A0A087X973_POEFO Loading...

CCR4-NOT transcription complex subunit 4

Has E3 ubiquitin ligase activity, promoting ubiquitination and degradation of target proteins. Involved in activation of the JAK/STAT pathway. Catalyzes ubiquitination of methylated RBM15. Plays a role in quality control of translation of mitochondrial outer membrane-localized mRNA. As part of the PINK1-regulated signaling, upon mitochondria damage, ubiquitinates ABCE1 and thereby recruits autophagy receptors to the mitochondrial outer membrane to initiate mitophagy.

AlphaFold DB , UniProt , Accession A0A087X973, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 802 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
1M30.9Very low38Very low228 Ų228142.5 Ų142.5100%1.12376%0.761SS**  087.10-75.6159.1153.200108.1H3M1-H3 PolarHBondContact O-N 3.37Å
2S31.2Very low40.6Very low122 Ų122139.8 Ų139.885%0.85374%0.743SS**  trans-82.9105.3171.423.20000107.9S4S2-S4 PolarHBondContact O-N 2.92Å; S2-S4 VanDerWaalsContact O-N 3.16Å
3H31.9Very low43.8Very low174 Ų174136.1 Ų136.181%0.80672%0.719SS**  trans-70.9107.1167.8-71.3-97.5000107.6M1M1-H3 PolarHBondContact O-N 3.37Å
4S30.1Very low46.7Very low103 Ų103126.4 Ų126.472%0.7267%0.667SS**  trans-56.1136.3158.5-730000107.8S2 E6S2-S4 PolarHBondContact O-N 2.92Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S4-E6 PolarHBondContact O-N 3.02Å; S4-E6 VanDerWaalsContact O-N 3.08Å
5P37.9Very low49.1Very low114 Ų114122.7 Ų122.774%0.7465%0.654SS**  trans-62.3117.2169.926.9-32.2000107.7M7P5-M7 PolarHBondContact O-N 3.36Å
6E35.9Very low51.1Low193 Ų193118.6 Ų118.690%0.90263%0.632SS**  trans-60.6109.5159.1-76.5-175.383.200106.5S4 K8S4-E6 PolarHBondContact O-N 3.02Å; S4-E6 VanDerWaalsContact O-N 3.08Å; E6-K8 PolarHBondContact O-N 2.86Å
7M32.7Very low53.1Low171 Ų171113.9 Ų113.984%0.84261%0.61SS**  trans-59.1107.6163.7-68.8178.1179.500106.2P5 D9P5-M7 PolarHBondContact O-N 3.36Å; M7-D9 PolarHBondContact O-N 3.05Å
8K31.5Very low54.8Low170 Ų170115.6 Ų115.674%0.73962%0.616SS**  trans-5895.6158.1-100.9171.5148.1-91.40106.4E6 D10E6-K8 PolarHBondContact O-N 2.86Å; K8-D10 WeakPolarHBondContact CB-OD2 2.99Å; K8-D10 VanDerWaalsContact CD-OD2 3.31Å; K8-D10 WeakPolarHBondContact CD-OD2 3.43Å; K8-D10 WeakPolarHBondContact CE-OD2 3.36Å; K8-D10 WeakPolarHBondContact CG-OD2 3.38Å; K8-D10 IonicContact NZ-OD1 3.32Å; K8-D10 IonicContact NZ-OD2 3.12Å; K8-D10 PolarHBondContact NZ-OD2 3.14Å; K8-D10 PolarHBondContact O-N 3.28Å
9D43.3Very low56.3Low124 Ų124115.4 Ų115.466%0.66361%0.611SS**  trans-69.553.1158.8-148.9-115.1000106M7 P11 K82M7-D9 PolarHBondContact O-N 3.05Å; D9-P11 WeakPolarHBondContact O-CD 3.39Å; D9-K82 VanDerWaalsContact CG-NZ 3.27Å; D9-K82 IonicContact OD1-NZ 2.93Å; D9-K82 PolarHBondContact OD1-NZ 3.27Å; D9-K82 IonicContact OD2-NZ 2.69Å; D9-K82 PolarHBondContact OD2-NZ 3.47Å
10D51.5Low57.6Low96 Ų96113.8 Ų113.851%0.51361%0.607SS.*  trans-61.1117.3164.9-100.2-80000104.5K8 M12K8-D10 WeakPolarHBondContact CB-OD2 2.99Å; K8-D10 VanDerWaalsContact CD-OD2 3.31Å; K8-D10 WeakPolarHBondContact CD-OD2 3.43Å; K8-D10 WeakPolarHBondContact CE-OD2 3.36Å; K8-D10 WeakPolarHBondContact CG-OD2 3.38Å; K8-D10 IonicContact NZ-OD1 3.32Å; K8-D10 IonicContact NZ-OD2 3.12Å; K8-D10 PolarHBondContact NZ-OD2 3.14Å; K8-D10 PolarHBondContact O-N 3.28Å; D10-M12 PolarHBondContact O-N 3.21Å; D10-M12 VanDerWaalsContact O-N 3.12Å
11P60.9Low58.7Low73 Ų73109.1 Ų109.147%0.47458%0.582SS.*  trans-61.3123.1-178.524.8-31.9000107.9D9 E13 P20D9-P11 WeakPolarHBondContact O-CD 3.39Å; P11-E13 PolarHBondContact O-N 3.36Å; P11-P20 HydrophobicContact CB-CB 3.92Å; P11-P20 HydrophobicContact CB-CG 4.1Å; P11-P20 HydrophobicContact CG-CG 4.46Å
12M68.8Low60.8Low110 Ų110104.3 Ų104.354%0.54256%0.557SS.*  trans-60.6103.5173.5-69.2-74.2-71.200107D10 L21D10-M12 PolarHBondContact O-N 3.21Å; D10-M12 VanDerWaalsContact O-N 3.12Å; M12-L21 HydrophobicContact CB-CD1 4.06Å; M12-L21 WeakPolarHBondContact O-CB 3.43Å; M12-L21 WeakPolarHBondContact O-CD1 3.26Å; M12-L21 WeakPolarHBondContact O-CG 3.37Å; M12-L21 PolarHBondContact O-N 2.92Å
13E83Confident62.8Low91 Ų91102.7 Ų102.743%0.42554%0.538SS..BIsolated β-bridgetrans-94.8142.1-168.2-160.6-178.299.300110.5P11 P15 M18P11-E13 PolarHBondContact O-N 3.36Å; E13-P15 WeakPolarHBondContact O-CD 3.26Å; E13-M18 VanDerWaalsContact OE1-CA 3.26Å; E13-M18 WeakPolarHBondContact OE1-CA 3.16Å; E13-M18 WeakPolarHBondContact OE1-CB 3.45Å
14C84.3Confident64.5Low0 Ų098.7 Ų98.70%052%0.522CS..  trans-70.6119.4176.7176.90000110.3L16 C17 M18 E19 L21 C38C14-L16 PolarHBondContact O-N 2.93Å; C14-C17 WeakPolarHBondContact CB-SG 3.44Å; C14-C17 PolarHBondContact O-N 3.26Å; C14-M18 WeakPolarHBondContact O-CA 3.25Å; C14-M18 PolarHBondContact O-N 3.05Å; C14-E19 PolarHBondContact N-O 3.38Å; C14-L21 HydrophobicContact CB-CD2 3.9Å; C14-L21 HydrophobicContact CB-CG 4.42Å; C14-C38 HydrophobicContact CB-CB 3.99Å; C14-C38 PolarHBondContact SG-N 2.62Å; C14-C38 VanDerWaalsContact SG-SG 3.63Å
15P82.4Confident66.7Low71 Ų7194.4 Ų94.446%0.46149%0.491SS..THydrogen-bonded Turntrans-72.616.4-175.732.3-38.3000114.6E13 Y35 Q36 I37E13-P15 WeakPolarHBondContact O-CD 3.26Å; P15-Y35 HydrophobicContact CG-CE2 3.88Å; P15-Q36 VanDerWaalsContact CD-O 3.32Å; P15-Q36 WeakPolarHBondContact CD-O 3.13Å; P15-Q36 WeakPolarHBondContact CG-O 3.29Å; P15-I37 HydrophobicContact CG-CG2 4.26Å
16L82.1Confident68.5Low58 Ų5891.5 Ų91.530%0.30447%0.471SS..THydrogen-bonded Turntrans-126.2-32.2-179.9-65.2-179.9000114.2C14 I37 C41 I45 P54C14-L16 PolarHBondContact O-N 2.93Å; L16-I37 HydrophobicContact CD1-CB 4.02Å; L16-I37 HydrophobicContact CD1-CD1 4.08Å; L16-I37 HydrophobicContact CD1-CG2 3.5Å; L16-I37 VanDerWaalsContact CD1-CG2 3.5Å; L16-I37 HydrophobicContact CG-CG2 3.9Å; L16-C41 HydrophobicContact CB-CB 4.15Å; L16-C41 HydrophobicContact CD1-CB 3.77Å; L16-I45 HydrophobicContact CD1-CD1 3.53Å; L16-P54 HydrophobicContact CD1-CG 4.28Å; L16-P54 HydrophobicContact CD2-CG 4.27Å
17C84Confident70.2Confident39 Ų3985.5 Ų85.526%0.26445%0.445SS..THydrogen-bonded Turntrans-114.1-10.1175.556.20000113.8C14 E19C14-C17 WeakPolarHBondContact CB-SG 3.44Å; C14-C17 PolarHBondContact O-N 3.26Å; C17-E19 HydrophobicContact CB-CG 4.2Å; C17-E19 WeakPolarHBondContact CB-OE2 3.17Å; C17-E19 PolarHBondContact O-N 3.03Å; C17-E19 PolarHBondContact SG-OE2 2.74Å
18M83.5Confident72.2Confident144 Ų14477.7 Ų77.771%0.70941%0.407SS*.  trans58.635.7-175.5-59.2-177.264.600113.2E13 C14E13-M18 VanDerWaalsContact OE1-CA 3.26Å; E13-M18 WeakPolarHBondContact OE1-CA 3.16Å; E13-M18 WeakPolarHBondContact OE1-CB 3.45Å; C14-M18 WeakPolarHBondContact O-CA 3.25Å; C14-M18 PolarHBondContact O-N 3.05Å
19E83.1Confident74.5Confident111 Ų11173.4 Ų73.452%0.51939%0.388SS..  trans-110.4141.8175.3-62.6172.7126.400109.9C14 C17 L21C14-E19 PolarHBondContact N-O 3.38Å; C17-E19 HydrophobicContact CB-CG 4.2Å; C17-E19 WeakPolarHBondContact CB-OE2 3.17Å; C17-E19 PolarHBondContact O-N 3.03Å; C17-E19 PolarHBondContact SG-OE2 2.74Å; E19-L21 PolarHBondContact O-N 3.36Å
20P82.9Confident76.1Confident83 Ų8367.6 Ų67.654%0.53936%0.358SS..BIsolated β-bridgetrans-53.1129.3170.9-28.537000111.9P11 E22P11-P20 HydrophobicContact CB-CB 3.92Å; P11-P20 HydrophobicContact CB-CG 4.1Å; P11-P20 HydrophobicContact CG-CG 4.46Å; P20-E22 PolarHBondContact O-N 3.45Å
21L80.8Confident77.4Confident17 Ų1763.2 Ų63.29%0.08933%0.334CS..PPolyproline II helixtrans-64.8128.7172.8-64.7163.6000109.1M12 C14 E19 D25 V26 Q36 C38M12-L21 HydrophobicContact CB-CD1 4.06Å; M12-L21 WeakPolarHBondContact O-CB 3.43Å; M12-L21 WeakPolarHBondContact O-CD1 3.26Å; M12-L21 WeakPolarHBondContact O-CG 3.37Å; M12-L21 PolarHBondContact O-N 2.92Å; C14-L21 HydrophobicContact CB-CD2 3.9Å; C14-L21 HydrophobicContact CB-CG 4.42Å; E19-L21 PolarHBondContact O-N 3.36Å; L21-D25 HydrophobicContact CB-CB 4.13Å; L21-D25 HydrophobicContact CD2-CB 3.99Å; L21-V26 HydrophobicContact CB-CG2 4.08Å; L21-Q36 HydrophobicContact CD1-CG 3.83Å; L21-C38 HydrophobicContact CD2-CB 3.72Å
22E75.1Confident78.2Confident127 Ų12764.7 Ų64.759%0.59334%0.342SS*.PPolyproline II helixtrans-62.4159.7170.6-62-166153.900110.6P20 D24 D25 V26P20-E22 PolarHBondContact O-N 3.45Å; E22-D24 PolarHBondContact O-N 3.35Å; E22-D24 VanDerWaalsContact O-N 3.08Å; E22-D25 WeakPolarHBondContact O-CA 3.42Å; E22-D25 WeakPolarHBondContact O-CB 3.17Å; E22-D25 PolarHBondContact O-N 2.87Å; E22-V26 WeakPolarHBondContact O-CG2 3.29Å; E22-V26 PolarHBondContact O-N 3.3Å; E22-V26 VanDerWaalsContact O-N 3.08Å
23I72.3Confident78.7Confident87 Ų8762.3 Ų62.345%0.44634%0.335SS..THydrogen-bonded Turntrans-56.3-35-172.9-68.969.1000111.2L70 I75I23-L70 HydrophobicContact CG2-CD1 3.95Å; I23-I75 HydrophobicContact CG2-CG1 4.44Å; I23-I75 HydrophobicContact CG2-CG2 4.41Å
24D67.8Low78.4Confident90 Ų9060.1 Ų60.148%0.48134%0.338SS..THydrogen-bonded Turntrans-74.9-24.2177.6-58.3-86000113.8E22 I75E22-D24 PolarHBondContact O-N 3.35Å; E22-D24 VanDerWaalsContact O-N 3.08Å; D24-I75 WeakPolarHBondContact OD1-CD1 3.49Å
25D76.3Confident78.4Confident13 Ų1362.9 Ų62.97%0.0735%0.348CS..THydrogen-bonded Turntrans-87.5-18177-88.25000113L21 E22 N27 F28 Q36 C38 R39L21-D25 HydrophobicContact CB-CB 4.13Å; L21-D25 HydrophobicContact CD2-CB 3.99Å; E22-D25 WeakPolarHBondContact O-CA 3.42Å; E22-D25 WeakPolarHBondContact O-CB 3.17Å; E22-D25 PolarHBondContact O-N 2.87Å; D25-N27 PolarHBondContact O-N 2.65Å; D25-N27 VanDerWaalsContact O-N 3.11Å; D25-F28 WeakPolarHBondContact O-CB 3.47Å; D25-F28 PolarHBondContact O-N 3.49Å; D25-Q36 PolarHBondContact O-NE2 3.09Å; D25-C38 WeakPolarHBondContact OD2-CA 3.46Å; D25-C38 VanDerWaalsContact OD2-CB 3.28Å; D25-C38 WeakPolarHBondContact OD2-CB 3.25Å; D25-R39 WeakPolarHBondContact OD1-CB 3.38Å; D25-R39 PolarHBondContact OD2-N 2.86Å
26V77.3Confident78.5Confident53 Ų5360.8 Ų60.832%0.32133%0.332SS..THydrogen-bonded Turntrans-61.4-18176.1170.80000113L21 E22 Q36L21-V26 HydrophobicContact CB-CG2 4.08Å; E22-V26 WeakPolarHBondContact O-CG2 3.29Å; E22-V26 PolarHBondContact O-N 3.3Å; E22-V26 VanDerWaalsContact O-N 3.08Å; V26-Q36 VanDerWaalsContact CA-NE2 3.33Å; V26-Q36 PolarHBondContact O-NE2 2.7Å
27N70.3Confident78.7Confident67 Ų6758 Ų5836%0.35832%0.318SS..THydrogen-bonded Turntrans-115.212.2171.4-67.1110.3000114.1D25 F29 L70D25-N27 PolarHBondContact O-N 2.65Å; D25-N27 VanDerWaalsContact O-N 3.11Å; N27-F29 WeakPolarHBondContact O-CD2 3.41Å; N27-F29 PolarHBondContact O-N 3.04Å; N27-L70 WeakPolarHBondContact OD1-CG 3.42Å
28F75.1Confident78.9Confident8 Ų856.5 Ų56.54%0.03531%0.308CS..  trans-87.2101.3-178.7-173.4-117.1000112.2D25 P30 R39 W42D25-F28 WeakPolarHBondContact O-CB 3.47Å; D25-F28 PolarHBondContact O-N 3.49Å; F28-P30 HydrophobicContact CD1-CG 4.24Å; F28-P30 HydrophobicContact CE1-CB 3.9Å; F28-P30 HydrophobicContact CE1-CG 3.79Å; F28-P30 HydrophobicContact CZ-CB 3.82Å; F28-P30 HydrophobicContact CZ-CG 4.23Å; F28-P30 WeakPolarHBondContact O-CD 3.47Å; F28-R39 HydrophobicContact CE1-CB 4.45Å; F28-W42 HydrophobicContact CE1-CB 3.79Å; F28-W42 HydrophobicContact CE1-CD2 4.07Å; F28-W42 HydrophobicContact CE1-CE3 4.21Å; F28-W42 AromaticContact CE1-CG 3.91Å; F28-W42 HydrophobicContact CE1-CG 3.91Å; F28-W42 HydrophobicContact CZ-CB 4.36Å; F28-W42 AromaticContact CZ-CD2 3.71Å; F28-W42 HydrophobicContact CZ-CD2 3.71Å; F28-W42 AromaticContact CZ-CE3 3.71Å; F28-W42 HydrophobicContact CZ-CE3 3.71Å; F28-W42 HydrophobicContact CZ-CG 4.01Å; F28-W42 HydrophobicContact CZ-CZ3 4.24Å
29F80Confident78.9Confident80 Ų8055.8 Ų55.835%0.35130%0.297SS..  trans-110.684.4175.9-63.9-83.1000110.7N27 C31 Q36N27-F29 WeakPolarHBondContact O-CD2 3.41Å; N27-F29 PolarHBondContact O-N 3.04Å; F29-C31 PolarHBondContact O-N 3.43Å; F29-Q36 HydrophobicContact CD1-CB 4.1Å; F29-Q36 HydrophobicContact CE1-CB 3.8Å; F29-Q36 HydrophobicContact CE1-CG 4.32Å
30P77Confident79Confident2 Ų257.7 Ų57.71%0.01330%0.304CS..  trans-67.2-21.4-174.623.6-32.3000113.7F28 I37 W42 Y60F28-P30 HydrophobicContact CD1-CG 4.24Å; F28-P30 HydrophobicContact CE1-CB 3.9Å; F28-P30 HydrophobicContact CE1-CG 3.79Å; F28-P30 HydrophobicContact CZ-CB 3.82Å; F28-P30 HydrophobicContact CZ-CG 4.23Å; F28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-I37 HydrophobicContact CG-CD1 4.16Å; P30-I37 HydrophobicContact CG-CG1 3.8Å; P30-W42 HydrophobicContact CB-CD2 4.37Å; P30-W42 HydrophobicContact CB-CG 3.88Å; P30-W42 HydrophobicContact CG-CB 4.41Å; P30-W42 HydrophobicContact CG-CG 4.18Å; P30-Y60 HydrophobicContact CB-CD1 3.83Å; P30-Y60 HydrophobicContact CB-CE1 3.71Å; P30-Y60 HydrophobicContact CG-CD1 4.45Å; P30-Y60 HydrophobicContact CG-CE1 3.82Å; P30-Y60 WeakPolarHBondContact O-CD1 3.19Å
31C79.6Confident79.1Confident3 Ų353.9 Ų53.92%0.0228%0.28CS..SBendtrans-118.5141.5177.1-168.70000112.5F29 C33 G34 C53 Y60F29-C31 PolarHBondContact O-N 3.43Å; C31-C33 PolarHBondContact O-N 3.4Å; C31-G34 PolarHBondContact O-N 3.16Å; C31-C53 HydrophobicContact CB-CB 3.83Å; C31-C53 VanDerWaalsContact CB-SG 3.58Å; C31-Y60 HydrophobicContact CB-CD1 3.85Å; C31-Y60 HydrophobicContact CB-CE1 3.72Å
32T75.9Confident79.3Confident104 Ų10454.4 Ų54.464%0.63828%0.28SS*.THydrogen-bonded Turntrans-63.1-3.3176.150.70000115.1G34 A65T32-G34 VanDerWaalsContact C-N 3.31Å; T32-A65 HydrophobicContact CG2-CB 3.49Å; T32-A65 VanDerWaalsContact CG2-CB 3.49Å
33C80.6Confident79.7Confident60 Ų6053.9 Ų53.941%0.40528%0.278SS..THydrogen-bonded Turntrans-83.1-2.1168.869.50000114.2C31 Y35 C56C31-C33 PolarHBondContact O-N 3.4Å; C33-Y35 VanDerWaalsContact C-N 3.3Å; C33-Y35 PolarHBondContact O-N 3.29Å; C33-C56 HydrophobicContact CB-CB 3.81Å
34G76Confident80.3Confident46 Ų4655.2 Ų55.247%0.47428%0.277SS..  trans77.39179.300000115C31 T32 Q36C31-G34 PolarHBondContact O-N 3.16Å; T32-G34 VanDerWaalsContact C-N 3.31Å; G34-Q36 PolarHBondContact O-N 2.95Å
35Y84.6Confident81.1Confident57 Ų5751.1 Ų51.122%0.22426%0.255CS..  trans-74.9110.8176-174.1-116.2000110.9P15 C33 I37 P54 A55P15-Y35 HydrophobicContact CG-CE2 3.88Å; C33-Y35 VanDerWaalsContact C-N 3.3Å; C33-Y35 PolarHBondContact O-N 3.29Å; Y35-I37 HydrophobicContact CD1-CG2 3.8Å; Y35-I37 HydrophobicContact CE1-CG2 3.39Å; Y35-P54 HydrophobicContact CE1-CB 3.84Å; Y35-P54 HydrophobicContact CE1-CG 4Å; Y35-A55 HydrophobicContact CD1-CB 3.95Å; Y35-A55 HydrophobicContact CD2-CB 3.63Å; Y35-A55 HydrophobicContact CE1-CB 4.45Å; Y35-A55 HydrophobicContact CE2-CB 4.18Å; Y35-A55 HydrophobicContact CG-CB 3.5Å; Y35-A55 VanDerWaalsContact CG-CB 3.5Å
36Q84.3Confident81.3Confident27 Ų2755.2 Ų55.213%0.12627%0.27CS..  trans-87.4134.6-179-175.4164.723.400111.5P15 L21 D25 V26 F29 G34P15-Q36 VanDerWaalsContact CD-O 3.32Å; P15-Q36 WeakPolarHBondContact CD-O 3.13Å; P15-Q36 WeakPolarHBondContact CG-O 3.29Å; L21-Q36 HydrophobicContact CD1-CG 3.83Å; D25-Q36 PolarHBondContact O-NE2 3.09Å; V26-Q36 VanDerWaalsContact CA-NE2 3.33Å; V26-Q36 PolarHBondContact O-NE2 2.7Å; F29-Q36 HydrophobicContact CD1-CB 4.1Å; F29-Q36 HydrophobicContact CE1-CB 3.8Å; F29-Q36 HydrophobicContact CE1-CG 4.32Å; G34-Q36 PolarHBondContact O-N 2.95Å
37I87.1Confident81.4Confident0 Ų056.7 Ų56.70%028%0.279CS..  trans-148.5155.9177.459.2173.5000108.6P15 L16 P30 Y35 W42 I45 Y60P15-I37 HydrophobicContact CG-CG2 4.26Å; L16-I37 HydrophobicContact CD1-CB 4.02Å; L16-I37 HydrophobicContact CD1-CD1 4.08Å; L16-I37 HydrophobicContact CD1-CG2 3.5Å; L16-I37 VanDerWaalsContact CD1-CG2 3.5Å; L16-I37 HydrophobicContact CG-CG2 3.9Å; P30-I37 HydrophobicContact CG-CD1 4.16Å; P30-I37 HydrophobicContact CG-CG1 3.8Å; Y35-I37 HydrophobicContact CD1-CG2 3.8Å; Y35-I37 HydrophobicContact CE1-CG2 3.39Å; I37-W42 HydrophobicContact CD1-CB 3.8Å; I37-W42 HydrophobicContact CG1-CB 4.23Å; I37-I45 HydrophobicContact CD1-CD1 4.12Å; I37-Y60 VanDerWaalsContact CD1-OH 3.25Å; I37-Y60 WeakPolarHBondContact CD1-OH 3.42Å
38C86.5Confident81.8Confident8 Ų859.5 Ų59.55%0.05429%0.294CS..  trans-66.5155.5175.172.80000111.7C14 L21 D25 F40 C41 W42C14-C38 HydrophobicContact CB-CB 3.99Å; C14-C38 PolarHBondContact SG-N 2.62Å; C14-C38 VanDerWaalsContact SG-SG 3.63Å; L21-C38 HydrophobicContact CD2-CB 3.72Å; D25-C38 WeakPolarHBondContact OD2-CA 3.46Å; D25-C38 VanDerWaalsContact OD2-CB 3.28Å; D25-C38 WeakPolarHBondContact OD2-CB 3.25Å; C38-F40 VanDerWaalsContact C-N 3.25Å; C38-F40 PolarHBondContact O-N 3.34Å; C38-C41 PolarHBondContact O-N 3.07Å; C38-C41 VanDerWaalsContact O-N 3.14Å; C38-C41 PolarHBondContact SG-N 3.21Å; C38-C41 VanDerWaalsContact SG-N 3.39Å; C38-W42 PolarHBondContact O-N 3.41Å
39R84.3Confident81.9Confident128 Ų12863.7 Ų63.748%0.48331%0.314SS..Hα-helixtrans-59.5-34.9-178.8-170.6174.8-168.383.8-0.6112.7D25 F28 W42 H43D25-R39 WeakPolarHBondContact OD1-CB 3.38Å; D25-R39 PolarHBondContact OD2-N 2.86Å; F28-R39 HydrophobicContact CE1-CB 4.45Å; R39-W42 PolarHBondContact O-N 2.81Å; R39-H43 WeakPolarHBondContact O-CB 3.46Å; R39-H43 PolarHBondContact O-N 2.69Å
40F85.1Confident82Confident152 Ų15265.1 Ų65.167%0.66733%0.325SS*.Hα-helixtrans-63.7-46.8174.5-64.2-74.2000112.3C38 H43 R44C38-F40 VanDerWaalsContact C-N 3.25Å; C38-F40 PolarHBondContact O-N 3.34Å; F40-H43 PolarHBondContact O-N 3.44Å; F40-R44 PolarHBondContact O-N 2.71Å
41C85.3Confident82.1Confident3 Ų365.9 Ų65.92%0.0233%0.333CS..Hα-helixtrans-66.7-37.8177.3-74.90000112.2L16 C38 R44 I45L16-C41 HydrophobicContact CB-CB 4.15Å; L16-C41 HydrophobicContact CD1-CB 3.77Å; C38-C41 PolarHBondContact O-N 3.07Å; C38-C41 VanDerWaalsContact O-N 3.14Å; C38-C41 PolarHBondContact SG-N 3.21Å; C38-C41 VanDerWaalsContact SG-N 3.39Å; C41-R44 PolarHBondContact O-N 2.93Å; C41-I45 WeakPolarHBondContact O-CD1 3.36Å; C41-I45 VanDerWaalsContact O-CG1 3.27Å; C41-I45 WeakPolarHBondContact O-CG1 3.49Å; C41-I45 PolarHBondContact O-N 3.14Å
42W85.6Confident82.3Confident28 Ų2868.5 Ų68.511%0.10635%0.347CS..Hα-helixtrans-61.4-44.9172.5174.367.5000112.4F28 P30 I37 C38 R39 I45 R46 Y60F28-W42 HydrophobicContact CE1-CB 3.79Å; F28-W42 HydrophobicContact CE1-CD2 4.07Å; F28-W42 HydrophobicContact CE1-CE3 4.21Å; F28-W42 AromaticContact CE1-CG 3.91Å; F28-W42 HydrophobicContact CE1-CG 3.91Å; F28-W42 HydrophobicContact CZ-CB 4.36Å; F28-W42 AromaticContact CZ-CD2 3.71Å; F28-W42 HydrophobicContact CZ-CD2 3.71Å; F28-W42 AromaticContact CZ-CE3 3.71Å; F28-W42 HydrophobicContact CZ-CE3 3.71Å; F28-W42 HydrophobicContact CZ-CG 4.01Å; F28-W42 HydrophobicContact CZ-CZ3 4.24Å; P30-W42 HydrophobicContact CB-CD2 4.37Å; P30-W42 HydrophobicContact CB-CG 3.88Å; P30-W42 HydrophobicContact CG-CB 4.41Å; P30-W42 HydrophobicContact CG-CG 4.18Å; I37-W42 HydrophobicContact CD1-CB 3.8Å; I37-W42 HydrophobicContact CG1-CB 4.23Å; C38-W42 PolarHBondContact O-N 3.41Å; R39-W42 PolarHBondContact O-N 2.81Å; W42-I45 PolarHBondContact O-N 2.97Å; W42-R46 WeakPolarHBondContact O-CB 3.2Å; W42-R46 PolarHBondContact O-N 3.11Å; W42-Y60 AromaticContact CD1-CD1 3.93Å; W42-Y60 AromaticContact CD1-CD2 3.94Å; W42-Y60 AromaticContact CD1-CE1 3.79Å; W42-Y60 AromaticContact CD1-CE2 3.83Å; W42-Y60 AromaticContact CD1-CG 3.99Å; W42-Y60 AromaticContact CD1-CZ 3.75Å; W42-Y60 AromaticContact NE1-CD1 3.77Å; W42-Y60 AromaticContact NE1-CD2 3.85Å; W42-Y60 AromaticContact NE1-CG 3.61Å
43H82.8Confident82.7Confident116 Ų11663.6 Ų63.654%0.53732%0.316SS..Hα-helixtrans-63.7-42.2178.9-175.457.1000111.9R39 F40 R46 T47R39-H43 WeakPolarHBondContact O-CB 3.46Å; R39-H43 PolarHBondContact O-N 2.69Å; F40-H43 PolarHBondContact O-N 3.44Å; H43-R46 PolarHBondContact O-N 3.12Å; H43-T47 PolarHBondContact CE1-OG1 3.42Å; H43-T47 VanDerWaalsContact O-CB 3.31Å; H43-T47 WeakPolarHBondContact O-CB 3.47Å; H43-T47 PolarHBondContact O-N 3.15Å; H43-T47 PolarHBondContact O-OG1 3.38Å
44R84.6Confident83Confident115 Ų11563.4 Ų63.443%0.43431%0.314SS..Hα-helixtrans-60.5-47.9173.8-166.5177.872.1-148.41111.7F40 C41 R46 T47 D48 E49F40-R44 PolarHBondContact O-N 2.71Å; C41-R44 PolarHBondContact O-N 2.93Å; R44-R46 VanDerWaalsContact C-N 3.29Å; R44-R46 PolarHBondContact O-N 2.69Å; R44-T47 PolarHBondContact O-N 2.93Å; R44-D48 HydrophobicContact CG-CB 4.25Å; R44-D48 WeakPolarHBondContact CG-OD2 3.43Å; R44-D48 PolarHBondContact O-N 3.21Å; R44-E49 IonicContact NE-OE2 3.26Å; R44-E49 PolarHBondContact O-N 2.76Å
45I85.8Confident83.3Confident4 Ų464.3 Ų64.32%0.02132%0.317CS..Hα-helixtrans-63.6-34.3180-67.2162.4000112.1L16 I37 C41 W42 E49 G51 L52 P54 Y60L16-I45 HydrophobicContact CD1-CD1 3.53Å; I37-I45 HydrophobicContact CD1-CD1 4.12Å; C41-I45 WeakPolarHBondContact O-CD1 3.36Å; C41-I45 VanDerWaalsContact O-CG1 3.27Å; C41-I45 WeakPolarHBondContact O-CG1 3.49Å; C41-I45 PolarHBondContact O-N 3.14Å; W42-I45 PolarHBondContact O-N 2.97Å; I45-E49 WeakPolarHBondContact CG1-OE2 3.43Å; I45-E49 CarbonylContact O-C 3.4Å; I45-G51 VanDerWaalsContact O-CA 3.29Å; I45-G51 WeakPolarHBondContact O-CA 3.43Å; I45-G51 PolarHBondContact O-N 2.88Å; I45-L52 WeakPolarHBondContact CG2-O 3.26Å; I45-P54 HydrophobicContact CD1-CG 3.7Å; I45-Y60 HydrophobicContact CB-CE2 4.44Å; I45-Y60 HydrophobicContact CG2-CE2 3.82Å
46R80.6Confident83.2Confident99 Ų9963.5 Ų63.537%0.37432%0.32SS..Hα-helixtrans-76.5-25.3178-168.7175.3-176.9-174.40.1113.5W42 H43 R44 E62W42-R46 WeakPolarHBondContact O-CB 3.2Å; W42-R46 PolarHBondContact O-N 3.11Å; H43-R46 PolarHBondContact O-N 3.12Å; R44-R46 VanDerWaalsContact C-N 3.29Å; R44-R46 PolarHBondContact O-N 2.69Å; R46-E62 IonicContact CZ-OE1 2.75Å; R46-E62 IonicContact NH2-OE1 3.8Å; R46-E62 PolarHBondContact NH2-OE1 3.17Å; R46-E62 IonicContact NH2-OE2 2.67Å; R46-E62 PolarHBondContact NH2-OE2 3.41Å
47T79.3Confident83.3Confident84 Ų8471.8 Ų71.852%0.51535%0.35SS..Hα-helixtrans-105.5-45.7-171.2-48.90000112.8H43 R44H43-T47 PolarHBondContact CE1-OG1 3.42Å; H43-T47 VanDerWaalsContact O-CB 3.31Å; H43-T47 WeakPolarHBondContact O-CB 3.47Å; H43-T47 PolarHBondContact O-N 3.15Å; H43-T47 PolarHBondContact O-OG1 3.38Å; R44-T47 PolarHBondContact O-N 2.93Å
48D77.8Confident83Confident125 Ų12577.7 Ų77.767%0.66838%0.375SS*.THydrogen-bonded Turntrans-107.1-17.6-170.9-52.8-58.1000113.2R44R44-D48 HydrophobicContact CG-CB 4.25Å; R44-D48 WeakPolarHBondContact CG-OD2 3.43Å; R44-D48 PolarHBondContact O-N 3.21Å
49E78Confident82.6Confident97 Ų9781.7 Ų81.745%0.45340%0.401SS..SBendtrans-115.1-167178.1-51.8-174.154.200111.9R44 I45 G51R44-E49 IonicContact NE-OE2 3.26Å; R44-E49 PolarHBondContact O-N 2.76Å; I45-E49 WeakPolarHBondContact CG1-OE2 3.43Å; I45-E49 CarbonylContact O-C 3.4Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.16Å
50N80.8Confident82.1Confident109 Ų10976.5 Ų76.558%0.58338%0.382SS*.  trans-74.83.6-172.249.983.4000115.1L52N50-L52 HydrophobicContact CB-CG 4.36Å; N50-L52 PolarHBondContact O-N 3.23Å; N50-L52 VanDerWaalsContact O-N 3.14Å; N50-L52 VanDerWaalsContact OD1-CB 3.26Å; N50-L52 WeakPolarHBondContact OD1-CB 3.44Å; N50-L52 VanDerWaalsContact OD1-CG 3.3Å; N50-L52 WeakPolarHBondContact OD1-CG 3.5Å; N50-L52 PolarHBondContact OD1-N 2.93Å
51G78.9Confident81.4Confident18 Ų1871.5 Ų71.519%0.18636%0.364CS..SBendtrans67.48.317900000115.6I45 E49 Y60I45-G51 VanDerWaalsContact O-CA 3.29Å; I45-G51 WeakPolarHBondContact O-CA 3.43Å; I45-G51 PolarHBondContact O-N 2.88Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.16Å; G51-Y60 VanDerWaalsContact O-CD2 3.28Å; G51-Y60 WeakPolarHBondContact O-CD2 3.42Å; G51-Y60 PolarHBondContact O-N 3.4Å
52L84.8Confident80.1Confident59 Ų5978.3 Ų78.331%0.30940%0.396SS..BIsolated β-bridgetrans-96.2141.7-179.5-48.5178.8000111.2I45 N50 P54 K58 P59I45-L52 WeakPolarHBondContact CG2-O 3.26Å; N50-L52 HydrophobicContact CB-CG 4.36Å; N50-L52 PolarHBondContact O-N 3.23Å; N50-L52 VanDerWaalsContact O-N 3.14Å; N50-L52 VanDerWaalsContact OD1-CB 3.26Å; N50-L52 WeakPolarHBondContact OD1-CB 3.44Å; N50-L52 VanDerWaalsContact OD1-CG 3.3Å; N50-L52 WeakPolarHBondContact OD1-CG 3.5Å; N50-L52 PolarHBondContact OD1-N 2.93Å; L52-P54 WeakPolarHBondContact O-CD 3.2Å; L52-K58 WeakPolarHBondContact CA-O 3.32Å; L52-P59 HydrophobicContact CD2-CB 4.06Å
53C84.9Confident78.8Confident0 Ų083.7 Ų83.70%043%0.427CS..  trans-64.3124.1174.4176.10000111.2C31 A55 C56 R57 K58 Y60C31-C53 HydrophobicContact CB-CB 3.83Å; C31-C53 VanDerWaalsContact CB-SG 3.58Å; C53-A55 VanDerWaalsContact C-N 3.3Å; C53-A55 PolarHBondContact O-N 3.25Å; C53-A55 VanDerWaalsContact O-N 3.14Å; C53-C56 PolarHBondContact O-N 2.88Å; C53-R57 WeakPolarHBondContact O-CA 3.22Å; C53-R57 PolarHBondContact O-N 2.87Å; C53-K58 PolarHBondContact N-O 3.38Å; C53-Y60 HydrophobicContact CB-CD1 4.44Å; C53-Y60 HydrophobicContact CB-CE1 3.86Å; C53-Y60 HydrophobicContact CB-CE2 4.47Å
54P85.1Confident77.5Confident56 Ų5680.5 Ų80.536%0.36442%0.417SS..THydrogen-bonded Turntrans-54.8-38.8-174.5-30.436.4000114.9L16 Y35 I45 L52 Y60L16-P54 HydrophobicContact CD1-CG 4.28Å; L16-P54 HydrophobicContact CD2-CG 4.27Å; Y35-P54 HydrophobicContact CE1-CB 3.84Å; Y35-P54 HydrophobicContact CE1-CG 4Å; I45-P54 HydrophobicContact CD1-CG 3.7Å; L52-P54 WeakPolarHBondContact O-CD 3.2Å; P54-Y60 WeakPolarHBondContact CD-OH 3.43Å
55A82.6Confident76.2Confident65 Ų6577.7 Ų77.754%0.53742%0.418SS..THydrogen-bonded Turntrans-72.7-41-179.500000114.9Y35 C53Y35-A55 HydrophobicContact CD1-CB 3.95Å; Y35-A55 HydrophobicContact CD2-CB 3.63Å; Y35-A55 HydrophobicContact CE1-CB 4.45Å; Y35-A55 HydrophobicContact CE2-CB 4.18Å; Y35-A55 HydrophobicContact CG-CB 3.5Å; Y35-A55 VanDerWaalsContact CG-CB 3.5Å; C53-A55 VanDerWaalsContact C-N 3.3Å; C53-A55 PolarHBondContact O-N 3.25Å; C53-A55 VanDerWaalsContact O-N 3.14Å
56C84.2Confident74.7Confident41 Ų4182.5 Ų82.528%0.27745%0.447SS..THydrogen-bonded Turntrans-116.6-4.6-171.376.50000115.2C33 C53 K58C33-C56 HydrophobicContact CB-CB 3.81Å; C53-C56 PolarHBondContact O-N 2.88Å; C56-K58 PolarHBondContact O-N 3.09Å
57R84.7Confident73.3Confident201 Ų20184.6 Ų84.676%0.75846%0.456SS*.  trans54.217.7-179.6-55.4-176.1-179-170.5-0.9115.7C53C53-R57 WeakPolarHBondContact O-CA 3.22Å; C53-R57 PolarHBondContact O-N 2.87Å
58K81.3Confident72.3Confident124 Ų12488.8 Ų88.854%0.53947%0.467SS..PPolyproline II helixtrans-83.9145.9169-61.2178.7-177.5178.90109.2L52 C53 C56L52-K58 WeakPolarHBondContact CA-O 3.32Å; C53-K58 PolarHBondContact N-O 3.38Å; C56-K58 PolarHBondContact O-N 3.09Å
59P77.5Confident71.2Confident91 Ų9185.7 Ų85.759%0.59145%0.454SS*.BIsolated β-bridgetrans-58.4146.7168.627.3-34.6000109.9L52L52-P59 HydrophobicContact CD2-CB 4.06Å
60Y75.5Confident70Confident19 Ų1983.3 Ų83.38%0.07544%0.444CS..PPolyproline II helixtrans-63.2137170-68.6-73.5000109.9P30 C31 I37 W42 I45 G51 C53 P54P30-Y60 HydrophobicContact CB-CD1 3.83Å; P30-Y60 HydrophobicContact CB-CE1 3.71Å; P30-Y60 HydrophobicContact CG-CD1 4.45Å; P30-Y60 HydrophobicContact CG-CE1 3.82Å; P30-Y60 WeakPolarHBondContact O-CD1 3.19Å; C31-Y60 HydrophobicContact CB-CD1 3.85Å; C31-Y60 HydrophobicContact CB-CE1 3.72Å; I37-Y60 VanDerWaalsContact CD1-OH 3.25Å; I37-Y60 WeakPolarHBondContact CD1-OH 3.42Å; W42-Y60 AromaticContact CD1-CD1 3.93Å; W42-Y60 AromaticContact CD1-CD2 3.94Å; W42-Y60 AromaticContact CD1-CE1 3.79Å; W42-Y60 AromaticContact CD1-CE2 3.83Å; W42-Y60 AromaticContact CD1-CG 3.99Å; W42-Y60 AromaticContact CD1-CZ 3.75Å; W42-Y60 AromaticContact NE1-CD1 3.77Å; W42-Y60 AromaticContact NE1-CD2 3.85Å; W42-Y60 AromaticContact NE1-CG 3.61Å; I45-Y60 HydrophobicContact CB-CE2 4.44Å; I45-Y60 HydrophobicContact CG2-CE2 3.82Å; G51-Y60 VanDerWaalsContact O-CD2 3.28Å; G51-Y60 WeakPolarHBondContact O-CD2 3.42Å; G51-Y60 PolarHBondContact O-N 3.4Å; C53-Y60 HydrophobicContact CB-CD1 4.44Å; C53-Y60 HydrophobicContact CB-CE1 3.86Å; C53-Y60 HydrophobicContact CB-CE2 4.47Å; P54-Y60 WeakPolarHBondContact CD-OH 3.43Å
61P69Low69.4Low47 Ų4780.3 Ų80.331%0.30543%0.432SS..PPolyproline II helixtrans-64.4146.217229.1-34.4000110.3D63P61-D63 VanDerWaalsContact C-N 3.33Å; P61-D63 WeakPolarHBondContact CG-O 3.25Å; P61-D63 PolarHBondContact O-N 3.21Å
62E58.4Low68.6Low147 Ų14786.6 Ų86.669%0.68746%0.456SS*.SBendtrans-60-42180-81.9-69.7116.100112R46R46-E62 IonicContact CZ-OE1 2.75Å; R46-E62 IonicContact NH2-OE1 3.8Å; R46-E62 PolarHBondContact NH2-OE1 3.17Å; R46-E62 IonicContact NH2-OE2 2.67Å; R46-E62 PolarHBondContact NH2-OE2 3.41Å
63D57.4Low68Low141 Ų14190.1 Ų90.175%0.75447%0.471SS*.SBendtrans-90.4124.5167.6-82.6-46.7000111P61 A65P61-D63 VanDerWaalsContact C-N 3.33Å; P61-D63 WeakPolarHBondContact CG-O 3.25Å; P61-D63 PolarHBondContact O-N 3.21Å; D63-A65 PolarHBondContact O-N 3.42Å; D63-A65 VanDerWaalsContact O-N 3.12Å
64P57.3Low67.3Low49 Ų4993.8 Ų93.832%0.31849%0.488SS..  trans-62112.5173.8-23.835000111.7V66 Y67P64-V66 VanDerWaalsContact C-N 3.26Å; P64-V66 PolarHBondContact O-N 3.29Å; P64-Y67 PolarHBondContact O-N 3.46Å
65A57.1Low66.8Low55 Ų5593 Ų9346%0.45548%0.481SS..THydrogen-bonded Turntrans-58.1-26.6-159.900000116.5T32 D63T32-A65 HydrophobicContact CG2-CB 3.49Å; T32-A65 VanDerWaalsContact CG2-CB 3.49Å; D63-A65 PolarHBondContact O-N 3.42Å; D63-A65 VanDerWaalsContact O-N 3.12Å
66V53.7Low66.3Low105 Ų10594.8 Ų94.864%0.63648%0.478SS*.THydrogen-bonded Turntrans-144.477.4167.1-170.30000110P64 K68P64-V66 VanDerWaalsContact C-N 3.26Å; P64-V66 PolarHBondContact O-N 3.29Å; V66-K68 VanDerWaalsContact C-N 3.31Å; V66-K68 HydrophobicContact CG1-CB 4.16Å; V66-K68 PolarHBondContact O-N 3.02Å; V66-K68 VanDerWaalsContact O-N 3.13Å
67Y51.6Low66.1Low143 Ų143100.6 Ų100.656%0.56149%0.494SS*.  trans-79.984.8159.7-172.6-117.7000109.6P64 P69P64-Y67 PolarHBondContact O-N 3.46Å; Y67-P69 HydrophobicContact CD1-CG 4.28Å; Y67-P69 HydrophobicContact CE1-CB 4.14Å; Y67-P69 HydrophobicContact CE1-CG 3.75Å; Y67-P69 HydrophobicContact CE2-CB 4.07Å; Y67-P69 HydrophobicContact CE2-CG 4.49Å; Y67-P69 VanDerWaalsContact O-CD 3.31Å; Y67-P69 WeakPolarHBondContact O-CD 3.44Å
68K57.1Low65.6Low172 Ų17293.9 Ų93.975%0.74847%0.472SS*.  trans-10587.7163.3-167.4174.5-173.8-178.50107.8V66V66-K68 VanDerWaalsContact C-N 3.31Å; V66-K68 HydrophobicContact CG1-CB 4.16Å; V66-K68 PolarHBondContact O-N 3.02Å; V66-K68 VanDerWaalsContact O-N 3.13Å
69P55Low65.6Low61 Ų6195.5 Ų95.540%0.39648%0.479SS..PPolyproline II helixtrans-60148.9177.625.8-33.3000110.1Y67 S71Y67-P69 HydrophobicContact CD1-CG 4.28Å; Y67-P69 HydrophobicContact CE1-CB 4.14Å; Y67-P69 HydrophobicContact CE1-CG 3.75Å; Y67-P69 HydrophobicContact CE2-CB 4.07Å; Y67-P69 HydrophobicContact CE2-CG 4.49Å; Y67-P69 VanDerWaalsContact O-CD 3.31Å; Y67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-S71 PolarHBondContact O-N 2.94Å
70L54.4Low65.7Low47 Ų4795.7 Ų95.725%0.24648%0.475CS..PPolyproline II helixtrans-54.1130.7158.1-64169.4000106.8I23 N27 E74 I75 I78I23-L70 HydrophobicContact CG2-CD1 3.95Å; N27-L70 WeakPolarHBondContact OD1-CG 3.42Å; L70-E74 HydrophobicContact CB-CB 4.36Å; L70-E74 HydrophobicContact CD2-CG 4.22Å; L70-I75 HydrophobicContact CB-CD1 4.07Å; L70-I75 HydrophobicContact CB-CG1 3.61Å; L70-I75 HydrophobicContact CD1-CG1 4.4Å; L70-I75 WeakPolarHBondContact O-CD1 3.46Å; L70-I78 HydrophobicContact CD1-CD1 4.45Å
71S66.7Low66Low46 Ų4699.3 Ų99.332%0.32249%0.493SS..PPolyproline II helixtrans-65158.6-178.377.60000110.1P69 E73 E74 I75P69-S71 PolarHBondContact O-N 2.94Å; S71-E73 WeakPolarHBondContact CB-OE2 3.28Å; S71-E73 PolarHBondContact O-N 3.49Å; S71-E73 VanDerWaalsContact O-N 3.14Å; S71-E73 PolarHBondContact OG-N 3.21Å; S71-E73 PolarHBondContact OG-OE2 3.02Å; S71-E74 WeakPolarHBondContact O-CB 3.49Å; S71-E74 PolarHBondContact O-N 3.47Å; S71-E74 PolarHBondContact OG-N 3.03Å; S71-E74 VanDerWaalsContact OG-N 3.14Å; S71-I75 WeakPolarHBondContact O-CG1 3.39Å; S71-I75 PolarHBondContact O-N 3.48Å
72Q63.3Low66.5Low149 Ų149102.5 Ų102.570%0.69650%0.502SS*.Hα-helixtrans-59.4-27.4176.7-168.3171.1-5.400111.4Q76Q72-Q76 VanDerWaalsContact O-CB 3.3Å; Q72-Q76 WeakPolarHBondContact O-CB 3.42Å; Q72-Q76 WeakPolarHBondContact O-CG 3.21Å; Q72-Q76 PolarHBondContact O-N 3.48Å; Q72-Q76 VanDerWaalsContact O-N 3.16Å
73E71.8Confident67.6Low133 Ų133102.8 Ų102.862%0.62150%0.501SS*.Hα-helixtrans-72.1-38.5171-45.799.3175.900112.8S71 Q76 R77S71-E73 WeakPolarHBondContact CB-OE2 3.28Å; S71-E73 PolarHBondContact O-N 3.49Å; S71-E73 VanDerWaalsContact O-N 3.14Å; S71-E73 PolarHBondContact OG-N 3.21Å; S71-E73 PolarHBondContact OG-OE2 3.02Å; E73-Q76 PolarHBondContact O-N 3.13Å; E73-R77 VanDerWaalsContact O-CB 3.28Å; E73-R77 WeakPolarHBondContact O-CB 3.37Å; E73-R77 PolarHBondContact O-N 2.87Å
74E70.9Confident68.6Low77 Ų77102.2 Ų102.236%0.3649%0.494SS..Hα-helixtrans-67.5-44.5178.9-153.681.7-86.700111.4L70 S71 Q76 R77 I78L70-E74 HydrophobicContact CB-CB 4.36Å; L70-E74 HydrophobicContact CD2-CG 4.22Å; S71-E74 WeakPolarHBondContact O-CB 3.49Å; S71-E74 PolarHBondContact O-N 3.47Å; S71-E74 PolarHBondContact OG-N 3.03Å; S71-E74 VanDerWaalsContact OG-N 3.14Å; E74-Q76 VanDerWaalsContact C-N 3.35Å; E74-Q76 PolarHBondContact O-N 3Å; E74-R77 WeakPolarHBondContact O-CB 3.33Å; E74-R77 PolarHBondContact O-N 3.37Å; E74-R77 IonicContact OE1-CZ 3.77Å; E74-R77 IonicContact OE1-NE 2.59Å; E74-R77 PolarHBondContact OE1-NE 3.18Å; E74-I78 HydrophobicContact CG-CD1 4.49Å; E74-I78 WeakPolarHBondContact O-CG1 3.39Å; E74-I78 PolarHBondContact O-N 3.02Å
75I73.3Confident69.7Low41 Ų41105 Ų10521%0.2150%0.501CS..Hα-helixtrans-63.2-42.6175.6-61168.8000110.2I23 D24 L70 S71 I78 K79I23-I75 HydrophobicContact CG2-CG1 4.44Å; I23-I75 HydrophobicContact CG2-CG2 4.41Å; D24-I75 WeakPolarHBondContact OD1-CD1 3.49Å; L70-I75 HydrophobicContact CB-CD1 4.07Å; L70-I75 HydrophobicContact CB-CG1 3.61Å; L70-I75 HydrophobicContact CD1-CG1 4.4Å; L70-I75 WeakPolarHBondContact O-CD1 3.46Å; S71-I75 WeakPolarHBondContact O-CG1 3.39Å; S71-I75 PolarHBondContact O-N 3.48Å; I75-I78 PolarHBondContact O-N 3.35Å; I75-K79 VanDerWaalsContact O-CB 3.29Å; I75-K79 WeakPolarHBondContact O-CB 3.37Å; I75-K79 PolarHBondContact O-N 3.24Å
76Q73Confident70.7Confident101 Ų101107.8 Ų107.847%0.47250%0.504SS..Hα-helixtrans-64-40.2173.7-76.2175.817.700112.1Q72 E73 E74 K79 N80Q72-Q76 VanDerWaalsContact O-CB 3.3Å; Q72-Q76 WeakPolarHBondContact O-CB 3.42Å; Q72-Q76 WeakPolarHBondContact O-CG 3.21Å; Q72-Q76 PolarHBondContact O-N 3.48Å; Q72-Q76 VanDerWaalsContact O-N 3.16Å; E73-Q76 PolarHBondContact O-N 3.13Å; E74-Q76 VanDerWaalsContact C-N 3.35Å; E74-Q76 PolarHBondContact O-N 3Å; Q76-K79 PolarHBondContact O-N 3.24Å; Q76-N80 WeakPolarHBondContact O-CB 3.44Å; Q76-N80 PolarHBondContact O-N 2.94Å; Q76-N80 PolarHBondContact O-ND2 3.09Å
77R78.4Confident72Confident163 Ų163107.5 Ų107.562%0.61550%0.499SS*.Hα-helixtrans-59.2-50.5175.5-171.8-171-55.9-131.50.8111.1E73 E74 K79 N80 E81E73-R77 VanDerWaalsContact O-CB 3.28Å; E73-R77 WeakPolarHBondContact O-CB 3.37Å; E73-R77 PolarHBondContact O-N 2.87Å; E74-R77 WeakPolarHBondContact O-CB 3.33Å; E74-R77 PolarHBondContact O-N 3.37Å; E74-R77 IonicContact OE1-CZ 3.77Å; E74-R77 IonicContact OE1-NE 2.59Å; E74-R77 PolarHBondContact OE1-NE 3.18Å; R77-K79 PolarHBondContact O-N 2.91Å; R77-N80 PolarHBondContact O-N 2.92Å; R77-E81 WeakPolarHBondContact O-CB 3.47Å; R77-E81 PolarHBondContact O-N 2.8Å
78I75.7Confident73.3Confident60 Ų60106.2 Ų106.231%0.30850%0.498SS..Hα-helixtrans-62-43.2178.6-65.8162.6000111.1L70 E74 I75 E81 K82L70-I78 HydrophobicContact CD1-CD1 4.45Å; E74-I78 HydrophobicContact CG-CD1 4.49Å; E74-I78 WeakPolarHBondContact O-CG1 3.39Å; E74-I78 PolarHBondContact O-N 3.02Å; I75-I78 PolarHBondContact O-N 3.35Å; I78-E81 PolarHBondContact O-N 3.07Å; I78-K82 PolarHBondContact O-N 3.23Å
79K79.8Confident74.3Confident158 Ų158105.2 Ų105.269%0.68749%0.494SS*.Hα-helixtrans-65.2-40.3177.6-170.8170.7-174.7170.10112.1I75 Q76 R77 K83I75-K79 VanDerWaalsContact O-CB 3.29Å; I75-K79 WeakPolarHBondContact O-CB 3.37Å; I75-K79 PolarHBondContact O-N 3.24Å; Q76-K79 PolarHBondContact O-N 3.24Å; R77-K79 PolarHBondContact O-N 2.91Å; K79-K83 VanDerWaalsContact O-CB 3.31Å; K79-K83 WeakPolarHBondContact O-CB 3.43Å; K79-K83 PolarHBondContact O-N 3.35Å
80N80.7Confident75.2Confident95 Ų95108 Ų10851%0.50850%0.5SS..Hα-helixtrans-70.8-39.9177-70.6-19.2000111.6Q76 R77 K83 Q84Q76-N80 WeakPolarHBondContact O-CB 3.44Å; Q76-N80 PolarHBondContact O-N 2.94Å; Q76-N80 PolarHBondContact O-ND2 3.09Å; R77-N80 PolarHBondContact O-N 2.92Å; N80-K83 PolarHBondContact O-N 3.46Å; N80-Q84 VanDerWaalsContact O-CB 3.32Å; N80-Q84 WeakPolarHBondContact O-CB 3.23Å; N80-Q84 PolarHBondContact O-N 2.69Å
81E80.9Confident76.2Confident96 Ų96111.6 Ų111.645%0.44952%0.516SS..Hα-helixtrans-64.5-50.3174.2-165.2-159.8135.400111.1R77 I78 K83 Q84 K85R77-E81 WeakPolarHBondContact O-CB 3.47Å; R77-E81 PolarHBondContact O-N 2.8Å; I78-E81 PolarHBondContact O-N 3.07Å; E81-K83 PolarHBondContact O-N 2.62Å; E81-Q84 PolarHBondContact O-N 2.95Å; E81-Q84 VanDerWaalsContact O-N 3.14Å; E81-K85 VanDerWaalsContact O-CB 3.22Å; E81-K85 WeakPolarHBondContact O-CB 3.47Å; E81-K85 PolarHBondContact O-N 3.24Å; E81-K85 IonicContact OE1-NZ 2.71Å; E81-K85 PolarHBondContact OE1-NZ 3.39Å
82K80.1Confident76.5Confident113 Ų113115.5 Ų115.549%0.49153%0.527SS..Hα-helixtrans-59-33.3176.5-74.4-161.4173-166.80111.3D9 I78 Q86D9-K82 VanDerWaalsContact CG-NZ 3.27Å; D9-K82 IonicContact OD1-NZ 2.93Å; D9-K82 PolarHBondContact OD1-NZ 3.27Å; D9-K82 IonicContact OD2-NZ 2.69Å; D9-K82 PolarHBondContact OD2-NZ 3.47Å; I78-K82 PolarHBondContact O-N 3.23Å; K82-Q86 WeakPolarHBondContact O-CB 3.1Å; K82-Q86 PolarHBondContact O-N 3.16Å
83K81.8Confident76.8Confident153 Ų153113.2 Ų113.267%0.66552%0.523SS*.Hα-helixtrans-69.7-46.9172.1-174.9-178.6178.1-1750113.1K79 N80 E81 Q86 N87K79-K83 VanDerWaalsContact O-CB 3.31Å; K79-K83 WeakPolarHBondContact O-CB 3.43Å; K79-K83 PolarHBondContact O-N 3.35Å; N80-K83 PolarHBondContact O-N 3.46Å; E81-K83 PolarHBondContact O-N 2.62Å; K83-Q86 PolarHBondContact O-N 2.91Å; K83-N87 PolarHBondContact O-N 2.95Å
84Q77.8Confident76.9Confident130 Ų130110.8 Ų110.861%0.60752%0.517SS*.Hα-helixtrans-62-48.5179.3-177.1174.71.900111N80 E81 Q86 N87 E88N80-Q84 VanDerWaalsContact O-CB 3.32Å; N80-Q84 WeakPolarHBondContact O-CB 3.23Å; N80-Q84 PolarHBondContact O-N 2.69Å; E81-Q84 PolarHBondContact O-N 2.95Å; E81-Q84 VanDerWaalsContact O-N 3.14Å; Q84-Q86 VanDerWaalsContact C-N 3.26Å; Q84-Q86 PolarHBondContact O-N 2.82Å; Q84-N87 WeakPolarHBondContact O-CA 3.35Å; Q84-N87 WeakPolarHBondContact O-CB 3.14Å; Q84-N87 PolarHBondContact O-N 3.17Å; Q84-E88 WeakPolarHBondContact O-CB 3.26Å; Q84-E88 PolarHBondContact O-N 3.06Å
85K80.8Confident76.9Confident107 Ų107111.7 Ų111.747%0.46552%0.521SS..Hα-helixtrans-63.1-28.6177.4-150.6172.3-147.2156.60112.5E81 K89E81-K85 VanDerWaalsContact O-CB 3.22Å; E81-K85 WeakPolarHBondContact O-CB 3.47Å; E81-K85 PolarHBondContact O-N 3.24Å; E81-K85 IonicContact OE1-NZ 2.71Å; E81-K85 PolarHBondContact OE1-NZ 3.39Å; K85-K89 VanDerWaalsContact O-CG 3.26Å; K85-K89 WeakPolarHBondContact O-CG 3.41Å; K85-K89 PolarHBondContact O-N 3.29Å
86Q79Confident76.8Confident113 Ų113113.3 Ų113.353%0.52853%0.531SS..Hα-helixtrans-75.4-39.8169.9-164.7-163.38400112.1K82 K83 Q84 K90K82-Q86 WeakPolarHBondContact O-CB 3.1Å; K82-Q86 PolarHBondContact O-N 3.16Å; K83-Q86 PolarHBondContact O-N 2.91Å; Q84-Q86 VanDerWaalsContact C-N 3.26Å; Q84-Q86 PolarHBondContact O-N 2.82Å; Q86-K90 WeakPolarHBondContact O-CG 3.24Å; Q86-K90 PolarHBondContact O-N 2.91Å; Q86-K90 VanDerWaalsContact O-N 3.14Å
87N79.4Confident77Confident99 Ų99111.8 Ų111.853%0.52952%0.52SS..Hα-helixtrans-66.5-44.6178.3-168.760.8000111.9K83 Q84 K89 K90 Q91K83-N87 PolarHBondContact O-N 2.95Å; Q84-N87 WeakPolarHBondContact O-CA 3.35Å; Q84-N87 WeakPolarHBondContact O-CB 3.14Å; Q84-N87 PolarHBondContact O-N 3.17Å; N87-K89 PolarHBondContact O-N 2.83Å; N87-K90 WeakPolarHBondContact O-CB 3.23Å; N87-K90 PolarHBondContact O-N 3.46Å; N87-K90 VanDerWaalsContact O-N 3.11Å; N87-Q91 WeakPolarHBondContact O-CB 3.2Å; N87-Q91 PolarHBondContact O-N 2.74Å
88E80.4Confident77Confident116 Ų116111 Ų11154%0.54252%0.522SS..Hα-helixtrans-59.1-45175.4-168.4-159.7131.200111.5Q84 K90 Q91 K92Q84-E88 WeakPolarHBondContact O-CB 3.26Å; Q84-E88 PolarHBondContact O-N 3.06Å; E88-K90 VanDerWaalsContact C-N 3.32Å; E88-K90 PolarHBondContact O-N 2.81Å; E88-Q91 PolarHBondContact O-N 3.03Å; E88-K92 WeakPolarHBondContact O-CB 3.4Å; E88-K92 PolarHBondContact O-N 2.86Å
89K77.1Confident77.2Confident151 Ų151112.7 Ų112.766%0.65753%0.528SS*.Hα-helixtrans-56.7-42.3172.7-78.5176.7179-173.80112.3K85 N87 V93K85-K89 VanDerWaalsContact O-CG 3.26Å; K85-K89 WeakPolarHBondContact O-CG 3.41Å; K85-K89 PolarHBondContact O-N 3.29Å; N87-K89 PolarHBondContact O-N 2.83Å; K89-V93 WeakPolarHBondContact O-CG2 3.36Å; K89-V93 PolarHBondContact O-N 2.84Å
90K74.2Confident77.5Confident121 Ų121106.5 Ų106.553%0.52650%0.502SS..Hα-helixtrans-66.9-43175-73.6169.5172.5167.80112Q86 N87 E88 V93 T94Q86-K90 WeakPolarHBondContact O-CG 3.24Å; Q86-K90 PolarHBondContact O-N 2.91Å; Q86-K90 VanDerWaalsContact O-N 3.14Å; N87-K90 WeakPolarHBondContact O-CB 3.23Å; N87-K90 PolarHBondContact O-N 3.46Å; N87-K90 VanDerWaalsContact O-N 3.11Å; E88-K90 VanDerWaalsContact C-N 3.32Å; E88-K90 PolarHBondContact O-N 2.81Å; K90-V93 PolarHBondContact O-N 2.85Å; K90-T94 PolarHBondContact O-N 2.88Å; K90-T94 PolarHBondContact O-OG1 2.8Å
91Q75Confident77.7Confident122 Ų122104.8 Ų104.857%0.5750%0.501SS*.Hα-helixtrans-63.3-46179.4-174.5171.1-3.500111.4N87 E88 V93 T94 E95N87-Q91 WeakPolarHBondContact O-CB 3.2Å; N87-Q91 PolarHBondContact O-N 2.74Å; E88-Q91 PolarHBondContact O-N 3.03Å; Q91-V93 PolarHBondContact O-N 2.89Å; Q91-T94 CarbonylContact O-C 3.59Å; Q91-T94 WeakPolarHBondContact O-CB 3.44Å; Q91-T94 PolarHBondContact O-N 3.47Å; Q91-T94 VanDerWaalsContact O-N 3.11Å; Q91-E95 WeakPolarHBondContact O-CB 3.46Å; Q91-E95 PolarHBondContact O-N 3.01Å
92K73.7Confident78Confident128 Ų128103.4 Ų103.456%0.55750%0.502SS*.Hα-helixtrans-60.4-40.7176.6-169.4170-170.9-69.30112.4E88 E95 N96E88-K92 WeakPolarHBondContact O-CB 3.4Å; E88-K92 PolarHBondContact O-N 2.86Å; K92-E95 PolarHBondContact O-N 2.82Å; K92-N96 WeakPolarHBondContact O-CB 3.32Å; K92-N96 PolarHBondContact O-N 3.45Å; K92-N96 PolarHBondContact O-ND2 2.86Å
93V69.8Low78.6Confident100 Ų10099 Ų9961%0.60649%0.485SS*.Hα-helixtrans-65-41.2174171.20000111.4K89 K90 Q91 N96 R97K89-V93 WeakPolarHBondContact O-CG2 3.36Å; K89-V93 PolarHBondContact O-N 2.84Å; K90-V93 PolarHBondContact O-N 2.85Å; Q91-V93 PolarHBondContact O-N 2.89Å; V93-N96 PolarHBondContact O-N 3.13Å; V93-R97 PolarHBondContact O-N 3.12Å
94T72.3Confident79.1Confident83 Ų8395.7 Ų95.751%0.50947%0.468SS..Hα-helixtrans-65.9-38.6177.6-55.40000111.8K90 Q91 R97 K98K90-T94 PolarHBondContact O-N 2.88Å; K90-T94 PolarHBondContact O-OG1 2.8Å; Q91-T94 CarbonylContact O-C 3.59Å; Q91-T94 WeakPolarHBondContact O-CB 3.44Å; Q91-T94 PolarHBondContact O-N 3.47Å; Q91-T94 VanDerWaalsContact O-N 3.11Å; T94-R97 WeakPolarHBondContact O-CB 3.22Å; T94-R97 PolarHBondContact O-N 3.29Å; T94-K98 PolarHBondContact O-N 3.06Å
95E72Confident79.8Confident95 Ų9589.8 Ų89.844%0.44444%0.441SS..Hα-helixtrans-69.7-43.6176.4-159-165.3157.900112.2Q91 K92 R97 K98 H99Q91-E95 WeakPolarHBondContact O-CB 3.46Å; Q91-E95 PolarHBondContact O-N 3.01Å; K92-E95 PolarHBondContact O-N 2.82Å; E95-R97 PolarHBondContact O-N 3.04Å; E95-R97 VanDerWaalsContact O-N 3.14Å; E95-K98 HydrophobicContact CG-CD 4.44Å; E95-K98 WeakPolarHBondContact O-CA 3.39Å; E95-K98 VanDerWaalsContact O-CB 3.27Å; E95-K98 WeakPolarHBondContact O-CB 3.43Å; E95-K98 PolarHBondContact O-N 3.39Å; E95-H99 PolarHBondContact O-CE1 3.3Å; E95-H99 PolarHBondContact O-N 2.99Å; E95-H99 IonicContact OE1-CE1 2.69Å
96N70.8Confident80.5Confident76 Ų7685.1 Ų85.141%0.40642%0.421SS..Hα-helixtrans-53.6-37.4174-88-92.3000111.4K92 V93 K98 H99K92-N96 WeakPolarHBondContact O-CB 3.32Å; K92-N96 PolarHBondContact O-N 3.45Å; K92-N96 PolarHBondContact O-ND2 2.86Å; V93-N96 PolarHBondContact O-N 3.13Å; N96-K98 VanDerWaalsContact C-N 3.31Å; N96-K98 PolarHBondContact O-N 3.42Å; N96-H99 VanDerWaalsContact CA-CD2 3.49Å; N96-H99 WeakPolarHBondContact CA-CD2 3.48Å; N96-H99 PolarHBondContact O-N 3.49Å
97R76.8Confident81.1Confident69 Ų6982.1 Ų82.126%0.2641%0.407SS..Hα-helixtrans-67.5-23.9175.5-147.9175.8-160.9159.8-2.6114.3V93 T94 E95 L100 F199 L200V93-R97 PolarHBondContact O-N 3.12Å; T94-R97 WeakPolarHBondContact O-CB 3.22Å; T94-R97 PolarHBondContact O-N 3.29Å; E95-R97 PolarHBondContact O-N 3.04Å; E95-R97 VanDerWaalsContact O-N 3.14Å; R97-L100 HydrophobicContact CG-CD1 4.36Å; R97-F199 PolarHBondContact NE-O 2.82Å; R97-F199 PolarHBondContact NH2-O 3.45Å; R97-F199 VanDerWaalsContact NH2-O 3.1Å; R97-L200 VanDerWaalsContact O-CD2 3.27Å; R97-L200 WeakPolarHBondContact O-CD2 3.26Å
98K78.9Confident81.8Confident147 Ų14782.1 Ų82.164%0.63940%0.4SS*.Hα-helixtrans-71.9-40.9174.1-60.7175.6-174.8173.20111.4T94 E95 N96 L100 A101T94-K98 PolarHBondContact O-N 3.06Å; E95-K98 HydrophobicContact CG-CD 4.44Å; E95-K98 WeakPolarHBondContact O-CA 3.39Å; E95-K98 VanDerWaalsContact O-CB 3.27Å; E95-K98 WeakPolarHBondContact O-CB 3.43Å; E95-K98 PolarHBondContact O-N 3.39Å; N96-K98 VanDerWaalsContact C-N 3.31Å; N96-K98 PolarHBondContact O-N 3.42Å; K98-L100 PolarHBondContact O-N 3.19Å; K98-A101 VanDerWaalsContact O-CB 3.3Å; K98-A101 WeakPolarHBondContact O-CB 3.2Å; K98-A101 PolarHBondContact O-N 3.35Å; K98-A101 VanDerWaalsContact O-N 3.08Å
99H80Confident82.4Confident94 Ų9479 Ų7944%0.43539%0.387SS..Hα-helixtrans-59.1-34-179.9-41.7-38.7000111.5E95 N96 A101 S102E95-H99 PolarHBondContact O-CE1 3.3Å; E95-H99 PolarHBondContact O-N 2.99Å; E95-H99 IonicContact OE1-CE1 2.69Å; N96-H99 VanDerWaalsContact CA-CD2 3.49Å; N96-H99 WeakPolarHBondContact CA-CD2 3.48Å; N96-H99 PolarHBondContact O-N 3.49Å; H99-A101 PolarHBondContact O-N 2.8Å; H99-S102 PolarHBondContact O-N 3.09Å; H99-S102 PolarHBondContact O-OG 2.68Å; H99-S102 VanDerWaalsContact O-OG 3.13Å
100L85.3Confident83.2Confident28 Ų2872.4 Ų72.415%0.14736%0.359CS..THydrogen-bonded Turntrans-59.7-13.2177.1-57.4179.3000114.7R97 K98 S102 V103 Y195 F199 L200 L216R97-L100 HydrophobicContact CG-CD1 4.36Å; K98-L100 PolarHBondContact O-N 3.19Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.21Å; L100-V103 PolarHBondContact O-N 2.67Å; L100-Y195 HydrophobicContact CB-CD2 3.77Å; L100-Y195 HydrophobicContact CB-CE2 3.94Å; L100-Y195 HydrophobicContact CB-CG 4.15Å; L100-Y195 HydrophobicContact CD1-CD1 4.33Å; L100-Y195 HydrophobicContact CD1-CE1 4.09Å; L100-Y195 HydrophobicContact CD2-CE2 3.91Å; L100-Y195 HydrophobicContact CG-CE2 4.33Å; L100-Y195 VanDerWaalsContact O-CD2 3.29Å; L100-Y195 WeakPolarHBondContact O-CD2 3.27Å; L100-F199 HydrophobicContact CD1-CE1 4.26Å; L100-L200 HydrophobicContact CB-CD2 3.66Å; L100-L216 HydrophobicContact CD1-CD2 3.49Å; L100-L216 VanDerWaalsContact CD1-CD2 3.49Å
101A86.3Confident84.2Confident59 Ų5966.6 Ų66.649%0.48833%0.334SS..THydrogen-bonded Turntrans-68.9-27.2178.300000113.9K98 H99 L200K98-A101 VanDerWaalsContact O-CB 3.3Å; K98-A101 WeakPolarHBondContact O-CB 3.2Å; K98-A101 PolarHBondContact O-N 3.35Å; K98-A101 VanDerWaalsContact O-N 3.08Å; H99-A101 PolarHBondContact O-N 2.8Å; A101-L200 HydrophobicContact CB-CD1 4.17Å
102S86.7Confident85.2Confident68 Ų6862.2 Ų62.248%0.47631%0.313SS..THydrogen-bonded Turntrans-93.7-20.6174.659.80000113.3H99 L100H99-S102 PolarHBondContact O-N 3.09Å; H99-S102 PolarHBondContact O-OG 2.68Å; H99-S102 VanDerWaalsContact O-OG 3.13Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.21Å
103V92Very high86.1Confident20 Ų2056.1 Ų56.112%0.12129%0.286CS..  trans-70.7142.6179.9179.30000111.4L100 Y195L100-V103 PolarHBondContact O-N 2.67Å; V103-Y195 HydrophobicContact CB-CE2 4.21Å; V103-Y195 HydrophobicContact CG1-CE2 4.03Å
104R92.4Very high87.2Confident83 Ų8352.7 Ų52.731%0.31327%0.265SS..EExtended strand (participates in β ladder)trans-117.3141.3168.7-82.8178.5163.2131.9-12.1109.8T192 T193 K194 F223 M228R104-T192 HydrophobicContact CB-CG2 4.37Å; R104-T193 WeakPolarHBondContact CA-O 3.47Å; R104-K194 HydrophobicContact CG-CG 4.37Å; R104-F223 PolarHBondContact N-O 3.13Å; R104-F223 PolarHBondContact O-N 3Å; R104-M228 HydrophobicContact CB-SD 4.27Å; R104-M228 WeakPolarHBondContact CD-SD 3.25Å
105V93.5Very high88Confident7 Ų749.2 Ų49.24%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-110.5124.6179.8-170.70000109.2T192 T193 Y195 L213 A221V105-T192 CarbonylContact O-C 3.49Å; V105-T192 WeakPolarHBondContact O-CA 3.42Å; V105-T193 HydrophobicContact CB-CG2 4.4Å; V105-T193 PolarHBondContact N-O 3.01Å; V105-T193 PolarHBondContact O-N 3.11Å; V105-Y195 HydrophobicContact CG2-CD2 4.4Å; V105-Y195 HydrophobicContact CG2-CE1 4.48Å; V105-Y195 HydrophobicContact CG2-CE2 3.55Å; V105-L213 HydrophobicContact CB-CD2 4.41Å; V105-L213 HydrophobicContact CG1-CD2 4.38Å; V105-L213 HydrophobicContact CG2-CD2 4.09Å; V105-A221 WeakPolarHBondContact CA-O 3.46Å; V105-A221 HydrophobicContact CG1-CB 4.31Å
106V94.4Very high88.9Confident8 Ų844.8 Ų44.85%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-73.1124.3172.91770000109.1L190 T192 A221 F223 H233 Y236V106-L190 HydrophobicContact CG1-CB 3.58Å; V106-L190 HydrophobicContact CG1-CD1 3.68Å; V106-L190 HydrophobicContact CG1-CG 4.24Å; V106-T192 HydrophobicContact CB-CG2 4.48Å; V106-T192 HydrophobicContact CG2-CG2 3.67Å; V106-A221 PolarHBondContact N-O 3.36Å; V106-F223 HydrophobicContact CB-CE2 4.43Å; V106-F223 HydrophobicContact CG2-CD2 3.77Å; V106-F223 HydrophobicContact CG2-CE2 3.64Å; V106-H233 HydrophobicContact CG2-CB 4.22Å; V106-Y236 HydrophobicContact CB-CD1 4.32Å; V106-Y236 HydrophobicContact CB-CE1 4.21Å; V106-Y236 HydrophobicContact CG1-CD1 4.13Å; V106-Y236 HydrophobicContact CG1-CE1 4.05Å
107Q92.9Very high89.7Confident51 Ų5141.8 Ų41.824%0.23821%0.21CC..EExtended strand (participates in β ladder)trans-99.9117.4178.1-78.1-170.2-36.900111.4N109 L110 G191 T193Q107-N109 PolarHBondContact O-N 3.3Å; Q107-L110 HydrophobicContact CB-CB 3.67Å; Q107-L110 HydrophobicContact CB-CD2 4.39Å; Q107-L110 PolarHBondContact O-N 2.83Å; Q107-G191 PolarHBondContact N-O 3.16Å; Q107-T193 HydrophobicContact CG-CG2 3.96Å
108R92.6Very high90.2Very high98 Ų9843.5 Ų43.537%0.3722%0.221SC..EExtended strand (participates in β ladder)trans-59.3-19.4-176.3-63.1176.6172.3109.5-6.8114.6S166 D218 Y236 L240R108-S166 WeakPolarHBondContact O-CA 3.49Å; R108-S166 WeakPolarHBondContact O-CB 3.42Å; R108-D218 IonicContact CZ-OD2 3.25Å; R108-D218 VanDerWaalsContact CZ-OD2 3.26Å; R108-D218 IonicContact NH1-OD2 2.69Å; R108-D218 PolarHBondContact NH1-OD2 2.94Å; R108-D218 IonicContact NH2-OD2 2.93Å; R108-D218 PolarHBondContact NH2-OD2 2.84Å; R108-Y236 VanDerWaalsContact CZ-OH 3.24Å; R108-Y236 PolarHBondContact NE-OH 3.27Å; R108-Y236 PolarHBondContact NH2-OH 3.17Å; R108-L240 HydrophobicContact CG-CD1 4.03Å
109N93.9Very high90.6Very high50 Ų5044.3 Ų44.327%0.26722%0.22SC..EExtended strand (participates in β ladder)trans-109.73.2179.170.5-44.4000113.9Q107 T162 Y163Q107-N109 PolarHBondContact O-N 3.3Å; N109-T162 WeakPolarHBondContact ND2-CG2 3.31Å; N109-Y163 PolarHBondContact ND2-O 3.22Å; N109-Y163 PolarHBondContact O-N 2.86Å
110L94.8Very high90.9Very high13 Ų1340.3 Ų40.37%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-105.7123.7179.3-171.467.2000109.3Q107 Y160 T162 L190 G191Q107-L110 HydrophobicContact CB-CB 3.67Å; Q107-L110 HydrophobicContact CB-CD2 4.39Å; Q107-L110 PolarHBondContact O-N 2.83Å; L110-Y160 HydrophobicContact CD2-CD1 4.35Å; L110-T162 VanDerWaalsContact CD1-OG1 3.28Å; L110-T162 WeakPolarHBondContact CD1-OG1 3.33Å; L110-L190 WeakPolarHBondContact O-CA 3.34Å; L110-G191 PolarHBondContact O-N 2.94Å
111V95.1Very high91Very high0 Ų039.2 Ų39.20%020%0.197CC..EExtended strand (participates in β ladder)trans-103.3128.9171.5-176.70000109V113 Y160 V161 Y163 A169 I173 A188 S189V111-V113 HydrophobicContact CG1-CG2 3.89Å; V111-Y160 CarbonylContact O-C 3.49Å; V111-Y160 WeakPolarHBondContact O-CA 3.49Å; V111-V161 HydrophobicContact CB-CB 4.44Å; V111-V161 PolarHBondContact N-O 3.29Å; V111-V161 PolarHBondContact O-N 3.43Å; V111-Y163 HydrophobicContact CG2-CD2 4.02Å; V111-Y163 HydrophobicContact CG2-CE2 3.74Å; V111-A169 HydrophobicContact CG2-CB 3.65Å; V111-I173 HydrophobicContact CB-CG1 4.39Å; V111-I173 HydrophobicContact CG1-CD1 4.39Å; V111-I173 HydrophobicContact CG1-CG1 3.73Å; V111-I173 HydrophobicContact CG2-CD1 4.04Å; V111-I173 HydrophobicContact CG2-CG1 3.92Å; V111-A188 HydrophobicContact CG1-CB 4.23Å; V111-S189 WeakPolarHBondContact CA-O 3.36Å
112F94.7Very high91.3Very high30 Ų3040.4 Ų40.413%0.13220%0.195CC..EExtended strand (participates in β ladder)trans-100.2129.2168.4178-125000109.3V114 Y149 Y160 A188 S189F112-V114 HydrophobicContact CD1-CG2 4.01Å; F112-V114 HydrophobicContact CE1-CG2 3.33Å; F112-V114 HydrophobicContact CE2-CG2 4.16Å; F112-V114 HydrophobicContact CZ-CG2 3.42Å; F112-V114 VanDerWaalsContact CZ-CG2 3.42Å; F112-Y149 HydrophobicContact CZ-CE2 4.45Å; F112-Y160 HydrophobicContact CB-CD1 4.29Å; F112-Y160 HydrophobicContact CB-CE1 4.19Å; F112-Y160 AromaticContact CD2-CD1 3.77Å; F112-Y160 HydrophobicContact CD2-CD1 3.77Å; F112-Y160 AromaticContact CD2-CE1 3.3Å; F112-Y160 HydrophobicContact CD2-CE1 3.3Å; F112-Y160 HydrophobicContact CD2-CE2 4.15Å; F112-Y160 HydrophobicContact CD2-CG 4.36Å; F112-Y160 AromaticContact CD2-CZ 3.52Å; F112-Y160 AromaticContact CE2-CE1 3.87Å; F112-Y160 HydrophobicContact CE2-CE1 3.87Å; F112-Y160 HydrophobicContact CE2-CE2 4.09Å; F112-Y160 AromaticContact CE2-CZ 3.57Å; F112-Y160 WeakPolarHBondContact CE2-OH 3.3Å; F112-Y160 HydrophobicContact CG-CD1 4.43Å; F112-Y160 AromaticContact CG-CE1 3.96Å; F112-Y160 HydrophobicContact CG-CE1 3.96Å; F112-A188 WeakPolarHBondContact O-CA 3.49Å; F112-S189 PolarHBondContact N-O 2.75Å; F112-S189 PolarHBondContact O-N 2.82Å
113V93.1Very high91.5Very high0 Ų039.6 Ų39.60%019%0.188CC..EExtended strand (participates in β ladder)trans-122.6128.8-175.3-171.10000109.2V111 L116 F132 S158 A159 K187V111-V113 HydrophobicContact CG1-CG2 3.89Å; V113-L116 HydrophobicContact CB-CD1 4.47Å; V113-L116 HydrophobicContact CG1-CD1 4.22Å; V113-L116 HydrophobicContact CG1-CD2 4.09Å; V113-L116 HydrophobicContact CG1-CG 4Å; V113-F132 HydrophobicContact CB-CZ 4.35Å; V113-F132 HydrophobicContact CG1-CZ 3.9Å; V113-F132 HydrophobicContact CG2-CE1 3.79Å; V113-F132 HydrophobicContact CG2-CE2 4.39Å; V113-F132 HydrophobicContact CG2-CZ 3.54Å; V113-S158 CarbonylContact O-C 3.6Å; V113-S158 WeakPolarHBondContact O-CA 3.34Å; V113-S158 WeakPolarHBondContact O-CB 3.46Å; V113-A159 PolarHBondContact N-O 3.48Å; V113-A159 PolarHBondContact O-N 3.08Å; V113-K187 WeakPolarHBondContact CA-O 3.37Å
114V92Very high91.5Very high28 Ų2843.7 Ų43.717%0.1721%0.206CC..EExtended strand (participates in β ladder)trans-124.1145.6176.5-175.10000109.3F112 Y149 L186 K187F112-V114 HydrophobicContact CD1-CG2 4.01Å; F112-V114 HydrophobicContact CE1-CG2 3.33Å; F112-V114 HydrophobicContact CE2-CG2 4.16Å; F112-V114 HydrophobicContact CZ-CG2 3.42Å; F112-V114 VanDerWaalsContact CZ-CG2 3.42Å; V114-Y149 HydrophobicContact CG1-CD1 4.17Å; V114-Y149 HydrophobicContact CG1-CG 4.05Å; V114-L186 WeakPolarHBondContact O-CA 3.5Å; V114-K187 PolarHBondContact N-O 2.69Å; V114-K187 PolarHBondContact O-N 2.93Å
115G89.4Confident91.5Very high10 Ų1040.3 Ų40.310%0.10319%0.194CC..EExtended strand (participates in β ladder)trans105.54.6177.400000114.5S117 S156 L186G115-S117 PolarHBondContact O-N 3.39Å; G115-S156 WeakPolarHBondContact CA-OG 3.27Å; G115-L186 WeakPolarHBondContact O-CD2 3.44Å
116L90.6Very high91.4Very high2 Ų240 Ų401%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-63.4132-174.6-69.8169.7000111.3V113 L126 A157 A159 R184 L186V113-L116 HydrophobicContact CB-CD1 4.47Å; V113-L116 HydrophobicContact CG1-CD1 4.22Å; V113-L116 HydrophobicContact CG1-CD2 4.09Å; V113-L116 HydrophobicContact CG1-CG 4Å; L116-L126 HydrophobicContact CD1-CD1 4.09Å; L116-L126 HydrophobicContact CD1-CD2 4.45Å; L116-L126 HydrophobicContact CD2-CD2 4.13Å; L116-A157 HydrophobicContact CB-CB 4.13Å; L116-A157 PolarHBondContact N-O 2.9Å; L116-A157 VanDerWaalsContact N-O 3.17Å; L116-A157 PolarHBondContact O-N 2.89Å; L116-A159 HydrophobicContact CD1-CB 3.57Å; L116-R184 PolarHBondContact O-NH1 2.93Å; L116-L186 HydrophobicContact CD2-CD1 4.37Å; L116-L186 HydrophobicContact CD2-CD2 3.92Å; L116-L186 HydrophobicContact CG-CD2 4.41Å
117S88.4Confident91.3Very high13 Ų1343.8 Ų43.89%0.09121%0.208CC..  trans-58.8139.7164.3176.60000109.6G115 R119 L120 A121 D182G115-S117 PolarHBondContact O-N 3.39Å; S117-R119 PolarHBondContact O-N 2.85Å; S117-R119 VanDerWaalsContact O-N 3.15Å; S117-R119 PolarHBondContact OG-N 3.25Å; S117-L120 CarbonylContact O-C 3.6Å; S117-L120 WeakPolarHBondContact O-CA 3.3Å; S117-L120 PolarHBondContact O-N 3.43Å; S117-A121 PolarHBondContact O-N 2.87Å; S117-D182 WeakPolarHBondContact CB-OD2 3.47Å; S117-D182 PolarHBondContact OG-OD2 2.92Å
118Q87.6Confident91.3Very high104 Ų10446.6 Ų46.649%0.48622%0.217SC..G310 helixtrans-61.7-23.1177.3-176.657.933.300111.9L120 A121 N145Q118-L120 PolarHBondContact O-N 2.94Å; Q118-A121 PolarHBondContact O-N 3.31Å; Q118-N145 PolarHBondContact NE2-ND2 3.33Å; Q118-N145 VanDerWaalsContact NE2-ND2 3.16Å; Q118-N145 PolarHBondContact OE1-ND2 3.48Å
119R86.6Confident91.1Very high165 Ų16546.1 Ų46.162%0.62323%0.227SC*.G310 helixtrans-70.9-12.6171.8-64.4171.959.7-121.73.3114.4S117 D182S117-R119 PolarHBondContact O-N 2.85Å; S117-R119 VanDerWaalsContact O-N 3.15Å; S117-R119 PolarHBondContact OG-N 3.25Å; R119-D182 IonicContact CZ-OD2 3.75Å; R119-D182 IonicContact NH1-OD1 3.79Å; R119-D182 PolarHBondContact NH1-OD1 3.31Å; R119-D182 IonicContact NH1-OD2 2.69Å; R119-D182 PolarHBondContact NH1-OD2 2.88Å
120L86.7Confident90.9Very high10 Ų1047.6 Ų47.65%0.05223%0.232CC..G310 helixtrans-117.65.2-179.8-55.9179.1000111.3S117 Q118 D122 V125 L126 Y131 V181S117-L120 CarbonylContact O-C 3.6Å; S117-L120 WeakPolarHBondContact O-CA 3.3Å; S117-L120 PolarHBondContact O-N 3.43Å; Q118-L120 PolarHBondContact O-N 2.94Å; L120-D122 PolarHBondContact O-N 2.85Å; L120-V125 HydrophobicContact CD2-CG1 4Å; L120-L126 WeakPolarHBondContact O-CD2 3.41Å; L120-Y131 HydrophobicContact CD1-CE1 4.04Å; L120-Y131 HydrophobicContact CD2-CE1 3.63Å; L120-Y131 WeakPolarHBondContact CD2-OH 3.01Å; L120-Y131 HydrophobicContact CG-CE1 4.38Å; L120-V181 HydrophobicContact CD1-CG1 3.65Å
121A88.1Confident90.7Very high5 Ų548.7 Ų48.74%0.04124%0.235CC..  trans-8835.1-17600000112.4S117 Q118 I143 N145 A157S117-A121 PolarHBondContact O-N 2.87Å; Q118-A121 PolarHBondContact O-N 3.31Å; A121-I143 HydrophobicContact CB-CG2 4.23Å; A121-I143 VanDerWaalsContact O-CD1 3.25Å; A121-I143 WeakPolarHBondContact O-CD1 3.29Å; A121-N145 WeakPolarHBondContact CB-ND2 3.38Å; A121-A157 HydrophobicContact CB-CB 3.55Å
122D90.8Very high90.6Very high83 Ų8348.7 Ų48.744%0.44424%0.235SC..  trans-113.4134.8177-64.4-53.3000110.3L120 E124 V125 L126L120-D122 PolarHBondContact O-N 2.85Å; D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 3.24Å; D122-V125 HydrophobicContact CB-CB 4.08Å; D122-V125 HydrophobicContact CB-CG2 3.74Å; D122-V125 PolarHBondContact O-N 3.34Å; D122-V125 VanDerWaalsContact O-N 3.09Å; D122-L126 PolarHBondContact O-N 3.32Å; D122-L126 VanDerWaalsContact O-N 3.12Å
123P92.5Very high90.5Very high51 Ų5148.4 Ų48.433%0.33124%0.24SC..Hα-helixtrans-63.1-36.3-176.425.5-33.8000112.1V125 L126 K127 V141 I143P123-V125 VanDerWaalsContact C-N 3.33Å; P123-V125 PolarHBondContact O-N 3.42Å; P123-L126 PolarHBondContact O-N 3.1Å; P123-K127 WeakPolarHBondContact O-CB 3.45Å; P123-K127 WeakPolarHBondContact O-CD 3.48Å; P123-K127 VanDerWaalsContact O-CG 3.25Å; P123-K127 WeakPolarHBondContact O-CG 3.34Å; P123-K127 PolarHBondContact O-N 3.12Å; P123-V141 HydrophobicContact CB-CB 4.15Å; P123-V141 HydrophobicContact CB-CG1 4.18Å; P123-I143 HydrophobicContact CB-CD1 4.43Å
124E91.9Very high90.4Very high107 Ų10752.9 Ų52.950%0.526%0.258SS..Hα-helixtrans-77.7-14.1178.4-50.8-41113.600113.6D122 K127 R128D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 3.24Å; E124-K127 IonicContact OE1-NZ 2.65Å; E124-K127 PolarHBondContact OE1-NZ 3.03Å; E124-K127 WeakPolarHBondContact OE2-CD 3.45Å; E124-K127 IonicContact OE2-NZ 2.87Å; E124-K127 PolarHBondContact OE2-NZ 3.1Å; E124-R128 WeakPolarHBondContact O-CG 3.47Å; E124-R128 PolarHBondContact O-NE 3.19Å
125V92.4Very high90.4Very high11 Ų1152.3 Ų52.37%0.06725%0.253CS..Hα-helixtrans-78.2-50.1167.1173.80000109.2L120 D122 P123 K127 R128 Y131L120-V125 HydrophobicContact CD2-CG1 4Å; D122-V125 HydrophobicContact CB-CB 4.08Å; D122-V125 HydrophobicContact CB-CG2 3.74Å; D122-V125 PolarHBondContact O-N 3.34Å; D122-V125 VanDerWaalsContact O-N 3.09Å; P123-V125 VanDerWaalsContact C-N 3.33Å; P123-V125 PolarHBondContact O-N 3.42Å; V125-K127 VanDerWaalsContact C-N 3.27Å; V125-K127 PolarHBondContact O-N 2.93Å; V125-R128 WeakPolarHBondContact O-CG 3.39Å; V125-R128 PolarHBondContact O-N 3.02Å; V125-R128 VanDerWaalsContact O-N 3.16Å; V125-Y131 HydrophobicContact CG1-CD1 4.42Å; V125-Y131 HydrophobicContact CG1-CD2 3.86Å; V125-Y131 HydrophobicContact CG1-CE1 4.32Å; V125-Y131 HydrophobicContact CG1-CE2 3.72Å; V125-Y131 HydrophobicContact CG1-CG 4.24Å; V125-Y131 VanDerWaalsContact O-CD2 3.26Å; V125-Y131 WeakPolarHBondContact O-CD2 3.46Å
126L91.3Very high90.6Very high0 Ų052.8 Ų52.80%026%0.257CS..Hα-helixtrans-62.2-33.6-178.2-62.2-177.5000112.6L116 L120 D122 P123 R128 F132 V141 I143 A159L116-L126 HydrophobicContact CD1-CD1 4.09Å; L116-L126 HydrophobicContact CD1-CD2 4.45Å; L116-L126 HydrophobicContact CD2-CD2 4.13Å; L120-L126 WeakPolarHBondContact O-CD2 3.41Å; D122-L126 PolarHBondContact O-N 3.32Å; D122-L126 VanDerWaalsContact O-N 3.12Å; P123-L126 PolarHBondContact O-N 3.1Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.86Å; L126-F132 HydrophobicContact CB-CD2 4.27Å; L126-F132 HydrophobicContact CD2-CD2 3.95Å; L126-F132 HydrophobicContact CD2-CE2 3.95Å; L126-F132 WeakPolarHBondContact O-CB 3.43Å; L126-F132 PolarHBondContact O-N 3.38Å; L126-V141 HydrophobicContact CD1-CG1 4.08Å; L126-I143 HydrophobicContact CD1-CD1 3.67Å; L126-I143 HydrophobicContact CD1-CG1 4.18Å; L126-I143 HydrophobicContact CG-CD1 4.42Å; L126-A159 HydrophobicContact CD1-CB 3.74Å
127K92.5Very high90.8Very high88 Ų8860.3 Ų60.338%0.38329%0.29SS..THydrogen-bonded Turntrans-65.9-22.4176.4-79.8165.5172.8174.80115.3P123 E124 V125 G133 V141P123-K127 WeakPolarHBondContact O-CB 3.45Å; P123-K127 WeakPolarHBondContact O-CD 3.48Å; P123-K127 VanDerWaalsContact O-CG 3.25Å; P123-K127 WeakPolarHBondContact O-CG 3.34Å; P123-K127 PolarHBondContact O-N 3.12Å; E124-K127 IonicContact OE1-NZ 2.65Å; E124-K127 PolarHBondContact OE1-NZ 3.03Å; E124-K127 WeakPolarHBondContact OE2-CD 3.45Å; E124-K127 IonicContact OE2-NZ 2.87Å; E124-K127 PolarHBondContact OE2-NZ 3.1Å; V125-K127 VanDerWaalsContact C-N 3.27Å; V125-K127 PolarHBondContact O-N 2.93Å; K127-G133 WeakPolarHBondContact O-CA 2.95Å; K127-V141 HydrophobicContact CG-CG2 4.06Å
128R91.4Very high91.1Very high110 Ų11061.2 Ų61.242%0.41529%0.294SS..SBendtrans-66.8154.2-173.6-54.2-175.6-165.3151.11.5111.8E124 V125 L126 E130 Y131 G133E124-R128 WeakPolarHBondContact O-CG 3.47Å; E124-R128 PolarHBondContact O-NE 3.19Å; V125-R128 WeakPolarHBondContact O-CG 3.39Å; V125-R128 PolarHBondContact O-N 3.02Å; V125-R128 VanDerWaalsContact O-N 3.16Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.86Å; R128-E130 WeakPolarHBondContact CB-OE2 3.48Å; R128-E130 WeakPolarHBondContact CD-OE2 3.42Å; R128-E130 PolarHBondContact O-N 2.96Å; R128-Y131 HydrophobicContact CB-CD2 4.36Å; R128-Y131 CarbonylContact O-C 3.46Å; R128-Y131 PolarHBondContact O-N 3.32Å; R128-G133 WeakPolarHBondContact O-CA 3.08Å; R128-G133 PolarHBondContact O-N 2.83Å
129P89.9Confident91.4Very high89 Ų8962.6 Ų62.658%0.57830%0.3SS*.THydrogen-bonded Turntrans-61.6-24.8172.724.2-31.1000112.9Y131 R134P129-Y131 PolarHBondContact O-N 2.84Å; P129-R134 WeakPolarHBondContact O-CB 3.49Å
130E89.4Confident91.7Very high80 Ų8057.3 Ų57.337%0.37428%0.281SS..THydrogen-bonded Turntrans-62.6-23.1170.6-47.885-96.700113R128 R134R128-E130 WeakPolarHBondContact CB-OE2 3.48Å; R128-E130 WeakPolarHBondContact CD-OE2 3.42Å; R128-E130 PolarHBondContact O-N 2.96Å; E130-R134 PolarHBondContact O-NH2 3.01Å
131Y90.6Very high92.1Very high36 Ų3657.9 Ų57.914%0.14129%0.285CS..THydrogen-bonded Turntrans-114.4-124.5-178.5-62.1-92.2000111.4L120 V125 R128 P129 G133 R134 W281L120-Y131 HydrophobicContact CD1-CE1 4.04Å; L120-Y131 HydrophobicContact CD2-CE1 3.63Å; L120-Y131 WeakPolarHBondContact CD2-OH 3.01Å; L120-Y131 HydrophobicContact CG-CE1 4.38Å; V125-Y131 HydrophobicContact CG1-CD1 4.42Å; V125-Y131 HydrophobicContact CG1-CD2 3.86Å; V125-Y131 HydrophobicContact CG1-CE1 4.32Å; V125-Y131 HydrophobicContact CG1-CE2 3.72Å; V125-Y131 HydrophobicContact CG1-CG 4.24Å; V125-Y131 VanDerWaalsContact O-CD2 3.26Å; V125-Y131 WeakPolarHBondContact O-CD2 3.46Å; R128-Y131 HydrophobicContact CB-CD2 4.36Å; R128-Y131 CarbonylContact O-C 3.46Å; R128-Y131 PolarHBondContact O-N 3.32Å; P129-Y131 PolarHBondContact O-N 2.84Å; Y131-G133 VanDerWaalsContact C-N 3.3Å; Y131-G133 PolarHBondContact O-N 2.91Å; Y131-R134 WeakPolarHBondContact O-CG 3.02Å; Y131-R134 PolarHBondContact O-NE 3.07Å; Y131-W281 HydrophobicContact CD1-CE3 4.19Å; Y131-W281 AromaticContact CD1-CZ3 3.75Å; Y131-W281 HydrophobicContact CD1-CZ3 3.75Å; Y131-W281 HydrophobicContact CG-CZ3 4.24Å
132F93.2Very high92.3Very high1 Ų160 Ų600%0.00430%0.297CS..G310 helixtrans-75.2-19.4-174.5-73.3-91.9000112.7V113 L126 R134 F135 I138 V161 Y163 A172 V176V113-F132 HydrophobicContact CB-CZ 4.35Å; V113-F132 HydrophobicContact CG1-CZ 3.9Å; V113-F132 HydrophobicContact CG2-CE1 3.79Å; V113-F132 HydrophobicContact CG2-CE2 4.39Å; V113-F132 HydrophobicContact CG2-CZ 3.54Å; L126-F132 HydrophobicContact CB-CD2 4.27Å; L126-F132 HydrophobicContact CD2-CD2 3.95Å; L126-F132 HydrophobicContact CD2-CE2 3.95Å; L126-F132 WeakPolarHBondContact O-CB 3.43Å; L126-F132 PolarHBondContact O-N 3.38Å; F132-R134 PolarHBondContact O-N 3.22Å; F132-R134 VanDerWaalsContact O-N 3.14Å; F132-F135 WeakPolarHBondContact O-CD2 3.45Å; F132-F135 PolarHBondContact O-N 3.06Å; F132-I138 HydrophobicContact CB-CD1 3.83Å; F132-V161 HydrophobicContact CB-CG1 4.49Å; F132-Y163 WeakPolarHBondContact CB-OH 3.4Å; F132-Y163 PolarHBondContact O-OH 3.14Å; F132-Y163 VanDerWaalsContact O-OH 3.07Å; F132-A172 HydrophobicContact CD1-CB 4.4Å; F132-V176 HydrophobicContact CE1-CB 4.36Å; F132-V176 HydrophobicContact CE1-CG1 4.12Å; F132-V176 HydrophobicContact CE1-CG2 3.93Å; F132-V176 HydrophobicContact CZ-CG1 3.88Å; F132-V176 HydrophobicContact CZ-CG2 4.3Å
133G92.3Very high92.3Very high23 Ų2357.7 Ų57.724%0.23728%0.284CS..G310 helixtrans-61.8-19.4178.600000115.1K127 R128 Y131 F135K127-G133 WeakPolarHBondContact O-CA 2.95Å; R128-G133 WeakPolarHBondContact O-CA 3.08Å; R128-G133 PolarHBondContact O-N 2.83Å; Y131-G133 VanDerWaalsContact C-N 3.3Å; Y131-G133 PolarHBondContact O-N 2.91Å; G133-F135 VanDerWaalsContact C-N 3.26Å; G133-F135 PolarHBondContact O-N 2.95Å
134R91.1Very high92.2Very high95 Ų9558 Ų5836%0.35828%0.283SS..G310 helixtrans-65.6-27.3176.168.6-179.476.4-175.45.5113.7P129 E130 Y131 F132P129-R134 WeakPolarHBondContact O-CB 3.49Å; E130-R134 PolarHBondContact O-NH2 3.01Å; Y131-R134 WeakPolarHBondContact O-CG 3.02Å; Y131-R134 PolarHBondContact O-NE 3.07Å; F132-R134 PolarHBondContact O-N 3.22Å; F132-R134 VanDerWaalsContact O-N 3.14Å
135F92.1Very high92Very high16 Ų1656.4 Ų56.47%0.0728%0.278CS..THydrogen-bonded Turntrans-84.5-27-170.8-59.2-65.9000112.4F132 G133 Y163 R171 A172 C175 V176 W281F132-F135 WeakPolarHBondContact O-CD2 3.45Å; F132-F135 PolarHBondContact O-N 3.06Å; G133-F135 VanDerWaalsContact C-N 3.26Å; G133-F135 PolarHBondContact O-N 2.95Å; F135-Y163 HydrophobicContact CB-CE1 4.22Å; F135-R171 HydrophobicContact CD1-CB 4.37Å; F135-R171 PolarHBondContact O-NH2 3.29Å; F135-A172 HydrophobicContact CB-CB 3.82Å; F135-A172 HydrophobicContact CD1-CB 4.42Å; F135-A172 HydrophobicContact CD2-CB 3.46Å; F135-A172 VanDerWaalsContact CD2-CB 3.46Å; F135-A172 HydrophobicContact CE2-CB 4.12Å; F135-A172 HydrophobicContact CG-CB 3.63Å; F135-C175 HydrophobicContact CD1-CB 4.44Å; F135-C175 HydrophobicContact CE1-CB 3.35Å; F135-C175 HydrophobicContact CZ-CB 3.53Å; F135-V176 HydrophobicContact CE2-CG2 3.71Å; F135-V176 HydrophobicContact CZ-CG2 3.96Å; F135-W281 HydrophobicContact CE2-CH2 4.22Å; F135-W281 AromaticContact CE2-CZ2 3.87Å; F135-W281 HydrophobicContact CE2-CZ2 3.87Å; F135-W281 AromaticContact CZ-CZ2 3.94Å; F135-W281 HydrophobicContact CZ-CZ2 3.94Å
136G93.4Very high91.1Very high19 Ų1958.7 Ų58.720%0.19630%0.295CS..SBendtrans167.6-178.3-179.700000112.9I138 D168G136-I138 PolarHBondContact O-N 3.3Å; G136-D168 VanDerWaalsContact CA-OD2 3.29Å; G136-D168 WeakPolarHBondContact CA-OD2 3.48Å
137K94.8Very high89.9Confident161 Ų16162.5 Ų62.570%0.732%0.318SS*.  trans-74.1119.5178.7-67.7-174.7178.8-178.50110.3I164K137-I164 HydrophobicContact CB-CB 4.42Å; K137-I164 HydrophobicContact CB-CD1 3.71Å; K137-I164 HydrophobicContact CB-CG1 4.18Å; K137-I164 HydrophobicContact CD-CD1 4.39Å; K137-I164 PolarHBondContact O-N 3.19Å
138I95.1Very high88.4Confident32 Ų3263.2 Ų63.216%0.16433%0.334CS..EExtended strand (participates in β ladder)trans-83.2129.1175.4-64.8162000108.8F132 G136 V141 V161 Y163F132-I138 HydrophobicContact CB-CD1 3.83Å; G136-I138 PolarHBondContact O-N 3.3Å; I138-V141 HydrophobicContact CG2-CG2 3.59Å; I138-V161 HydrophobicContact CD1-CG1 4.02Å; I138-V161 HydrophobicContact CG1-CG1 3.87Å; I138-V161 HydrophobicContact CG2-CG1 3.95Å; I138-Y163 HydrophobicContact CD1-CE1 4.48Å; I138-Y163 HydrophobicContact CG1-CD1 4.01Å; I138-Y163 HydrophobicContact CG1-CE1 3.69Å
139H93.6Very high87Confident133 Ų13364.5 Ų64.562%0.61634%0.34SS*.EExtended strand (participates in β ladder)trans-85.3-44.6175.4-178.466.8000111.5T162 I164H139-T162 HydrophobicContact CB-CG2 4.48Å; H139-T162 WeakPolarHBondContact CB-O 3.34Å; H139-T162 PolarHBondContact N-O 3.3Å; H139-I164 HydrophobicContact CB-CG1 3.88Å
140K92.8Very high85.5Confident54 Ų5462.1 Ų62.124%0.23533%0.328CS..EExtended strand (participates in β ladder)trans-149.4145.8-174.1-158175.3-166.2172.80110.9V142 T162 D209K140-V142 HydrophobicContact CD-CG2 4.47Å; K140-V142 HydrophobicContact CG-CG2 4.38Å; K140-T162 PolarHBondContact N-O 3.08Å; K140-T162 PolarHBondContact O-N 2.75Å; K140-D209 WeakPolarHBondContact CE-OD2 3.43Å; K140-D209 IonicContact NZ-OD1 2.69Å; K140-D209 PolarHBondContact NZ-OD1 2.93Å; K140-D209 IonicContact NZ-OD2 3.23Å; K140-D209 PolarHBondContact NZ-OD2 3.05Å
141V94.1Very high84.3Confident21 Ų2161.1 Ų61.113%0.12734%0.339CS..EExtended strand (participates in β ladder)trans-128.8127.8169.2-175.50000108P123 L126 K127 I138 I143 Y160 V161P123-V141 HydrophobicContact CB-CB 4.15Å; P123-V141 HydrophobicContact CB-CG1 4.18Å; L126-V141 HydrophobicContact CD1-CG1 4.08Å; K127-V141 HydrophobicContact CG-CG2 4.06Å; I138-V141 HydrophobicContact CG2-CG2 3.59Å; V141-I143 HydrophobicContact CG1-CD1 4.3Å; V141-I143 HydrophobicContact CG1-CG1 3.87Å; V141-Y160 WeakPolarHBondContact CA-O 3.27Å; V141-V161 HydrophobicContact CG1-CG2 4.46Å
142V92.8Very high82.8Confident49 Ų4965.4 Ų65.430%0.29737%0.374SS..EExtended strand (participates in β ladder)trans-124.3115.7172.9-178.70000107.6K140 Y160 M211K140-V142 HydrophobicContact CD-CG2 4.47Å; K140-V142 HydrophobicContact CG-CG2 4.38Å; V142-Y160 PolarHBondContact N-O 3.25Å; V142-Y160 PolarHBondContact O-N 3.22Å; V142-M211 HydrophobicContact CG2-SD 4.4Å
143I92.1Very high81.5Confident35 Ų3571.7 Ų71.718%0.17940%0.403CS..EExtended strand (participates in β ladder)trans-99.7136.3-179.3-54.7-173.1000108.9A121 P123 L126 V141 A157 S158 A159A121-I143 HydrophobicContact CB-CG2 4.23Å; A121-I143 VanDerWaalsContact O-CD1 3.25Å; A121-I143 WeakPolarHBondContact O-CD1 3.29Å; P123-I143 HydrophobicContact CB-CD1 4.43Å; L126-I143 HydrophobicContact CD1-CD1 3.67Å; L126-I143 HydrophobicContact CD1-CG1 4.18Å; L126-I143 HydrophobicContact CG-CD1 4.42Å; V141-I143 HydrophobicContact CG1-CD1 4.3Å; V141-I143 HydrophobicContact CG1-CG1 3.87Å; I143-A157 HydrophobicContact CG2-CB 4.43Å; I143-S158 WeakPolarHBondContact CG2-O 3.26Å; I143-A159 HydrophobicContact CG1-CB 4.14Å
144N90.4Very high80.5Confident58 Ų5872 Ų7231%0.3141%0.406SS..EExtended strand (participates in β ladder)trans-117.497.2173.2177.616.8000108.5S146 S158N144-S146 PolarHBondContact O-N 3.31Å; N144-S146 WeakPolarHBondContact OD1-CB 3.4Å; N144-S146 PolarHBondContact OD1-N 3.46Å; N144-S146 VanDerWaalsContact OD1-N 3.09Å; N144-S146 PolarHBondContact OD1-OG 2.94Å; N144-S158 PolarHBondContact N-O 3.09Å; N144-S158 PolarHBondContact O-N 3.34Å; N144-S158 PolarHBondContact O-OG 3.08Å
145N86.1Confident79.8Confident74 Ų7471.8 Ų71.840%0.39642%0.417SS..  trans-745.6176.9-57.579.2000113.3Q118 A121 T147Q118-N145 PolarHBondContact NE2-ND2 3.33Å; Q118-N145 VanDerWaalsContact NE2-ND2 3.16Å; Q118-N145 PolarHBondContact OE1-ND2 3.48Å; A121-N145 WeakPolarHBondContact CB-ND2 3.38Å; N145-T147 PolarHBondContact O-N 3.32Å; N145-T147 VanDerWaalsContact O-N 3.13Å
146S74.4Confident79.3Confident59 Ų5971.5 Ų71.541%0.41342%0.417SS..  trans-59.5117.9175-59.80000110.5N144 S148N144-S146 PolarHBondContact O-N 3.31Å; N144-S146 WeakPolarHBondContact OD1-CB 3.4Å; N144-S146 PolarHBondContact OD1-N 3.46Å; N144-S146 VanDerWaalsContact OD1-N 3.09Å; N144-S146 PolarHBondContact OD1-OG 2.94Å; S146-S148 PolarHBondContact O-N 3.15Å
147T66.8Low79.2Confident79 Ų7970.6 Ų70.649%0.48541%0.408SS..G310 helixtrans-67.913.6-178.1-168.90000114.7N145 Y149 A150 P155N145-T147 PolarHBondContact O-N 3.32Å; N145-T147 VanDerWaalsContact O-N 3.13Å; T147-Y149 PolarHBondContact O-N 2.94Å; T147-Y149 VanDerWaalsContact O-N 3.1Å; T147-A150 WeakPolarHBondContact O-CB 3.44Å; T147-A150 PolarHBondContact O-N 3.44Å; T147-A150 VanDerWaalsContact OG1-CB 3.24Å; T147-A150 WeakPolarHBondContact OG1-CB 3.49Å; T147-P155 WeakPolarHBondContact OG1-CA 3.46Å
148S60.3Low79Confident103 Ų10363 Ų6372%0.7238%0.375SS*.G310 helixtrans-61.7-16.8-178.2-46.20000114.3S146S146-S148 PolarHBondContact O-N 3.15Å
149Y61.7Low78.9Confident138 Ų13861.5 Ų61.554%0.54137%0.367SS..G310 helixtrans-106.715.5174.1-73.8-81.6000113.3F112 V114 T147 G151F112-Y149 HydrophobicContact CZ-CE2 4.45Å; V114-Y149 HydrophobicContact CG1-CD1 4.17Å; V114-Y149 HydrophobicContact CG1-CG 4.05Å; T147-Y149 PolarHBondContact O-N 2.94Å; T147-Y149 VanDerWaalsContact O-N 3.1Å; Y149-G151 PolarHBondContact O-N 2.85Å
150A58.8Low79Confident39 Ų3958.6 Ų58.632%0.32235%0.352SS..  trans-73.8102.4170.300000110.6T147 G154T147-A150 WeakPolarHBondContact O-CB 3.44Å; T147-A150 PolarHBondContact O-N 3.44Å; T147-A150 VanDerWaalsContact OG1-CB 3.24Å; T147-A150 WeakPolarHBondContact OG1-CB 3.49Å; A150-G154 VanDerWaalsContact CB-O 3.23Å; A150-G154 WeakPolarHBondContact CB-O 3.37Å
151G63.4Low79.1Confident58 Ų5856 Ų5660%0.59834%0.34SS*.  trans-72.7-158.4158.500000111.4Y149 Q153 G154Y149-G151 PolarHBondContact O-N 2.85Å; G151-Q153 PolarHBondContact O-N 2.77Å; G151-G154 PolarHBondContact O-N 3.29Å
152S60.7Low79.1Confident126 Ų12656.2 Ų56.288%0.88134%0.342SS*.THydrogen-bonded Turntrans-60.90.9178.852.20000116.2
153Q65.4Low79.3Confident133 Ų13353.9 Ų53.962%0.62133%0.328SS*.THydrogen-bonded Turntrans-99.611.8-179.4-63.1-64.5-29.800113.6G151 R184G151-Q153 PolarHBondContact O-N 2.77Å; Q153-R184 PolarHBondContact O-NE 3.29Å; Q153-R184 PolarHBondContact O-NH2 3.42Å
154G70.3Confident79.4Confident29 Ų2957.2 Ų57.230%0.29935%0.345SS..  trans77.1-173.4175.300000114.7A150 G151 S156 R184A150-G154 VanDerWaalsContact CB-O 3.23Å; A150-G154 WeakPolarHBondContact CB-O 3.37Å; G151-G154 PolarHBondContact O-N 3.29Å; G154-S156 PolarHBondContact O-N 2.98Å; G154-R184 PolarHBondContact O-NH2 3.19Å
155P76Confident79.6Confident91 Ų9160.3 Ų60.359%0.59135%0.352SS*.  trans-61.4124.4-167.723.2-33.8000112.1T147 R184T147-P155 WeakPolarHBondContact OG1-CA 3.46Å; P155-R184 PolarHBondContact O-NH1 3.41Å; P155-R184 PolarHBondContact O-NH2 3.14Å
156S83.4Confident80Confident10 Ų1058.7 Ų58.77%0.0735%0.346CS..  trans-130133.6-170.2-179.20000109.9G115 G154G115-S156 WeakPolarHBondContact CA-OG 3.27Å; G154-S156 PolarHBondContact O-N 2.98Å
157A89.9Confident80.8Confident1 Ų158.3 Ų58.31%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-88.2160.7175.100000111.3L116 A121 I143L116-A157 HydrophobicContact CB-CB 4.13Å; L116-A157 PolarHBondContact N-O 2.9Å; L116-A157 VanDerWaalsContact N-O 3.17Å; L116-A157 PolarHBondContact O-N 2.89Å; A121-A157 HydrophobicContact CB-CB 3.55Å; I143-A157 HydrophobicContact CG2-CB 4.43Å
158S90.9Very high82.2Confident1 Ų155 Ų551%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-124.4153.4168.158.40000110.1V113 I143 N144V113-S158 CarbonylContact O-C 3.6Å; V113-S158 WeakPolarHBondContact O-CA 3.34Å; V113-S158 WeakPolarHBondContact O-CB 3.46Å; I143-S158 WeakPolarHBondContact CG2-O 3.26Å; N144-S158 PolarHBondContact N-O 3.09Å; N144-S158 PolarHBondContact O-N 3.34Å; N144-S158 PolarHBondContact O-OG 3.08Å
159A93.4Very high83.8Confident0 Ų050.1 Ų50.10%028%0.283CS..EExtended strand (participates in β ladder)trans-139145.8179.700000112.1V113 L116 L126 I143V113-A159 PolarHBondContact N-O 3.48Å; V113-A159 PolarHBondContact O-N 3.08Å; L116-A159 HydrophobicContact CD1-CB 3.57Å; L126-A159 HydrophobicContact CD1-CB 3.74Å; I143-A159 HydrophobicContact CG1-CB 4.14Å
160Y95Very high85.3Confident72 Ų7243.9 Ų43.928%0.28226%0.259SS..EExtended strand (participates in β ladder)trans-106.5116.8168.2-63.7-83.6000108.1L110 V111 F112 V141 V142L110-Y160 HydrophobicContact CD2-CD1 4.35Å; V111-Y160 CarbonylContact O-C 3.49Å; V111-Y160 WeakPolarHBondContact O-CA 3.49Å; F112-Y160 HydrophobicContact CB-CD1 4.29Å; F112-Y160 HydrophobicContact CB-CE1 4.19Å; F112-Y160 AromaticContact CD2-CD1 3.77Å; F112-Y160 HydrophobicContact CD2-CD1 3.77Å; F112-Y160 AromaticContact CD2-CE1 3.3Å; F112-Y160 HydrophobicContact CD2-CE1 3.3Å; F112-Y160 HydrophobicContact CD2-CE2 4.15Å; F112-Y160 HydrophobicContact CD2-CG 4.36Å; F112-Y160 AromaticContact CD2-CZ 3.52Å; F112-Y160 AromaticContact CE2-CE1 3.87Å; F112-Y160 HydrophobicContact CE2-CE1 3.87Å; F112-Y160 HydrophobicContact CE2-CE2 4.09Å; F112-Y160 AromaticContact CE2-CZ 3.57Å; F112-Y160 WeakPolarHBondContact CE2-OH 3.3Å; F112-Y160 HydrophobicContact CG-CD1 4.43Å; F112-Y160 AromaticContact CG-CE1 3.96Å; F112-Y160 HydrophobicContact CG-CE1 3.96Å; V141-Y160 WeakPolarHBondContact CA-O 3.27Å; V142-Y160 PolarHBondContact N-O 3.25Å; V142-Y160 PolarHBondContact O-N 3.22Å
161V95.3Very high86.9Confident0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-112.7109.4179.5-177.80000108.2V111 F132 I138 V141 Y163V111-V161 HydrophobicContact CB-CB 4.44Å; V111-V161 PolarHBondContact N-O 3.29Å; V111-V161 PolarHBondContact O-N 3.43Å; F132-V161 HydrophobicContact CB-CG1 4.49Å; I138-V161 HydrophobicContact CD1-CG1 4.02Å; I138-V161 HydrophobicContact CG1-CG1 3.87Å; I138-V161 HydrophobicContact CG2-CG1 3.95Å; V141-V161 HydrophobicContact CG1-CG2 4.46Å; V161-Y163 HydrophobicContact CB-CE2 4.42Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE2 3.68Å
162T94.8Very high88.4Confident25 Ų2542.3 Ų42.315%0.15323%0.227CC..EExtended strand (participates in β ladder)trans-91.7118.9176.1-45.30000109N109 L110 H139 K140N109-T162 WeakPolarHBondContact ND2-CG2 3.31Å; L110-T162 VanDerWaalsContact CD1-OG1 3.28Å; L110-T162 WeakPolarHBondContact CD1-OG1 3.33Å; H139-T162 HydrophobicContact CB-CG2 4.48Å; H139-T162 WeakPolarHBondContact CB-O 3.34Å; H139-T162 PolarHBondContact N-O 3.3Å; K140-T162 PolarHBondContact N-O 3.08Å; K140-T162 PolarHBondContact O-N 2.75Å
163Y96.2Very high89.9Confident1 Ų136.5 Ų36.50%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-88.9156.7172.8-73.2-92.3000111.7N109 V111 F132 F135 I138 V161 R165 D168 A169 A172N109-Y163 PolarHBondContact ND2-O 3.22Å; N109-Y163 PolarHBondContact O-N 2.86Å; V111-Y163 HydrophobicContact CG2-CD2 4.02Å; V111-Y163 HydrophobicContact CG2-CE2 3.74Å; F132-Y163 WeakPolarHBondContact CB-OH 3.4Å; F132-Y163 PolarHBondContact O-OH 3.14Å; F132-Y163 VanDerWaalsContact O-OH 3.07Å; F135-Y163 HydrophobicContact CB-CE1 4.22Å; I138-Y163 HydrophobicContact CD1-CE1 4.48Å; I138-Y163 HydrophobicContact CG1-CD1 4.01Å; I138-Y163 HydrophobicContact CG1-CE1 3.69Å; V161-Y163 HydrophobicContact CB-CE2 4.42Å; V161-Y163 HydrophobicContact CG1-CD2 4.16Å; V161-Y163 HydrophobicContact CG1-CE2 3.68Å; Y163-R165 VanDerWaalsContact CB-O 3.26Å; Y163-R165 WeakPolarHBondContact CB-O 3.27Å; Y163-D168 HydrophobicContact CD1-CB 3.84Å; Y163-D168 HydrophobicContact CE1-CB 4.43Å; Y163-D168 HydrophobicContact CG-CB 4.25Å; Y163-A169 HydrophobicContact CD2-CB 3.65Å; Y163-A169 HydrophobicContact CE2-CB 4.33Å; Y163-A169 HydrophobicContact CG-CB 4.22Å; Y163-A172 HydrophobicContact CE2-CB 3.93Å; Y163-A172 WeakPolarHBondContact OH-CB 3.49Å
164I94.9Very high91.1Very high105 Ų10533.3 Ų33.354%0.53817%0.171SC..SBendtrans-68.3-26.9169.7-62.9-177.2000111K137 H139K137-I164 HydrophobicContact CB-CB 4.42Å; K137-I164 HydrophobicContact CB-CD1 3.71Å; K137-I164 HydrophobicContact CB-CG1 4.18Å; K137-I164 HydrophobicContact CD-CD1 4.39Å; K137-I164 PolarHBondContact O-N 3.19Å; H139-I164 HydrophobicContact CB-CG1 3.88Å
165R94.7Very high92Very high123 Ų12335 Ų3546%0.46418%0.177SC..SBendtrans-123.9142.3178.1-62.6177.562.8-172.83.1112Y163 E167 D168 A169Y163-R165 VanDerWaalsContact CB-O 3.26Å; Y163-R165 WeakPolarHBondContact CB-O 3.27Å; R165-E167 IonicContact CZ-OE2 2.7Å; R165-E167 IonicContact NE-OE2 3.84Å; R165-E167 PolarHBondContact NE-OE2 2.62Å; R165-E167 IonicContact NH2-OE2 3.78Å; R165-E167 PolarHBondContact NH2-OE2 3.01Å; R165-D168 HydrophobicContact CB-CB 4.14Å; R165-D168 IonicContact CZ-OD1 2.86Å; R165-D168 IonicContact NE-OD1 3.75Å; R165-D168 IonicContact NH1-OD1 3.15Å; R165-D168 PolarHBondContact O-N 3.17Å; R165-A169 PolarHBondContact O-N 2.91Å
166S93.3Very high92.7Very high39 Ų3930.7 Ų30.727%0.27315%0.149SC..Hα-helixtrans-64.7-39.3173.122.80000113.2R108 D168 A169 L170R108-S166 WeakPolarHBondContact O-CA 3.49Å; R108-S166 WeakPolarHBondContact O-CB 3.42Å; S166-D168 PolarHBondContact O-N 3.26Å; S166-A169 WeakPolarHBondContact O-CB 3.45Å; S166-A169 PolarHBondContact O-N 2.94Å; S166-L170 PolarHBondContact O-N 3.34Å
167E92.8Very high93.1Very high52 Ų5232.7 Ų32.724%0.24316%0.159CC..Hα-helixtrans-64.7-30.8-178.9-4979.3-96.600111.3R165 R171 L244 F251R165-E167 IonicContact CZ-OE2 2.7Å; R165-E167 IonicContact NE-OE2 3.84Å; R165-E167 PolarHBondContact NE-OE2 2.62Å; R165-E167 IonicContact NH2-OE2 3.78Å; R165-E167 PolarHBondContact NH2-OE2 3.01Å; E167-R171 WeakPolarHBondContact O-CG 3.4Å; E167-R171 PolarHBondContact O-N 3.49Å; E167-R171 PolarHBondContact O-NH1 3.11Å; E167-L244 HydrophobicContact CG-CD2 4.36Å; E167-F251 HydrophobicContact CB-CZ 4.24Å
168D94.9Very high93Very high9 Ų937.2 Ų37.25%0.04818%0.183CC..Hα-helixtrans-74.4-39.5178.2-62.13.4000110.6G136 Y163 R165 S166 R171 A172G136-D168 VanDerWaalsContact CA-OD2 3.29Å; G136-D168 WeakPolarHBondContact CA-OD2 3.48Å; Y163-D168 HydrophobicContact CD1-CB 3.84Å; Y163-D168 HydrophobicContact CE1-CB 4.43Å; Y163-D168 HydrophobicContact CG-CB 4.25Å; R165-D168 HydrophobicContact CB-CB 4.14Å; R165-D168 IonicContact CZ-OD1 2.86Å; R165-D168 IonicContact NE-OD1 3.75Å; R165-D168 IonicContact NH1-OD1 3.15Å; R165-D168 PolarHBondContact O-N 3.17Å; S166-D168 PolarHBondContact O-N 3.26Å; D168-R171 VanDerWaalsContact CG-NH2 3.3Å; D168-R171 PolarHBondContact O-N 3.42Å; D168-R171 IonicContact OD1-CZ 2.77Å; D168-R171 VanDerWaalsContact OD1-CZ 3.25Å; D168-R171 IonicContact OD1-NH1 3.73Å; D168-R171 PolarHBondContact OD1-NH1 3.21Å; D168-R171 IonicContact OD1-NH2 2.81Å; D168-R171 PolarHBondContact OD1-NH2 3.45Å; D168-A172 WeakPolarHBondContact O-CB 3.42Å; D168-A172 PolarHBondContact O-N 3.1Å
169A94.7Very high93Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-62.1-44.1172.700000112.3V111 Y163 R165 S166 A172 I173V111-A169 HydrophobicContact CG2-CB 3.65Å; Y163-A169 HydrophobicContact CD2-CB 3.65Å; Y163-A169 HydrophobicContact CE2-CB 4.33Å; Y163-A169 HydrophobicContact CG-CB 4.22Å; R165-A169 PolarHBondContact O-N 2.91Å; S166-A169 WeakPolarHBondContact O-CB 3.45Å; S166-A169 PolarHBondContact O-N 2.94Å; A169-A172 WeakPolarHBondContact O-CB 3.49Å; A169-A172 PolarHBondContact O-N 2.79Å; A169-I173 WeakPolarHBondContact O-CG1 3.43Å; A169-I173 PolarHBondContact O-N 3.47Å
170L92.6Very high92.7Very high7 Ų741.3 Ų41.34%0.03721%0.208CC..Hα-helixtrans-67.8-36.1179.1-73.5163.9000112.6S166 I173 Q174 L190 L240 L241 L244S166-L170 PolarHBondContact O-N 3.34Å; L170-I173 PolarHBondContact O-N 3.3Å; L170-Q174 PolarHBondContact O-N 3.43Å; L170-L190 HydrophobicContact CD2-CD1 4.29Å; L170-L190 HydrophobicContact CD2-CD2 4.05Å; L170-L190 HydrophobicContact CD2-CG 4.36Å; L170-L240 HydrophobicContact CD1-CB 4.37Å; L170-L240 HydrophobicContact CD2-CB 4.41Å; L170-L241 HydrophobicContact CB-CD1 4.31Å; L170-L244 HydrophobicContact CB-CD1 3.71Å; L170-L244 HydrophobicContact CD1-CD1 3.53Å; L170-L244 HydrophobicContact CD1-CG 4.31Å; L170-L244 HydrophobicContact CG-CD1 4.23Å
171R92.6Very high92.3Very high64 Ų6438.5 Ų38.524%0.24220%0.199CC..Hα-helixtrans-62.2-43.9168.6-71-168.2-51.2-78.813.2112F135 E167 D168 I173 Q174 C175 F251F135-R171 HydrophobicContact CD1-CB 4.37Å; F135-R171 PolarHBondContact O-NH2 3.29Å; E167-R171 WeakPolarHBondContact O-CG 3.4Å; E167-R171 PolarHBondContact O-N 3.49Å; E167-R171 PolarHBondContact O-NH1 3.11Å; D168-R171 VanDerWaalsContact CG-NH2 3.3Å; D168-R171 PolarHBondContact O-N 3.42Å; D168-R171 IonicContact OD1-CZ 2.77Å; D168-R171 VanDerWaalsContact OD1-CZ 3.25Å; D168-R171 IonicContact OD1-NH1 3.73Å; D168-R171 PolarHBondContact OD1-NH1 3.21Å; D168-R171 IonicContact OD1-NH2 2.81Å; D168-R171 PolarHBondContact OD1-NH2 3.45Å; R171-I173 PolarHBondContact O-N 3.01Å; R171-Q174 PolarHBondContact O-N 3.19Å; R171-C175 WeakPolarHBondContact O-CB 3.45Å; R171-C175 PolarHBondContact O-N 3.12Å; R171-F251 HydrophobicContact CG-CD1 4.25Å; R171-F251 HydrophobicContact CG-CE1 3.36Å; R171-F251 HydrophobicContact CG-CE2 4.19Å; R171-F251 HydrophobicContact CG-CZ 3.35Å
172A94.1Very high91.8Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-61.3-43.3178.600000112.1F132 F135 Y163 D168 A169 C175 V176F132-A172 HydrophobicContact CD1-CB 4.4Å; F135-A172 HydrophobicContact CB-CB 3.82Å; F135-A172 HydrophobicContact CD1-CB 4.42Å; F135-A172 HydrophobicContact CD2-CB 3.46Å; F135-A172 VanDerWaalsContact CD2-CB 3.46Å; F135-A172 HydrophobicContact CE2-CB 4.12Å; F135-A172 HydrophobicContact CG-CB 3.63Å; Y163-A172 HydrophobicContact CE2-CB 3.93Å; Y163-A172 WeakPolarHBondContact OH-CB 3.49Å; D168-A172 WeakPolarHBondContact O-CB 3.42Å; D168-A172 PolarHBondContact O-N 3.1Å; A169-A172 WeakPolarHBondContact O-CB 3.49Å; A169-A172 PolarHBondContact O-N 2.79Å; A172-C175 PolarHBondContact O-N 3.23Å; A172-V176 WeakPolarHBondContact O-CB 3.48Å; A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 3.45Å
173I92.9Very high91.2Very high5 Ų543.8 Ų43.83%0.02624%0.241CC..Hα-helixtrans-59.1-53.9174.4-71.2161.8000110.3V111 A169 L170 R171 C175 V176 N177 A188 S189 L190 E237V111-I173 HydrophobicContact CB-CG1 4.39Å; V111-I173 HydrophobicContact CG1-CD1 4.39Å; V111-I173 HydrophobicContact CG1-CG1 3.73Å; V111-I173 HydrophobicContact CG2-CD1 4.04Å; V111-I173 HydrophobicContact CG2-CG1 3.92Å; A169-I173 WeakPolarHBondContact O-CG1 3.43Å; A169-I173 PolarHBondContact O-N 3.47Å; L170-I173 PolarHBondContact O-N 3.3Å; R171-I173 PolarHBondContact O-N 3.01Å; I173-C175 VanDerWaalsContact C-N 3.27Å; I173-C175 PolarHBondContact O-N 2.94Å; I173-V176 PolarHBondContact O-N 3.28Å; I173-N177 WeakPolarHBondContact O-CB 3.41Å; I173-N177 PolarHBondContact O-N 3.08Å; I173-A188 HydrophobicContact CG1-CB 4.45Å; I173-S189 VanDerWaalsContact CD1-C 3.46Å; I173-L190 HydrophobicContact CD1-CB 4.41Å; I173-L190 HydrophobicContact CD1-CD2 3.56Å; I173-L190 HydrophobicContact CD1-CG 3.75Å; I173-E237 WeakPolarHBondContact CG2-OE1 3.27Å
174Q90.7Very high90.7Very high66 Ų6645.7 Ų45.731%0.30825%0.248SC..Hα-helixtrans-56.6-39.8-178.1-178.8178.6-37.100112.9L170 R171 L241 Y245L170-Q174 PolarHBondContact O-N 3.43Å; R171-Q174 PolarHBondContact O-N 3.19Å; Q174-L241 HydrophobicContact CB-CD1 4.29Å; Q174-Y245 PolarHBondContact NE2-OH 3.13Å; Q174-Y245 PolarHBondContact OE1-OH 3.38Å
175C89.9Confident90.5Very high64 Ų6444.3 Ų44.343%0.43224%0.244SC..Hα-helixtrans-89.9-8.3-176.5-67.40000115.2F135 R171 A172 I173 V179F135-C175 HydrophobicContact CD1-CB 4.44Å; F135-C175 HydrophobicContact CE1-CB 3.35Å; F135-C175 HydrophobicContact CZ-CB 3.53Å; R171-C175 WeakPolarHBondContact O-CB 3.45Å; R171-C175 PolarHBondContact O-N 3.12Å; A172-C175 PolarHBondContact O-N 3.23Å; I173-C175 VanDerWaalsContact C-N 3.27Å; I173-C175 PolarHBondContact O-N 2.94Å; C175-V179 VanDerWaalsContact O-CG2 3.29Å; C175-V179 WeakPolarHBondContact O-CG2 3.5Å
176V89.9Confident90.3Very high0 Ų038.6 Ų38.60%022%0.223CC..Hα-helixtrans-113.1-26.8-179.8177.90000112.4F132 F135 A172 I173 N178 V179 L186 A188 W281F132-V176 HydrophobicContact CE1-CB 4.36Å; F132-V176 HydrophobicContact CE1-CG1 4.12Å; F132-V176 HydrophobicContact CE1-CG2 3.93Å; F132-V176 HydrophobicContact CZ-CG1 3.88Å; F132-V176 HydrophobicContact CZ-CG2 4.3Å; F135-V176 HydrophobicContact CE2-CG2 3.71Å; F135-V176 HydrophobicContact CZ-CG2 3.96Å; A172-V176 WeakPolarHBondContact O-CB 3.48Å; A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 3.45Å; I173-V176 PolarHBondContact O-N 3.28Å; V176-N178 PolarHBondContact O-N 2.95Å; V176-N178 VanDerWaalsContact O-N 3.13Å; V176-V179 WeakPolarHBondContact O-CB 3.45Å; V176-V179 PolarHBondContact O-N 3.19Å; V176-L186 HydrophobicContact CG1-CB 4.12Å; V176-L186 HydrophobicContact CG1-CD1 4.06Å; V176-A188 HydrophobicContact CB-CB 4.13Å; V176-A188 HydrophobicContact CG1-CB 4.1Å; V176-W281 HydrophobicContact CG2-CH2 3.93Å; V176-W281 HydrophobicContact CG2-CZ2 3.53Å
177N91Very high90.2Very high52 Ų5242.7 Ų42.728%0.27824%0.236SC..THydrogen-bonded Turntrans-64.4116.4-175.4-166.811.3000111.6I173 A188I173-N177 WeakPolarHBondContact O-CB 3.41Å; I173-N177 PolarHBondContact O-N 3.08Å; N177-A188 HydrophobicContact CB-CB 4.33Å; N177-A188 PolarHBondContact ND2-O 2.93Å; N177-A188 PolarHBondContact OD1-O 3.45Å
178N88.5Confident90.3Very high96 Ų9640.3 Ų40.351%0.51323%0.225SC..THydrogen-bonded Turntrans74.216-174.5-41.4-80.3000115.7V176 T185 L186V176-N178 PolarHBondContact O-N 2.95Å; V176-N178 VanDerWaalsContact O-N 3.13Å; N178-T185 HydrophobicContact CB-CG2 4.23Å; N178-L186 VanDerWaalsContact CA-O 3.23Å; N178-L186 WeakPolarHBondContact CA-O 3.39Å; N178-L186 PolarHBondContact N-O 3.47Å
179V90.1Very high90.2Very high27 Ų2741.5 Ų41.516%0.16423%0.234CC..  trans-73.9135.8169.5176.70000110.5C175 V176 V181 L186 W281C175-V179 VanDerWaalsContact O-CG2 3.29Å; C175-V179 WeakPolarHBondContact O-CG2 3.5Å; V176-V179 WeakPolarHBondContact O-CB 3.45Å; V176-V179 PolarHBondContact O-N 3.19Å; V179-V181 HydrophobicContact CG1-CG2 3.91Å; V179-L186 PolarHBondContact O-N 3.03Å; V179-W281 HydrophobicContact CG1-CG 4.08Å
180V88.5Confident90.2Very high61 Ų6141.8 Ų41.837%0.3724%0.235SC..EExtended strand (participates in β ladder)trans-93.2122.3175.9-176.20000110.5R184V180-R184 CarbonylContact C-O 3.51Å; V180-R184 WeakPolarHBondContact CA-O 3.31Å
181V86.9Confident90.2Very high13 Ų1341.4 Ų41.48%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-134.4138.3178.5-171.70000108.7L120 V179 G183 R184 L186 W281L120-V181 HydrophobicContact CD1-CG1 3.65Å; V179-V181 HydrophobicContact CG1-CG2 3.91Å; V181-G183 PolarHBondContact O-N 2.67Å; V181-G183 VanDerWaalsContact O-N 3.09Å; V181-R184 PolarHBondContact N-O 3.09Å; V181-R184 PolarHBondContact O-N 3.26Å; V181-R184 VanDerWaalsContact O-O 3.07Å; V181-L186 HydrophobicContact CB-CD1 4.24Å; V181-L186 HydrophobicContact CB-CG 4.42Å; V181-L186 HydrophobicContact CG2-CD1 3.73Å; V181-L186 HydrophobicContact CG2-CG 4.18Å; V181-W281 HydrophobicContact CG2-CB 4.23Å; V181-W281 HydrophobicContact CG2-CE3 4.47Å; V181-W281 HydrophobicContact CG2-CG 4.48Å
182D84.1Confident90.2Very high73 Ų7340.1 Ų40.139%0.3923%0.233SC..THydrogen-bonded Turntrans53.129.4-176.2-9320000113.3S117 R119 R184S117-D182 WeakPolarHBondContact CB-OD2 3.47Å; S117-D182 PolarHBondContact OG-OD2 2.92Å; R119-D182 IonicContact CZ-OD2 3.75Å; R119-D182 IonicContact NH1-OD1 3.79Å; R119-D182 PolarHBondContact NH1-OD1 3.31Å; R119-D182 IonicContact NH1-OD2 2.69Å; R119-D182 PolarHBondContact NH1-OD2 2.88Å; D182-R184 VanDerWaalsContact C-N 3.25Å; D182-R184 PolarHBondContact O-N 2.97Å
183G82.8Confident90.1Very high63 Ų6340.6 Ų40.665%0.64924%0.236SC*.THydrogen-bonded Turntrans771.2-175.100000115.3V181V181-G183 PolarHBondContact O-N 2.67Å; V181-G183 VanDerWaalsContact O-N 3.09Å
184R85.7Confident90.1Very high41 Ų4145.1 Ų45.116%0.15526%0.255CS..EExtended strand (participates in β ladder)trans-111.6136.3-178.3-66.4177.5169.3-177.5-3.6111.9L116 Q153 G154 P155 V180 V181 D182 L186L116-R184 PolarHBondContact O-NH1 2.93Å; Q153-R184 PolarHBondContact O-NE 3.29Å; Q153-R184 PolarHBondContact O-NH2 3.42Å; G154-R184 PolarHBondContact O-NH2 3.19Å; P155-R184 PolarHBondContact O-NH1 3.41Å; P155-R184 PolarHBondContact O-NH2 3.14Å; V180-R184 CarbonylContact C-O 3.51Å; V180-R184 WeakPolarHBondContact CA-O 3.31Å; V181-R184 PolarHBondContact N-O 3.09Å; V181-R184 PolarHBondContact O-N 3.26Å; V181-R184 VanDerWaalsContact O-O 3.07Å; D182-R184 VanDerWaalsContact C-N 3.25Å; D182-R184 PolarHBondContact O-N 2.97Å; R184-L186 PolarHBondContact O-N 3.39Å
185T89.5Confident90.2Very high75 Ų7542.6 Ų42.646%0.4624%0.243SC..EExtended strand (participates in β ladder)trans-76114.6172.8-50.20000110.1N178N178-T185 HydrophobicContact CB-CG2 4.23Å
186L91.3Very high90.4Very high4 Ų439.7 Ų39.72%0.02122%0.223CC..  trans-73.9134.4169.1-56.9-174.2000109.4V114 G115 L116 V176 N178 V179 V181 R184V114-L186 WeakPolarHBondContact O-CA 3.5Å; G115-L186 WeakPolarHBondContact O-CD2 3.44Å; L116-L186 HydrophobicContact CD2-CD1 4.37Å; L116-L186 HydrophobicContact CD2-CD2 3.92Å; L116-L186 HydrophobicContact CG-CD2 4.41Å; V176-L186 HydrophobicContact CG1-CB 4.12Å; V176-L186 HydrophobicContact CG1-CD1 4.06Å; N178-L186 VanDerWaalsContact CA-O 3.23Å; N178-L186 WeakPolarHBondContact CA-O 3.39Å; N178-L186 PolarHBondContact N-O 3.47Å; V179-L186 PolarHBondContact O-N 3.03Å; V181-L186 HydrophobicContact CB-CD1 4.24Å; V181-L186 HydrophobicContact CB-CG 4.42Å; V181-L186 HydrophobicContact CG2-CD1 3.73Å; V181-L186 HydrophobicContact CG2-CG 4.18Å; R184-L186 PolarHBondContact O-N 3.39Å
187K91.3Very high90.5Very high125 Ų12543.1 Ų43.154%0.54325%0.247SC..EExtended strand (participates in β ladder)trans-113.9125.8167.9-60.1-163.373.2177.50108.2V113 V114V113-K187 WeakPolarHBondContact CA-O 3.37Å; V114-K187 PolarHBondContact N-O 2.69Å; V114-K187 PolarHBondContact O-N 2.93Å
188A93.4Very high90.6Very high1 Ų145.2 Ų45.21%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-119.2135.3177.800000108.6V111 F112 I173 V176 N177V111-A188 HydrophobicContact CG1-CB 4.23Å; F112-A188 WeakPolarHBondContact O-CA 3.49Å; I173-A188 HydrophobicContact CG1-CB 4.45Å; V176-A188 HydrophobicContact CB-CB 4.13Å; V176-A188 HydrophobicContact CG1-CB 4.1Å; N177-A188 HydrophobicContact CB-CB 4.33Å; N177-A188 PolarHBondContact ND2-O 2.93Å; N177-A188 PolarHBondContact OD1-O 3.45Å
189S93.6Very high90.8Very high34 Ų3441.7 Ų41.724%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-143172.6175.170.90000109.4V111 F112 I173 E237V111-S189 WeakPolarHBondContact CA-O 3.36Å; F112-S189 PolarHBondContact N-O 2.75Å; F112-S189 PolarHBondContact O-N 2.82Å; I173-S189 VanDerWaalsContact CD1-C 3.46Å; S189-E237 WeakPolarHBondContact CA-OE2 3.41Å; S189-E237 VanDerWaalsContact CB-OE2 3.32Å; S189-E237 WeakPolarHBondContact CB-OE2 3.5Å
190L94.1Very high90.8Very high6 Ų642.6 Ų42.63%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-63.1141164.7-69170.9000109.6V106 L110 L170 I173 E237 L240V106-L190 HydrophobicContact CG1-CB 3.58Å; V106-L190 HydrophobicContact CG1-CD1 3.68Å; V106-L190 HydrophobicContact CG1-CG 4.24Å; L110-L190 WeakPolarHBondContact O-CA 3.34Å; L170-L190 HydrophobicContact CD2-CD1 4.29Å; L170-L190 HydrophobicContact CD2-CD2 4.05Å; L170-L190 HydrophobicContact CD2-CG 4.36Å; I173-L190 HydrophobicContact CD1-CB 4.41Å; I173-L190 HydrophobicContact CD1-CD2 3.56Å; I173-L190 HydrophobicContact CD1-CG 3.75Å; L190-E237 HydrophobicContact CD1-CB 4.04Å; L190-E237 HydrophobicContact CD1-CG 3.96Å; L190-E237 HydrophobicContact CG-CG 4.05Å; L190-E237 PolarHBondContact N-OE2 3.45Å; L190-L240 HydrophobicContact CD1-CD1 3.67Å
191G92.7Very high90.8Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-82.5141.2176.800000111.6Q107 L110Q107-G191 PolarHBondContact N-O 3.16Å; L110-G191 PolarHBondContact O-N 2.94Å
192T92.6Very high90.8Very high37 Ų3750.5 Ų50.523%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-99.8134.6169.347.80000111.1R104 V105 V106 M228R104-T192 HydrophobicContact CB-CG2 4.37Å; V105-T192 CarbonylContact O-C 3.49Å; V105-T192 WeakPolarHBondContact O-CA 3.42Å; V106-T192 HydrophobicContact CB-CG2 4.48Å; V106-T192 HydrophobicContact CG2-CG2 3.67Å; T192-M228 HydrophobicContact CG2-SD 3.95Å
193T92.6Very high91Very high10 Ų1052.4 Ų52.46%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-104.9170.6168.3-163.70000111.2R104 V105 Q107 M211 L213R104-T193 WeakPolarHBondContact CA-O 3.47Å; V105-T193 HydrophobicContact CB-CG2 4.4Å; V105-T193 PolarHBondContact N-O 3.01Å; V105-T193 PolarHBondContact O-N 3.11Å; Q107-T193 HydrophobicContact CG-CG2 3.96Å; T193-M211 PolarHBondContact OG1-O 3.47Å; T193-L213 HydrophobicContact CG2-CB 4.32Å
194K93.1Very high91.5Very high100 Ų10057.9 Ų57.944%0.43529%0.292SS..EExtended strand (participates in β ladder)trans-109.9158.9169-71.2-166.4170.8-159.10110R104 Y212 L213R104-K194 HydrophobicContact CG-CG 4.37Å; K194-Y212 HydrophobicContact CB-CD1 4.09Å; K194-Y212 HydrophobicContact CB-CE1 4.42Å; K194-Y212 CarbonylContact O-C 3.58Å; K194-Y212 WeakPolarHBondContact O-CA 3.35Å; K194-Y212 WeakPolarHBondContact O-CB 3.14Å; K194-L213 PolarHBondContact O-N 3.43Å
195Y93.4Very high91.9Very high13 Ų1356.7 Ų56.75%0.05129%0.29CS..BIsolated β-bridgetrans-63.6143.3163-66.8-85.3000111L100 V103 V105 F199 L200 L213 E215 G217L100-Y195 HydrophobicContact CB-CD2 3.77Å; L100-Y195 HydrophobicContact CB-CE2 3.94Å; L100-Y195 HydrophobicContact CB-CG 4.15Å; L100-Y195 HydrophobicContact CD1-CD1 4.33Å; L100-Y195 HydrophobicContact CD1-CE1 4.09Å; L100-Y195 HydrophobicContact CD2-CE2 3.91Å; L100-Y195 HydrophobicContact CG-CE2 4.33Å; L100-Y195 VanDerWaalsContact O-CD2 3.29Å; L100-Y195 WeakPolarHBondContact O-CD2 3.27Å; V103-Y195 HydrophobicContact CB-CE2 4.21Å; V103-Y195 HydrophobicContact CG1-CE2 4.03Å; V105-Y195 HydrophobicContact CG2-CD2 4.4Å; V105-Y195 HydrophobicContact CG2-CE1 4.48Å; V105-Y195 HydrophobicContact CG2-CE2 3.55Å; Y195-F199 AromaticContact CD1-CD1 3.95Å; Y195-F199 HydrophobicContact CD1-CD1 3.95Å; Y195-F199 AromaticContact CD1-CE1 3.69Å; Y195-F199 HydrophobicContact CD1-CE1 3.69Å; Y195-F199 HydrophobicContact CE1-CE1 4.23Å; Y195-L200 HydrophobicContact CG-CD2 4.38Å; Y195-L213 HydrophobicContact CD1-CB 4.24Å; Y195-L213 HydrophobicContact CD1-CD2 4.38Å; Y195-L213 HydrophobicContact CE1-CD2 3.93Å; Y195-E215 VanDerWaalsContact CE1-O 3.26Å; Y195-E215 WeakPolarHBondContact CE1-O 3.41Å; Y195-G217 PolarHBondContact OH-N 3.2Å
196C93.6Very high92.2Very high2 Ų257.7 Ų57.71%0.01430%0.297CS..  trans-68140.6178.8179.20000111.3Y198 F199 L200 C205 L213 H214C196-Y198 VanDerWaalsContact C-N 3.29Å; C196-Y198 PolarHBondContact O-N 3.36Å; C196-F199 HydrophobicContact CB-CB 3.89Å; C196-F199 WeakPolarHBondContact O-CB 3.49Å; C196-F199 PolarHBondContact O-N 3.4Å; C196-F199 VanDerWaalsContact O-N 3.15Å; C196-L200 WeakPolarHBondContact O-CG 3.43Å; C196-L200 PolarHBondContact O-N 2.78Å; C196-C205 VanDerWaalsContact SG-SG 3.64Å; C196-L213 WeakPolarHBondContact CB-O 3.28Å; C196-L213 PolarHBondContact N-O 3.16Å; C196-H214 WeakPolarHBondContact CB-CD2 3.45Å; C196-H214 PolarHBondContact SG-NE2 3.41Å; C196-H214 VanDerWaalsContact SG-NE2 3.38Å
197S92.4Very high92.2Very high72 Ų7264.1 Ų64.150%0.50333%0.325SS..Hα-helixtrans-60.6-35.2177.652.40000113.4K201S197-K201 WeakPolarHBondContact O-CB 3.43Å; S197-K201 WeakPolarHBondContact O-CG 3.49Å; S197-K201 PolarHBondContact O-N 2.94Å; S197-K201 VanDerWaalsContact O-N 3.11Å
198Y92.8Very high91.9Very high97 Ų9764.7 Ų64.738%0.3834%0.342SS..Hα-helixtrans-68.4-44.8173.6-67.8-86.6000111.4C196 L200 K201 S202 M203 C205 P206C196-Y198 VanDerWaalsContact C-N 3.29Å; C196-Y198 PolarHBondContact O-N 3.36Å; Y198-L200 PolarHBondContact O-N 3.42Å; Y198-K201 CarbonylContact O-C 3.44Å; Y198-K201 WeakPolarHBondContact O-CA 3.43Å; Y198-K201 PolarHBondContact O-N 3.43Å; Y198-K201 VanDerWaalsContact O-N 3.12Å; Y198-S202 PolarHBondContact O-N 2.84Å; Y198-M203 CarbonylContact C-O 3.54Å; Y198-M203 VanDerWaalsContact C-O 3.32Å; Y198-M203 HydrophobicContact CD1-CB 4.29Å; Y198-M203 PolarHBondContact O-N 2.71Å; Y198-M203 VanDerWaalsContact O-O 3.12Å; Y198-C205 HydrophobicContact CG-CB 4.39Å; Y198-P206 HydrophobicContact CE1-CG 4.43Å; Y198-P206 HydrophobicContact CE2-CG 4.45Å
199F91.4Very high91.7Very high22 Ų2269.7 Ų69.710%0.09637%0.368CS..Hα-helixtrans-57.4-48.1173.5173.9-94.2000111.5R97 L100 Y195 C196 K201 S202 H214 L216R97-F199 PolarHBondContact NE-O 2.82Å; R97-F199 PolarHBondContact NH2-O 3.45Å; R97-F199 VanDerWaalsContact NH2-O 3.1Å; L100-F199 HydrophobicContact CD1-CE1 4.26Å; Y195-F199 AromaticContact CD1-CD1 3.95Å; Y195-F199 HydrophobicContact CD1-CD1 3.95Å; Y195-F199 AromaticContact CD1-CE1 3.69Å; Y195-F199 HydrophobicContact CD1-CE1 3.69Å; Y195-F199 HydrophobicContact CE1-CE1 4.23Å; C196-F199 HydrophobicContact CB-CB 3.89Å; C196-F199 WeakPolarHBondContact O-CB 3.49Å; C196-F199 PolarHBondContact O-N 3.4Å; C196-F199 VanDerWaalsContact O-N 3.15Å; F199-K201 PolarHBondContact O-N 3.42Å; F199-S202 PolarHBondContact O-N 2.85Å; F199-H214 WeakPolarHBondContact CD2-O 3.26Å; F199-H214 VanDerWaalsContact CE2-C 3.44Å; F199-H214 WeakPolarHBondContact CE2-O 3.33Å; F199-L216 HydrophobicContact CE1-CD2 4.39Å; F199-L216 HydrophobicContact CZ-CD2 4.05Å; F199-L216 HydrophobicContact CZ-CG 4.45Å
200L90.6Very high91.6Very high46 Ų4669.3 Ų69.324%0.24137%0.366CS..Hα-helixtrans-59.7-34177.7-68.2170.4000112.2R97 L100 A101 Y195 C196 Y198 S202R97-L200 VanDerWaalsContact O-CD2 3.27Å; R97-L200 WeakPolarHBondContact O-CD2 3.26Å; L100-L200 HydrophobicContact CB-CD2 3.66Å; A101-L200 HydrophobicContact CB-CD1 4.17Å; Y195-L200 HydrophobicContact CG-CD2 4.38Å; C196-L200 WeakPolarHBondContact O-CG 3.43Å; C196-L200 PolarHBondContact O-N 2.78Å; Y198-L200 PolarHBondContact O-N 3.42Å; L200-S202 VanDerWaalsContact C-N 3.27Å; L200-S202 PolarHBondContact O-N 3.35Å
201K89.4Confident91.3Very high149 Ų14973.6 Ų73.665%0.64839%0.387SS*.THydrogen-bonded Turntrans-80.35.4173.3-72.2-177.9174.8-1690114.7S197 Y198 F199 M203S197-K201 WeakPolarHBondContact O-CB 3.43Å; S197-K201 WeakPolarHBondContact O-CG 3.49Å; S197-K201 PolarHBondContact O-N 2.94Å; S197-K201 VanDerWaalsContact O-N 3.11Å; Y198-K201 CarbonylContact O-C 3.44Å; Y198-K201 WeakPolarHBondContact O-CA 3.43Å; Y198-K201 PolarHBondContact O-N 3.43Å; Y198-K201 VanDerWaalsContact O-N 3.12Å; F199-K201 PolarHBondContact O-N 3.42Å; K201-M203 HydrophobicContact CB-CG 4.15Å; K201-M203 HydrophobicContact CB-SD 4.33Å; K201-M203 PolarHBondContact O-N 2.87Å
202S86.1Confident91.3Very high90 Ų9078.9 Ų78.963%0.62941%0.407SS*.THydrogen-bonded Turntrans57.621.3-172.663.20000115.7Y198 F199 L200Y198-S202 PolarHBondContact O-N 2.84Å; F199-S202 PolarHBondContact O-N 2.85Å; L200-S202 VanDerWaalsContact C-N 3.27Å; L200-S202 PolarHBondContact O-N 3.35Å
203M89.6Confident91.2Very high113 Ų11378.8 Ų78.856%0.55741%0.405SS*.PPolyproline II helixtrans-98.6148.2177.2-61.2179.676.600111.1Y198 K201 C205Y198-M203 CarbonylContact C-O 3.54Å; Y198-M203 VanDerWaalsContact C-O 3.32Å; Y198-M203 HydrophobicContact CD1-CB 4.29Å; Y198-M203 PolarHBondContact O-N 2.71Å; Y198-M203 VanDerWaalsContact O-O 3.12Å; K201-M203 HydrophobicContact CB-CG 4.15Å; K201-M203 HydrophobicContact CB-SD 4.33Å; K201-M203 PolarHBondContact O-N 2.87Å; M203-C205 PolarHBondContact O-N 2.86Å
204Q91.6Very high91.2Very high179 Ų17981.7 Ų81.784%0.83642%0.418SS*.PPolyproline II helixtrans-63.5133.5168.5-168.863.411.200109.8
205C95.8Very high91Very high16 Ų1683.9 Ų83.911%0.10843%0.43CS..PPolyproline II helixtrans-81.5130179.4-172.40000110.4C196 Y198 M203 K207 H214C196-C205 VanDerWaalsContact SG-SG 3.64Å; Y198-C205 HydrophobicContact CG-CB 4.39Å; M203-C205 PolarHBondContact O-N 2.86Å; C205-K207 PolarHBondContact O-N 2.59Å; C205-H214 WeakPolarHBondContact CB-CE1 3.39Å; C205-H214 WeakPolarHBondContact CB-NE2 3.37Å; C205-H214 PolarHBondContact SG-NE2 2.82Å; C205-H214 VanDerWaalsContact SG-NE2 3.42Å
206P94.2Very high90.8Very high95 Ų9589.5 Ų89.562%0.61746%0.46SS*.SBendtrans-75.3-1.7178.931-36.5000114Y198Y198-P206 HydrophobicContact CE1-CG 4.43Å; Y198-P206 HydrophobicContact CE2-CG 4.45Å
207K91.1Very high90.4Very high139 Ų13990.3 Ų90.360%0.60447%0.469SS*.  trans-100.9114.5177.5-65.4-170.9177.6-173.20110C205 C210C205-K207 PolarHBondContact O-N 2.59Å; K207-C210 HydrophobicContact CB-CB 4.25Å
208P86.8Confident90.3Very high138 Ų13890.2 Ų90.290%0.89646%0.462SS*.SBendtrans-68.9-42.9179.226.2-32.7000111.8C210P208-C210 PolarHBondContact O-N 3.34Å
209D87.3Confident90Very high105 Ų10594 Ų9456%0.56148%0.483SS*.SBendtrans-94.968.5171.5173.828.7000110K140K140-D209 WeakPolarHBondContact CE-OD2 3.43Å; K140-D209 IonicContact NZ-OD1 2.69Å; K140-D209 PolarHBondContact NZ-OD1 2.93Å; K140-D209 IonicContact NZ-OD2 3.23Å; K140-D209 PolarHBondContact NZ-OD2 3.05Å
210C91.7Very high89.9Confident27 Ų2795.5 Ų95.518%0.18250%0.5CS..  trans-81.8126.2176.5-168.20000110.8K207 P208 Y212 H214K207-C210 HydrophobicContact CB-CB 4.25Å; P208-C210 PolarHBondContact O-N 3.34Å; C210-Y212 PolarHBondContact O-N 3.05Å; C210-H214 WeakPolarHBondContact CB-CE1 3.32Å; C210-H214 WeakPolarHBondContact CB-NE2 3.36Å; C210-H214 PolarHBondContact SG-NE2 3.35Å
211M88.5Confident89.9Confident96 Ų9693.4 Ų93.447%0.47349%0.49SS..SBendtrans-71.4-6.3177.6-163.3176.972.500113.8V142 T193V142-M211 HydrophobicContact CG2-SD 4.4Å; T193-M211 PolarHBondContact OG1-O 3.47Å
212Y91.9Very high90Very high111 Ų11187.4 Ų87.444%0.43547%0.467SS..SBendtrans-114.5148.2-176.4-58.9-57.2000111.2K194 C210K194-Y212 HydrophobicContact CB-CD1 4.09Å; K194-Y212 HydrophobicContact CB-CE1 4.42Å; K194-Y212 CarbonylContact O-C 3.58Å; K194-Y212 WeakPolarHBondContact O-CA 3.35Å; K194-Y212 WeakPolarHBondContact O-CB 3.14Å; C210-Y212 PolarHBondContact O-N 3.05Å
213L91.8Very high90.3Very high34 Ų3484 Ų8418%0.17844%0.441CS..BIsolated β-bridgetrans-68.1135.4-169.5-155.465.6000112.3V105 T193 K194 Y195 C196 E215V105-L213 HydrophobicContact CB-CD2 4.41Å; V105-L213 HydrophobicContact CG1-CD2 4.38Å; V105-L213 HydrophobicContact CG2-CD2 4.09Å; T193-L213 HydrophobicContact CG2-CB 4.32Å; K194-L213 PolarHBondContact O-N 3.43Å; Y195-L213 HydrophobicContact CD1-CB 4.24Å; Y195-L213 HydrophobicContact CD1-CD2 4.38Å; Y195-L213 HydrophobicContact CE1-CD2 3.93Å; C196-L213 WeakPolarHBondContact CB-O 3.28Å; C196-L213 PolarHBondContact N-O 3.16Å; L213-E215 VanDerWaalsContact CD2-O 3.3Å; L213-E215 WeakPolarHBondContact CD2-O 3.3Å; L213-E215 WeakPolarHBondContact CG-O 3.19Å
214H91.8Very high90.4Very high71 Ų7180.8 Ų80.833%0.32943%0.427SS..SBendtrans-108.47177.9-70168.9000113.5C196 F199 C205 C210C196-H214 WeakPolarHBondContact CB-CD2 3.45Å; C196-H214 PolarHBondContact SG-NE2 3.41Å; C196-H214 VanDerWaalsContact SG-NE2 3.38Å; F199-H214 WeakPolarHBondContact CD2-O 3.26Å; F199-H214 VanDerWaalsContact CE2-C 3.44Å; F199-H214 WeakPolarHBondContact CE2-O 3.33Å; C205-H214 WeakPolarHBondContact CB-CE1 3.39Å; C205-H214 WeakPolarHBondContact CB-NE2 3.37Å; C205-H214 PolarHBondContact SG-NE2 2.82Å; C205-H214 VanDerWaalsContact SG-NE2 3.42Å; C210-H214 WeakPolarHBondContact CB-CE1 3.32Å; C210-H214 WeakPolarHBondContact CB-NE2 3.36Å; C210-H214 PolarHBondContact SG-NE2 3.35Å
215E89.4Confident90.2Very high147 Ų14778.6 Ų78.669%0.68742%0.415SS*.SBendtrans-135.5164-177.2-66.1175.9178.800108.6Y195 L213 G217Y195-E215 VanDerWaalsContact CE1-O 3.26Å; Y195-E215 WeakPolarHBondContact CE1-O 3.41Å; L213-E215 VanDerWaalsContact CD2-O 3.3Å; L213-E215 WeakPolarHBondContact CD2-O 3.3Å; L213-E215 WeakPolarHBondContact CG-O 3.19Å; E215-G217 PolarHBondContact O-N 2.96Å
216L88.7Confident90Very high130 Ų13083.2 Ų83.268%0.68144%0.435SS*.PPolyproline II helixtrans-71.1125.5173.3-65.4176.8000109.4L100 F199L100-L216 HydrophobicContact CD1-CD2 3.49Å; L100-L216 VanDerWaalsContact CD1-CD2 3.49Å; F199-L216 HydrophobicContact CE1-CD2 4.39Å; F199-L216 HydrophobicContact CZ-CD2 4.05Å; F199-L216 HydrophobicContact CZ-CG 4.45Å
217G86.2Confident89.9Confident19 Ų1981.2 Ų81.220%0.19642%0.417CS..PPolyproline II helixtrans-70.7151.817700000111.9Y195 E215 E219Y195-G217 PolarHBondContact OH-N 3.2Å; E215-G217 PolarHBondContact O-N 2.96Å; G217-E219 PolarHBondContact O-N 3.31Å
218D89.1Confident89.8Confident70 Ų7076.5 Ų76.537%0.37440%0.398SS..PPolyproline II helixtrans-51.4124.1167.6178.8-8.6000109.6R108 A220 A221 S222R108-D218 IonicContact CZ-OD2 3.25Å; R108-D218 VanDerWaalsContact CZ-OD2 3.26Å; R108-D218 IonicContact NH1-OD2 2.69Å; R108-D218 PolarHBondContact NH1-OD2 2.94Å; R108-D218 IonicContact NH2-OD2 2.93Å; R108-D218 PolarHBondContact NH2-OD2 2.84Å; D218-A220 PolarHBondContact O-N 3.39Å; D218-A220 WeakPolarHBondContact OD1-CB 3.34Å; D218-A220 PolarHBondContact OD1-N 2.96Å; D218-A221 HydrophobicContact CB-CB 4.01Å; D218-A221 CarbonylContact O-C 3.32Å; D218-A221 WeakPolarHBondContact O-CA 3.49Å; D218-A221 PolarHBondContact O-N 3.14Å; D218-S222 WeakPolarHBondContact O-CB 3.45Å; D218-S222 PolarHBondContact O-N 3.46Å; D218-S222 VanDerWaalsContact O-N 3.08Å; D218-S222 PolarHBondContact O-OG 3.47Å
219E86.7Confident89.9Confident176 Ų17678 Ų7882%0.82239%0.393SS*.G310 helixtrans-60.4-36.9-178-172.1176-176.700110.9G217 A221 S222G217-E219 PolarHBondContact O-N 3.31Å; E219-A221 PolarHBondContact O-N 3.39Å; E219-S222 PolarHBondContact O-N 3.31Å; E219-S222 VanDerWaalsContact O-N 3.08Å
220A89.3Confident90.1Very high55 Ų5576.6 Ų76.646%0.45540%0.396SS..G310 helixtrans-67.6-17.6176.300000113.2D218 F223 Y236D218-A220 PolarHBondContact O-N 3.39Å; D218-A220 WeakPolarHBondContact OD1-CB 3.34Å; D218-A220 PolarHBondContact OD1-N 2.96Å; A220-F223 WeakPolarHBondContact O-CZ 3.4Å; A220-Y236 HydrophobicContact CB-CE2 4.22Å; A220-Y236 WeakPolarHBondContact O-CD2 3.3Å; A220-Y236 WeakPolarHBondContact O-CE2 3.5Å
221A90.9Very high90Very high2 Ų276.3 Ų76.32%0.01740%0.397CS..G310 helixtrans-102.1-1.9175.100000113.3V105 V106 D218 E219 F223 Y236V105-A221 WeakPolarHBondContact CA-O 3.46Å; V105-A221 HydrophobicContact CG1-CB 4.31Å; V106-A221 PolarHBondContact N-O 3.36Å; D218-A221 HydrophobicContact CB-CB 4.01Å; D218-A221 CarbonylContact O-C 3.32Å; D218-A221 WeakPolarHBondContact O-CA 3.49Å; D218-A221 PolarHBondContact O-N 3.14Å; E219-A221 PolarHBondContact O-N 3.39Å; A221-F223 WeakPolarHBondContact O-CD2 3.31Å; A221-F223 WeakPolarHBondContact O-CE2 3.31Å; A221-Y236 HydrophobicContact CB-CE1 4.05Å; A221-Y236 WeakPolarHBondContact CB-OH 3.42Å
222S92.3Very high90.2Very high23 Ų2375.9 Ų75.916%0.16139%0.393CS..EExtended strand (participates in β ladder)trans-104.9122-172.6-64.70000110.2D218 E219D218-S222 WeakPolarHBondContact O-CB 3.45Å; D218-S222 PolarHBondContact O-N 3.46Å; D218-S222 VanDerWaalsContact O-N 3.08Å; D218-S222 PolarHBondContact O-OG 3.47Å; E219-S222 PolarHBondContact O-N 3.31Å; E219-S222 VanDerWaalsContact O-N 3.08Å
223F92.1Very high90.1Very high19 Ų1972.9 Ų72.98%0.08338%0.383CS..EExtended strand (participates in β ladder)trans-126.7141.7-176.2-57.8-79.5000110.4R104 V106 A220 A221 E227 K232 H233 Y236R104-F223 PolarHBondContact N-O 3.13Å; R104-F223 PolarHBondContact O-N 3Å; V106-F223 HydrophobicContact CB-CE2 4.43Å; V106-F223 HydrophobicContact CG2-CD2 3.77Å; V106-F223 HydrophobicContact CG2-CE2 3.64Å; A220-F223 WeakPolarHBondContact O-CZ 3.4Å; A221-F223 WeakPolarHBondContact O-CD2 3.31Å; A221-F223 WeakPolarHBondContact O-CE2 3.31Å; F223-E227 WeakPolarHBondContact CA-OE2 3.5Å; F223-E227 HydrophobicContact CB-CB 4.17Å; F223-E227 HydrophobicContact CD1-CB 4.39Å; F223-K232 HydrophobicContact CD1-CB 3.85Å; F223-K232 HydrophobicContact CE1-CB 3.84Å; F223-H233 HydrophobicContact CD2-CB 4.1Å; F223-H233 HydrophobicContact CE2-CB 4.28Å; F223-H233 HydrophobicContact CG-CB 4.47Å; F223-Y236 HydrophobicContact CE2-CD1 4.24Å; F223-Y236 HydrophobicContact CE2-CG 4.24Å; F223-Y236 HydrophobicContact CZ-CD1 4.32Å; F223-Y236 HydrophobicContact CZ-CD2 4.29Å; F223-Y236 AromaticContact CZ-CG 3.85Å; F223-Y236 HydrophobicContact CZ-CG 3.85Å
224T91.7Very high90.1Very high45 Ų4576.5 Ų76.528%0.27640%0.399SS..  trans-68.1167166.5890000110.6E226 E227 M228T224-E226 VanDerWaalsContact CB-OE2 3.27Å; T224-E226 WeakPolarHBondContact CB-OE2 3.34Å; T224-E226 PolarHBondContact O-N 3.14Å; T224-E226 PolarHBondContact OG1-N 2.84Å; T224-E226 PolarHBondContact OG1-OE2 3.18Å; T224-E227 HydrophobicContact CG2-CG 4.42Å; T224-E227 PolarHBondContact N-OE2 2.96Å; T224-E227 PolarHBondContact O-N 3.3Å; T224-E227 PolarHBondContact OG1-N 2.82Å; T224-M228 WeakPolarHBondContact O-CB 3.29Å; T224-M228 PolarHBondContact O-N 3.29Å
225K88.2Confident90.2Very high133 Ų13379.1 Ų79.158%0.57841%0.411SS*.Hα-helixtrans-57-37.1174.2172.4-166167.9-152.50111.4Q229K225-Q229 WeakPolarHBondContact O-CB 3.13Å; K225-Q229 PolarHBondContact O-N 3.21Å
226E90.6Very high90.3Very high112 Ų11273.2 Ų73.252%0.52338%0.383SS..Hα-helixtrans-72.2-46-177.4-59.161.1-130.900110.4T224 M228 Q229 A230T224-E226 VanDerWaalsContact CB-OE2 3.27Å; T224-E226 WeakPolarHBondContact CB-OE2 3.34Å; T224-E226 PolarHBondContact O-N 3.14Å; T224-E226 PolarHBondContact OG1-N 2.84Å; T224-E226 PolarHBondContact OG1-OE2 3.18Å; E226-M228 VanDerWaalsContact C-N 3.34Å; E226-M228 PolarHBondContact O-N 3.22Å; E226-Q229 CarbonylContact O-C 3.59Å; E226-Q229 WeakPolarHBondContact O-CB 3.25Å; E226-Q229 PolarHBondContact O-N 2.84Å; E226-A230 WeakPolarHBondContact O-CB 3.22Å; E226-A230 PolarHBondContact O-N 2.85Å
227E92Very high90.3Very high53 Ų5368 Ų6825%0.24836%0.355CS..Hα-helixtrans-64.7-37.3174.6-66.6-174.1118.800113.1F223 T224 Q229 A230 G231 K232F223-E227 WeakPolarHBondContact CA-OE2 3.5Å; F223-E227 HydrophobicContact CB-CB 4.17Å; F223-E227 HydrophobicContact CD1-CB 4.39Å; T224-E227 HydrophobicContact CG2-CG 4.42Å; T224-E227 PolarHBondContact N-OE2 2.96Å; T224-E227 PolarHBondContact O-N 3.3Å; T224-E227 PolarHBondContact OG1-N 2.82Å; E227-Q229 VanDerWaalsContact C-N 3.33Å; E227-A230 PolarHBondContact O-N 2.8Å; E227-G231 PolarHBondContact O-N 2.78Å; E227-K232 HydrophobicContact CB-CD 4.01Å; E227-K232 HydrophobicContact CB-CG 4.35Å; E227-K232 HydrophobicContact CG-CD 4.09Å; E227-K232 PolarHBondContact O-N 3.36Å; E227-K232 WeakPolarHBondContact OE1-CE 3.48Å; E227-K232 IonicContact OE1-NZ 3.87Å; E227-K232 PolarHBondContact OE1-NZ 3.11Å
228M88.8Confident90.5Very high41 Ų4172.9 Ų72.920%0.20237%0.373CS..Hα-helixtrans-65.6-40174.8-156.8-176.684.100110.4R104 T192 T224 E226 A230 G231 H233R104-M228 HydrophobicContact CB-SD 4.27Å; R104-M228 WeakPolarHBondContact CD-SD 3.25Å; T192-M228 HydrophobicContact CG2-SD 3.95Å; T224-M228 WeakPolarHBondContact O-CB 3.29Å; T224-M228 PolarHBondContact O-N 3.29Å; E226-M228 VanDerWaalsContact C-N 3.34Å; E226-M228 PolarHBondContact O-N 3.22Å; M228-A230 VanDerWaalsContact C-N 3.33Å; M228-G231 PolarHBondContact O-N 3.24Å; M228-H233 HydrophobicContact CG-CB 4.08Å; M228-H233 WeakPolarHBondContact CG-ND1 3.28Å; M228-H233 PolarHBondContact O-CE1 3.01Å; M228-H233 PolarHBondContact O-ND1 2.94Å
229Q88.6Confident90.7Very high168 Ų16875.8 Ų75.879%0.78538%0.382SS*.Hα-helixtrans-68.4-30174.3-171.359.762.500113.1K225 E226 E227 G231K225-Q229 WeakPolarHBondContact O-CB 3.13Å; K225-Q229 PolarHBondContact O-N 3.21Å; E226-Q229 CarbonylContact O-C 3.59Å; E226-Q229 WeakPolarHBondContact O-CB 3.25Å; E226-Q229 PolarHBondContact O-N 2.84Å; E227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-G231 PolarHBondContact O-N 3.14Å
230A91.4Very high90.8Very high77 Ų7768.8 Ų68.864%0.63635%0.35SS*.THydrogen-bonded Turntrans-77.6-0.9173.300000114E226 E227 M228E226-A230 WeakPolarHBondContact O-CB 3.22Å; E226-A230 PolarHBondContact O-N 2.85Å; E227-A230 PolarHBondContact O-N 2.8Å; M228-A230 VanDerWaalsContact C-N 3.33Å
231G90.8Very high90.7Very high20 Ų2068 Ų6821%0.20634%0.338CS..THydrogen-bonded Turntrans88.2-2.2173.900000116.3E227 M228 Q229 H233 Q234 E235E227-G231 PolarHBondContact O-N 2.78Å; M228-G231 PolarHBondContact O-N 3.24Å; Q229-G231 PolarHBondContact O-N 3.14Å; G231-H233 PolarHBondContact O-N 3.12Å; G231-Q234 WeakPolarHBondContact O-CA 3.21Å; G231-Q234 WeakPolarHBondContact O-CB 3.49Å; G231-Q234 PolarHBondContact O-N 3.08Å; G231-E235 PolarHBondContact O-N 3.29Å
232K91.6Very high90.6Very high88 Ų8872.8 Ų72.838%0.38336%0.36SS..Hα-helixtrans-53-35.4-178.4-64.2-162-172.3179.10113.7F223 E227 Q234 E235 Y236F223-K232 HydrophobicContact CD1-CB 3.85Å; F223-K232 HydrophobicContact CE1-CB 3.84Å; E227-K232 HydrophobicContact CB-CD 4.01Å; E227-K232 HydrophobicContact CB-CG 4.35Å; E227-K232 HydrophobicContact CG-CD 4.09Å; E227-K232 PolarHBondContact O-N 3.36Å; E227-K232 WeakPolarHBondContact OE1-CE 3.48Å; E227-K232 IonicContact OE1-NZ 3.87Å; E227-K232 PolarHBondContact OE1-NZ 3.11Å; K232-Q234 VanDerWaalsContact C-N 3.25Å; K232-Q234 PolarHBondContact O-N 3.16Å; K232-E235 WeakPolarHBondContact O-CB 3.43Å; K232-E235 PolarHBondContact O-N 2.72Å; K232-Y236 PolarHBondContact O-N 3.46Å
233H91.3Very high90.4Very high47 Ų4774.1 Ų74.122%0.21837%0.365CS..Hα-helixtrans-60.8-31.9176.574.1-79.5000113.3V106 F223 M228 G231 E237V106-H233 HydrophobicContact CG2-CB 4.22Å; F223-H233 HydrophobicContact CD2-CB 4.1Å; F223-H233 HydrophobicContact CE2-CB 4.28Å; F223-H233 HydrophobicContact CG-CB 4.47Å; M228-H233 HydrophobicContact CG-CB 4.08Å; M228-H233 WeakPolarHBondContact CG-ND1 3.28Å; M228-H233 PolarHBondContact O-CE1 3.01Å; M228-H233 PolarHBondContact O-ND1 2.94Å; G231-H233 PolarHBondContact O-N 3.12Å; H233-E237 PolarHBondContact O-N 2.85Å; H233-E237 VanDerWaalsContact O-N 3.07Å
234Q91.9Very high89.9Confident110 Ų11074.5 Ų74.551%0.51437%0.368SS..Hα-helixtrans-82.8-27.7177.9-168.8-178.8-10.700112G231 K232 Q238G231-Q234 WeakPolarHBondContact O-CA 3.21Å; G231-Q234 WeakPolarHBondContact O-CB 3.49Å; G231-Q234 PolarHBondContact O-N 3.08Å; K232-Q234 VanDerWaalsContact C-N 3.25Å; K232-Q234 PolarHBondContact O-N 3.16Å; Q234-Q238 WeakPolarHBondContact O-CG 3.5Å; Q234-Q238 PolarHBondContact O-N 3.34Å; Q234-Q238 VanDerWaalsContact O-N 3.1Å; Q234-Q238 PolarHBondContact O-NE2 3.46Å; Q234-Q238 VanDerWaalsContact O-NE2 3.12Å
235E91.9Very high89.4Confident126 Ų12676.3 Ų76.359%0.58937%0.37SS*.Hα-helixtrans-66.9-41.8167.6-57.7179.6146.400110.6G231 K232 Q238 K239G231-E235 PolarHBondContact O-N 3.29Å; K232-E235 WeakPolarHBondContact O-CB 3.43Å; K232-E235 PolarHBondContact O-N 2.72Å; E235-Q238 PolarHBondContact O-N 2.93Å; E235-K239 WeakPolarHBondContact O-CB 3.46Å; E235-K239 PolarHBondContact O-N 3.49Å
236Y91.7Very high89.1Confident24 Ų2476.4 Ų76.49%0.09437%0.371CS..Hα-helixtrans-63.9-41.1175.3178.9-101.8000112.9V106 R108 A220 A221 F223 K232 K239 L240V106-Y236 HydrophobicContact CB-CD1 4.32Å; V106-Y236 HydrophobicContact CB-CE1 4.21Å; V106-Y236 HydrophobicContact CG1-CD1 4.13Å; V106-Y236 HydrophobicContact CG1-CE1 4.05Å; R108-Y236 VanDerWaalsContact CZ-OH 3.24Å; R108-Y236 PolarHBondContact NE-OH 3.27Å; R108-Y236 PolarHBondContact NH2-OH 3.17Å; A220-Y236 HydrophobicContact CB-CE2 4.22Å; A220-Y236 WeakPolarHBondContact O-CD2 3.3Å; A220-Y236 WeakPolarHBondContact O-CE2 3.5Å; A221-Y236 HydrophobicContact CB-CE1 4.05Å; A221-Y236 WeakPolarHBondContact CB-OH 3.42Å; F223-Y236 HydrophobicContact CE2-CD1 4.24Å; F223-Y236 HydrophobicContact CE2-CG 4.24Å; F223-Y236 HydrophobicContact CZ-CD1 4.32Å; F223-Y236 HydrophobicContact CZ-CD2 4.29Å; F223-Y236 AromaticContact CZ-CG 3.85Å; F223-Y236 HydrophobicContact CZ-CG 3.85Å; K232-Y236 PolarHBondContact O-N 3.46Å; Y236-K239 PolarHBondContact O-N 3.11Å; Y236-L240 HydrophobicContact CD1-CD1 3.91Å; Y236-L240 HydrophobicContact CE1-CD1 3.36Å; Y236-L240 HydrophobicContact CE1-CG 4.16Å; Y236-L240 PolarHBondContact O-N 3.45Å
237E90.3Very high88.4Confident21 Ų2176.9 Ų76.910%0.09838%0.376CS..Hα-helixtrans-60-47171.8-178.4176.2130.400111.9I173 S189 L190 H233 K239 L240 L241I173-E237 WeakPolarHBondContact CG2-OE1 3.27Å; S189-E237 WeakPolarHBondContact CA-OE2 3.41Å; S189-E237 VanDerWaalsContact CB-OE2 3.32Å; S189-E237 WeakPolarHBondContact CB-OE2 3.5Å; L190-E237 HydrophobicContact CD1-CB 4.04Å; L190-E237 HydrophobicContact CD1-CG 3.96Å; L190-E237 HydrophobicContact CG-CG 4.05Å; L190-E237 PolarHBondContact N-OE2 3.45Å; H233-E237 PolarHBondContact O-N 2.85Å; H233-E237 VanDerWaalsContact O-N 3.07Å; E237-K239 VanDerWaalsContact C-N 3.32Å; E237-K239 PolarHBondContact O-N 3.18Å; E237-L240 PolarHBondContact O-N 3Å; E237-L241 PolarHBondContact O-N 2.77Å
238Q90.4Very high87.4Confident120 Ų12078.2 Ų78.256%0.56139%0.385SS*.Hα-helixtrans-61.7-39175.5-76.8173.69400112.2Q234 E235 L241 Q242Q234-Q238 WeakPolarHBondContact O-CG 3.5Å; Q234-Q238 PolarHBondContact O-N 3.34Å; Q234-Q238 VanDerWaalsContact O-N 3.1Å; Q234-Q238 PolarHBondContact O-NE2 3.46Å; Q234-Q238 VanDerWaalsContact O-NE2 3.12Å; E235-Q238 PolarHBondContact O-N 2.93Å; Q238-L241 PolarHBondContact O-N 3.44Å; Q238-Q242 WeakPolarHBondContact O-CB 3.39Å; Q238-Q242 PolarHBondContact O-N 2.69Å
239K91.9Very high86.3Confident131 Ų13181.5 Ų81.557%0.5741%0.409SS*.Hα-helixtrans-62.5-48.3174.9-175.8-176.3175.1-173.60111.6E235 Y236 E237 L241 Q242 D243E235-K239 WeakPolarHBondContact O-CB 3.46Å; E235-K239 PolarHBondContact O-N 3.49Å; Y236-K239 PolarHBondContact O-N 3.11Å; E237-K239 VanDerWaalsContact C-N 3.32Å; E237-K239 PolarHBondContact O-N 3.18Å; K239-L241 VanDerWaalsContact C-N 3.3Å; K239-L241 PolarHBondContact O-N 3.05Å; K239-Q242 PolarHBondContact O-N 3.45Å; K239-D243 WeakPolarHBondContact O-CB 3.37Å; K239-D243 PolarHBondContact O-N 3.39Å
240L89.4Confident84.8Confident30 Ų3076.5 Ų76.516%0.15740%0.403CS..Hα-helixtrans-57.6-43.1176.4-82.2171000112R108 L170 L190 Y236 E237 D243 L244R108-L240 HydrophobicContact CG-CD1 4.03Å; L170-L240 HydrophobicContact CD1-CB 4.37Å; L170-L240 HydrophobicContact CD2-CB 4.41Å; L190-L240 HydrophobicContact CD1-CD1 3.67Å; Y236-L240 HydrophobicContact CD1-CD1 3.91Å; Y236-L240 HydrophobicContact CE1-CD1 3.36Å; Y236-L240 HydrophobicContact CE1-CG 4.16Å; Y236-L240 PolarHBondContact O-N 3.45Å; E237-L240 PolarHBondContact O-N 3Å; L240-D243 PolarHBondContact O-N 3.43Å; L240-L244 PolarHBondContact O-N 3.02Å; L240-L244 VanDerWaalsContact O-N 3.12Å
241L86.7Confident83.2Confident39 Ų3975.6 Ų75.620%0.20438%0.384CS..Hα-helixtrans-64.7-49.7176.7-16271.9000110.6L170 Q174 E237 Q238 K239 D243 L244 Y245L170-L241 HydrophobicContact CB-CD1 4.31Å; Q174-L241 HydrophobicContact CB-CD1 4.29Å; E237-L241 PolarHBondContact O-N 2.77Å; Q238-L241 PolarHBondContact O-N 3.44Å; K239-L241 VanDerWaalsContact C-N 3.3Å; K239-L241 PolarHBondContact O-N 3.05Å; L241-D243 VanDerWaalsContact C-N 3.27Å; L241-D243 PolarHBondContact O-N 3.36Å; L241-L244 WeakPolarHBondContact O-CB 3.29Å; L241-L244 PolarHBondContact O-N 3.48Å; L241-L244 VanDerWaalsContact O-N 3.13Å; L241-Y245 HydrophobicContact CD2-CE2 4.21Å; L241-Y245 HydrophobicContact CG-CD2 4.26Å; L241-Y245 HydrophobicContact CG-CE2 3.96Å; L241-Y245 VanDerWaalsContact O-CD2 3.26Å; L241-Y245 WeakPolarHBondContact O-CD2 3.48Å; L241-Y245 PolarHBondContact O-N 3.02Å
242Q88.6Confident81.3Confident102 Ų10279.5 Ų79.548%0.47740%0.4SS..Hα-helixtrans-60.1-33.2178.6177.961.298.500113Q238 K239 Y245 K246Q238-Q242 WeakPolarHBondContact O-CB 3.39Å; Q238-Q242 PolarHBondContact O-N 2.69Å; K239-Q242 PolarHBondContact O-N 3.45Å; Q242-Y245 WeakPolarHBondContact O-CB 3.47Å; Q242-Y245 PolarHBondContact O-N 3.28Å; Q242-K246 WeakPolarHBondContact O-CG 3.49Å; Q242-K246 PolarHBondContact O-N 2.85Å
243D87.9Confident79.3Confident51 Ų5183 Ų8327%0.27342%0.418SS..Hα-helixtrans-75.9-34.5176.4-69.3-23.2000111.7K239 L240 L241 Y245 K246 I247K239-D243 WeakPolarHBondContact O-CB 3.37Å; K239-D243 PolarHBondContact O-N 3.39Å; L240-D243 PolarHBondContact O-N 3.43Å; L241-D243 VanDerWaalsContact C-N 3.27Å; L241-D243 PolarHBondContact O-N 3.36Å; D243-Y245 VanDerWaalsContact C-N 3.34Å; D243-Y245 PolarHBondContact O-N 2.76Å; D243-K246 PolarHBondContact O-N 3.05Å; D243-K246 IonicContact OD1-NZ 2.68Å; D243-K246 PolarHBondContact OD1-NZ 2.95Å; D243-I247 WeakPolarHBondContact O-CD1 3.32Å; D243-I247 VanDerWaalsContact O-CG1 3.25Å; D243-I247 WeakPolarHBondContact O-CG1 3.21Å; D243-I247 PolarHBondContact O-N 2.79Å; D243-I247 VanDerWaalsContact O-N 3.09Å
244L82.9Confident77.3Confident27 Ų2784.9 Ų84.914%0.14143%0.434CS..Hα-helixtrans-58.9-42.9166.7-78.1-178000112.4E167 L170 L240 L241 K246 I247 N248 F251E167-L244 HydrophobicContact CG-CD2 4.36Å; L170-L244 HydrophobicContact CB-CD1 3.71Å; L170-L244 HydrophobicContact CD1-CD1 3.53Å; L170-L244 HydrophobicContact CD1-CG 4.31Å; L170-L244 HydrophobicContact CG-CD1 4.23Å; L240-L244 PolarHBondContact O-N 3.02Å; L240-L244 VanDerWaalsContact O-N 3.12Å; L241-L244 WeakPolarHBondContact O-CB 3.29Å; L241-L244 PolarHBondContact O-N 3.48Å; L241-L244 VanDerWaalsContact O-N 3.13Å; L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 3.14Å; L244-I247 PolarHBondContact O-N 3.22Å; L244-N248 PolarHBondContact O-N 3.32Å; L244-F251 HydrophobicContact CD1-CE1 3.97Å; L244-F251 HydrophobicContact CD1-CZ 4.22Å
245Y80.5Confident74.8Confident82 Ų8284.7 Ų84.732%0.32244%0.442SS..Hα-helixtrans-57.6-40.4175.9-90-83.9000112.8Q174 L241 Q242 D243 N248 L252Q174-Y245 PolarHBondContact NE2-OH 3.13Å; Q174-Y245 PolarHBondContact OE1-OH 3.38Å; L241-Y245 HydrophobicContact CD2-CE2 4.21Å; L241-Y245 HydrophobicContact CG-CD2 4.26Å; L241-Y245 HydrophobicContact CG-CE2 3.96Å; L241-Y245 VanDerWaalsContact O-CD2 3.26Å; L241-Y245 WeakPolarHBondContact O-CD2 3.48Å; L241-Y245 PolarHBondContact O-N 3.02Å; Q242-Y245 WeakPolarHBondContact O-CB 3.47Å; Q242-Y245 PolarHBondContact O-N 3.28Å; D243-Y245 VanDerWaalsContact C-N 3.34Å; D243-Y245 PolarHBondContact O-N 2.76Å; Y245-N248 CarbonylContact O-C 3.56Å; Y245-L252 HydrophobicContact CD1-CG 4.36Å; Y245-L252 HydrophobicContact CE1-CD1 3.87Å; Y245-L252 HydrophobicContact CE1-CD2 3.68Å; Y245-L252 HydrophobicContact CE1-CG 3.55Å; Y245-L252 WeakPolarHBondContact OH-CD2 3.41Å
246K81.8Confident72.1Confident136 Ų13682.9 Ų82.959%0.59145%0.449SS*.Hα-helixtrans-69.2-39.3177.8-67.6166.5-167.6159.10112Q242 D243 L244Q242-K246 WeakPolarHBondContact O-CG 3.49Å; Q242-K246 PolarHBondContact O-N 2.85Å; D243-K246 PolarHBondContact O-N 3.05Å; D243-K246 IonicContact OD1-NZ 2.68Å; D243-K246 PolarHBondContact OD1-NZ 2.95Å; L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 3.14Å
247I76.5Confident69.3Low121 Ų12187.2 Ų87.262%0.62148%0.482SS*.Hα-helixtrans-75.9-34-176.6-63.4164.4000111.1D243 L244D243-I247 WeakPolarHBondContact O-CD1 3.32Å; D243-I247 VanDerWaalsContact O-CG1 3.25Å; D243-I247 WeakPolarHBondContact O-CG1 3.21Å; D243-I247 PolarHBondContact O-N 2.79Å; D243-I247 VanDerWaalsContact O-N 3.09Å; L244-I247 PolarHBondContact O-N 3.22Å
248N71.3Confident66.6Low82 Ų8289.9 Ų89.944%0.43951%0.514SS..  trans-134.385.7178.7-73.5-78.6000112L244 Y245 G250 F251L244-N248 PolarHBondContact O-N 3.32Å; Y245-N248 CarbonylContact O-C 3.56Å; N248-G250 PolarHBondContact O-N 2.91Å; N248-G250 VanDerWaalsContact O-N 3.11Å; N248-F251 HydrophobicContact CB-CB 3.8Å; N248-F251 HydrophobicContact CB-CD2 4.46Å; N248-F251 HydrophobicContact CB-CG 4.43Å; N248-F251 WeakPolarHBondContact O-CB 3.38Å; N248-F251 PolarHBondContact O-N 2.85Å
249P64.4Low63.9Low110 Ų11090.1 Ų90.171%0.71452%0.524SS*.G310 helixtrans-61.5-19.4175.123.1-33.4000113.9
250G57.6Low61.1Low63 Ų6392.5 Ų92.565%0.64954%0.537SS*.G310 helixtrans-80.1-8.7172.800000115.4N248 L252 Q253N248-G250 PolarHBondContact O-N 2.91Å; N248-G250 VanDerWaalsContact O-N 3.11Å; G250-L252 PolarHBondContact O-N 2.84Å; G250-L252 VanDerWaalsContact O-N 3.14Å; G250-Q253 PolarHBondContact O-N 2.98Å
251F58Low58.5Low57 Ų57100.9 Ų100.925%0.2557%0.572CS.*G310 helixtrans-68.7-11.6-174.4-160.9-113.4000114E167 R171 L244 N248 Q253E167-F251 HydrophobicContact CB-CZ 4.24Å; R171-F251 HydrophobicContact CG-CD1 4.25Å; R171-F251 HydrophobicContact CG-CE1 3.36Å; R171-F251 HydrophobicContact CG-CE2 4.19Å; R171-F251 HydrophobicContact CG-CZ 3.35Å; L244-F251 HydrophobicContact CD1-CE1 3.97Å; L244-F251 HydrophobicContact CD1-CZ 4.22Å; N248-F251 HydrophobicContact CB-CB 3.8Å; N248-F251 HydrophobicContact CB-CD2 4.46Å; N248-F251 HydrophobicContact CB-CG 4.43Å; N248-F251 WeakPolarHBondContact O-CB 3.38Å; N248-F251 PolarHBondContact O-N 2.85Å; F251-Q253 VanDerWaalsContact C-N 3.28Å; F251-Q253 PolarHBondContact O-N 3.14Å
252L51.4Low55.9Low102 Ų102105 Ų10553%0.53461%0.605SS.*G310 helixtrans-70.3-18176.3-97.3179000114.6Y245 G250 P254Y245-L252 HydrophobicContact CD1-CG 4.36Å; Y245-L252 HydrophobicContact CE1-CD1 3.87Å; Y245-L252 HydrophobicContact CE1-CD2 3.68Å; Y245-L252 HydrophobicContact CE1-CG 3.55Å; Y245-L252 WeakPolarHBondContact OH-CD2 3.41Å; G250-L252 PolarHBondContact O-N 2.84Å; G250-L252 VanDerWaalsContact O-N 3.14Å; L252-P254 VanDerWaalsContact O-CD 3.26Å; L252-P254 WeakPolarHBondContact O-CD 3.41Å
253Q49.7Very low53.3Low163 Ų163110.2 Ų110.276%0.76263%0.626SS**SBendtrans-71.7118.6-178.5-168.116279.900109.3G250 F251G250-Q253 PolarHBondContact O-N 2.98Å; F251-Q253 VanDerWaalsContact C-N 3.28Å; F251-Q253 PolarHBondContact O-N 3.14Å
254P48.5Very low50.5Low85 Ų85113.6 Ų113.655%0.55265%0.654SS**  trans-58151.6170.7-19.632.5000109.2L252 A256L252-P254 VanDerWaalsContact O-CD 3.26Å; L252-P254 WeakPolarHBondContact O-CD 3.41Å; P254-A256 PolarHBondContact O-N 3.27Å
255P40.6Very low48.2Very low106 Ų106122.1 Ų122.169%0.68869%0.689SS**  trans-56.9108.8170.225.2-33.1000108C257P255-C257 PolarHBondContact O-N 3.45Å
256A34.2Very low46.6Very low89 Ų89123.9 Ų123.974%0.73671%0.711SS**  trans-60.6115.5-169.400000109.4P254 G258P254-A256 PolarHBondContact O-N 3.27Å; A256-G258 PolarHBondContact O-N 2.97Å
257C33.2Very low43.9Very low115 Ų115125.1 Ų125.178%0.77772%0.724SS**  trans-60113.7-178.9-170.20000108.7P255 T259P255-C257 PolarHBondContact O-N 3.45Å; C257-T259 PolarHBondContact O-N 3.11Å; C257-T259 PolarHBondContact O-OG1 2.94Å
258G32.6Very low41.7Very low76 Ų76123.5 Ų123.578%0.78472%0.724SS**  trans-65.1100.1-169.700000111.3A256A256-G258 PolarHBondContact O-N 2.97Å
259T34.8Very low39.8Very low125 Ų125125.5 Ų125.577%0.76774%0.739SS**  trans-110.6123.7168.325.90000108.4C257C257-T259 PolarHBondContact O-N 3.11Å; C257-T259 PolarHBondContact O-OG1 2.94Å
260E31.9Very low38.3Very low182 Ų182129.5 Ų129.585%0.8575%0.748SS**  trans-64.3152-179.658.5-122.770.800113.3
261K35.9Very low36.9Very low205 Ų205137.3 Ų137.389%0.89176%0.758SS**  trans-77.9130.7-174.3-65.4177.1-179.11740111.2
262S31.3Very low35.4Very low127 Ų127141.6 Ų141.689%0.88879%0.789SS**  trans-133.7161.3157.4-89.70000111.1
263K35.6Very low34.2Very low210 Ų210143.8 Ų143.891%0.91380%0.801SS**  trans-129.9113.4-142.2173.1-170172.4-173.60113.4
264S28.9Very low33.3Very low123 Ų123141.1 Ų141.186%0.8680%0.801SS**  trans-151.9164.2163.454.60000111.5
265K34Very low32.3Very low205 Ų205142.9 Ų142.989%0.89182%0.815SS**  trans-112162.1-174.2-118.6172166.5175.50110.6
266P45.9Very low32Very low120 Ų120145.5 Ų145.578%0.77982%0.824SS**  trans-96.9170.3-154.638.8-38.7000115.1
267N26.6Very low31.7Very low161 Ų161145.3 Ų145.386%0.86183%0.83SS**  trans-150.7145.2152.4-158.813.6000114.3
268S29.9Very low31.7Very low88 Ų88147.3 Ų147.362%0.61583%0.825SS**  trans19.2117.5160.3-150.10000123.8
269T31.1Very low31.8Very low124 Ų124150.6 Ų150.676%0.76183%0.825SS**  52.2114.2119.5-39.60000122.1
270Q31.9Very low31.7Very low194 Ų194148.8 Ų148.891%0.90782%0.817SS**  -163.7-171100.7-141.2166.2-0.100111.8
271R28.9Very low32Very low226 Ų226140.8 Ų140.885%0.85378%0.779SS**  trans-135.7130.5-158.1173-148.8-77.6-160.7-4.4113.3
272T26.3Very low32.2Very low147 Ų147134.3 Ų134.390%0.90276%0.758SS**  trans-161.9165.3151.311.90000114.6
273N26.8Very low32.1Very low148 Ų148132.9 Ų132.979%0.79175%0.745SS**  trans-47.8144.5-168.7-83.6-1.6000121.5
274S30.4Very low31.9Very low107 Ų107130.8 Ų130.875%0.74874%0.742SS**  38.8115.8126.6-45.20000122.3
275S27.1Very low32Very low123 Ų123129.4 Ų129.486%0.8673%0.733SS**  -175.8171.9122.443.90000112.3
276N35.4Very low31.7Very low161 Ų161123.7 Ų123.786%0.86173%0.732SS**  trans-53.4130.5-169.6-62.3-14.2000115.7
277G26.5Very low31.1Very low84 Ų84126.9 Ų126.987%0.86674%0.736SS**  trans-83.7135.9156.300000110.9
278K33Very low31.2Very low157 Ų157125.9 Ų125.968%0.68373%0.731SS**  trans-134.9111.6-176174.1-176.2173.5-1760109.5S280K278-S280 PolarHBondContact O-N 3.08Å
279D34.5Very low31.4Very low145 Ų145130.4 Ų130.478%0.77574%0.739SS**  trans-67.194.7176-70.5-61.9000110.8W281D279-W281 PolarHBondContact O-N 2.77Å
280S32.9Very low31.6Very low87 Ų87131.4 Ų131.461%0.60874%0.74SS**  trans-73.2124.1-175.9-165.70000111.1K278K278-S280 PolarHBondContact O-N 3.08Å
281W38Very low31.5Very low14 Ų14126.2 Ų126.25%0.05373%0.73CS.*  trans-62.8152.4160-79.952.7000110.1Y131 F135 V176 V179 V181 D279 T283Y131-W281 HydrophobicContact CD1-CE3 4.19Å; Y131-W281 AromaticContact CD1-CZ3 3.75Å; Y131-W281 HydrophobicContact CD1-CZ3 3.75Å; Y131-W281 HydrophobicContact CG-CZ3 4.24Å; F135-W281 HydrophobicContact CE2-CH2 4.22Å; F135-W281 AromaticContact CE2-CZ2 3.87Å; F135-W281 HydrophobicContact CE2-CZ2 3.87Å; F135-W281 AromaticContact CZ-CZ2 3.94Å; F135-W281 HydrophobicContact CZ-CZ2 3.94Å; V176-W281 HydrophobicContact CG2-CH2 3.93Å; V176-W281 HydrophobicContact CG2-CZ2 3.53Å; V179-W281 HydrophobicContact CG1-CG 4.08Å; V181-W281 HydrophobicContact CG2-CB 4.23Å; V181-W281 HydrophobicContact CG2-CE3 4.47Å; V181-W281 HydrophobicContact CG2-CG 4.48Å; D279-W281 PolarHBondContact O-N 2.77Å; W281-T283 PolarHBondContact O-N 3.26Å; W281-T283 PolarHBondContact O-OG1 2.85Å
282P40.1Very low31.5Very low69 Ų69122.6 Ų122.645%0.44873%0.727SS.*  trans-62.7112.5-170.424-34000111.4
283T31.2Very low31.6Very low98 Ų98118.9 Ų118.960%0.60172%0.718SS**  trans-101.9109.4177-62.70000108.7W281 S285W281-T283 PolarHBondContact O-N 3.26Å; W281-T283 PolarHBondContact O-OG1 2.85Å; T283-S285 PolarHBondContact O-N 2.82Å
284L31.3Very low31.7Very low165 Ų165119 Ų11986%0.86472%0.718SS**  trans-80.7107.3174.1-69.3174.1000109.5
285S29.1Very low31.6Very low95 Ų95118.4 Ų118.466%0.66471%0.714SS**  trans-135.485.4177.1-71.10000111.1T283T283-S285 PolarHBondContact O-N 2.82Å
286G29.2Very low31.8Very low85 Ų85121 Ų12188%0.87671%0.712SS**  trans-80.2123.7166.200000110.2
287H32.8Very low31.6Very low186 Ų186118.2 Ų118.286%0.86170%0.698SS**  trans-96.3159.9-176.8-13182.9000112.4
288N28.6Very low31.8Very low141 Ų141123.1 Ų123.175%0.75469%0.69SS**  trans-116.4127-178.7-115.4-55.8000111.6
289K34.4Very low31.6Very low182 Ų182122.9 Ų122.979%0.79169%0.689SS**  trans66.3161.2157-88.8176.3168.9-175.80117.7
290L35.2Very low31.2Very low146 Ų146121.3 Ų121.376%0.76469%0.69SS**  cis-156.6157.111-128.5177.8000112.5
291A30.7Very low32.2Very low85 Ų85122.7 Ų122.770%0.70270%0.696SS**  trans66.3158.9150.400000120.6
292N28.8Very low32.4Very low150 Ų150128.4 Ų128.480%0.80274%0.735SS**  cis-150.6159.60.6-159.414.5000113.2
293G27.5Very low31.8Very low69 Ų69132.5 Ų132.571%0.71175%0.753SS**  trans172.6129.7170.600000113.4
294L29.6Very low31.6Very low150 Ų150134.6 Ų134.679%0.78576%0.759SS**  trans-111169-173.7-65.9161.1000110.9
295S28.7Very low31.3Very low94 Ų94132.4 Ų132.466%0.65775%0.749SS**  cis-152.9156.522-45.30000114.7
296E30.3Very low31.2Very low178 Ų178137.1 Ų137.183%0.83275%0.753SS**  trans37153.3133-69.616699.500123.5
297D30.9Very low31.2Very low103 Ų103140 Ų14055%0.55175%0.747SS**  cis-147.8174.15.5-177.1-148.8000110.7K299D297-K299 IonicContact OD1-NZ 3.96Å; D297-K299 IonicContact OD2-NZ 3.94Å
298R30.2Very low31Very low186 Ų186136.4 Ų136.470%0.70274%0.735SS**  trans111.489.2149-66-86.7132.21683.2120.8
299K28.8Very low31Very low152 Ų152137.8 Ų137.866%0.66174%0.736SS**  73.7144.6125.3-90.457.9176.8176.40121.2D297D297-K299 IonicContact OD1-NZ 3.96Å; D297-K299 IonicContact OD2-NZ 3.94Å
300S26Very low30.6Very low113 Ų113137 Ų13779%0.7974%0.736SS**  trans-123-162.9-173.9-48.10000110.5
301P54Low30.3Very low116 Ų116133.7 Ų133.775%0.75373%0.73SS**  -111.1-165.8-83.938.5-22.6000111.3
302P42.8Very low30.2Very low133 Ų133134.3 Ų134.386%0.86473%0.728SS**  -144.6-170.4124.139.9-25.7000114.7
303L27.7Very low30.1Very low156 Ų156134.4 Ų134.482%0.81773%0.729SS**  trans-131.9163.6-179.6-141.2-170.6000109
304L26.3Very low30.1Very low142 Ų142135.7 Ų135.774%0.74373%0.727SS**  trans97.4130.5146.2-143.980.9000121.3
305D25.9Very low29.9Very low119 Ų119136.5 Ų136.564%0.63673%0.732SS**  trans88131.8140.9-108.6-115.3000126.8
306Y27.1Very low29.8Very low194 Ų194135.6 Ų135.676%0.76174%0.737SS**  trans59146.2148.9-103.6-134.1000121
307L29.8Very low29.8Very low144 Ų144135 Ų13575%0.75474%0.739SS**  cis-112.8147.2-2.1-100.387.3000109.9
308D28.3Very low29.5Very low111 Ų111137.9 Ų137.959%0.59475%0.749SS**  77.1115.270.8-162.4-85.4000116.8
309Q28.5Very low29.4Very low170 Ų170133.3 Ų133.379%0.79475%0.746SS**  trans-158143.6133.6-16577.4110.700109.7
310E25.7Very low29.2Very low166 Ų166134.1 Ų134.178%0.77675%0.752SS**  trans-75.4174.4-170.2-40179.789.200114.1
311A29.5Very low29.4Very low77 Ų77136 Ų13664%0.63675%0.753SS**  cis-157.3156.410.400000113.2
312S27.3Very low28Very low97 Ų97133.9 Ų133.968%0.67875%0.751SS**  trans36.6146140.163.40000122.3
313N26.6Very low27.6Very low153 Ų153133.8 Ų133.882%0.81875%0.751SS**  cis-175.1173.12.9-102.54.9000106.6
314S27.3Very low27.5Very low95 Ų95130 Ų13066%0.66475%0.749SS**  cis-165.8175.4-10.5-97.30000108.7
315D26.2Very low27.5Very low168 Ų168132.9 Ų132.990%0.89876%0.759SS**  trans-58.4159.3170.1-66.2-96.1000115.9
316G26.2Very low27.6Very low74 Ų74138.5 Ų138.576%0.76377%0.771SS**  trans170.775.6166.500000119
317L30.5Very low28.1Very low166 Ų166134.7 Ų134.787%0.86977%0.77SS**  trans43.6138.7139.4-93157.1000124.5
318E24.7Very low27.8Very low164 Ų164133.1 Ų133.177%0.76677%0.766SS**  trans96.1146.8138.2-116.7-163.573.700124.5
319S27.6Very low27.7Very low89 Ų89135.8 Ų135.862%0.62278%0.78SS**  trans54.6103.1148-68.80000124.3
320E25Very low27.6Very low170 Ų170132 Ų13279%0.79477%0.772SS**  58.4155.2123.8-126.3-159.812700124.3
321L29.7Very low28.3Very low153 Ų153130 Ų13080%0.80177%0.774SS**  trans72.5140.9160.4-64.1173.9000121.8
322G25.7Very low28.2Very low70 Ų70135.4 Ų135.472%0.72278%0.783SS**  trans105.299.3138.800000118.3
323P34Very low28.2Very low132 Ų132135.5 Ų135.586%0.85778%0.784SS**  trans-91.2132.1174.934-32.4000114.4
324G25.9Very low28.3Very low76 Ų76133.5 Ų133.578%0.78478%0.782SS**  trans72.7109134.100000120.1
325Q25.7Very low28.4Very low203 Ų203137 Ų13795%0.94979%0.793SS**  trans-118.9152.8150.3-72.5-160.4-3.500112.3
326R27.6Very low28.4Very low237 Ų237135.1 Ų135.189%0.89479%0.792SS**  trans-77.8172172.9-84.7179.2175.8-169.1-0.9110.4
327P38.1Very low28.4Very low113 Ų113139.2 Ų139.273%0.73480%0.796SS**  cis-138.1-166.629.541.2-19.3000114.9
328T23.1Very low28.3Very low111 Ų111136.4 Ų136.468%0.68179%0.79SS**  -174.3120.287.8-66.50000113.3
329L25.9Very low28.2Very low167 Ų167136.8 Ų136.887%0.87480%0.798SS**  trans64.7165.8149.6-62.2173.9000124
330S28.3Very low28.3Very low91 Ų91137.4 Ų137.464%0.63680%0.802SS**  trans-123.6-163.7-172.953.70000111.5
331P40.6Very low29Very low124 Ų124135 Ų13581%0.80580%0.801SS**  -148.5-173.294.939.1-20.4000116.5
332F25.6Very low28.7Very low191 Ų191134.5 Ų134.584%0.83880%0.799SS**  trans-74.5-175.6179.8-75.3-105.4000112.8
333S27.3Very low28.7Very low99 Ų99136.6 Ų136.669%0.69279%0.794SS**  cis-173.6167.231.1-157.20000117.2
334S28.8Very low28.3Very low110 Ų110138.8 Ų138.877%0.76979%0.79SS**  trans86.6139.8141.8-59.50000123
335N30.1Very low29.5Very low169 Ų169140.9 Ų140.990%0.90479%0.79SS**  trans-85.1158.3167.5-68.5-5.7000112.5
336C27.1Very low30.4Very low129 Ų129136.2 Ų136.287%0.87278%0.777SS**  trans-157.1159.2136.162.20000111.1
337D25.9Very low30.2Very low159 Ų159133 Ų13385%0.8577%0.772SS**  trans-97.7175.7-169-129.5-54.5000114.9
338S28.4Very low29.8Very low108 Ų108131.3 Ų131.376%0.75576%0.763SS**  trans-81.3161.8-166.8-58.10000115.7
339N22.7Very low30.1Very low171 Ų171133.2 Ų133.291%0.91477%0.768SS**  trans-142.7137.4157.8-130.7-21.2000111
340S29.6Very low30Very low103 Ų103128.8 Ų128.872%0.7276%0.763SS**  trans-107.9178.9176.7-134.50000109.5
341P39.8Very low30Very low120 Ų120132.9 Ų132.978%0.77977%0.774SS**  cis-121.5-179.933.88.719.4000113.3
342N23.4Very low29.4Very low141 Ų141133.6 Ų133.675%0.75478%0.776SS**  cis112.5107.118-163.242.9000114.5
343D23.8Very low29.4Very low114 Ų114131.9 Ų131.961%0.6178%0.775SS**  trans60.1141.8147.2-105.6-146.5000127.6
344K27.4Very low29.4Very low178 Ų178130.4 Ų130.477%0.77478%0.775SS**  trans95.8150142.6-77.2170.5170.889.70123.2
345P50Low29.3Very low120 Ų120134.1 Ų134.178%0.77978%0.781SS**  trans-108.9-112.6-166.230.1-6.3000113.1
346P44.7Very low29.1Very low105 Ų105130.6 Ų130.668%0.68278%0.775SS**  cis-135.1-153.914.328.80.2000115.2
347E24.6Very low29.2Very low169 Ų169131.7 Ų131.779%0.7977%0.771SS**  trans80.9153.4154.7-60.4-141.77000122
348S28.7Very low29.3Very low79 Ų79131.1 Ų131.155%0.55276%0.763SS**  cis-165.9146.5-23.4-990000114.7
349I28.8Very low29.3Very low150 Ų150134.1 Ų134.177%0.76977%0.766SS**  trans51.9131.3141.7-56168.6000121.9M351I349-M351 HydrophobicContact CG2-CG 4.36Å
350G25.4Very low29.2Very low75 Ų75134.4 Ų134.477%0.77376%0.763SS**  trans-160.8132.6154.200000111.5
351M26.7Very low29.5Very low177 Ų177134.3 Ų134.387%0.87276%0.761SS**  trans-127142.3-168.8-61162.763.200112.8I349I349-M351 HydrophobicContact CG2-CG 4.36Å
352V27.7Very low28.8Very low138 Ų138134.7 Ų134.784%0.83676%0.761SS**  trans-160.2159.8151.686.20000112.7
353N27Very low29Very low156 Ų156133.1 Ų133.183%0.83476%0.761SS**  trans-38.3165172.3-60.26.1000116.5
354G27.1Very low29Very low67 Ų67134.8 Ų134.869%0.69177%0.77SS**  cis151171.52.700000111.1
355E25.7Very low29Very low189 Ų189131.1 Ų131.188%0.88377%0.767SS**  trans-74.1146.9-169.763.6-1206700117
356A26.8Very low28.4Very low95 Ų95131.4 Ų131.479%0.78577%0.769SS**  trans-17611214000000114.4
357L27.9Very low27.6Very low151 Ų151132 Ų13279%0.79178%0.775SS**  trans39.8122.2141.2-107.671.7000124.2
358Q29.1Very low28.4Very low147 Ų147129.5 Ų129.569%0.68777%0.773SS**  93.9135.9121.5-103.5-177.145.800124.3
359Q27.3Very low28.9Very low172 Ų172131.2 Ų131.280%0.80478%0.783SS**  trans86136.3153.3-64.3179.248.400120.8
360M22.6Very low29.7Very low176 Ų176130.4 Ų130.487%0.86779%0.787SS**  trans-86176175.7-60.7-91.3-76.800109.3
361P35.8Very low29.9Very low102 Ų102130.5 Ų130.566%0.66279%0.789SS**  cis-147.3-171.717.338.7-14.6000117.8
362T25.3Very low30.1Very low127 Ų127130.1 Ų130.178%0.77979%0.789SS**  trans63.3123.4148.243.80000123.7
363S26Very low30.3Very low108 Ų108129.4 Ų129.476%0.75579%0.785SS**  78.1121.7125.5-147.30000123.1
364D25.2Very low30.6Very low150 Ų150131.8 Ų131.880%0.80279%0.788SS**  trans64.7168.9146.8-120.6-59.5000122.7
365S27.5Very low31.4Very low101 Ų101133.7 Ų133.771%0.70679%0.788SS**  trans-79.9158-174.4-49.70000112.4
366P36.4Very low31.5Very low126 Ų126131.9 Ų131.982%0.81878%0.783SS**  -152.9-176.9110.338.8-21.6000116.5
367S28.8Very low31.7Very low116 Ų116134.3 Ų134.381%0.81178%0.782SS**  trans-150.2166.8162.2-67.50000107.7
368P41.5Very low31.8Very low117 Ų117133.4 Ų133.476%0.7678%0.783SS**  cis-126-176.9-26.940.3-25.2000112.4
369P39.1Very low31.8Very low116 Ų116132.4 Ų132.475%0.75379%0.786SS**  trans-111.8-175.4168.242.3-33.6000112.2
370P45.8Very low32.7Very low132 Ų132129.1 Ų129.186%0.85778%0.78SS**  cis-127.8172.8-7.939.8-24.8000115.1
371G28.7Very low33Very low78 Ų78128.2 Ų128.280%0.80478%0.777SS**  trans-161.1129.3168.600000113.5
372L30Very low32.6Very low168 Ų168128.7 Ų128.788%0.8878%0.783SS**  trans-92.2131.7-169.1-75.3158.7000114
373T32.2Very low32.7Very low124 Ų124130.5 Ų130.576%0.76178%0.784SS**  151.6112.5110.353.10000116.1
374K33.5Very low32.9Very low206 Ų206130.3 Ų130.390%0.89678%0.783SS**  trans64.6160.3134.5-80.4-179.8176175.20120.6
375P44.3Very low33Very low107 Ų107129.5 Ų129.570%0.69578%0.779SS**  trans-130178.8-13443.4-29.8000116.2
376I27.8Very low33.4Very low150 Ų150131.7 Ų131.777%0.76978%0.781SS**  176.7127.5128.2-94.7161.3000114.4
377L31.1Very low33Very low147 Ų147130.7 Ų130.777%0.7778%0.777SS**  trans43.8126.7145.5-56.8177.5000125.7
378V30.9Very low33.1Very low132 Ų132129.4 Ų129.480%0.877%0.774SS**  87.3153.1128.61730000120.7
379V27.6Very low32.6Very low126 Ų126135.6 Ų135.676%0.76478%0.782SS**  trans-155.9159.1-158.4166.40000106.2
380P46.4Very low32.2Very low102 Ų102135.9 Ų135.966%0.66279%0.787SS**  cis-134.8-179.47.422.44.3000117.8
381I28.9Very low32.3Very low158 Ų158134.7 Ų134.781%0.8178%0.78SS**  trans60.3118.7147.9-67.6154.8000120.2
382S27Very low32.5Very low112 Ų112140.1 Ų140.178%0.78378%0.781SS**  177.5167.7102.9-1520000115.5
383M28.1Very low32.5Very low164 Ų164140.4 Ų140.481%0.80878%0.778SS**  trans-52.6169.1-170.4-60.3-68.1-168.200121.2
384S29.4Very low32.4Very low104 Ų104138.3 Ų138.373%0.72778%0.781SS**  trans71.4145.3157.1-71.80000118.2
385D28.5Very low32.2Very low134 Ų134133.3 Ų133.372%0.71778%0.779SS**  cis-169.1179.1-16.2-113.4-61.4000107.7
386L34.9Very low31.4Very low146 Ų146133.1 Ų133.176%0.76479%0.786SS**  cis-158.8-179.87.8-134.3-174.7000109.2
387S28.6Very low31.6Very low105 Ų105130.8 Ų130.873%0.73479%0.789SS**  trans81.5132.7157.4-56.50000120.1
388A31.1Very low31.4Very low90 Ų90132.3 Ų132.374%0.74479%0.792SS**  cis-159.9140.3-13.300000114.1
389R31.4Very low31.4Very low246 Ų246130.9 Ų130.993%0.92879%0.788SS**  trans48.3119.7152.1-77.8-175.4159.9-171.2-6.1122.3
390S29.9Very low31.4Very low123 Ų123133.4 Ų133.486%0.8679%0.791SS**  -152.9137.1125.7-169.70000110.1
391P47.7Very low31.3Very low107 Ų107133.1 Ų133.170%0.69579%0.792SS**  trans-126146.7-172.240-26.8000118.1
392F32.3Very low31.5Very low192 Ų192132.7 Ų132.784%0.84279%0.79SS**  trans76.7147.4147.1-104.5-86.8000124
393E31.4Very low31.7Very low173 Ų173135.5 Ų135.581%0.80879%0.789SS**  trans-72158.4178.6-62151.770.200114.2
394G29.9Very low32Very low80 Ų80132.2 Ų132.283%0.82578%0.782SS**  trans177.9114.6168.700000114.5
395A28.9Very low31.9Very low102 Ų102133.1 Ų133.184%0.84378%0.779SS**  trans-69.4159.5-167.600000118.7
396A27.9Very low31.8Very low102 Ų102134.2 Ų134.284%0.84379%0.785SS**  trans76.1175.5144.800000120.7
397A32.3Very low32.1Very low101 Ų101130.8 Ų130.884%0.83577%0.773SS**  trans85.9149.3176.200000119.4
398E26.8Very low32.2Very low179 Ų179132.7 Ų132.784%0.83678%0.775SS**  trans-80.7177.3-160.8-61.8155.657.100116.6
399S29.9Very low32.4Very low103 Ų103135.6 Ų135.672%0.7277%0.771SS**  trans89.7123.7138.575.90000121.8
400Q28.3Very low32.5Very low178 Ų178134 Ų13483%0.83277%0.765SS**  trans48.3102.3134.9-55.8-167.832.200121.9
401S43.6Very low33Very low96 Ų96136.8 Ų136.867%0.67176%0.764SS**  12.9118124.4179.10000119.7
402L33.2Very low33.3Very low149 Ų149138.1 Ų138.178%0.7877%0.772SS**  trans-136.6124.7154.9-59174000106.4
403F31.3Very low33Very low172 Ų172136.1 Ų136.175%0.75477%0.771SS**  68.7140.674.4-60-37.9000113.7
404S33.8Very low34Very low95 Ų95132.1 Ų132.166%0.66476%0.76SS**  cis-168.2-175.3-2.9-112.80000113.1
405D28.1Very low33.9Very low122 Ų122136.1 Ų136.165%0.65276%0.761SS**  trans85.4119.8148.7-91.5-65.3000121.9S407D405-S407 VanDerWaalsContact OD1-CB 3.27Å; D405-S407 WeakPolarHBondContact OD1-CB 3.32Å; D405-S407 PolarHBondContact OD1-N 3.03Å; D405-S407 PolarHBondContact OD1-OG 3.44Å
406N27.1Very low34.9Very low158 Ų158136.5 Ų136.585%0.84576%0.755SS**  -137.8140.491-166.8-3.9000109.7
407S40.7Very low34.9Very low74 Ų74136.9 Ų136.952%0.51776%0.759SS.*  trans-146.6149.6-170.162.30000112.9D405D405-S407 VanDerWaalsContact OD1-CB 3.27Å; D405-S407 WeakPolarHBondContact OD1-CB 3.32Å; D405-S407 PolarHBondContact OD1-N 3.03Å; D405-S407 PolarHBondContact OD1-OG 3.44Å
408N31.2Very low34.6Very low144 Ų144135.7 Ų135.777%0.7776%0.756SS**  trans-161137.7174-100.5-91000110.9
409F33.8Very low34.6Very low152 Ų152135.1 Ų135.167%0.66776%0.758SS**  cis-163.6123.4-21.2-146.9-109.8000110.9
410R34.8Very low35.7Very low211 Ų211135.7 Ų135.780%0.79676%0.759SS**  trans57.2139.5156.1-63-175.5-178.3-84.5-6.6123.9
411H39.5Very low36.7Very low182 Ų182132.3 Ų132.384%0.84375%0.752SS**  trans-105.8171.1156.1-73.7-90000111.4
412P54.4Low36Very low135 Ų135137 Ų13788%0.87776%0.761SS**  -140.9-175.1118.236.1-20.4000116.1
413N26.8Very low36.9Very low150 Ų150135 Ų13580%0.80276%0.757SS**  trans-110.7-166.7-168.1-147.47.7000110.8
414P50.8Low37Very low90 Ų90131.8 Ų131.858%0.58476%0.756SS**  cis-133.6157-31.620.83000117.4
415L28Very low37.1Very low164 Ų164132.5 Ų132.586%0.85976%0.76SS**  trans59.9168.7145.9-61.2173.7000121.5
416P50.8Low37.4Very low110 Ų110131.6 Ų131.671%0.71476%0.764SS**  cis-138.3172.5-49.940.8-24.8000116.9
417A28.5Very low37.7Very low110 Ų110135.4 Ų135.491%0.90977%0.767SS**  trans75.5139.4154.200000123
418G25.2Very low37.1Very low75 Ų75135 Ų13577%0.77377%0.774SS**  trans160.2148.9170.200000115.4
419L27.3Very low37Very low168 Ų168133.6 Ų133.688%0.8878%0.775SS**  trans-132-167.5178.1-68.3173.7000110.4
420P53.6Low37.3Very low114 Ų114130.4 Ų130.474%0.7477%0.772SS**  -115-142.8-82.542.6-25.8000109.8
421P49Very low37.3Very low107 Ų107126.7 Ų126.770%0.69577%0.768SS**  cis-133.3-178.8-21.140.6-21.8000116.5
422F28.3Very low36.8Very low195 Ų195127.2 Ų127.286%0.85576%0.762SS**  trans-5.9170.7147.1-66.2-65.4000122.5
423P51.2Low37Very low108 Ų108126 Ų12670%0.70176%0.755SS**  cis-151.517826.543.7-22.3000121.7
424S34.4Very low37.1Very low104 Ų104126.8 Ų126.873%0.72776%0.755SS**  trans73.7152141.268.10000120.2
425S36Very low36.2Very low109 Ų109127.4 Ų127.476%0.76276%0.758SS**  cis-168.9168.1-3.5-108.40000109.2
426S34.4Very low37.1Very low104 Ų104125.7 Ų125.773%0.72776%0.756SS**  cis-174-175.5-14.455.80000109.9
427R32.4Very low36.3Very low238 Ų238128.6 Ų128.690%0.89876%0.76SS**  trans74.4123.1168.5-167.3-168.7-61-1500.5116.2
428G28Very low37.8Very low65 Ų65127.9 Ų127.967%0.6775%0.747SS**  cis108.7140.4-16.900000117.9
429S29.7Very low38Very low114 Ų114132.2 Ų132.280%0.79775%0.747SS**  trans77.9141.1162.4-90.10000120.9
430S40.4Very low37.9Very low86 Ų86131.6 Ų131.660%0.60174%0.743SS**  cis-153.1173.311.6-118.20000111.9
431D34.6Very low36.9Very low133 Ų133133.4 Ų133.471%0.71175%0.746SS**  cis-145.9-153.213.2-147.3-93.5000113.9
432W28.7Very low35.9Very low192 Ų192137.6 Ų137.673%0.72775%0.753SS**  trans-105.9-177.2-174-68.191000111.8T435W432-T435 HydrophobicContact CZ3-CG2 4.49Å
433P58.6Low35.9Very low110 Ų110134 Ų13471%0.71475%0.747SS**  cis-126.6-168.82.447.2-31.5000112.8
434M28.7Very low35Very low166 Ų166133.9 Ų133.982%0.81875%0.749SS**  cis-147.8-171.15.4-149.2152.4-17300112.2
435T32.5Very low34.7Very low104 Ų104135.1 Ų135.164%0.63875%0.748SS**  trans-150.6179.2-166.242.60000108.6W432W432-T435 HydrophobicContact CZ3-CG2 4.49Å
436P47.8Very low34.5Very low127 Ų127135.5 Ų135.583%0.82575%0.746SS**  cis-145.7-175.823.743.4-20.9000120
437E33.2Very low34.9Very low171 Ų171138 Ų13880%0.79975%0.749SS**  trans-93.3-161.3-179.8-124.1-15896.700111.9
438P60.4Low35.2Very low96 Ų96132.3 Ų132.362%0.62374%0.743SS**  cis-138179.4-1.128.8-3.8000117.6
439Q28.1Very low35.6Very low166 Ų166135.1 Ų135.178%0.77675%0.747SS**  146.6149.9121-72.9-148.3-23.500119.3
440I25.5Very low35.4Very low155 Ų155135.5 Ų135.580%0.79575%0.75SS**  trans87.8134.2159.7-43.9-162.3000120
441L32.2Very low35Very low152 Ų152136.4 Ų136.480%0.79676%0.756SS**  trans-130.9151169.4-79.8164.2000109.4
442F29.2Very low35.3Very low195 Ų195136.1 Ų136.186%0.85576%0.764SS**  171.5151.9128.5-102.1-66.8000116.4
443T28.3Very low35.8Very low118 Ų118133.6 Ų133.672%0.72477%0.77SS**  trans64.7124.4152.950.20000124.1
444S32.2Very low34.9Very low107 Ų107132.3 Ų132.375%0.74876%0.757SS**  trans65.4159.1136.5-77.70000120.6
445D28Very low35.5Very low130 Ų130134.8 Ų134.870%0.69576%0.757SS**  cis-155.4171-7.8-134-92.1000113.3
446T31.9Very low36.3Very low117 Ų117136 Ų13672%0.71876%0.756SS**  trans26138.2152-65.60000124.1
447I41.8Very low36.2Very low157 Ų157134.3 Ų134.381%0.80575%0.753SS**  trans-87.1133.6168.7-72.4168.2000111.4
448P40Very low36.5Very low118 Ų118129.1 Ų129.177%0.76674%0.739SS**  -145.5162112.636.8-20.7000116.5
449V35.2Very low35.6Very low123 Ų123132.2 Ų132.275%0.74574%0.743SS**  trans-78.6138.5179.4169.70000112.5
450S26.8Very low36.2Very low123 Ų123127.9 Ų127.986%0.8674%0.743SS**  trans-168.797.4142.6-83.50000111.5
451S31.1Very low36.8Very low105 Ų105129.3 Ų129.373%0.73474%0.744SS**  trans-134.286.9177.1600000111.4
452S42.3Very low36.9Very low126 Ų126125.3 Ų125.388%0.88174%0.739SS**  trans-123.362.9175.9-67.20000111.2
453T38.8Very low37Very low139 Ų139122.2 Ų122.285%0.85374%0.742SS**  trans-161.1136.9174.1-68.40000106.6
454D39.8Very low37.3Very low83 Ų83121.7 Ų121.744%0.44474%0.743SS.*  cis-159142.7-22.5160.748.8000106.5Q456 A457D454-Q456 VanDerWaalsContact CG-N 3.34Å; D454-Q456 WeakPolarHBondContact OD1-CG 3.3Å; D454-Q456 PolarHBondContact OD1-N 3.39Å; D454-Q456 WeakPolarHBondContact OD2-CB 3.13Å; D454-Q456 PolarHBondContact OD2-N 3.04Å; D454-A457 PolarHBondContact OD2-N 3.5Å
455W40.4Very low37.7Very low218 Ų218122.8 Ų122.883%0.82675%0.75SS**SBendtrans-92.3-11.1-179.5-7288.8000113.6A457 A458W455-A457 PolarHBondContact O-N 3.08Å; W455-A458 PolarHBondContact O-N 3.45Å
456Q48.7Very low38Very low131 Ų131124.6 Ų124.661%0.61275%0.752SS**THydrogen-bonded Turntrans-70.4-21.3-179.7-56.2172.3100112.4D454D454-Q456 VanDerWaalsContact CG-N 3.34Å; D454-Q456 WeakPolarHBondContact OD1-CG 3.3Å; D454-Q456 PolarHBondContact OD1-N 3.39Å; D454-Q456 WeakPolarHBondContact OD2-CB 3.13Å; D454-Q456 PolarHBondContact OD2-N 3.04Å
457A45.9Very low38.4Very low91 Ų91128.8 Ų128.875%0.75276%0.764SS**THydrogen-bonded Turntrans-75.1-18.2175.200000115.2D454 W455D454-A457 PolarHBondContact OD2-N 3.5Å; W455-A457 PolarHBondContact O-N 3.08Å
458A39.1Very low38.1Very low62 Ų62128.4 Ų128.451%0.51276%0.758SS.*THydrogen-bonded Turntrans-89-29.8-177.400000113.5W455W455-A458 PolarHBondContact O-N 3.45Å
459F42.4Very low38Very low160 Ų160130.2 Ų130.270%0.70276%0.762SS**SBendtrans-139.4100.1177.4-61.1-82.4000108.1F461F459-F461 PolarHBondContact O-N 3.42Å
460G41.5Very low38Very low75 Ų75131.7 Ų131.777%0.77377%0.765SS**  trans-68.681.7-16400000115.6
461F38.3Very low39.1Very low185 Ų185132.4 Ų132.481%0.81176%0.76SS**  trans-12080167.3-74.4-78.1000110.1F459F459-F461 PolarHBondContact O-N 3.42Å
462G32.9Very low39.9Very low68 Ų68134.9 Ų134.970%0.70176%0.764SS**  trans-80118.1173.200000111.2S464G462-S464 PolarHBondContact O-N 2.97Å
463S31.7Very low40.1Very low130 Ų130131.4 Ų131.491%0.90975%0.747SS**  trans-72123.2173.8-66.60000111.2
464S33.7Very low40.4Very low108 Ų108133.3 Ų133.376%0.75574%0.744SS**  trans-121.3111.5165.9-174.40000109.5G462 K466G462-S464 PolarHBondContact O-N 2.97Å; S464-K466 VanDerWaalsContact C-N 3.32Å; S464-K466 PolarHBondContact O-N 3.17Å
465S41.8Very low41Very low129 Ų129132.8 Ų132.890%0.90274%0.742SS**  trans-78.679178.859.70000111
466K34.6Very low42.1Very low168 Ų168126.7 Ų126.773%0.7373%0.73SS**  trans-139.1112163.8-163.6179.5-177.2-170.70109.6S464 Q468S464-K466 VanDerWaalsContact C-N 3.32Å; S464-K466 PolarHBondContact O-N 3.17Å; K466-Q468 PolarHBondContact O-N 2.89Å
467Q40.6Very low42.8Very low206 Ų206127.6 Ų127.696%0.96373%0.732SS**  trans-64.4105.9-179.2-174.6175.2-15.600110
468Q34.3Very low43.9Very low148 Ų148127.1 Ų127.169%0.69272%0.717SS**  trans-144.9149.9171.8-172167.4-700105.5K466 D470K466-Q468 PolarHBondContact O-N 2.89Å; Q468-D470 PolarHBondContact O-N 3.48Å
469D39.3Very low45.7Very low157 Ų157128.1 Ų128.184%0.8472%0.716SS**  trans-72.293.8-153.1-50.5-93.2000113.9D471D469-D471 PolarHBondContact O-N 3.23Å
470D35.3Very low47.3Very low153 Ų153124.7 Ų124.782%0.81871%0.709SS**  trans-71.160.6167.6-86.5-47000111Q468 L472Q468-D470 PolarHBondContact O-N 3.48Å; D470-L472 PolarHBondContact O-N 2.68Å
471D48.2Very low49.3Very low139 Ų139128.7 Ų128.774%0.74370%0.701SS**  trans-7674.4170.2-168.88.9000110.5D469 G473D469-D471 PolarHBondContact O-N 3.23Å; D471-G473 PolarHBondContact O-N 3.08Å; D471-G473 VanDerWaalsContact OD1-CA 3.32Å; D471-G473 WeakPolarHBondContact OD1-CA 3.35Å; D471-G473 PolarHBondContact OD1-N 3.29Å
472L47.6Very low51.3Low157 Ų157126.3 Ų126.382%0.82269%0.69SS**  trans-84.932.5161.7-64-179.2000111.1D470 F474D470-L472 PolarHBondContact O-N 2.68Å; L472-F474 PolarHBondContact O-N 2.83Å
473G48.2Very low53.5Low52 Ų52126 Ų12654%0.53668%0.68SS.*  trans-64.978.2164.800000111D471 D475D471-G473 PolarHBondContact O-N 3.08Å; D471-G473 VanDerWaalsContact OD1-CA 3.32Å; D471-G473 WeakPolarHBondContact OD1-CA 3.35Å; D471-G473 PolarHBondContact OD1-N 3.29Å; G473-D475 PolarHBondContact O-N 3.46Å
474F44.1Very low56.1Low179 Ų179124.5 Ų124.579%0.78566%0.662SS**  trans-74.659.9171.4-152.4-82.8000110.4L472 P476 V479L472-F474 PolarHBondContact O-N 2.83Å; F474-P476 WeakPolarHBondContact O-CD 3.4Å; F474-V479 HydrophobicContact CE1-CG2 4.46Å; F474-V479 HydrophobicContact CZ-CG2 4.5Å
475D52.3Low58.2Low73 Ų73121.6 Ų121.639%0.3964%0.644SS.*  trans-73.2117.7174.1-167.6-27.3000108.8G473 F477 D478 V479G473-D475 PolarHBondContact O-N 3.46Å; D475-F477 PolarHBondContact O-N 3.49Å; D475-F477 VanDerWaalsContact O-N 3.09Å; D475-F477 VanDerWaalsContact OD1-CB 3.31Å; D475-F477 WeakPolarHBondContact OD1-CB 3.28Å; D475-F477 PolarHBondContact OD1-N 2.93Å; D475-D478 PolarHBondContact O-N 3.39Å; D475-D478 VanDerWaalsContact O-N 3.13Å; D475-V479 PolarHBondContact O-N 2.97Å
476P63.1Low60.2Low90 Ų90119.6 Ų119.658%0.58462%0.624SS**Hα-helixtrans-56.5-26175.8-23.735000113F474 T480F474-P476 WeakPolarHBondContact O-CD 3.4Å; P476-T480 WeakPolarHBondContact O-CB 3.48Å; P476-T480 PolarHBondContact O-N 3.45Å; P476-T480 PolarHBondContact O-OG1 2.82Å
477F64Low62.4Low149 Ų149116.2 Ų116.265%0.65461%0.613SS**Hα-helixtrans-70.8-35.2178.9-120.7-87.7000113.1D475 T480 R481D475-F477 PolarHBondContact O-N 3.49Å; D475-F477 VanDerWaalsContact O-N 3.09Å; D475-F477 VanDerWaalsContact OD1-CB 3.31Å; D475-F477 WeakPolarHBondContact OD1-CB 3.28Å; D475-F477 PolarHBondContact OD1-N 2.93Å; F477-T480 PolarHBondContact O-N 2.82Å; F477-R481 VanDerWaalsContact O-CB 3.27Å; F477-R481 WeakPolarHBondContact O-CB 3.33Å; F477-R481 PolarHBondContact O-N 3.32Å
478D70.1Confident64.4Low82 Ų82110.7 Ų110.744%0.43959%0.589SS.*Hα-helixtrans-81.7-30.1178.8-77.9-18.8000112.7D475 T480 R481 K482D475-D478 PolarHBondContact O-N 3.39Å; D475-D478 VanDerWaalsContact O-N 3.13Å; D478-T480 VanDerWaalsContact C-N 3.31Å; D478-R481 PolarHBondContact O-N 3.18Å; D478-R481 IonicContact OD1-CZ 3.62Å; D478-R481 IonicContact OD1-NE 2.8Å; D478-R481 PolarHBondContact OD1-NE 3.07Å; D478-R481 IonicContact OD1-NH2 2.85Å; D478-R481 PolarHBondContact OD1-NH2 3.35Å; D478-K482 VanDerWaalsContact O-CB 3.29Å; D478-K482 WeakPolarHBondContact O-CB 3.31Å; D478-K482 PolarHBondContact O-N 2.85Å
479V75.4Confident66.4Low82 Ų82110.3 Ų110.350%0.49759%0.587SS.*Hα-helixtrans-59.5-44.3163.8179.80000110.4F474 D475 A483F474-V479 HydrophobicContact CE1-CG2 4.46Å; F474-V479 HydrophobicContact CZ-CG2 4.5Å; D475-V479 PolarHBondContact O-N 2.97Å; V479-A483 WeakPolarHBondContact O-CB 3.33Å; V479-A483 PolarHBondContact O-N 3.36Å
480T77.4Confident68Low88 Ų88109.9 Ų109.954%0.5458%0.578SS.*Hα-helixtrans-68.7-42.5178-55.50000112.2P476 F477 D478 K482 A483 L484P476-T480 WeakPolarHBondContact O-CB 3.48Å; P476-T480 PolarHBondContact O-N 3.45Å; P476-T480 PolarHBondContact O-OG1 2.82Å; F477-T480 PolarHBondContact O-N 2.82Å; D478-T480 VanDerWaalsContact C-N 3.31Å; T480-K482 VanDerWaalsContact C-N 3.33Å; T480-K482 PolarHBondContact O-N 2.98Å; T480-A483 PolarHBondContact O-N 3.01Å; T480-L484 WeakPolarHBondContact O-CB 3.49Å; T480-L484 PolarHBondContact O-N 3.23Å
481R81.5Confident69.8Low159 Ų159109.1 Ų109.160%0.657%0.57SS**Hα-helixtrans-60.6-43176.8-167.7-160.5-48.9-95.63.1110.9F477 D478 L484 A485F477-R481 VanDerWaalsContact O-CB 3.27Å; F477-R481 WeakPolarHBondContact O-CB 3.33Å; F477-R481 PolarHBondContact O-N 3.32Å; D478-R481 PolarHBondContact O-N 3.18Å; D478-R481 IonicContact OD1-CZ 3.62Å; D478-R481 IonicContact OD1-NE 2.8Å; D478-R481 PolarHBondContact OD1-NE 3.07Å; D478-R481 IonicContact OD1-NH2 2.85Å; D478-R481 PolarHBondContact OD1-NH2 3.35Å; R481-L484 PolarHBondContact O-N 3.3Å; R481-A485 WeakPolarHBondContact O-CB 3.46Å; R481-A485 PolarHBondContact O-N 2.83Å
482K80.9Confident70.6Confident135 Ų135107.8 Ų107.859%0.58756%0.562SS**Hα-helixtrans-68.8-44.5177.1-172.7162.9-175.5168.40112D478 T480 L484 A485 D486D478-K482 VanDerWaalsContact O-CB 3.29Å; D478-K482 WeakPolarHBondContact O-CB 3.31Å; D478-K482 PolarHBondContact O-N 2.85Å; T480-K482 VanDerWaalsContact C-N 3.33Å; T480-K482 PolarHBondContact O-N 2.98Å; K482-L484 PolarHBondContact O-N 3.25Å; K482-A485 PolarHBondContact O-N 3.09Å; K482-A485 VanDerWaalsContact O-N 3.12Å; K482-D486 WeakPolarHBondContact O-CB 3.31Å; K482-D486 VanDerWaalsContact O-CG 3.31Å; K482-D486 PolarHBondContact O-N 3.17Å
483A80.3Confident71Confident61 Ų61104.7 Ų104.750%0.50455%0.553SS.*Hα-helixtrans-59.1-34.5174.400000112.9V479 T480 L487V479-A483 WeakPolarHBondContact O-CB 3.33Å; V479-A483 PolarHBondContact O-N 3.36Å; T480-A483 PolarHBondContact O-N 3.01Å; A483-L487 WeakPolarHBondContact O-CB 3.32Å; A483-L487 PolarHBondContact O-N 3.17Å; A483-L487 VanDerWaalsContact O-N 3.14Å
484L84.5Confident71.4Confident100 Ų100107.6 Ų107.652%0.52456%0.56SS.*Hα-helixtrans-72.7-39.7173.8-177.262.3000112.5T480 R481 K482 L487 I488T480-L484 WeakPolarHBondContact O-CB 3.49Å; T480-L484 PolarHBondContact O-N 3.23Å; R481-L484 PolarHBondContact O-N 3.3Å; K482-L484 PolarHBondContact O-N 3.25Å; L484-L487 PolarHBondContact O-N 2.69Å; L484-I488 HydrophobicContact CD1-CD1 4.27Å; L484-I488 HydrophobicContact CG-CD1 4.08Å; L484-I488 VanDerWaalsContact O-CG1 3.32Å; L484-I488 WeakPolarHBondContact O-CG1 3.27Å; L484-I488 PolarHBondContact O-N 3.14Å
485A78.6Confident71.7Confident46 Ų46107.1 Ų107.138%0.3856%0.56SS.*Hα-helixtrans-64.5-48.7175.100000111.7R481 K482 L487 I488 E489R481-A485 WeakPolarHBondContact O-CB 3.46Å; R481-A485 PolarHBondContact O-N 2.83Å; K482-A485 PolarHBondContact O-N 3.09Å; K482-A485 VanDerWaalsContact O-N 3.12Å; A485-L487 PolarHBondContact O-N 3.02Å; A485-I488 PolarHBondContact O-N 3.14Å; A485-I488 VanDerWaalsContact O-N 3.08Å; A485-E489 PolarHBondContact O-N 3.42Å
486D83.4Confident71.4Confident88 Ų88110.5 Ų110.547%0.47158%0.579SS.*Hα-helixtrans-57.9-33.8175-69.611.7000111.4K482 K490K482-D486 WeakPolarHBondContact O-CB 3.31Å; K482-D486 VanDerWaalsContact O-CG 3.31Å; K482-D486 PolarHBondContact O-N 3.17Å; D486-K490 WeakPolarHBondContact O-CB 3.09Å; D486-K490 PolarHBondContact O-N 3.16Å
487L81.6Confident70.2Confident96 Ų96114.3 Ų114.350%0.50359%0.589SS.*Hα-helixtrans-70.3-43.6174.5-174.866.2000112.1A483 L484 A485 K490 E491A483-L487 WeakPolarHBondContact O-CB 3.32Å; A483-L487 PolarHBondContact O-N 3.17Å; A483-L487 VanDerWaalsContact O-N 3.14Å; L484-L487 PolarHBondContact O-N 2.69Å; A485-L487 PolarHBondContact O-N 3.02Å; L487-K490 PolarHBondContact O-N 2.95Å; L487-E491 WeakPolarHBondContact O-CG 3.29Å; L487-E491 PolarHBondContact O-N 2.93Å
488I81.4Confident68.6Low91 Ų91112.9 Ų112.947%0.46760%0.597SS.*Hα-helixtrans-67.2-43.6179.1-68.8164.6000111.2L484 A485 K490 E491 L492L484-I488 HydrophobicContact CD1-CD1 4.27Å; L484-I488 HydrophobicContact CG-CD1 4.08Å; L484-I488 VanDerWaalsContact O-CG1 3.32Å; L484-I488 WeakPolarHBondContact O-CG1 3.27Å; L484-I488 PolarHBondContact O-N 3.14Å; A485-I488 PolarHBondContact O-N 3.14Å; A485-I488 VanDerWaalsContact O-N 3.08Å; I488-K490 PolarHBondContact O-N 3.2Å; I488-E491 PolarHBondContact O-N 3.48Å; I488-L492 HydrophobicContact CG2-CD1 4.01Å; I488-L492 WeakPolarHBondContact O-CB 3.36Å; I488-L492 VanDerWaalsContact O-CG 3.3Å; I488-L492 WeakPolarHBondContact O-CG 3.47Å; I488-L492 PolarHBondContact O-N 2.8Å
489E76.4Confident67.4Low140 Ų140114.4 Ų114.465%0.65461%0.611SS**Hα-helixtrans-60.9-34.3173.2-72.8-165.8157.900111.7A485 S493A485-E489 PolarHBondContact O-N 3.42Å; E489-S493 WeakPolarHBondContact O-CB 3.4Å; E489-S493 PolarHBondContact O-N 3.44Å
490K74.5Confident65.1Low148 Ų148115.4 Ų115.464%0.64362%0.622SS**Hα-helixtrans-74.3-38179.7-167.8167.7-172.3171.60113.4D486 L487 I488 V494D486-K490 WeakPolarHBondContact O-CB 3.09Å; D486-K490 PolarHBondContact O-N 3.16Å; L487-K490 PolarHBondContact O-N 2.95Å; I488-K490 PolarHBondContact O-N 3.2Å; K490-V494 VanDerWaalsContact O-CG2 3.24Å; K490-V494 WeakPolarHBondContact O-CG2 3.41Å; K490-V494 PolarHBondContact O-N 2.81Å; K490-V494 VanDerWaalsContact O-N 3.14Å
491E72.2Confident62.8Low137 Ų137116.8 Ų116.864%0.6464%0.635SS**Hα-helixtrans-62.2-47.9170.1-72.7-68.711800110.8L487 I488 S493 V494 Q495L487-E491 WeakPolarHBondContact O-CG 3.29Å; L487-E491 PolarHBondContact O-N 2.93Å; I488-E491 PolarHBondContact O-N 3.48Å; E491-S493 PolarHBondContact O-N 3.47Å; E491-V494 PolarHBondContact O-N 3.32Å; E491-Q495 PolarHBondContact O-N 3.13Å
492L64.1Low61.1Low111 Ų111115.1 Ų115.158%0.58165%0.645SS**Hα-helixtrans-61.3-43.2177.3-69.7169.6000112.1I488 V494 Q495I488-L492 HydrophobicContact CG2-CD1 4.01Å; I488-L492 WeakPolarHBondContact O-CB 3.36Å; I488-L492 VanDerWaalsContact O-CG 3.3Å; I488-L492 WeakPolarHBondContact O-CG 3.47Å; I488-L492 PolarHBondContact O-N 2.8Å; L492-V494 VanDerWaalsContact C-N 3.27Å; L492-V494 PolarHBondContact O-N 3.12Å; L492-Q495 PolarHBondContact O-N 3.38Å
493S57.7Low58.6Low91 Ų91112.3 Ų112.364%0.63666%0.655SS**Hα-helixtrans-73.7-12.7-179.7-1740000114.3E489 E491E489-S493 WeakPolarHBondContact O-CB 3.4Å; E489-S493 PolarHBondContact O-N 3.44Å; E491-S493 PolarHBondContact O-N 3.47Å
494V54.8Low57Low113 Ų113115.2 Ų115.269%0.68567%0.668SS**Hα-helixtrans-84.8-21.4172.1164.10000111.6K490 E491 L492K490-V494 VanDerWaalsContact O-CG2 3.24Å; K490-V494 WeakPolarHBondContact O-CG2 3.41Å; K490-V494 PolarHBondContact O-N 2.81Å; K490-V494 VanDerWaalsContact O-N 3.14Å; E491-V494 PolarHBondContact O-N 3.32Å; L492-V494 VanDerWaalsContact C-N 3.27Å; L492-V494 PolarHBondContact O-N 3.12Å
495Q52.2Low54.5Low169 Ų169119.1 Ų119.179%0.7969%0.689SS**THydrogen-bonded Turntrans-84.8-9.4-172-151.8160.967.300114.5E491 L492E491-Q495 PolarHBondContact O-N 3.13Å; L492-Q495 PolarHBondContact O-N 3.38Å
496D45.7Very low52.3Low145 Ų145121.1 Ų121.178%0.77571%0.706SS**THydrogen-bonded Turntrans-100.526.8-173-161.5-131.1000115.1
497Q37Very low50.5Low169 Ų169123.3 Ų123.379%0.7972%0.724SS**  trans-136.2122.9174.1-73.2-166.854.200116
498S29.9Very low48Very low120 Ų120122.3 Ų122.384%0.83974%0.738SS**  trans86.6159158.992.30000117.1
499P46.3Very low45.6Very low113 Ų113124.3 Ų124.373%0.73476%0.759SS**  -142.1179.1-106.935.5-12.7000119
500S26.5Very low43.4Very low104 Ų104120.7 Ų120.773%0.72776%0.76SS**  trans94.5107.2147.872.60000123.4
501S28.6Very low41.5Very low116 Ų116122.2 Ų122.281%0.81177%0.769SS**  64.8163.1121.2-51.90000123
502P45.6Very low39.8Very low125 Ų125121.7 Ų121.781%0.81278%0.775SS**  -142.9155-55.440.8-24.1000117.1
503G30.1Very low38.9Very low76 Ų76122 Ų12278%0.78478%0.784SS**  trans84.9173.2153.800000118.6
504P45.9Very low37.6Very low122 Ų122121.1 Ų121.179%0.79279%0.789SS**  cis-128.9160.45.241.5-27.6000116.5
505L31.1Very low36.6Very low181 Ų181123.4 Ų123.495%0.94880%0.797SS**  175.8169.3127.5-92.3173.4000110.4
506A34Very low36.5Very low89 Ų89120.7 Ų120.774%0.73679%0.794SS**  trans-132.9-178.2-158.900000112.2
507P45.7Very low37Very low133 Ų133118.7 Ų118.786%0.86479%0.789SS**  cis-135.4170.92.342.2-25.2000117
508G28.9Very low36.6Very low76 Ų76115.9 Ų115.978%0.78479%0.788SS**  trans-169.3114.9170.500000114
509S30.8Very low36.6Very low132 Ų132117 Ų11792%0.92378%0.784SS**  trans-41.1145.7-171.3-51.80000120.6
510G30.7Very low35.7Very low64 Ų64118 Ų11866%0.6678%0.783SS**  trans141.8103.5138.900000119.3
511H33Very low35.7Very low180 Ų180117.8 Ų117.883%0.83378%0.782SS**  trans15.8143.8141.4-48.5-75.5000120.9
512T38.1Very low35.7Very low127 Ų127118.1 Ų118.178%0.77978%0.779SS**  cis-164.9169.60.4120000109
513P45.4Very low35Very low117 Ų117116.2 Ų116.276%0.7677%0.768SS**  trans-100165.1-153.638.8-38.8000117.9
514G28.9Very low35.2Very low73 Ų73120.6 Ų120.675%0.75377%0.768SS**  trans-150.9129.3159.200000110.6
515L33.6Very low34.3Very low160 Ų160123.2 Ų123.284%0.83877%0.769SS**  trans-119.1-166.9-175.6-62.2170.8000110.3
516P50Low34.2Very low113 Ų113124 Ų12473%0.73477%0.766SS**  -132-135-10742.8-20000109.8
517P57Low35Very low102 Ų102125.9 Ų125.966%0.66277%0.77SS**  cis-127.9-164.5-33.737.5-19.6000112.8
518S29.1Very low34.1Very low111 Ų111123.2 Ų123.278%0.77677%0.767SS**  trans75.2157.1144.468.90000120.9
519N28.5Very low34Very low143 Ų143123.6 Ų123.677%0.76577%0.77SS**  cis-166.6170-39.3-155.9-2.7000109.6
520L27.4Very low34.1Very low134 Ų134125.2 Ų125.270%0.70277%0.768SS**  trans66.1116.1162.4-95.869.2000121.6
521S26.8Very low34.8Very low100 Ų100127.5 Ų127.570%0.69977%0.771SS**  59.5121.7113.8-56.90000124.8
522T29.6Very low34.8Very low123 Ų123129.4 Ų129.476%0.75577%0.771SS**  77.992.1125.8-50.90000121.6
523S29.8Very low34.2Very low84 Ų84128.9 Ų128.959%0.58777%0.767SS**  65.5118.5121.9-50.80000124
524H34.2Very low33.4Very low168 Ų168131.6 Ų131.678%0.77877%0.77SS**  trans71.7160.3159.5-48.9-52.9000115.8
525H27.9Very low34Very low177 Ų177133.3 Ų133.382%0.81977%0.767SS**  cis-144.2177.125.2-47.7-97.1000114.2
526F28.6Very low34.2Very low199 Ų199133 Ų13387%0.87377%0.766SS**  trans-85.3-177.1173.9-98.7-108.7000111.8
527P51.2Low33.2Very low128 Ų128135.8 Ų135.883%0.83177%0.769SS**  cis-141.2175.314.543.2-24.9000118.9
528G26.7Very low31.8Very low77 Ų77138.1 Ų138.179%0.79477%0.77SS**  trans142.4105.8145.300000117.5
529G27.6Very low31.7Very low83 Ų83144.1 Ų144.186%0.85678%0.776SS**  trans141.4110.3166.200000115.9
530L32.5Very low31.5Very low167 Ų167141.6 Ų141.687%0.87478%0.775SS**  trans-88.6161.7166.9-93.1170.1000109.7
531P44.6Very low31.5Very low112 Ų112144.5 Ų144.573%0.72778%0.782SS**  cis-149.1158.540.742.7-22.5000120.4
532R32.4Very low31.4Very low219 Ų219150.6 Ų150.683%0.82679%0.792SS**  trans66.8124.3132.7-179.6179.1-164.2152.45.8120.1
533V27.3Very low31.3Very low116 Ų116149.6 Ų149.670%0.70379%0.79SS**  cis-161.4136.9-11.1-97.90000112.5
534H28.1Very low31.1Very low175 Ų175151.5 Ų151.581%0.8180%0.803SS**  trans68.1152.2135.9-79.9-113.1000123.6
535P42Very low30.7Very low109 Ų109153.3 Ų153.371%0.70881%0.809SS**  trans-145.7-160.6-131.845.8-23.8000117
536L36.5Very low30.6Very low154 Ų154150.7 Ų150.781%0.80681%0.81SS**  trans-51160.3170.7-58.3153.9000115.9
537H30.3Very low30.8Very low170 Ų170150.9 Ų150.979%0.78781%0.811SS**  -168.9132.6124.3-118.4-116.2000117.1
538H26.8Very low29.9Very low151 Ų151150.9 Ų150.970%0.69981%0.811SS**  trans16.5127.5147.6-68.3-95.5000125.7
539R27.1Very low29.8Very low238 Ų238150.8 Ų150.890%0.89881%0.81SS**  64.7125.8120.4-165.6-177.3-169166.24.7121.4
540A24Very low29.8Very low90 Ų90150 Ų15074%0.74480%0.802SS**  trans146.6166.3136.100000113.9
541F27Very low29.6Very low194 Ų194151 Ų15185%0.85180%0.802SS**  trans-53.1146.8-177.1-56.5-99.5000115.8
542Y25.8Very low28.7Very low229 Ų229152 Ų15290%0.89880%0.801SS**  -175.6164.8102.8-114.7-88.8000113
543S26.8Very low28.6Very low102 Ų102145.4 Ų145.471%0.71379%0.788SS**  trans-87148.2175.5-43.40000112.7
544S25Very low28.8Very low124 Ų124148.2 Ų148.287%0.86779%0.794SS**  trans179.6160.5136-84.20000113.8
545F27.2Very low28.9Very low205 Ų205144.3 Ų144.390%0.89979%0.792SS**  trans-80.4150.2178.4-69.2-108.2000113
546S25.3Very low28.3Very low122 Ų122142.3 Ų142.385%0.85379%0.791SS**  -180142125.9-79.70000113.4
547F33.1Very low28.1Very low204 Ų204143.3 Ų143.390%0.89579%0.792SS**  trans-85.9152.2161-80.4-89.8000109.1
548P32.1Very low28.3Very low128 Ų128142.5 Ų142.583%0.83179%0.788SS**  -138.1-177.462.532.5-11.2000113.8
549G24.3Very low28.6Very low75 Ų75143 Ų14377%0.77379%0.791SS**  cis140.8130.5-8.100000114
550G27.6Very low29Very low65 Ų65138.3 Ų138.367%0.6778%0.779SS**  trans107.9139.5158.900000118.8
551H29.1Very low29.5Very low189 Ų189140.2 Ų140.288%0.87577%0.773SS**  trans68.7148.9157.695.4-82.3000118.9
552N25.7Very low29.8Very low134 Ų134138.2 Ų138.272%0.71777%0.766SS**  cis-158.5162.4-9.7-149.91.9000112.5
553S30Very low30Very low79 Ų79136 Ų13655%0.55276%0.764SS**  trans62.4171.6151.9-650000119.1
554Q31.8Very low29.9Very low175 Ų175139 Ų13982%0.81877%0.771SS**  cis-168.3166.4-31.2-98.8166.1-103.600107.5
555A29.3Very low31.1Very low94 Ų94138.4 Ų138.478%0.77776%0.764SS**  cis-174.9135.5-37.300000110.4
556G28.6Very low31.1Very low67 Ų67132.8 Ų132.869%0.69176%0.756SS**  trans-171.8127.7172.800000109.3
557Q34Very low31.2Very low175 Ų175133 Ų13382%0.81875%0.752SS**  cis69.4135.949-59.7-166.717.700113.8
558Q33.7Very low30.9Very low153 Ų153134.3 Ų134.372%0.71575%0.751SS**  cis-158.2150.5-13.1-10717621.300106.9
559Q33.4Very low30.9Very low162 Ų162136.9 Ų136.976%0.75775%0.751SS**  173.8137.7100.9-96.3-170.3-62.600107.8
560Q35.5Very low31.6Very low138 Ų138138.6 Ų138.665%0.64575%0.749SS**  80.9125.769.4-165.817217.200112.5
561Q34.8Very low31.7Very low131 Ų131146.8 Ų146.861%0.61276%0.76SS**  cis-154.2155.7-1.3-135.8169.5-44.100113.8
562Q32.6Very low32Very low151 Ų151145.4 Ų145.471%0.70676%0.756SS**  trans11.6147.5142.5-62.5155.89.300119.7
563Q29.6Very low32Very low184 Ų184142.3 Ų142.386%0.8676%0.755SS**  -154165.363.4-81.4176.4-0.600116.6
564L26Very low32.1Very low163 Ų163146 Ų14685%0.85377%0.767SS**  trans-124.7-168-179.9-88141.8000107.3
565P48.9Very low32.7Very low113 Ų113143.2 Ų143.273%0.73476%0.764SS**  cis-144.2166.47.241.7-21.9000119.3
566A27.8Very low32.6Very low87 Ų87145.2 Ų145.272%0.71977%0.767SS**  trans63.6166.5143.300000120.4
567T27.4Very low32.7Very low125 Ų125152 Ų15277%0.76777%0.772SS**  cis-158.2163.212.4-24.70000113.3
568R27.6Very low32.4Very low232 Ų232150.7 Ų150.788%0.87577%0.77SS**  trans78.4142.8154.7-68.4-172.5177.7-163.4-1.6122.2
569H32.2Very low32.1Very low183 Ų183148.7 Ų148.785%0.84777%0.765SS**  trans-99.5165.3154.6-41.8-85.3000109
570P38.8Very low31.9Very low111 Ų111149 Ų14972%0.72177%0.77SS**  -159.915970.240.5-17.9000120.8
571W28.8Very low31.5Very low236 Ų236146.5 Ų146.589%0.89477%0.773SS**  trans62.8129.8137.7-73.853000126.1
572M34.8Very low31.2Very low161 Ų161148.4 Ų148.479%0.79378%0.782SS**  trans67.2133.6140.2-70-72.5-85.500124
573G26.6Very low31.2Very low68 Ų68147 Ų14770%0.70178%0.778SS**  trans175.1137.8164.900000114.4
574I32.2Very low31Very low156 Ų156144 Ų14480%0.877%0.768SS**  trans-164.8168.8-178.132.1169.1000108.4
575P43.8Very low31.2Very low118 Ų118144.2 Ų144.277%0.76677%0.765SS**  cis-117.2-146.511.526.10.6000111.3
576T28.1Very low30Very low136 Ų136143.3 Ų143.383%0.83476%0.761SS**  cis-138.6-148.426.865.20000114.5
577R30.5Very low30Very low210 Ų210144 Ų14479%0.79277%0.767SS**  trans-172.5130-144.8172.3-169.7-179.2-137.67.8114.5
578N27.5Very low29.8Very low146 Ų146143.9 Ų143.978%0.78177%0.771SS**  trans-162.1142.5154.4-92.2-21.7000108
579N26.2Very low29.7Very low112 Ų112137.2 Ų137.260%0.59977%0.765SS**  cis73.6132.642.2-65.7-39.1000113.2
580L29.8Very low29.4Very low168 Ų168132.9 Ų132.988%0.8876%0.762SS**  cis-147.4-170.63.8-159.658.9000110.7
581A27.5Very low28.9Very low85 Ų85132.3 Ų132.370%0.70276%0.76SS**  trans-117.5-162.4-169.400000114.8
582H28.4Very low28.9Very low172 Ų172130.3 Ų130.380%0.79676%0.76SS**  trans81.9147.8173.2-81.1-161.6000117.3
583L31.8Very low28.6Very low120 Ų120127.2 Ų127.263%0.62876%0.755SS**  cis-158.1159.44.9-118.3161.6000113.9
584N25.4Very low28.7Very low121 Ų121131.5 Ų131.565%0.64776%0.761SS**  trans57.1138.9148.5-83.6-8.9000124.3
585H30.3Very low28.5Very low168 Ų168131 Ų13178%0.77876%0.759SS**  151151.5118.1-82.8-68.5000110.8
586S25.1Very low27.8Very low95 Ų95134.1 Ų134.166%0.66477%0.768SS**  cis176.793.3-47.348.40000107.9
587A26.3Very low27.8Very low102 Ų102133.7 Ų133.784%0.84376%0.761SS**  trans56.5114.7149.600000123.4
588S24.1Very low27.7Very low122 Ų122132.2 Ų132.285%0.85377%0.768SS**  90.7142.1118.3-153.20000123.8
589A25.7Very low27.7Very low91 Ų91131.7 Ų131.775%0.75277%0.765SS**  trans100.1148.114300000122
590A26.1Very low27.6Very low93 Ų93133.8 Ų133.877%0.76978%0.775SS**  trans63.613017800000117
591S28.6Very low27.9Very low99 Ų99131.3 Ų131.369%0.69277%0.769SS**  cis99.5133.413.7-560000116.7
592H27.6Very low28.7Very low194 Ų194133.2 Ų133.290%0.89877%0.774SS**  trans106.1141162-58.8-69.7000118.7
593S28.9Very low28.7Very low96 Ų96134.1 Ų134.167%0.67178%0.779SS**  trans-148.3138.6-169.555.30000110.5
594N28.8Very low28.5Very low157 Ų157136.1 Ų136.184%0.8479%0.785SS**  trans-172.2125.1158.6-81.8-35000104.1
595I27.9Very low28.5Very low147 Ų147136.2 Ų136.275%0.75479%0.785SS**  cis69.2110.439.7-51.2-178000113
596L30.2Very low28.6Very low182 Ų182134.4 Ų134.495%0.95379%0.786SS**  trans-134155.1157.6-81.1173.4000107.4
597D27.3Very low28.7Very low128 Ų128133 Ų13368%0.68479%0.786SS**  trans-125.8144.4-167.8-175.2-6.7000110.3
598L27.8Very low29Very low179 Ų179136.9 Ų136.994%0.93779%0.792SS**  trans-160.9155.8147-133.571.7000111.8
599N27.1Very low29.2Very low135 Ų135135.2 Ų135.272%0.72279%0.794SS**  trans-148.6146.8-152.7-170.8-15.4000112.6
600L25.9Very low29.3Very low156 Ų156134.5 Ų134.582%0.81780%0.796SS**  trans-180166.1163.1-120.474.7000108
601P35Very low29.5Very low116 Ų116137.7 Ų137.775%0.75380%0.798SS**  cis-134.6-137.930.543.9-20.2000114.1
602P44.3Very low29.7Very low124 Ų124138.8 Ų138.881%0.80580%0.803SS**  -129.6-169.9-127.935.9-10.3000118.6
603Q28.9Very low30Very low191 Ų191137 Ų13789%0.89380%0.798SS**  trans-76.4152.6-166.9-68.3-82.7-15.800118.3
604H27Very low30Very low162 Ų162138.4 Ų138.475%0.7581%0.808SS**  trans174.2120.1142.4158.5-94.4000113.9
605N26.1Very low30Very low124 Ų124140.3 Ų140.366%0.66381%0.812SS**  174.1152.4110.5-153.8-5.4000114
606T31.6Very low30Very low129 Ų129140.3 Ų140.379%0.79181%0.814SS**  trans-87171.2169.336.20000113
607G27.5Very low29.9Very low65 Ų65136.2 Ų136.267%0.6780%0.8SS**  cis151.8135.3-7.700000114.7
608L33.3Very low29.7Very low185 Ų185135.4 Ų135.497%0.96981%0.805SS**  trans81.5132.8164.2-56.4175.4000122.4
609G28.4Very low29.8Very low87 Ų87132.7 Ų132.790%0.89780%0.8SS**  trans88.9138.7155.900000117.3
610G27.9Very low30.1Very low76 Ų76134.2 Ų134.278%0.78481%0.807SS**  cis-179.6149.6-6.600000111
611I29.3Very low30.7Very low160 Ų160134.1 Ų134.182%0.82181%0.807SS**  trans-81.6152-174.5-12.3176.4000112.5
612P33.8Very low30.8Very low121 Ų121132.1 Ų132.179%0.78681%0.807SS**  -133.6158.3113.138.6-31.5000114.5
613I33.9Very low31Very low156 Ų156134 Ų13480%0.881%0.81SS**  trans-82.2145.7177.847.5171.8000112.8
614S28.2Very low32.6Very low127 Ų127129.1 Ų129.189%0.88879%0.79SS**  trans-154145.3156.4-77.20000108.7
615E29.6Very low34.6Very low196 Ų196125 Ų12592%0.91678%0.776SS**  trans-94.6141.9-164-58.2156.3118.100111.8
616N26.9Very low36.6Very low147 Ų147125.9 Ų125.979%0.78677%0.774SS**  179.9119.7118.1-164.615.5000113.4
617S27.4Very low38.5Very low97 Ų97126.1 Ų126.168%0.67877%0.766SS**  trans46.9125.2149.8-60.30000124.3
618S24.8Very low40.7Very low111 Ų111132.1 Ų132.178%0.77677%0.769SS**  trans95.5130.6136.873.80000121.6
619S28.4Very low42.6Very low121 Ų121124.1 Ų124.185%0.84673%0.726SS**  trans60.6102.5156.6-56.30000119.8
620I34.4Very low44.5Very low167 Ų167123.6 Ų123.686%0.85670%0.703SS**  trans-109.8132.4155140.1172.3000107.2
621D37.2Very low46.8Very low155 Ų155121.8 Ų121.883%0.82968%0.684SS**PPolyproline II helixtrans-67.5141.9177.3-79-70.1000112.9
622G36.9Very low48.9Very low73 Ų73117 Ų11775%0.75366%0.66SS**PPolyproline II helixtrans-72.9126.9178.600000112N624G622-N624 PolarHBondContact O-N 2.99Å
623L48.8Very low50.8Low165 Ų165114.3 Ų114.386%0.86463%0.634SS**PPolyproline II helixtrans-53.1119.9175.3-67.6170.6000111.1V625L623-V625 VanDerWaalsContact C-N 3.3Å; L623-V625 PolarHBondContact O-N 3.35Å
624N62.3Low52.5Low88 Ų88110.9 Ų110.947%0.47163%0.629SS.*  trans-76.378-175.8-169.90.8000112.1G622 K626 E627G622-N624 PolarHBondContact O-N 2.99Å; N624-K626 PolarHBondContact O-N 3.35Å; N624-K626 VanDerWaalsContact O-N 3.08Å; N624-K626 WeakPolarHBondContact OD1-CB 3.5Å; N624-K626 PolarHBondContact OD1-N 2.96Å; N624-E627 HydrophobicContact CB-CB 4.32Å; N624-E627 PolarHBondContact ND2-OE2 3.44Å; N624-E627 PolarHBondContact O-N 3.13Å; N624-E627 VanDerWaalsContact O-N 3.17Å; N624-E627 PolarHBondContact OD1-N 2.91Å
625V70.4Confident54.6Low74 Ų74111.2 Ų111.245%0.44862%0.62SS.*Hα-helixtrans-55.2-26.3177.7172.80000112.5L623 W628 Q629 F643L623-V625 VanDerWaalsContact C-N 3.3Å; L623-V625 PolarHBondContact O-N 3.35Å; V625-W628 PolarHBondContact O-N 3.32Å; V625-Q629 WeakPolarHBondContact O-CG 3.3Å; V625-Q629 PolarHBondContact O-N 2.85Å; V625-F643 HydrophobicContact CG1-CB 4.26Å; V625-F643 HydrophobicContact CG1-CD2 3.92Å; V625-F643 HydrophobicContact CG1-CG 4.46Å
626K67Low56.5Low144 Ų144105.8 Ų105.863%0.62660%0.597SS**Hα-helixtrans-69.3-42180-169.7176.7179.4-1790112.2N624 W628 Q629 D630N624-K626 PolarHBondContact O-N 3.35Å; N624-K626 VanDerWaalsContact O-N 3.08Å; N624-K626 WeakPolarHBondContact OD1-CB 3.5Å; N624-K626 PolarHBondContact OD1-N 2.96Å; K626-W628 VanDerWaalsContact C-N 3.31Å; K626-W628 PolarHBondContact O-N 3.43Å; K626-Q629 WeakPolarHBondContact O-CB 3.32Å; K626-Q629 PolarHBondContact O-N 2.96Å; K626-D630 PolarHBondContact O-N 2.96Å
627E73Confident58.1Low133 Ų133104.1 Ų104.162%0.62159%0.594SS**Hα-helixtrans-62.6-39.1176.4-173.2171.6-179.300111.7N624 D630 G631N624-E627 HydrophobicContact CB-CB 4.32Å; N624-E627 PolarHBondContact ND2-OE2 3.44Å; N624-E627 PolarHBondContact O-N 3.13Å; N624-E627 VanDerWaalsContact O-N 3.17Å; N624-E627 PolarHBondContact OD1-N 2.91Å; E627-D630 PolarHBondContact O-N 3.46Å; E627-G631 PolarHBondContact O-N 2.86Å
628W72.6Confident59.2Low192 Ų192107.2 Ų107.273%0.72760%0.603SS**Hα-helixtrans-65.4-39.3172.1-85.181.4000113.4V625 K626 L632V625-W628 PolarHBondContact O-N 3.32Å; K626-W628 VanDerWaalsContact C-N 3.31Å; K626-W628 PolarHBondContact O-N 3.43Å; W628-L632 WeakPolarHBondContact O-CG 3.49Å; W628-L632 PolarHBondContact O-N 3.38Å; W628-L632 VanDerWaalsContact O-N 3.11Å
629Q74.1Confident61Low16 Ų16106.2 Ų106.28%0.07559%0.588CS.*Hα-helixtrans-62.8-45.9173.8-72-179.725.200111.6V625 K626 L632 R633 N642 F643V625-Q629 WeakPolarHBondContact O-CG 3.3Å; V625-Q629 PolarHBondContact O-N 2.85Å; K626-Q629 WeakPolarHBondContact O-CB 3.32Å; K626-Q629 PolarHBondContact O-N 2.96Å; Q629-L632 PolarHBondContact O-N 2.97Å; Q629-R633 VanDerWaalsContact O-CG 3.3Å; Q629-R633 WeakPolarHBondContact O-CG 3.17Å; Q629-R633 PolarHBondContact O-N 2.76Å; Q629-N642 PolarHBondContact OE1-OD1 3.46Å; Q629-F643 HydrophobicContact CG-CD2 3.73Å; Q629-F643 HydrophobicContact CG-CE2 4.16Å; Q629-F643 VanDerWaalsContact NE2-N 3.11Å
630D68.4Low62.5Low76 Ų76107.2 Ų107.241%0.40658%0.584SS.*Hα-helixtrans-71.1-34.9-177.7-70.7-32.1000112.2K626 E627 R633 A634K626-D630 PolarHBondContact O-N 2.96Å; E627-D630 PolarHBondContact O-N 3.46Å; D630-R633 PolarHBondContact O-N 2.69Å; D630-R633 IonicContact OD1-CZ 3.08Å; D630-R633 IonicContact OD1-NH1 3.96Å; D630-R633 PolarHBondContact OD1-NH1 2.91Å; D630-A634 WeakPolarHBondContact O-CB 3.17Å; D630-A634 PolarHBondContact O-N 3.03Å
631G75.1Confident63.8Low38 Ų38101.1 Ų101.139%0.39255%0.552SS.*Hα-helixtrans-60.8-41.9169.800000113.3E627 A634 L635E627-G631 PolarHBondContact O-N 2.86Å; G631-A634 PolarHBondContact O-N 3.36Å; G631-L635 PolarHBondContact O-N 3.14Å
632L73.8Confident65.1Low59 Ų5998.8 Ų98.831%0.30954%0.54SS..Hα-helixtrans-72.1-38.3176.6-70.2169.4000112.6W628 Q629 A634 L635 L636 I641W628-L632 WeakPolarHBondContact O-CG 3.49Å; W628-L632 PolarHBondContact O-N 3.38Å; W628-L632 VanDerWaalsContact O-N 3.11Å; Q629-L632 PolarHBondContact O-N 2.97Å; L632-A634 VanDerWaalsContact C-N 3.27Å; L632-A634 PolarHBondContact O-N 2.54Å; L632-L635 PolarHBondContact O-N 3.12Å; L632-L636 PolarHBondContact O-N 2.94Å; L632-I641 HydrophobicContact CB-CD1 3.81Å; L632-I641 HydrophobicContact CD1-CD1 4.44Å
633R73.9Confident66.2Low66 Ų66101.4 Ų101.425%0.24953%0.531CS..Hα-helixtrans-59.8-36.9172.3-73.4171-173132.96.5112Q629 D630 L635 L636 I641Q629-R633 VanDerWaalsContact O-CG 3.3Å; Q629-R633 WeakPolarHBondContact O-CG 3.17Å; Q629-R633 PolarHBondContact O-N 2.76Å; D630-R633 PolarHBondContact O-N 2.69Å; D630-R633 IonicContact OD1-CZ 3.08Å; D630-R633 IonicContact OD1-NH1 3.96Å; D630-R633 PolarHBondContact OD1-NH1 2.91Å; R633-L635 VanDerWaalsContact C-N 3.29Å; R633-L635 PolarHBondContact O-N 2.71Å; R633-L636 CarbonylContact O-C 3.49Å; R633-L636 PolarHBondContact O-N 3.27Å; R633-I641 PolarHBondContact NE-O 3.08Å; R633-I641 PolarHBondContact NH2-O 3.02Å
634A69.8Low66Low83 Ų8397 Ų9769%0.68653%0.526SS*.Hα-helixtrans-67.2-27.4177.600000113.5D630 G631 L632D630-A634 WeakPolarHBondContact O-CB 3.17Å; D630-A634 PolarHBondContact O-N 3.03Å; G631-A634 PolarHBondContact O-N 3.36Å; L632-A634 VanDerWaalsContact C-N 3.27Å; L632-A634 PolarHBondContact O-N 2.54Å
635L72.3Confident64.9Low135 Ų13596.6 Ų96.671%0.70754%0.542SS*.Hα-helixtrans-86.9-30.6177.1-65.6172.1000112.9G631 L632 R633 P637G631-L635 PolarHBondContact O-N 3.14Å; L632-L635 PolarHBondContact O-N 3.12Å; R633-L635 VanDerWaalsContact C-N 3.29Å; R633-L635 PolarHBondContact O-N 2.71Å; L635-P637 WeakPolarHBondContact O-CD 3.24Å
636L69.8Low63Low82 Ų82101.5 Ų101.543%0.42957%0.565SS.*  trans-127.668.8-174.5-64.7171.3000111.6L632 R633 N638 I639L632-L636 PolarHBondContact O-N 2.94Å; R633-L636 CarbonylContact O-C 3.49Å; R633-L636 PolarHBondContact O-N 3.27Å; L636-N638 PolarHBondContact O-N 3.43Å; L636-I639 HydrophobicContact CB-CB 4.26Å; L636-I639 HydrophobicContact CB-CD1 4.38Å; L636-I639 HydrophobicContact CB-CG1 4.48Å; L636-I639 HydrophobicContact CD1-CD1 4.35Å; L636-I639 PolarHBondContact O-N 2.83Å
637P58.9Low61.7Low111 Ų11199.6 Ų99.672%0.72157%0.567SS**THydrogen-bonded Turntrans-65.6-5.8-169.926.7-36.9000115.7L635L635-P637 WeakPolarHBondContact O-CD 3.24Å
638N50.2Low59.6Low163 Ų163101.7 Ų101.787%0.87258%0.583SS**THydrogen-bonded Turntrans-103.63.7175.9-62.4-47.8000113.2L636L636-N638 PolarHBondContact O-N 3.43Å
639I63.9Low57.5Low90 Ų9097.8 Ų97.846%0.46259%0.585SS.*  trans-126.4115.8-175.4-56-179.7000109.5L636 I641L636-I639 HydrophobicContact CB-CB 4.26Å; L636-I639 HydrophobicContact CB-CD1 4.38Å; L636-I639 HydrophobicContact CB-CG1 4.48Å; L636-I639 HydrophobicContact CD1-CD1 4.35Å; L636-I639 PolarHBondContact O-N 2.83Å; I639-I641 HydrophobicContact CG2-CG1 4.18Å; I639-I641 PolarHBondContact O-N 2.91Å
640N59.2Low55.2Low141 Ų141102.2 Ų102.275%0.75462%0.617SS**  trans-88.698.4-177.9-172.344.4000111.7
641I61.3Low53.2Low39 Ų39104.2 Ų104.220%0.264%0.637CS.*  trans-91.3132.8177.8-60164.9000109.3L632 R633 I639 F643L632-I641 HydrophobicContact CB-CD1 3.81Å; L632-I641 HydrophobicContact CD1-CD1 4.44Å; R633-I641 PolarHBondContact NE-O 3.08Å; R633-I641 PolarHBondContact NH2-O 3.02Å; I639-I641 HydrophobicContact CG2-CG1 4.18Å; I639-I641 PolarHBondContact O-N 2.91Å; I641-F643 HydrophobicContact CG2-CE2 4.14Å; I641-F643 HydrophobicContact CG2-CZ 4.23Å
642N65.5Low50.7Low107 Ų107107.8 Ų107.857%0.57266%0.656SS**  trans-153.6123.4173-178.885.8000111Q629Q629-N642 PolarHBondContact OE1-OD1 3.46Å
643F60.3Low48.4Very low128 Ų128110.4 Ų110.456%0.56168%0.679SS**PPolyproline II helixtrans-90.9120.2173.8-58.4-72.2000110.1V625 Q629 I641V625-F643 HydrophobicContact CG1-CB 4.26Å; V625-F643 HydrophobicContact CG1-CD2 3.92Å; V625-F643 HydrophobicContact CG1-CG 4.46Å; Q629-F643 HydrophobicContact CG-CD2 3.73Å; Q629-F643 HydrophobicContact CG-CE2 4.16Å; Q629-F643 VanDerWaalsContact NE2-N 3.11Å; I641-F643 HydrophobicContact CG2-CE2 4.14Å; I641-F643 HydrophobicContact CG2-CZ 4.23Å
644G44.2Very low46.1Very low73 Ų73112.2 Ų112.275%0.75370%0.702SS**PPolyproline II helixtrans-90.7139.617900000112.8
645G38.6Very low43.9Very low79 Ų79113.1 Ų113.181%0.81470%0.704SS**PPolyproline II helixtrans-101.7142.8171.900000111.9
646L31.3Very low41.6Very low177 Ų177112 Ų11293%0.92771%0.707SS**PPolyproline II helixtrans-82.9151.2178.9-74.5168000112.3
647P40Very low39.4Very low104 Ų104113.5 Ų113.568%0.67573%0.725SS**PPolyproline II helixtrans-87.9156.1-177.835.8-35.4000112.8
648N28.1Very low37.7Very low177 Ų177113.5 Ų113.595%0.94773%0.727SS**  trans-128.3127.4161.7-147.442000108.3
649S27.8Very low36.5Very low110 Ų110113 Ų11377%0.76972%0.724SS**  trans-114.2137.8-161.7-57.80000113.4
650S26.5Very low34.8Very low108 Ų108113.1 Ų113.176%0.75573%0.733SS**  trans-154.6123162.958.70000114.1
651S25.8Very low33.5Very low118 Ų118112.7 Ų112.783%0.82574%0.735SS**  trans55.2109.8155.253.20000120.4
652S24.5Very low31.9Very low114 Ų114118.8 Ų118.880%0.79777%0.768SS**  trans-77.6158.9159.451.40000113.5
653S24.7Very low30.3Very low113 Ų113122 Ų12279%0.7978%0.78SS**  trans-164.4124.1149.8-85.30000115.1
654S24.8Very low28.8Very low105 Ų105123.5 Ų123.573%0.73479%0.792SS**  trans69.3101.6131.5-51.50000123.1
655S23.6Very low28.1Very low102 Ų102123.3 Ų123.371%0.71379%0.789SS**  58.8104.9122.566.10000122.8
656S24.1Very low27.8Very low110 Ų110123.1 Ų123.177%0.76979%0.788SS**  49.1136.1114.9-48.10000123.1
657S23.5Very low28.5Very low115 Ų115121.4 Ų121.480%0.80479%0.787SS**  trans83.9147.7163-25.90000115.2
658S24.2Very low28.1Very low111 Ų111121.6 Ų121.678%0.77680%0.797SS**  cis-149.6145.120.7-59.60000115.2
659N24.5Very low28.2Very low152 Ų152116.6 Ų116.681%0.81379%0.788SS**  trans18.7119.9139.1-86.316.8000123.2
660S28.6Very low29.2Very low93 Ų93117.5 Ų117.565%0.6579%0.791SS**  61.3122.911776.20000123.8
661V31.4Very low29.3Very low131 Ų131117.5 Ų117.579%0.79480%0.797SS**  65.6126.8129.2179.60000120.1
662N28.1Very low29.4Very low167 Ų167115 Ų11589%0.89379%0.791SS**  trans-108.4112.3156.9-93.8-38.5000110.7
663H31.2Very low29.8Very low175 Ų175117.1 Ų117.181%0.8179%0.791SS**  trans-149.2158.9143.9-156.3-92.3000110.2
664I29.5Very low29.9Very low160 Ų160117 Ų11782%0.82179%0.791SS**  trans-89.6138.6-164.3-68.9164.8000112.3
665G29.8Very low30Very low68 Ų68120 Ų12070%0.70179%0.793SS**  128.439.2126.400000124.7
666G31.8Very low30.2Very low75 Ų75121 Ų12177%0.77380%0.799SS**  trans66.6-169.6159.500000117.5
667P45.6Very low30.5Very low142 Ų142124.3 Ų124.392%0.92281%0.808SS**  cis-107.2-151.4-1.342.1-32.1000113
668A32.7Very low30.7Very low107 Ų107123.6 Ų123.688%0.88480%0.803SS**  trans-115.5156.3-167.600000115.4
669G30.4Very low30.9Very low73 Ų73129.3 Ų129.375%0.75381%0.807SS**  trans153.3137.9171.700000112.8
670P47.4Very low31.2Very low129 Ų129128.2 Ų128.284%0.83880%0.802SS**  trans-107.5165.5-167.439.8-36.1000117.3
671A28.7Very low31.1Very low107 Ų107128.1 Ų128.188%0.88480%0.801SS**  trans79.1134.9156.400000119.7
672G29Very low31.1Very low66 Ų66128.3 Ų128.368%0.6880%0.802SS**  trans152.651.8162.600000120.8
673I32.2Very low31.2Very low159 Ų159124.7 Ų124.782%0.81580%0.796SS**  trans54.1164.3158.762.4171.1000119.7
674S26.1Very low31.1Very low111 Ų111121.2 Ų121.278%0.77679%0.791SS**  trans-142.5138.4-175.1-530000112.5
675H27.5Very low31Very low167 Ų167125.5 Ų125.577%0.77380%0.797SS**  trans-143.7132.3166.3-69.7-71.8000111.4
676S28.7Very low31Very low122 Ų122131 Ų13185%0.85381%0.807SS**  trans56.9120.2157.4-54.40000120.4
677L30.1Very low30.8Very low181 Ų181134.1 Ų134.195%0.94881%0.806SS**  trans-103.5166.7158.5-81.1172.9000110.9
678S27.3Very low30.3Very low100 Ų100132.9 Ų132.970%0.69980%0.798SS**  trans-140.8162.6178.655.40000112.3
679W28.9Very low30Very low230 Ų230131.2 Ų131.287%0.87178%0.784SS**  trans78.7136.2157.8-122.7-48.5000120.7
680D30.1Very low30Very low130 Ų130135 Ų13570%0.69579%0.785SS**  122168.5125.6-114.9-35.2000121.6
681S26.9Very low29Very low90 Ų90136.9 Ų136.963%0.62979%0.787SS**  trans-135.4165-132.8-44.50000115.8
682T31.6Very low29Very low135 Ų135137.2 Ų137.283%0.82878%0.778SS**  trans109.1116.3145.9-45.80000119.3
683A30.3Very low29Very low91 Ų91137.6 Ų137.675%0.75278%0.781SS**  trans43.6122.7149.700000122.8
684S28.4Very low28.9Very low103 Ų103137 Ų13772%0.7278%0.779SS**  162.3117.590.5-172.20000114.7M686S684-M686 PolarHBondContact O-N 2.95Å
685W27.6Very low29.3Very low250 Ų250138.1 Ų138.195%0.94778%0.783SS**  trans30.484.7147.4-70.367.2000119.7
686M28.8Very low29.3Very low183 Ų183134.6 Ų134.690%0.90178%0.783SS**  trans-140.2149.1146.4-59.8-170.7100.800108.9S684S684-M686 PolarHBondContact O-N 2.95Å
687D29.6Very low29.4Very low141 Ų141134.5 Ų134.575%0.75478%0.782SS**  trans-71.1147.8168.7-177.159000110A689D687-A689 PolarHBondContact OD2-N 3.24Å
688P34.9Very low29.4Very low115 Ų115131.1 Ų131.175%0.74778%0.78SS**  -139.2132.9117.935.9-24.2000114.1
689A26.5Very low29.4Very low72 Ų72129.5 Ų129.560%0.59578%0.78SS**  trans-58.5155.1156.500000112.5D687D687-A689 PolarHBondContact OD2-N 3.24Å
690I29.1Very low29.3Very low152 Ų152124.7 Ų124.778%0.77978%0.781SS**  trans73.498.4170.3-45173.4000116
691I26.3Very low29.1Very low170 Ų170123.5 Ų123.587%0.87278%0.783SS**  trans-123.1128.4136.1-70.2-176.2000108.1
692T29.7Very low29.2Very low114 Ų114126.5 Ų126.570%0.69979%0.791SS**  trans-73.8139.4179.1-40.90000111.2
693G27.8Very low29.1Very low73 Ų73127.2 Ų127.275%0.75379%0.79SS**  trans-80141.8168.400000112.4
694I31.8Very low29.1Very low148 Ų148127.3 Ų127.376%0.75978%0.784SS**  trans-140.3144.8162.7-14.7178.1000106.7
695P34.2Very low29.2Very low133 Ų133130.8 Ų130.886%0.86479%0.793SS**  -145136.986.536.6-20.3000115.2
696A27.3Very low29.6Very low93 Ų93126.5 Ų126.577%0.76978%0.784SS**  trans-159.7147.3154.200000109.3
697S29.4Very low29.7Very low121 Ų121125.2 Ų125.285%0.84678%0.781SS**  trans-99.4141.7-177-63.80000112.6
698A30.4Very low30.1Very low109 Ų109124.7 Ų124.790%0.90178%0.778SS**  trans60.2128.115700000119.9
699G27.3Very low30.3Very low67 Ų67124.6 Ų124.669%0.69177%0.771SS**  151.11.8121.500000124.2
700S28.1Very low31.5Very low129 Ų129123.9 Ų123.990%0.90276%0.76SS**  trans64.7162.2-17779.90000115
701S24.3Very low32.4Very low104 Ų104120.6 Ų120.673%0.72775%0.749SS**  cis-143.8-176.26-163.60000111
702L30.8Very low33.4Very low154 Ų154119.6 Ų119.681%0.80674%0.74SS**  trans-49.4155.6175-65.7136.4000113
703D27.8Very low34Very low149 Ų149121.9 Ų121.980%0.79774%0.736SS**  cis-145.5-176.832.8-154.9-90.6000113.2
704C30.4Very low35.1Very low93 Ų93122.5 Ų122.563%0.62872%0.722SS**  trans-137.1133.6-166.6-172.20000114.8
705L30.3Very low35.8Very low176 Ų176121.2 Ų121.292%0.92171%0.711SS**  trans-127.1134.6159.2-79.2174.4000109.6
706Q36.1Very low36.6Very low160 Ų160118 Ų11875%0.74869%0.692SS**  trans-123.9121.4-176.2179.7176-24.500108.7
707D30.8Very low37.4Very low157 Ų157118.7 Ų118.784%0.8468%0.682SS**  trans-86.6131177.3-163.7-100.8000109.7
708D38.9Very low38.4Very low129 Ų129118.8 Ų118.869%0.6967%0.669SS**  trans-131.8119.5-173.9-158.1-55.6000110.2
709N40.1Very low39.3Very low113 Ų113117.3 Ų117.360%0.60466%0.656SS**  trans-13499.4-172.6-171.30.9000110K715N709-K715 PolarHBondContact OD1-NZ 3.45Å
710P51.6Low39.9Very low57 Ų57121 Ų12137%0.3766%0.66SS.*  trans-71156.5-17326.8-34.6000113.2L714P710-L714 HydrophobicContact CB-CD2 4.1Å; P710-L714 HydrophobicContact CG-CD2 4.13Å
711P46.2Very low40.8Very low83 Ų83120.7 Ų120.754%0.53965%0.652SS.*  trans-63147.9-172.724.9-35.5000114.1W713 L714P711-W713 PolarHBondContact O-N 3.26Å; P711-L714 PolarHBondContact O-N 3.36Å; P711-L714 VanDerWaalsContact O-N 3.09Å
712H48.1Very low41.4Very low149 Ų149121.5 Ų121.569%0.6964%0.644SS**THydrogen-bonded Turntrans-50.8-27.8-168.9-169.8-72.6000116.1L714 K715 S716H712-L714 PolarHBondContact O-N 2.89Å; H712-K715 PolarHBondContact O-N 3.26Å; H712-S716 PolarHBondContact O-N 3.41Å
713W42.7Very low41.7Very low163 Ų163122.7 Ų122.762%0.61765%0.648SS**Hα-helixtrans-64.8-27.8-179.467.8-96.1000113.2P711 K715 S716 L717P711-W713 PolarHBondContact O-N 3.26Å; W713-K715 VanDerWaalsContact C-N 3.34Å; W713-S716 PolarHBondContact O-N 3.14Å; W713-L717 HydrophobicContact CE3-CD1 4.11Å; W713-L717 HydrophobicContact CZ3-CD1 3.98Å
714L51.3Low42.1Very low85 Ų85123.2 Ų123.245%0.44565%0.651SS.*Hα-helixtrans-68.9-34176.2-168.164.5000111.6P710 P711 H712 S716 L717 Q718P710-L714 HydrophobicContact CB-CD2 4.1Å; P710-L714 HydrophobicContact CG-CD2 4.13Å; P711-L714 PolarHBondContact O-N 3.36Å; P711-L714 VanDerWaalsContact O-N 3.09Å; H712-L714 PolarHBondContact O-N 2.89Å; L714-S716 VanDerWaalsContact C-N 3.29Å; L714-S716 PolarHBondContact O-N 3.03Å; L714-L717 PolarHBondContact O-N 3.47Å; L714-Q718 PolarHBondContact O-N 3.34Å
715K45.8Very low42.1Very low121 Ų121122 Ų12253%0.52665%0.654SS.*Hα-helixtrans-68.8-25.8176.2-73.7169.4173.8160.60112.6N709 H712 W713N709-K715 PolarHBondContact OD1-NZ 3.45Å; H712-K715 PolarHBondContact O-N 3.26Å; W713-K715 VanDerWaalsContact C-N 3.34Å
716S50.3Low43Very low67 Ų67119.8 Ų119.847%0.46965%0.65SS.*Hα-helixtrans-75.4-21.3174.2-60.80000114.2H712 W713 L714H712-S716 PolarHBondContact O-N 3.41Å; W713-S716 PolarHBondContact O-N 3.14Å; L714-S716 VanDerWaalsContact C-N 3.29Å; L714-S716 PolarHBondContact O-N 3.03Å
717L45.6Very low42.7Very low106 Ų106117 Ų11756%0.55565%0.654SS**Hα-helixtrans-80.9-35.4175-79.8164000112.3W713 L714 A719W713-L717 HydrophobicContact CE3-CD1 4.11Å; W713-L717 HydrophobicContact CZ3-CD1 3.98Å; L714-L717 PolarHBondContact O-N 3.47Å; L717-A719 VanDerWaalsContact C-N 3.26Å; L717-A719 PolarHBondContact O-N 3.17Å
718Q50.1Low42.7Very low124 Ų124115 Ų11558%0.57965%0.652SS**Hα-helixtrans-60.9-36.3177.9-162.670.221.900112.3L714 L720L714-Q718 PolarHBondContact O-N 3.34Å; Q718-L720 PolarHBondContact O-N 3.22Å
719A47.9Very low42.4Very low77 Ų77114.5 Ų114.564%0.63666%0.659SS**THydrogen-bonded Turntrans-729-173.200000116.1L717L717-A719 VanDerWaalsContact C-N 3.26Å; L717-A719 PolarHBondContact O-N 3.17Å
720L40.4Very low42Very low146 Ų146114 Ų11476%0.76467%0.671SS**THydrogen-bonded Turntrans-1167.7-177-72.1171.6000114.5Q718Q718-L720 PolarHBondContact O-N 3.22Å
721T47.3Very low41Very low121 Ų121117.6 Ų117.674%0.74269%0.692SS**SBendtrans-123.90.6-164.2-38.90000115.6
722E37.7Very low40.5Very low121 Ų121119.9 Ų119.957%0.56571%0.707SS**  trans-136.2144.2-175.260.4177.9-138.300115.3H746E722-H746 IonicContact OE1-CE1 2.62Å; E722-H746 PolarHBondContact OE1-CE1 2.85Å; E722-H746 IonicContact OE1-ND1 2.68Å; E722-H746 PolarHBondContact OE1-ND1 3.35Å; E722-H746 IonicContact OE2-ND1 2.69Å
723M35.7Very low39.6Very low180 Ų180117 Ų11789%0.88771%0.708SS**  trans-161.1146.8176-174.873.479.900110.7
724D37.1Very low40Very low160 Ų160114.9 Ų114.986%0.85672%0.715SS**  trans92.7144.4158.8-129.6-49.6000121.5
725G30.6Very low39.5Very low66 Ų66116.7 Ų116.768%0.6873%0.733SS**  trans107.8113.7165.200000120
726P48.3Very low38.7Very low130 Ų130119.4 Ų119.484%0.84475%0.747SS**  trans-129.8157.5-176.241.4-29.2000118.9
727A30.7Very low38.4Very low102 Ų102121 Ų12184%0.84376%0.756SS**  trans-166.7174.4157.800000112.8
728S30.4Very low37.4Very low114 Ų114123.3 Ų123.380%0.79777%0.768SS**  trans-144.6154.2-164.3-44.60000117.8
729S32.1Very low36.4Very low119 Ų119125.4 Ų125.483%0.83278%0.777SS**  135.2150.1128.9-63.90000119.8
730A31.5Very low35.5Very low103 Ų103127.3 Ų127.385%0.85179%0.786SS**  trans89.7142.615700000121.1
731V30.8Very low34.8Very low133 Ų133123.8 Ų123.881%0.80679%0.785SS**  trans-149.7144.8-171173.40000111.3
732P35.7Very low33.8Very low131 Ų131125.7 Ų125.785%0.85179%0.79SS**  trans-135.7165.7136.832.6-16.6000114.1
733A29.7Very low33.3Very low88 Ų88127.9 Ų127.973%0.72781%0.805SS**  trans-156.8-178.8-177.700000110.4
734P50.9Low33Very low118 Ų118127.2 Ų127.277%0.76681%0.805SS**  cis-119.2-156.3-13.647.1-31.5000110.1
735P41.8Very low32.6Very low124 Ų124123 Ų12381%0.80580%0.799SS**  cis-138-17047.338.2-15.3000116.1
736Q28.8Very low32.5Very low178 Ų178125.7 Ų125.783%0.83279%0.793SS**  trans-88.2176.6-177.1-63.5-98.9-30.700113
737P42.8Very low32Very low101 Ų101125.5 Ų125.566%0.65678%0.784SS**  -132.9162.7-51.838.3-24.2000112.8
738L25.1Very low32.5Very low153 Ų153126.4 Ų126.480%0.80178%0.782SS**  trans174.4141.5150.4-98.7157.3000113.1
739H28Very low32.5Very low168 Ų168126.9 Ų126.978%0.77878%0.775SS**  trans59.1147.6161.2-72.3-70.4000122.8
740S29.1Very low32.4Very low118 Ų118129 Ų12983%0.82577%0.771SS**  trans71.3123.1150.7-60.30000121.9
741G26Very low32.2Very low72 Ų72131.9 Ų131.974%0.74277%0.767SS**  97103.2112.900000120.7
742L26.1Very low32Very low161 Ų161136.6 Ų136.684%0.84377%0.77SS**  trans63.8139.4131.8-96.4166.3000122.9
743L28.9Very low31.7Very low167 Ų167134.7 Ų134.787%0.87477%0.765SS**  trans78.5131.1163-57.1178.3000119.1
744D27.7Very low32.5Very low166 Ų166136 Ų13689%0.88877%0.767SS**  trans-123155.4176.6-165.3-31000108.3
745G28.8Very low31.5Very low71 Ų71136.4 Ų136.473%0.73277%0.772SS**  trans-152.831.3-153.300000118.1
746H30Very low30.8Very low123 Ų123133.7 Ų133.757%0.56977%0.766SS**  trans71.3174.8161.7-128.3-121000120.6E722E722-H746 IonicContact OE1-CE1 2.62Å; E722-H746 PolarHBondContact OE1-CE1 2.85Å; E722-H746 IonicContact OE1-ND1 2.68Å; E722-H746 PolarHBondContact OE1-ND1 3.35Å; E722-H746 IonicContact OE2-ND1 2.69Å
747L37.8Very low30.8Very low125 Ų125137.8 Ų137.865%0.65477%0.774SS**  trans-98.1174.9-160.4-101.289.3000112.4L749L747-L749 HydrophobicContact CD2-CD1 4.17Å
748P39.6Very low30.3Very low122 Ų122137.1 Ų137.179%0.79278%0.778SS**  -153.1-165.755.341.9-17.2000118.6
749L31.4Very low31.4Very low123 Ų123135.2 Ų135.264%0.64478%0.775SS**  trans-95.7156.2-171-59.481.6000114.1L747L747-L749 HydrophobicContact CD2-CD1 4.17Å
750H30.3Very low31.5Very low163 Ų163138.1 Ų138.176%0.75578%0.78SS**  173.4-178.1107.6-93.6-64.7000114
751H27.6Very low31.7Very low164 Ų164140.3 Ų140.376%0.75978%0.782SS**  trans-94.6157.9-160-39.2-91.3000115.5
752R26.2Very low33.5Very low233 Ų233142.3 Ų142.388%0.87978%0.782SS**  156.211896.3-170.2170.1-165.5167.74.9116.9
753A29.5Very low34.4Very low90 Ų90140 Ų14074%0.74478%0.777SS**  trans66.8174.9151.300000118
754P46.6Very low35.3Very low117 Ų117137.8 Ų137.876%0.7677%0.772SS**  cis-139.1-163.85.845.6-27000117.5
755S29.5Very low35.8Very low125 Ų125136.7 Ų136.787%0.87477%0.771SS**  trans78.4139.2174.677.70000116.8
756G27.5Very low35.8Very low67 Ų67137.6 Ų137.669%0.69177%0.772SS**  cis-164.1176.4-10.600000107.6
757W29.4Very low35.7Very low264 Ų264139.2 Ų139.2100%179%0.785SS**  cis-147.7175.620.3-76.352.4000109.6
758A31.2Very low36.1Very low88 Ų88138.6 Ų138.673%0.72779%0.788SS**  trans-125.1168.9177.600000112.2
759P47.8Very low35.5Very low113 Ų113139.7 Ų139.773%0.73479%0.793SS**  -155.6141.385.434.4-12.1000119.9
760Y31.1Very low35.6Very low229 Ų229137.6 Ų137.690%0.89880%0.801SS**  trans56.7163.3143.6-67.5-78000124.8
761L33.9Very low35.8Very low163 Ų163137.6 Ų137.685%0.85380%0.801SS**  trans-143.1179-172.2-70.6168.3000108.9
762P62.1Low35.9Very low115 Ų115137.9 Ų137.975%0.74780%0.801SS**  cis-121.5-122.6-6.932-6.8000109.3
763P46.7Very low36.1Very low113 Ų113134.7 Ų134.773%0.73480%0.796SS**  cis-119.3-92.9-29.820.15.5000119.6
764P46.4Very low36.4Very low119 Ų119135 Ų13577%0.77379%0.792SS**  trans-119.3173.2-138.641.9-26.8000117.6
765T37.7Very low37.3Very low143 Ų143135 Ų13588%0.87779%0.792SS**  trans-115.9134.7-17344.40000114.8
766A30.5Very low38.3Very low90 Ų90134.4 Ų134.474%0.74479%0.785SS**  trans-166.1135.8166.400000114.7
767N26.7Very low39.5Very low158 Ų158137 Ų13785%0.84579%0.79SS**  trans62.1174.4153.8-71-6.4000119.2
768P46.5Very low39.5Very low112 Ų112127.7 Ų127.773%0.72778%0.776SS**  -137.2-179.2-56.341.8-26.7000115.8
769T28.1Very low39.4Very low145 Ų145133.5 Ų133.589%0.8979%0.786SS**  trans-21146.6167.854.30000122.3
770G32.1Very low38.7Very low79 Ų79137 Ų13781%0.81479%0.792SS**  trans-159.7119.7160.900000114.8
771Q35.8Very low38.8Very low162 Ų162132.8 Ų132.876%0.75779%0.79SS**  trans-62.6168.7-171.9-59156.8-29.800115.2
772F29.4Very low38.7Very low171 Ų171128.8 Ų128.875%0.7578%0.781SS**  cis-141.1-167.721.6-57.8-99.1000110.1
773H30.9Very low37.2Very low166 Ų166133.5 Ų133.577%0.76979%0.79SS**  cis-152-1534.4-147.8-22.4000113.2
774S34.2Very low36.3Very low95 Ų95139.2 Ų139.266%0.66480%0.797SS**  trans-165.1-157.1-172.2-32.20000108.9
775P65.4Low36.9Very low118 Ų118138.7 Ų138.777%0.76679%0.793SS**  cis-112.5-138.9-9.640-20.7000109.1
776P50.8Low37.6Very low112 Ų112138.1 Ų138.173%0.72779%0.792SS**  cis-130.4-163.1-19.937-15.7000113.2
777P52.1Low37.4Very low121 Ų121137.4 Ų137.479%0.78679%0.793SS**  -127.8151.5-52.433.3-17.7000115.1
778G31.3Very low37.7Very low70 Ų70138.4 Ų138.472%0.72279%0.793SS**  82.893.1129.600000121.3
779F28.9Very low37.3Very low210 Ų210139 Ų13992%0.92180%0.797SS**  -167.9145.8103-113.2-81.8000110.5
780Q31.7Very low37.3Very low187 Ų187135.5 Ų135.587%0.87478%0.783SS**  trans-156.9137.7-178.9-99.4-159.870.800112.8
781T34.5Very low37.3Very low140 Ų140137.7 Ų137.786%0.85978%0.781SS**  trans-178.5153.8159.724.60000107.9
782A31.9Very low37Very low79 Ų79138.3 Ų138.365%0.65378%0.783SS**  cis-168.3143.61.900000114.4
783F29.5Very low37.2Very low213 Ų213136.3 Ų136.393%0.93478%0.78SS**  trans69.7-169.3141.4-78.1-79.3000124.1
784R27.8Very low37.3Very low233 Ų233134.2 Ų134.288%0.87977%0.774SS**  trans-130.5175.3-143.1-120-160.5167.2176.1-4.1112.8
785P58.8Low37.2Very low108 Ų108137.5 Ų137.570%0.70178%0.779SS**  trans-84.7-169.5-178.641.8-39.5000111.9
786P53.1Low35.8Very low131 Ų131136.4 Ų136.485%0.85177%0.774SS**  cis-145.5-171.317.245.6-25.2000118.4
787G26.6Very low34.9Very low75 Ų75135.7 Ų135.777%0.77378%0.777SS**  trans179.4117.9162.900000116.3
788Q31.8Very low33.9Very low180 Ų180134 Ų13484%0.84177%0.774SS**  trans-114.5149.3151.3-83.5-164.2-20.100107.1
789P38.3Very low34Very low123 Ų123137.5 Ų137.580%0.79978%0.781SS**  -109.2161.974.4-7.628.9000112.2
790A28.1Very low34.3Very low73 Ų73132.4 Ų132.460%0.60376%0.763SS**  cis76.298.829.500000115.6
791T32.5Very low34.4Very low125 Ų125132.6 Ų132.677%0.76776%0.756SS**  trans-177.3123.3133.434.40000110.5
792E29.7Very low34.6Very low174 Ų174137 Ų13781%0.81377%0.766SS**  trans60.6164.3139.9-56.7-166.5131.700119.4
793L33Very low34.7Very low129 Ų129139.9 Ų139.968%0.67577%0.772SS**  cis-144.8172.5-3.7-154.367.4000110.5
794L33.6Very low35Very low123 Ų123136 Ų13664%0.64476%0.763SS**  trans5.5133.4160-88.977.2000119.8
795Q32.6Very low35.4Very low164 Ų164130.6 Ų130.677%0.76676%0.757SS**  78.9149.954-166.4-177.946.600114.1
796S35.1Very low34.1Very low94 Ų94131.9 Ų131.966%0.65776%0.76SS**  trans80.3132.3178.9-48.90000113.8
797A31.4Very low32.9Very low97 Ų97132 Ų13280%0.80275%0.754SS**  cis67.2139.242.800000112
798A31Very low33.3Very low86 Ų86135.8 Ų135.871%0.71175%0.753SS**  cis-164.9-143.7-12.500000104.9
799V33.9Very low33.4Very low144 Ų144132.6 Ų132.687%0.87375%0.747SS**  trans70.4149.1157.1165.60000114.6
800D34.9Very low33Very low103 Ų103133.4 Ų133.455%0.55174%0.743SS**  cis-175.4169.3-24177.8-144.3000106.5
801R33.6Very low33.4Very low190 Ų190138.4 Ų138.472%0.71775%0.754SS**  trans67.1157.8165.4-84.5158.7165.492.3-2.2116
802H39.7Very low33.5Very low232 Ų232139.6 Ų139.6100%1.07475%0.753SS**  cis-127.2016.3-121.3-57.1000114.7

Retrieved 802 of 802 residues in 859.5 ms (Link to these results)

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