContact OD1-OG 2.97Å; N98-S100 VanDerWaalsContact OD1-OG 3.08Å; S100-L102 PolarHBondContact O-N 2.9Å; S100-L103 PolarHBondContact O-N 3.2Å; S100-Q104 PolarHBondContact O-NE2 3.35Å
101A98.6Very high98.4Very high29 Ų2945.1 Ų45.124%0.2428%0.282CS..G310 helixtrans-67.7-17.6175.500000112.6N98 C99 A109N98-A101 VanDerWaalsContact O-CB 3.3Å; N98-A101 WeakPolarHBondContact O-CB 3.05Å; N98-A101 PolarHBondContact O-N 3.07Å; C99-A101 PolarHBondContact O-N 3.44Å; A101-A109 HydrophobicContact CB-CB 4.18Å
102L98.7Very high98.4Very high4 Ų448.5 Ų48.52%0.02129%0.292CS..G310 helixtrans-86.7-8.6177.7-56.3173.4000112.9G73 I77 C83 I97 C99 S100 A110 C113G73-L102 VanDerWaalsContact CA-O 3.31Å; G73-L102 WeakPolarHBondContact CA-O 3.1Å; I77-L102 HydrophobicContact CB-CD1 3.88Å; I77-L102 HydrophobicContact CD1-CD2 4.18Å; I77-L102 HydrophobicContact CG2-CD1 3.87Å; C83-L102 HydrophobicContact CB-CD1 4Å; C83-L102 VanDerWaalsContact SG-CD1 3.55Å; I97-L102 HydrophobicContact CD1-CD2 3.74Å; I97-L102 HydrophobicContact CD1-CG 4.09Å; C99-L102 VanDerWaalsContact O-CB 3.31Å; C99-L102 WeakPolarHBondContact O-CB 3.47Å; C99-L102 PolarHBondContact O-N 3.46Å; S100-L102 PolarHBondContact O-N 2.9Å; L102-A110 HydrophobicContact CD2-CB 3.94Å; L102-C113 HydrophobicContact CD2-CB 4.36Å
103L98.4Very high98.4Very high41 Ų4144 Ų4422%0.21527%0.265CS..G310 helixtrans-101.816.1-179-59.6176.3000113T58 T61 Y72 S100T58-L103 WeakPolarHBondContact O-CA 3.38Å; T61-L103 HydrophobicContact CG2-CD1 4.41Å; T61-L103 HydrophobicContact CG2-CD2 3.81Å; Y72-L103 HydrophobicContact CD1-CD1 3.98Å; Y72-L103 HydrophobicContact CD1-CD2 4.15Å; Y72-L103 HydrophobicContact CD1-CG 4.12Å; Y72-L103 HydrophobicContact CE1-CD1 4.4Å; S100-L103 PolarHBondContact O-N 3.2Å
104Q97.6Very high98.5Very high103 Ų10341.7 Ų41.748%0.48125%0.253SS..SBendtrans-87.6148.1179.1-55.7-53.6-48.400110.7S100 D106S100-Q104 PolarHBondContact O-NE2 3.35Å; Q104-D106 PolarHBondContact O-N 2.04Å
105D96.7Very high98.5Very high65 Ų6541.1 Ų41.135%0.34824%0.244SC..SBendtrans-66.7-31.6175.1-59.5-24.6000110.6K19 Y21 T58 R59 I107K19-D105 HydrophobicContact CB-CB 3.76Å; K19-D105 WeakPolarHBondContact CB-OD1 3.16Å; K19-D105 HydrophobicContact CG-CB 4.49Å; K19-D105 PolarHBondContact N-OD1 3.26Å; Y21-D105 PolarHBondContact OH-O 3.43Å; T58-D105 PolarHBondContact OG1-OD1 3.08Å; R59-D105 IonicContact CZ-OD1 3.28Å; R59-D105 IonicContact NE-OD1 3.87Å; R59-D105 PolarHBondContact NE-OD1 2.89Å; R59-D105 IonicContact NH2-OD1 2.74Å; R59-D105 PolarHBondContact NH2-OD1 3.31Å; R59-D105 IonicContact NH2-OD2 3.49Å; R59-D105 PolarHBondContact NH2-OD2 2.94Å; D105-I107 PolarHBondContact O-N 3.14Å
106D97Very high98.5Very high107 Ų10743.3 Ų43.357%0.57225%0.248SC*.SBendtrans-76.9106.4163.3-178-10.1000110.3Q104 T108Q104-D106 PolarHBondContact O-N 2.04Å; D106-T108 PolarHBondContact O-N 3.16Å; D106-T108 VanDerWaalsContact OD1-CB 3.24Å; D106-T108 WeakPolarHBondContact OD1-CB 3.36Å; D106-T108 PolarHBondContact OD1-N 3.22Å; D106-T108 PolarHBondContact OD1-OG1 2.66Å
107I98.4Very high98.5Very high6 Ų640.6 Ų40.63%0.03122%0.219CC..THydrogen-bonded Turntrans-81.712.3-176.361.6169.8000114.5Y21 F26 T29 T58 I74 D105 A109 A110 I111Y21-I107 HydrophobicContact CE2-CD1 4.23Å; Y21-I107 HydrophobicContact CE2-CG2 3.92Å; F26-I107 HydrophobicContact CD2-CD1 4.06Å; F26-I107 HydrophobicContact CE2-CD1 3.62Å; T29-I107 HydrophobicContact CG2-CD1 3.93Å; T29-I107 HydrophobicContact CG2-CG1 4.29Å; T58-I107 HydrophobicContact CG2-CG2 3.6Å; I74-I107 HydrophobicContact CG2-CG2 4.09Å; D105-I107 PolarHBondContact O-N 3.14Å; I107-A109 PolarHBondContact O-N 2.74Å; I107-A110 HydrophobicContact CB-CB 4.4Å; I107-A110 WeakPolarHBondContact O-CB 3.15Å; I107-A110 PolarHBondContact O-N 2.92Å; I107-A110 VanDerWaalsContact O-N 3.14Å; I107-I111 HydrophobicContact CD1-CD1 3.87Å; I107-I111 HydrophobicContact CD1-CG1 4.28Å; I107-I111 HydrophobicContact CG1-CD1 3.86Å; I107-I111 HydrophobicContact CG1-CG1 4.31Å; I107-I111 WeakPolarHBondContact O-CG1 3.27Å; I107-I111 PolarHBondContact O-N 3.17Å
108T98.6Very high98.5Very high59 Ų5938.5 Ų38.536%0.36221%0.209SC..Hα-helixtrans-56.5-46.6-178-63.30000112.1D106 A110 I111 Q112D106-T108 PolarHBondContact O-N 3.16Å; D106-T108 VanDerWaalsContact OD1-CB 3.24Å; D106-T108 WeakPolarHBondContact OD1-CB 3.36Å; D106-T108 PolarHBondContact OD1-N 3.22Å; D106-T108 PolarHBondContact OD1-OG1 2.66Å; T108-A110 VanDerWaalsContact C-N 3.34Å; T108-A110 PolarHBondContact O-N 3.2Å; T108-I111 PolarHBondContact O-N 3.46Å; T108-Q112 WeakPolarHBondContact O-CG 3.49Å; T108-Q112 PolarHBondContact O-N 3Å
109A98.7Very high98.5Very high35 Ų3540.5 Ų40.529%0.28921%0.21SC..Hα-helixtrans-63.4-40.4177.500000112.1A101 I107 Q112 C113A101-A109 HydrophobicContact CB-CB 4.18Å; I107-A109 PolarHBondContact O-N 2.74Å; A109-Q112 PolarHBondContact O-N 2.83Å; A109-C113 PolarHBondContact O-N 2.65Å
110A98.9Very high98.4Very high3 Ų342.9 Ų42.93%0.02522%0.223CC..Hα-helixtrans-63.7-40.8176.200000112I74 F75 L102 I107 T108 C113 A114I74-A110 HydrophobicContact CG2-CB 4.46Å; F75-A110 HydrophobicContact CD2-CB 3.97Å; F75-A110 HydrophobicContact CE2-CB 4.24Å; L102-A110 HydrophobicContact CD2-CB 3.94Å; I107-A110 HydrophobicContact CB-CB 4.4Å; I107-A110 WeakPolarHBondContact O-CB 3.15Å; I107-A110 PolarHBondContact O-N 2.92Å; I107-A110 VanDerWaalsContact O-N 3.14Å; T108-A110 VanDerWaalsContact C-N 3.34Å; T108-A110 PolarHBondContact O-N 3.2Å; A110-C113 PolarHBondContact O-N 3.39Å; A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 3.46Å
111I98.9Very high98.4Very high0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-62.3-46.6174.7-73.3172.4000111.1L30 N33 M35 F75 I107 T108 C113 A114 K115L30-I111 HydrophobicContact CD2-CD1 4.14Å; L30-I111 HydrophobicContact CD2-CG1 4.2Å; N33-I111 HydrophobicContact CB-CD1 3.75Å; N33-I111 HydrophobicContact CB-CG2 4.18Å; M35-I111 HydrophobicContact CG-CG2 3.92Å; M35-I111 HydrophobicContact SD-CG2 3.8Å; F75-I111 HydrophobicContact CE2-CG1 4.03Å; F75-I111 HydrophobicContact CZ-CG1 4.33Å; I107-I111 HydrophobicContact CD1-CD1 3.87Å; I107-I111 HydrophobicContact CD1-CG1 4.28Å; I107-I111 HydrophobicContact CG1-CD1 3.86Å; I107-I111 HydrophobicContact CG1-CG1 4.31Å; I107-I111 WeakPolarHBondContact O-CG1 3.27Å; I107-I111 PolarHBondContact O-N 3.17Å; T108-I111 PolarHBondContact O-N 3.46Å; I111-C113 VanDerWaalsContact C-N 3.33Å; I111-C113 PolarHBondContact O-N 3.41Å; I111-A114 PolarHBondContact O-N 3.25Å; I111-K115 HydrophobicContact CG2-CD 4.46Å; I111-K115 WeakPolarHBondContact O-CG 3.17Å; I111-K115 PolarHBondContact O-N 2.95Å
112Q98.9Very high98.3Very high104 Ų10450.3 Ų50.349%0.48626%0.257SS..Hα-helixtrans-63.6-40.3179.8-64.6-54.4-27.300111.9T108 A109 K115 R116T108-Q112 WeakPolarHBondContact O-CG 3.49Å; T108-Q112 PolarHBondContact O-N 3Å; A109-Q112 PolarHBondContact O-N 2.83Å; Q112-K115 WeakPolarHBondContact O-CB 3.46Å; Q112-K115 PolarHBondContact O-N 3.38Å; Q112-R116 PolarHBondContact O-N 3.45Å
113C98.9Very high98.3Very high3 Ų350.8 Ų50.82%0.0226%0.263CS..Hα-helixtrans-69.4-40.9176.5-171.10000111.8I77 C95 I97 L102 A109 A110 I111 K115 R116 V117I77-C113 HydrophobicContact CD1-CB 3.94Å; C95-C113 HydrophobicContact CB-CB 3.78Å; C95-C113 WeakPolarHBondContact CB-SG 3.04Å; C95-C113 WeakPolarHBondContact SG-CA 3.46Å; C95-C113 WeakPolarHBondContact SG-CB 3.39Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.27Å; I97-C113 HydrophobicContact CD1-CB 4.11Å; L102-C113 HydrophobicContact CD2-CB 4.36Å; A109-C113 PolarHBondContact O-N 2.65Å; A110-C113 PolarHBondContact O-N 3.39Å; I111-C113 VanDerWaalsContact C-N 3.33Å; I111-C113 PolarHBondContact O-N 3.41Å; C113-K115 VanDerWaalsContact C-N 3.31Å; C113-K115 PolarHBondContact O-N 3.31Å; C113-R116 CarbonylContact O-C 3.56Å; C113-R116 WeakPolarHBondContact O-CA 3.32Å; C113-R116 WeakPolarHBondContact O-CB 3.21Å; C113-R116 PolarHBondContact O-N 3.01Å; C113-V117 VanDerWaalsContact O-CG2 3.27Å; C113-V117 WeakPolarHBondContact O-CG2 3.09Å; C113-V117 PolarHBondContact O-N 3.41Å
114A98.9Very high98.3Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-58.9-40.3173.300000112.5M35 W46 F75 I77 A110 I111 R116 V117 V118 W127M35-A114 HydrophobicContact CE-CB 4.29Å; W46-A114 HydrophobicContact CH2-CB 3.97Å; W46-A114 HydrophobicContact CZ3-CB 3.97Å; F75-A114 HydrophobicContact CD2-CB 3.88Å; F75-A114 HydrophobicContact CE2-CB 4.02Å; F75-A114 HydrophobicContact CG-CB 4.35Å; I77-A114 HydrophobicContact CD1-CB 4.38Å; A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 3.46Å; I111-A114 PolarHBondContact O-N 3.25Å; A114-R116 VanDerWaalsContact C-N 3.31Å; A114-R116 PolarHBondContact O-N 3.33Å; A114-V117 WeakPolarHBondContact O-CB 3.08Å; A114-V117 PolarHBondContact O-N 3.36Å; A114-V118 PolarHBondContact O-N 2.82Å; A114-V118 VanDerWaalsContact O-N 3.08Å; A114-W127 HydrophobicContact CB-CH2 4.33Å; A114-W127 HydrophobicContact CB-CZ2 4.47Å
115K98.9Very high98.3Very high24 Ų2451.4 Ų51.410%0.10426%0.259CS..Hα-helixtrans-60.9-37.5171.2-75-176.6177176.80112.6N33 M35 Y38 I111 Q112 C113 V118 R119N33-K115 PolarHBondContact O-NZ 3.04Å; M35-K115 HydrophobicContact SD-CD 4.25Å; M35-K115 VanDerWaalsContact SD-CE 3.6Å; M35-K115 HydrophobicContact SD-CG 3.65Å; Y38-K115 HydrophobicContact CD1-CB 4.15Å; Y38-K115 HydrophobicContact CD1-CD 4.37Å; Y38-K115 HydrophobicContact CD1-CG 3.72Å; Y38-K115 HydrophobicContact CD2-CD 4.09Å; Y38-K115 HydrophobicContact CD2-CG 4.33Å; Y38-K115 HydrophobicContact CE1-CB 3.48Å; Y38-K115 VanDerWaalsContact CE1-CB 3.48Å; Y38-K115 HydrophobicContact CE1-CD 4.15Å; Y38-K115 HydrophobicContact CE1-CG 3.54Å; Y38-K115 HydrophobicContact CE2-CD 3.85Å; Y38-K115 HydrophobicContact CE2-CG 4.18Å; Y38-K115 HydrophobicContact CG-CD 4.34Å; Y38-K115 HydrophobicContact CG-CG 4.11Å; I111-K115 HydrophobicContact CG2-CD 4.46Å; I111-K115 WeakPolarHBondContact O-CG 3.17Å; I111-K115 PolarHBondContact O-N 2.95Å; Q112-K115 WeakPolarHBondContact O-CB 3.46Å; Q112-K115 PolarHBondContact O-N 3.38Å; C113-K115 VanDerWaalsContact C-N 3.31Å; C113-K115 PolarHBondContact O-N 3.31Å; K115-V118 WeakPolarHBondContact O-CG2 3.28Å; K115-R119 WeakPolarHBondContact O-CG 3.39Å; K115-R119 PolarHBondContact O-NE 3.23Å
116R98.8Very high98.4Very high75 Ų7550 Ų5028%0.28326%0.256SS..Hα-helixtrans-66.7-40.6173.2172.757.9-171.290-2.3111.9W82 Q112 C113 A114 R119 D120W82-R116 HydrophobicContact CZ3-CG 4.24Å; Q112-R116 PolarHBondContact O-N 3.45Å; C113-R116 CarbonylContact O-C 3.56Å; C113-R116 WeakPolarHBondContact O-CA 3.32Å; C113-R116 WeakPolarHBondContact O-CB 3.21Å; C113-R116 PolarHBondContact O-N 3.01Å; A114-R116 VanDerWaalsContact C-N 3.31Å; A114-R116 PolarHBondContact O-N 3.33Å; R116-R119 PolarHBondContact O-N 3.38Å; R116-D120 IonicContact CZ-OD1 3.04Å; R116-D120 IonicContact NH1-OD1 3.24Å; R116-D120 PolarHBondContact NH1-OD1 2.85Å; R116-D120 IonicContact NH2-OD1 3.76Å; R116-D120 PolarHBondContact NH2-OD1 3.49Å
117V98.8Very high98.5Very high1 Ų145.6 Ų45.61%0.00623%0.232CC..Hα-helixtrans-61.1-48.1178.8178.60000110.9W82 C113 A114 R119 D120 A126 W127W82-V117 HydrophobicContact CD2-CB 4.44Å; W82-V117 HydrophobicContact CD2-CG2 3.5Å; W82-V117 VanDerWaalsContact CD2-CG2 3.5Å; W82-V117 HydrophobicContact CE3-CG2 3.76Å; W82-V117 HydrophobicContact CG-CG2 3.93Å; W82-V117 HydrophobicContact CH2-CB 4.28Å; W82-V117 HydrophobicContact CH2-CG1 4.24Å; W82-V117 HydrophobicContact CH2-CG2 4.31Å; W82-V117 HydrophobicContact CZ2-CB 4.13Å; W82-V117 HydrophobicContact CZ2-CG1 3.7Å; W82-V117 HydrophobicContact CZ2-CG2 4.05Å; W82-V117 HydrophobicContact CZ3-CB 4.46Å; W82-V117 HydrophobicContact CZ3-CG2 4.17Å; C113-V117 VanDerWaalsContact O-CG2 3.27Å; C113-V117 WeakPolarHBondContact O-CG2 3.09Å; C113-V117 PolarHBondContact O-N 3.41Å; A114-V117 WeakPolarHBondContact O-CB 3.08Å; A114-V117 PolarHBondContact O-N 3.36Å; V117-R119 PolarHBondContact O-N 2.86Å; V117-D120 WeakPolarHBondContact O-CB 3.12Å; V117-D120 PolarHBondContact O-N 3.5Å; V117-A126 HydrophobicContact CG1-CB 4.02Å; V117-W127 HydrophobicContact CB-CH2 3.43Å; V117-W127 VanDerWaalsContact CB-CH2 3.43Å; V117-W127 HydrophobicContact CB-CZ2 4.17Å; V117-W127 HydrophobicContact CB-CZ3 3.9Å; V117-W127 HydrophobicContact CG1-CE3 4.08Å; V117-W127 HydrophobicContact CG1-CH2 3.29Å; V117-W127 HydrophobicContact CG1-CZ2 3.98Å; V117-W127 HydrophobicContact CG1-CZ3 3.31Å; V117-W127 HydrophobicContact CG2-CH2 3.94Å; V117-W127 HydrophobicContact CG2-CZ2 4.2Å
118V98.7Very high98.4Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-70.2-17.6-175.7-64.20000114.2Y38 Y39 V41 W46 A114 K115 G123 I124 W127Y38-V118 HydrophobicContact CD1-CG2 3.75Å; Y38-V118 HydrophobicContact CE1-CG2 3.76Å; Y39-V118 WeakPolarHBondContact CD1-O 3.42Å; Y39-V118 WeakPolarHBondContact CE1-O 3.5Å; V41-V118 HydrophobicContact CG2-CB 4.37Å; V41-V118 HydrophobicContact CG2-CG1 4.11Å; W46-V118 HydrophobicContact CH2-CB 4.46Å; W46-V118 HydrophobicContact CH2-CG1 3.34Å; W46-V118 HydrophobicContact CH2-CG2 4.31Å; W46-V118 HydrophobicContact CZ2-CG1 3.72Å; W46-V118 HydrophobicContact CZ2-CG2 4.14Å; W46-V118 HydrophobicContact CZ3-CG1 4.34Å; A114-V118 PolarHBondContact O-N 2.82Å; A114-V118 VanDerWaalsContact O-N 3.08Å; K115-V118 WeakPolarHBondContact O-CG2 3.28Å; V118-G123 WeakPolarHBondContact O-CA 3.18Å; V118-I124 HydrophobicContact CG1-CB 4.26Å; V118-W127 HydrophobicContact CG1-CH2 4.25Å; V118-W127 HydrophobicContact CG1-CZ3 3.76Å
119R98.5Very high98.4Very high129 Ų12947.8 Ų47.849%0.48725%0.247SC..THydrogen-bonded Turntrans-75.4-14171.2-71.9-175-67.6170.51.2113.3Y38 Y39 K115 R116 V117Y38-R119 HydrophobicContact CE1-CG 4.42Å; Y38-R119 WeakPolarHBondContact OH-CD 3.44Å; Y39-R119 HydrophobicContact CD2-CG 3.92Å; Y39-R119 HydrophobicContact CE2-CG 4.07Å; Y39-R119 HydrophobicContact CG-CG 4.29Å; K115-R119 WeakPolarHBondContact O-CG 3.39Å; K115-R119 PolarHBondContact O-NE 3.23Å; R116-R119 PolarHBondContact O-N 3.38Å; V117-R119 PolarHBondContact O-N 2.86Å
120D97.7Very high98.4Very high51 Ų5147.1 Ų47.127%0.27324%0.236SC..SBendtrans-73.4156.1175.6-144.174.3000110.8W82 R116 V117 Q122 G123W82-D120 HydrophobicContact CH2-CB 3.82Å; R116-D120 IonicContact CZ-OD1 3.04Å; R116-D120 IonicContact NH1-OD1 3.24Å; R116-D120 PolarHBondContact NH1-OD1 2.85Å; R116-D120 IonicContact NH2-OD1 3.76Å; R116-D120 PolarHBondContact NH2-OD1 3.49Å; V117-D120 WeakPolarHBondContact O-CB 3.12Å; V117-D120 PolarHBondContact O-N 3.5Å; D120-Q122 PolarHBondContact O-N 2.81Å; D120-G123 WeakPolarHBondContact O-CA 3.32Å; D120-G123 PolarHBondContact O-N 3.33Å
121P97.4Very high98.4Very high132 Ų13251.9 Ų51.986%0.85725%0.254SS*.THydrogen-bonded Turntrans-55.7-28-175.3-30.637.9000115.6G123P121-G123 VanDerWaalsContact C-N 3.29Å
122Q97.3Very high98.4Very high114 Ų11454.3 Ų54.353%0.53327%0.274SS..THydrogen-bonded Turntrans-69.4-27.2174.3-70.2-92.8-57.800112.5D120 R125 A126D120-Q122 PolarHBondContact O-N 2.81Å; Q122-R125 VanDerWaalsContact O-CB 3.26Å; Q122-R125 WeakPolarHBondContact O-CB 3.44Å; Q122-R125 PolarHBondContact O-N 3.26Å; Q122-R125 VanDerWaalsContact O-N 3.16Å; Q122-A126 HydrophobicContact CB-CB 4.03Å
123G98.1Very high98.4Very high14 Ų1453.3 Ų53.314%0.14427%0.269CS..G310 helixtrans57-143.6-17400000112.3V118 D120 P121 R125 A126V118-G123 WeakPolarHBondContact O-CA 3.18Å; D120-G123 WeakPolarHBondContact O-CA 3.32Å; D120-G123 PolarHBondContact O-N 3.33Å; P121-G123 VanDerWaalsContact C-N 3.29Å; G123-R125 PolarHBondContact O-N 3.12Å; G123-R125 VanDerWaalsContact O-N 3.16Å; G123-A126 WeakPolarHBondContact O-CB 3.49Å; G123-A126 PolarHBondContact O-N 3.05Å
124I98.5Very high98.4Very high18 Ų1853.2 Ų53.29%0.09227%0.268CS..G310 helixtrans-64.1-16.6175.5-168160.6000113.5V41 D45 L49 V118 A126 W127 W130V41-I124 HydrophobicContact CG1-CD1 3.4Å; V41-I124 VanDerWaalsContact CG1-CD1 3.4Å; V41-I124 HydrophobicContact CG2-CB 3.99Å; V41-I124 HydrophobicContact CG2-CD1 4.34Å; V41-I124 HydrophobicContact CG2-CG2 4.27Å; D45-I124 HydrophobicContact CB-CD1 3.88Å; L49-I124 HydrophobicContact CD1-CD1 3.86Å; L49-I124 HydrophobicContact CD1-CG1 3.82Å; V118-I124 HydrophobicContact CG1-CB 4.26Å; I124-A126 PolarHBondContact O-N 2.71Å; I124-A126 VanDerWaalsContact O-N 3.16Å; I124-W127 HydrophobicContact CG1-CE3 4.25Å; I124-W127 PolarHBondContact O-N 2.89Å; I124-W130 HydrophobicContact CD1-CD2 4.03Å; I124-W130 HydrophobicContact CD1-CG 3.91Å; I124-W130 HydrophobicContact CD1-CZ2 4.45Å; I124-W130 HydrophobicContact CG1-CB 4.45Å; I124-W130 HydrophobicContact CG1-CD2 3.74Å; I124-W130 HydrophobicContact CG1-CE3 4.28Å; I124-W130 HydrophobicContact CG1-CG 3.79Å; I124-W130 HydrophobicContact CG2-CD2 4.1Å; I124-W130 HydrophobicContact CG2-CE3 4.06Å; I124-W130 HydrophobicContact CG2-CH2 3.69Å; I124-W130 HydrophobicContact CG2-CZ2 3.71Å; I124-W130 HydrophobicContact CG2-CZ3 3.88Å
125R98.3Very high98.3Very high140 Ų14055.7 Ų55.753%0.52828%0.28SS..G310 helixtrans-69.9-10.2178.2-59.5174.457.9170.1-2.8113.2Q122 G123 W127 W130 R131Q122-R125 VanDerWaalsContact O-CB 3.26Å; Q122-R125 WeakPolarHBondContact O-CB 3.44Å; Q122-R125 PolarHBondContact O-N 3.26Å; Q122-R125 VanDerWaalsContact O-N 3.16Å; G123-R125 PolarHBondContact O-N 3.12Å; G123-R125 VanDerWaalsContact O-N 3.16Å; R125-W127 PolarHBondContact O-N 2.83Å; R125-W130 HydrophobicContact CG-CZ3 3.86Å; R125-R131 HydrophobicContact CB-CG 4.26Å; R125-R131 VanDerWaalsContact O-CD 3.27Å; R125-R131 WeakPolarHBondContact O-CD 3.3Å; R125-R131 PolarHBondContact O-NE 3.03Å
126A98.2Very high98.3Very high35 Ų3562 Ų6229%0.28932%0.315SS..G310 helixtrans-58.4-30171.200000112V117 Q122 G123 I124V117-A126 HydrophobicContact CG1-CB 4.02Å; Q122-A126 HydrophobicContact CB-CB 4.03Å; G123-A126 WeakPolarHBondContact O-CB 3.49Å; G123-A126 PolarHBondContact O-N 3.05Å; I124-A126 PolarHBondContact O-N 2.71Å; I124-A126 VanDerWaalsContact O-N 3.16Å
127W98.6Very high98.3Very high15 Ų1565.6 Ų65.66%0.05733%0.328CS..  trans-82.4119.6176.5-74.1-89000111.8W46 L49 F75 I77 A114 V117 V118 I124 R125 W130 R131W46-W127 HydrophobicContact CH2-CH2 4.23Å; W46-W127 HydrophobicContact CH2-CZ3 4.49Å; W46-W127 HydrophobicContact CZ3-CH2 4.06Å; W46-W127 HydrophobicContact CZ3-CZ3 4.39Å; L49-W127 HydrophobicContact CD1-CB 3.96Å; L49-W127 HydrophobicContact CD1-CD2 3.63Å; L49-W127 HydrophobicContact CD1-CE3 3.88Å; L49-W127 HydrophobicContact CD1-CG 3.67Å; L49-W127 HydrophobicContact CD1-CZ3 4.47Å; L49-W127 HydrophobicContact CD2-CG 4.34Å; L49-W127 HydrophobicContact CG-CB 4.31Å; L49-W127 HydrophobicContact CG-CD2 4.49Å; L49-W127 HydrophobicContact CG-CG 4.12Å; F75-W127 PolarHBondContact O-NE1 3.45Å; I77-W127 HydrophobicContact CG1-CZ2 4.29Å; A114-W127 HydrophobicContact CB-CH2 4.33Å; A114-W127 HydrophobicContact CB-CZ2 4.47Å; V117-W127 HydrophobicContact CB-CH2 3.43Å; V117-W127 VanDerWaalsContact CB-CH2 3.43Å; V117-W127 HydrophobicContact CB-CZ2 4.17Å; V117-W127 HydrophobicContact CB-CZ3 3.9Å; V117-W127 HydrophobicContact CG1-CE3 4.08Å; V117-W127 HydrophobicContact CG1-CH2 3.29Å; V117-W127 HydrophobicContact CG1-CZ2 3.98Å; V117-W127 HydrophobicContact CG1-CZ3 3.31Å; V117-W127 HydrophobicContact CG2-CH2 3.94Å; V117-W127 HydrophobicContact CG2-CZ2 4.2Å; V118-W127 HydrophobicContact CG1-CH2 4.25Å; V118-W127 HydrophobicContact CG1-CZ3 3.76Å; I124-W127 HydrophobicContact CG1-CE3 4.25Å; I124-W127 PolarHBondContact O-N 2.89Å; R125-W127 PolarHBondContact O-N 2.83Å; W127-W130 HydrophobicContact CB-CB 3.97Å; W127-R131 PolarHBondContact O-N 3.49Å
128V97.5Very high98.2Very high97 Ų9771.1 Ų71.159%0.58836%0.358SS*.Hα-helixtrans-65.5-43.4179.3179.70000110.4W130 R131 A132V128-W130 PolarHBondContact O-N 2.9Å; V128-R131 PolarHBondContact O-N 3.05Å; V128-A132 PolarHBondContact O-N 3.37Å
129A98.1Very high98.2Very high14 Ų1471.9 Ų71.912%0.11636%0.362CS..Hα-helixtrans-66.6-38.2-177.700000111.6H52 E53 R131 A132 H133H52-A129 HydrophobicContact CB-CB 3.93Å; E53-A129 VanDerWaalsContact CD-CB 3.41Å; E53-A129 HydrophobicContact CG-CB 3.98Å; E53-A129 WeakPolarHBondContact OE1-CB 3.36Å; E53-A129 PolarHBondContact OE1-N 3.27Å; A129-R131 PolarHBondContact O-N 3.41Å; A129-A132 PolarHBondContact O-N 3.12Å; A129-H133 WeakPolarHBondContact O-CB 3.24Å; A129-H133 PolarHBondContact O-CD2 3.21Å; A129-H133 VanDerWaalsContact O-CD2 3.26Å; A129-H133 PolarHBondContact O-N 3.44Å
130W98.7Very high98.2Very high20 Ų2067.8 Ų67.88%0.07635%0.353CS..Hα-helixtrans-61.3-43.8174.7-179.789.2000112D45 L49 I124 R125 W127 V128 A132 H133 C134 Q135D45-W130 WeakPolarHBondContact OD1-CZ2 3.39Å; D45-W130 PolarHBondContact OD1-NE1 3.21Å; L49-W130 HydrophobicContact CB-CB 4.28Å; L49-W130 HydrophobicContact CD1-CB 4.09Å; L49-W130 HydrophobicContact CD1-CG 4.42Å; L49-W130 HydrophobicContact CG-CB 4.13Å; I124-W130 HydrophobicContact CD1-CD2 4.03Å; I124-W130 HydrophobicContact CD1-CG 3.91Å; I124-W130 HydrophobicContact CD1-CZ2 4.45Å; I124-W130 HydrophobicContact CG1-CB 4.45Å; I124-W130 HydrophobicContact CG1-CD2 3.74Å; I124-W130 HydrophobicContact CG1-CE3 4.28Å; I124-W130 HydrophobicContact CG1-CG 3.79Å; I124-W130 HydrophobicContact CG2-CD2 4.1Å; I124-W130 HydrophobicContact CG2-CE3 4.06Å; I124-W130 HydrophobicContact CG2-CH2 3.69Å; I124-W130 HydrophobicContact CG2-CZ2 3.71Å; I124-W130 HydrophobicContact CG2-CZ3 3.88Å; R125-W130 HydrophobicContact CG-CZ3 3.86Å; W127-W130 HydrophobicContact CB-CB 3.97Å; V128-W130 PolarHBondContact O-N 2.9Å; W130-A132 VanDerWaalsContact C-N 3.32Å; W130-A132 PolarHBondContact O-N 2.88Å; W130-H133 PolarHBondContact O-N 3.45Å; W130-C134 HydrophobicContact CB-CB 4.49Å; W130-C134 HydrophobicContact CD2-CB 4.28Å; W130-C134 HydrophobicContact CG-CB 3.83Å; W130-C134 WeakPolarHBondContact O-CA 2.94Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.49Å; W130-C134 PolarHBondContact O-N 3.18Å; W130-Q135 HydrophobicContact CE3-CB 4.12Å; W130-Q135 HydrophobicContact CH2-CB 3.78Å; W130-Q135 HydrophobicContact CH2-CG 3.69Å; W130-Q135 HydrophobicContact CZ2-CB 4.32Å; W130-Q135 HydrophobicContact CZ3-CB 3.64Å; W130-Q135 HydrophobicContact CZ3-CG 3.75Å; W130-Q135 PolarHBondContact O-N 3.16Å
131R98.5Very high98.3Very high104 Ų10470.3 Ų70.339%0.39236%0.363SS..Hα-helixtrans-60.5-42.4175.9-71.8-173.7-72.2169.6-6.8112.1R125 W127 V128 A129R125-R131 HydrophobicContact CB-CG 4.26Å; R125-R131 VanDerWaalsContact O-CD 3.27Å; R125-R131 WeakPolarHBondContact O-CD 3.3Å; R125-R131 PolarHBondContact O-NE 3.03Å; W127-R131 PolarHBondContact O-N 3.49Å; V128-R131 PolarHBondContact O-N 3.05Å; A129-R131 PolarHBondContact O-N 3.41Å
132A98.5Very high98.3Very high50 Ų5065.3 Ų65.341%0.41333%0.327SS..Hα-helixtrans-71.8-39.6-177.400000112.8V128 A129 W130 R137V128-A132 PolarHBondContact O-N 3.37Å; A129-A132 PolarHBondContact O-N 3.12Å; W130-A132 VanDerWaalsContact C-N 3.32Å; W130-A132 PolarHBondContact O-N 2.88Å; A132-R137 PolarHBondContact O-NH2 2.8Å
133H98.7Very high98.4Very high83 Ų8362.5 Ų62.538%0.38432%0.315SS..Hα-helixtrans-115.2-15.6-165.2-60.8-75000115.4H52 A129 W130 R137H52-H133 HydrophobicContact CB-CB 4.26Å; H52-H133 VanDerWaalsContact CD2-CB 3.44Å; H52-H133 WeakPolarHBondContact CD2-CB 3.35Å; H52-H133 AromaticContact CE1-CG 3.86Å; H52-H133 AromaticContact CG-CD2 3.92Å; H52-H133 AromaticContact CG-CG 3.7Å; H52-H133 AromaticContact ND1-CD2 3.86Å; H52-H133 AromaticContact ND1-CG 3.53Å; H52-H133 AromaticContact ND1-ND1 3.85Å; A129-H133 WeakPolarHBondContact O-CB 3.24Å; A129-H133 PolarHBondContact O-CD2 3.21Å; A129-H133 VanDerWaalsContact O-CD2 3.26Å; A129-H133 PolarHBondContact O-N 3.44Å; W130-H133 PolarHBondContact O-N 3.45Å; H133-R137 WeakPolarHBondContact O-CD 3.05Å; H133-R137 PolarHBondContact O-NE 2.98Å
134C98.7Very high98.4Very high1 Ų167.9 Ų67.91%0.00733%0.331CS..THydrogen-bonded Turntrans-121-39-171.9-51.80000113.2C48 W130 N136 R137 L139C48-C134 HydrophobicContact CB-CB 3.89Å; C48-C134 WeakPolarHBondContact CB-SG 3.1Å; C48-C134 VanDerWaalsContact SG-CA 3.55Å; C48-C134 WeakPolarHBondContact SG-CB 3.42Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 3.16Å; W130-C134 HydrophobicContact CB-CB 4.49Å; W130-C134 HydrophobicContact CD2-CB 4.28Å; W130-C134 HydrophobicContact CG-CB 3.83Å; W130-C134 WeakPolarHBondContact O-CA 2.94Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.49Å; W130-C134 PolarHBondContact O-N 3.18Å; C134-N136 PolarHBondContact O-N 3.03Å; C134-R137 PolarHBondContact O-N 3.26Å; C134-L139 HydrophobicContact CB-CD1 4.11Å; C134-L139 HydrophobicContact CB-CD2 4.22Å
135Q98.4Very high98.4Very high52 Ų5274.1 Ų74.124%0.24337%0.365CS..THydrogen-bonded Turntrans-58.4132.7-174.6-172.2171.912.900112.3W130 R137W130-Q135 HydrophobicContact CE3-CB 4.12Å; W130-Q135 HydrophobicContact CH2-CB 3.78Å; W130-Q135 HydrophobicContact CH2-CG 3.69Å; W130-Q135 HydrophobicContact CZ2-CB 4.32Å; W130-Q135 HydrophobicContact CZ3-CB 3.64Å; W130-Q135 HydrophobicContact CZ3-CG 3.75Å; W130-Q135 PolarHBondContact O-N 3.16Å; Q135-R137 VanDerWaalsContact C-N 3.29Å; Q135-R137 PolarHBondContact O-N 3.45Å
136N98Very high98.4Very high158 Ų15867.5 Ų67.585%0.84534%0.34SS*.THydrogen-bonded Turntrans58.433.8177.7-54.8-30.7000114.3C134C134-N136 PolarHBondContact O-N 3.03Å
137R98.3Very high98.4Very high150 Ų15069.8 Ų69.857%0.56637%0.367SS*.SBendtrans-122.5160.7176.4-58.2-176.8-170.5-139.64.2111A132 H133 C134 Q135 L139A132-R137 PolarHBondContact O-NH2 2.8Å; H133-R137 WeakPolarHBondContact O-CD 3.05Å; H133-R137 PolarHBondContact O-NE 2.98Å; C134-R137 PolarHBondContact O-N 3.26Å; Q135-R137 VanDerWaalsContact C-N 3.29Å; Q135-R137 PolarHBondContact O-N 3.45Å; R137-L139 HydrophobicContact CB-CD2 4.13Å; R137-L139 PolarHBondContact O-N 3.3Å
138D98.5Very high98.3Very high117 Ų11772 Ų7263%0.62638%0.382SS*.  trans-72.1111.2166.6178.416.4000109.9S140D138-S140 VanDerWaalsContact CG-OG 3.28Å; D138-S140 WeakPolarHBondContact OD1-CB 3.26Å; D138-S140 PolarHBondContact OD1-N 3.31Å; D138-S140 PolarHBondContact OD1-OG 2.95Å; D138-S140 PolarHBondContact OD2-OG 3.22Å
139L98.7Very high98.4Very high16 Ų1670.8 Ų70.88%0.08437%0.372CS..  trans-97.57.6179.1-54.5-173.5000113A44 D45 C48 C134 R137 Q141 Y142A44-L139 HydrophobicContact CB-CB 3.65Å; A44-L139 WeakPolarHBondContact CB-O 3.48Å; D45-L139 HydrophobicContact CB-CD1 4.45Å; D45-L139 VanDerWaalsContact OD1-CD1 3.25Å; D45-L139 WeakPolarHBondContact OD1-CD1 3.45Å; C48-L139 HydrophobicContact CB-CD1 4.14Å; C48-L139 HydrophobicContact CB-CD2 4.19Å; C134-L139 HydrophobicContact CB-CD1 4.11Å; C134-L139 HydrophobicContact CB-CD2 4.22Å; R137-L139 HydrophobicContact CB-CD2 4.13Å; R137-L139 PolarHBondContact O-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.74Å; L139-Y142 HydrophobicContact CB-CD2 3.9Å; L139-Y142 HydrophobicContact CB-CE2 4.5Å; L139-Y142 HydrophobicContact CD2-CD2 3.96Å; L139-Y142 HydrophobicContact CD2-CE2 3.7Å; L139-Y142 HydrophobicContact CG-CD2 4.49Å; L139-Y142 WeakPolarHBondContact O-CB 3.42Å; L139-Y142 WeakPolarHBondContact O-CD2 3.47Å; L139-Y142 PolarHBondContact O-N 3.33Å
140S98.5Very high98.4Very high43 Ų4373.7 Ų73.730%0.30139%0.385SS..Hα-helixtrans-52.8-34.5-177.966.10000113D138 Y142 I143 R144D138-S140 VanDerWaalsContact CG-OG 3.28Å; D138-S140 WeakPolarHBondContact OD1-CB 3.26Å; D138-S140 PolarHBondContact OD1-N 3.31Å; D138-S140 PolarHBondContact OD1-OG 2.95Å; D138-S140 PolarHBondContact OD2-OG 3.22Å; S140-Y142 PolarHBondContact O-N 3.03Å; S140-I143 PolarHBondContact O-N 3.14Å; S140-R144 WeakPolarHBondContact O-CB 3.27Å; S140-R144 PolarHBondContact O-N 3.18Å; S140-R144 PolarHBondContact OG-NH2 2.6Å
141Q98.4Very high98.4Very high104 Ų10476.7 Ų76.749%0.48640%0.403SS..Hα-helixtrans-59.3-29.6177.466.3-179.3-42.500114R23 L139 I143R23-Q141 PolarHBondContact NH1-O 2.98Å; L139-Q141 PolarHBondContact O-N 2.74Å; Q141-I143 VanDerWaalsContact C-N 3.25Å; Q141-I143 PolarHBondContact O-N 2.89Å
142Y98.7Very high98.4Very high26 Ų2675.1 Ų75.110%0.10240%0.403CS..Hα-helixtrans-71.4-22.5-176.7-70.5-78.3000112.7R23 V47 C48 Q51 H52 L139 S140R23-Y142 WeakPolarHBondContact CD-O 2.91Å; R23-Y142 WeakPolarHBondContact CG-O 3.26Å; R23-Y142 PolarHBondContact NH1-O 3.07Å; V47-Y142 HydrophobicContact CG1-CD1 4.19Å; V47-Y142 HydrophobicContact CG1-CG 4.48Å; V47-Y142 WeakPolarHBondContact CG1-O 3.4Å; C48-Y142 HydrophobicContact CB-CD1 4.05Å; C48-Y142 HydrophobicContact CB-CD2 3.71Å; C48-Y142 HydrophobicContact CB-CE1 3.94Å; C48-Y142 HydrophobicContact CB-CE2 3.6Å; C48-Y142 HydrophobicContact CB-CG 3.93Å; C48-Y142 WeakPolarHBondContact SG-CE2 3.37Å; C48-Y142 PolarHBondContact SG-OH 3.16Å; C48-Y142 VanDerWaalsContact SG-OH 3.4Å; Q51-Y142 HydrophobicContact CB-CE1 4.01Å; Q51-Y142 HydrophobicContact CG-CE1 4.08Å; H52-Y142 PolarHBondContact NE2-OH 3.48Å; L139-Y142 HydrophobicContact CB-CD2 3.9Å; L139-Y142 HydrophobicContact CB-CE2 4.5Å; L139-Y142 HydrophobicContact CD2-CD2 3.96Å; L139-Y142 HydrophobicContact CD2-CE2 3.7Å; L139-Y142 HydrophobicContact CG-CD2 4.49Å; L139-Y142 WeakPolarHBondContact O-CB 3.42Å; L139-Y142 WeakPolarHBondContact O-CD2 3.47Å; L139-Y142 PolarHBondContact O-N 3.33Å; S140-Y142 PolarHBondContact O-N 3.03Å
143I98.7Very high98.3Very high55 Ų5576.7 Ų76.728%0.28240%0.403SS..Hα-helixtrans-116.4-4.2177.759.5170.3000113.6L43 A44 S140 Q141 N145 C146 V148L43-I143 HydrophobicContact CB-CG2 4.38Å; L43-I143 HydrophobicContact CD2-CG2 4.08Å; L43-I143 HydrophobicContact CG-CG2 3.91Å; A44-I143 HydrophobicContact CB-CD1 4.37Å; A44-I143 HydrophobicContact CB-CG1 4.34Å; A44-I143 HydrophobicContact CB-CG2 4.1Å; S140-I143 PolarHBondContact O-N 3.14Å; Q141-I143 VanDerWaalsContact C-N 3.25Å; Q141-I143 PolarHBondContact O-N 2.89Å; I143-N145 PolarHBondContact O-N 2.98Å; I143-C146 WeakPolarHBondContact O-CB 3.48Å; I143-C146 PolarHBondContact O-N 3.29Å; I143-C146 VanDerWaalsContact O-N 3.17Å; I143-C146 PolarHBondContact O-SG 2.96Å; I143-V148 HydrophobicContact CB-CG2 3.94Å; I143-V148 HydrophobicContact CG2-CG2 4.2Å
144R98.6Very high98.3Very high127 Ų12776.3 Ų76.348%0.47940%0.404SS..THydrogen-bonded Turntrans-54.6132.5-179.5-169.2176.2-62.91321.9111.2R23 S140 C146R23-R144 PolarHBondContact NH1-O 3.42Å; R23-R144 VanDerWaalsContact NH1-O 3.11Å; R23-R144 PolarHBondContact NH2-O 3.45Å; S140-R144 WeakPolarHBondContact O-CB 3.27Å; S140-R144 PolarHBondContact O-N 3.18Å; S140-R144 PolarHBondContact OG-NH2 2.6Å; R144-C146 PolarHBondContact O-N 3.42Å
145N98.4Very high98.3Very high149 Ų14981.6 Ų81.680%0.79743%0.432SS*.THydrogen-bonded Turntrans59.920.4178.6-54.2-24.9000115.2I143I143-N145 PolarHBondContact O-N 2.98Å
146C98.5Very high98.3Very high2 Ų283.9 Ų83.91%0.01445%0.447CS..SBendtrans-90.7-13.9177.5-59.80000114.4R23 C24 A27 R28 I143 R144 V148R23-C146 PolarHBondContact NH1-SG 3.14Å; C24-C146 WeakPolarHBondContact CA-SG 3.33Å; C24-C146 HydrophobicContact CB-CB 3.68Å; C24-C146 WeakPolarHBondContact CB-SG 3.11Å; C24-C146 WeakPolarHBondContact SG-CA 3.3Å; C24-C146 WeakPolarHBondContact SG-CB 3.33Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 2.86Å; A27-C146 HydrophobicContact CB-CB 4.47Å; R28-C146 VanDerWaalsContact CZ-O 3.26Å; R28-C146 PolarHBondContact NE-O 3.49Å; R28-C146 PolarHBondContact NH2-O 2.6Å; I143-C146 WeakPolarHBondContact O-CB 3.48Å; I143-C146 PolarHBondContact O-N 3.29Å; I143-C146 VanDerWaalsContact O-N 3.17Å; I143-C146 PolarHBondContact O-SG 2.96Å; R144-C146 PolarHBondContact O-N 3.42Å; C146-V148 HydrophobicContact CB-CG1 4.3Å; C146-V148 HydrophobicContact CB-CG2 3.91Å
147G97.9Very high98.3Very high83 Ų8377.8 Ų77.886%0.85641%0.413SS*.  trans68.439.9-175.300000112.6
148V96.6Very high98.3Very high61 Ų6171.2 Ų71.237%0.3740%0.4SS..  trans-123.40-179.8-64.50000110.7A27 R28 K31 L43 I143 C146A27-V148 HydrophobicContact CB-CG2 4.45Å; R28-V148 HydrophobicContact CB-CG1 4.34Å; R28-V148 HydrophobicContact CG-CG1 3.55Å; K31-V148 HydrophobicContact CD-CB 3.79Å; K31-V148 HydrophobicContact CD-CG1 4.11Å; K31-V148 WeakPolarHBondContact CD-OXT 3.46Å; K31-V148 WeakPolarHBondContact CE-OXT 3.25Å; K31-V148 PolarHBondContact NZ-OXT 2.67Å; L43-V148 HydrophobicContact CD2-CB 3.71Å; L43-V148 HydrophobicContact CD2-CG1 4.38Å; L43-V148 HydrophobicContact CD2-CG2 3.52Å; I143-V148 HydrophobicContact CB-CG2 3.94Å; I143-V148 HydrophobicContact CG2-CG2 4.2Å; C146-V148 HydrophobicContact CB-CG1 4.3Å; C146-V148 HydrophobicContact CB-CG2 3.91Å

Retrieved 148 of 148 residues in 87.6 ms (Link to these results)

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