A0A096LYZ9_POEFO Loading...

ESF1, nucleolar pre-rRNA processing protein, homolog (S. cerevisiae)

AlphaFold DB , UniProt , Accession A0A096LYZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 553 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
1M34.9Very low51.4Low209 Ų209141.8 Ų141.8100%1.0372%0.716SS**  0147.20-71.3-72.6-163.700110.6
2S30.7Very low53.4Low123 Ų123145.4 Ų145.486%0.8671%0.714SS**  trans-86.9114.5171.9-173.50000111.1R4S2-R4 PolarHBondContact O-N 2.75Å
3S36.8Very low54.9Low95 Ų95141.8 Ų141.866%0.66469%0.693SS**  trans-48.3120.4-176.5-178.20000113.1K5S3-K5 PolarHBondContact O-N 3.41Å
4R50.2Low56.2Low171 Ų171135.1 Ų135.165%0.64567%0.666SS**  trans-6765.2170.2-91.5177.1161.7154.3-10.9110S2 K6 E24 E27S2-R4 PolarHBondContact O-N 2.75Å; R4-K6 PolarHBondContact O-N 2.79Å; R4-E24 IonicContact NH2-OE2 2.76Å; R4-E24 PolarHBondContact NH2-OE2 3.19Å; R4-E27 IonicContact CZ-OE1 2.72Å; R4-E27 IonicContact NH1-OE1 3.67Å; R4-E27 PolarHBondContact NH1-OE1 2.63Å; R4-E27 IonicContact NH1-OE2 2.71Å; R4-E27 IonicContact NH2-OE1 3.84Å; R4-E27 PolarHBondContact NH2-OE1 2.99Å; R4-E27 VanDerWaalsContact NH2-OE1 3.11Å
5K43Very low57.2Low179 Ų179139.9 Ų139.978%0.77867%0.674SS**  trans-57.9104.8170.9-95176.8176.6164.80108.8S3 Q7S3-K5 PolarHBondContact O-N 3.41Å; K5-Q7 PolarHBondContact O-N 3.43Å
6K50.7Low58.5Low193 Ų193134.6 Ų134.684%0.83965%0.652SS**  trans-50.2109.3-173.2-67.1177.4178.5175.30111.2R4 A8R4-K6 PolarHBondContact O-N 2.79Å; K6-A8 HydrophobicContact CB-CB 4.32Å; K6-A8 PolarHBondContact O-N 3.09Å
7Q52.9Low59.3Low157 Ų157132.5 Ų132.573%0.73464%0.641SS**  trans-73.440.5172-65.6-176.7-14.900111.8K5 N9 Q17K5-Q7 PolarHBondContact O-N 3.43Å; Q7-N9 VanDerWaalsContact C-N 3.3Å; Q7-N9 PolarHBondContact O-N 2.92Å; Q7-Q17 PolarHBondContact O-NE2 3.09Å
8A53.8Low60.3Low44 Ų44134.6 Ų134.636%0.36465%0.647SS.*THydrogen-bonded Turntrans-80.9-7.2-173.900000114.1K6K6-A8 HydrophobicContact CB-CB 4.32Å; K6-A8 PolarHBondContact O-N 3.09Å
9N58Low61.5Low155 Ų155129.6 Ų129.683%0.82962%0.624SS**THydrogen-bonded Turntrans-117.413.9-166.6-62.4-5000114.1Q7Q7-N9 VanDerWaalsContact C-N 3.3Å; Q7-N9 PolarHBondContact O-N 2.92Å
10D77.1Confident62.5Low54 Ų54127.5 Ų127.529%0.28962%0.621SS.*  trans-105.1109.2171.5-168.7-32.6000109.8R12 F13 C14D10-R12 PolarHBondContact O-N 3.27Å; D10-R12 VanDerWaalsContact OD1-CB 3.31Å; D10-R12 WeakPolarHBondContact OD1-CB 3.4Å; D10-R12 WeakPolarHBondContact OD1-CG 3.37Å; D10-R12 IonicContact OD1-CZ 2.73Å; D10-R12 PolarHBondContact OD1-N 2.73Å; D10-R12 VanDerWaalsContact OD1-N 3.12Å; D10-R12 IonicContact OD1-NE 3.4Å; D10-R12 PolarHBondContact OD1-NE 3.02Å; D10-R12 IonicContact OD1-NH2 3.49Å; D10-R12 IonicContact OD2-CZ 2.78Å; D10-R12 IonicContact OD2-NE 3.4Å; D10-R12 PolarHBondContact OD2-NE 3.48Å; D10-R12 IonicContact OD2-NH2 2.66Å; D10-R12 PolarHBondContact OD2-NH2 3.4Å; D10-F13 HydrophobicContact CB-CD2 4.01Å; D10-F13 PolarHBondContact O-N 3.43Å; D10-C14 PolarHBondContact O-N 3.47Å
11E76.9Confident63.3Low180 Ų180131.7 Ų131.784%0.84163%0.63SS**THydrogen-bonded Turntrans-52.3-29.1-176.2-61.9176147.700113F13E11-F13 VanDerWaalsContact C-N 3.28Å; E11-F13 PolarHBondContact O-N 2.96Å
12R75.8Confident65.3Low185 Ų185127.8 Ų127.870%0.69861%0.608SS**THydrogen-bonded Turntrans-68.1-26.2180-58.3175.6-67.4163.2-0.4113D10D10-R12 PolarHBondContact O-N 3.27Å; D10-R12 VanDerWaalsContact OD1-CB 3.31Å; D10-R12 WeakPolarHBondContact OD1-CB 3.4Å; D10-R12 WeakPolarHBondContact OD1-CG 3.37Å; D10-R12 IonicContact OD1-CZ 2.73Å; D10-R12 PolarHBondContact OD1-N 2.73Å; D10-R12 VanDerWaalsContact OD1-N 3.12Å; D10-R12 IonicContact OD1-NE 3.4Å; D10-R12 PolarHBondContact OD1-NE 3.02Å; D10-R12 IonicContact OD1-NH2 3.49Å; D10-R12 IonicContact OD2-CZ 2.78Å; D10-R12 IonicContact OD2-NE 3.4Å; D10-R12 PolarHBondContact OD2-NE 3.48Å; D10-R12 IonicContact OD2-NH2 2.66Å; D10-R12 PolarHBondContact OD2-NH2 3.4Å
13F72.8Confident67.7Low99 Ų99129.9 Ų129.943%0.43460%0.597SS.*THydrogen-bonded Turntrans-108.2-2.2-175.9-61-78.1000113.4D10 E11 R15 V16 Q17D10-F13 HydrophobicContact CB-CD2 4.01Å; D10-F13 PolarHBondContact O-N 3.43Å; E11-F13 VanDerWaalsContact C-N 3.28Å; E11-F13 PolarHBondContact O-N 2.96Å; F13-R15 PolarHBondContact O-N 3.48Å; F13-V16 HydrophobicContact CD1-CG2 4.2Å; F13-V16 WeakPolarHBondContact O-CB 3.47Å; F13-V16 PolarHBondContact O-N 3.18Å; F13-Q17 PolarHBondContact O-N 3.28Å
14C73.4Confident69.7Low47 Ų47131.9 Ų131.932%0.31860%0.596SS.*THydrogen-bonded Turntrans-58.7-18.4174.6-66.80000114.4D10D10-C14 PolarHBondContact O-N 3.47Å
15R71.6Confident71.2Confident207 Ų207129 Ų12978%0.78159%0.591SS**THydrogen-bonded Turntrans-78.6-36.6172.6-168.6169.7-177.8149.8-0.9112.4F13 Q17 K18 D19F13-R15 PolarHBondContact O-N 3.48Å; R15-Q17 VanDerWaalsContact C-N 3.35Å; R15-Q17 PolarHBondContact O-N 2.83Å; R15-K18 PolarHBondContact O-N 3.32Å; R15-K18 VanDerWaalsContact O-N 3.13Å; R15-D19 PolarHBondContact O-N 3.47Å; R15-D19 VanDerWaalsContact O-N 3.1Å
16V77.9Confident73.1Confident55 Ų55123.7 Ų123.733%0.33358%0.575SS.*G310 helixtrans-62.6-42.1178.4-176.70000110.6F13 K18 D19 F22F13-V16 HydrophobicContact CD1-CG2 4.2Å; F13-V16 WeakPolarHBondContact O-CB 3.47Å; F13-V16 PolarHBondContact O-N 3.18Å; V16-K18 PolarHBondContact O-N 3.18Å; V16-D19 PolarHBondContact O-N 3.09Å; V16-F22 HydrophobicContact CG1-CB 3.51Å; V16-F22 HydrophobicContact CG1-CD1 4.11Å; V16-F22 HydrophobicContact CG1-CD2 4.35Å; V16-F22 HydrophobicContact CG1-CG 3.76Å
17Q71.8Confident74.2Confident100 Ų100118.6 Ų118.647%0.46755%0.554SS.*G310 helixtrans-66.8-17.2177.4-64.9-176.7-6.100114.3Q7 F13 R15 W23Q7-Q17 PolarHBondContact O-NE2 3.09Å; F13-Q17 PolarHBondContact O-N 3.28Å; R15-Q17 VanDerWaalsContact C-N 3.35Å; R15-Q17 PolarHBondContact O-N 2.83Å; Q17-W23 PolarHBondContact O-NE1 3.26Å
18K77.1Confident75.3Confident170 Ų170117.5 Ų117.574%0.73955%0.547SS*.G310 helixtrans-107.1-10.9-176.4-70.4179.1178.6177.80114.1R15 V16R15-K18 PolarHBondContact O-N 3.32Å; R15-K18 VanDerWaalsContact O-N 3.13Å; V16-K18 PolarHBondContact O-N 3.18Å
19D83.6Confident76.4Confident39 Ų39121.8 Ų121.821%0.20956%0.559CS.*  trans-99.3115.4179.9-177.4-19.1000108.8R15 V16 R21 F22R15-D19 PolarHBondContact O-N 3.47Å; R15-D19 VanDerWaalsContact O-N 3.1Å; V16-D19 PolarHBondContact O-N 3.09Å; D19-R21 PolarHBondContact O-N 3.46Å; D19-R21 WeakPolarHBondContact OD1-CB 3.49Å; D19-R21 WeakPolarHBondContact OD1-CD 3.4Å; D19-R21 WeakPolarHBondContact OD1-CG 3.29Å; D19-R21 PolarHBondContact OD1-N 2.55Å; D19-R21 VanDerWaalsContact OD1-N 3.1Å; D19-R21 IonicContact OD1-NE 3.64Å; D19-F22 HydrophobicContact CB-CD2 3.88Å; D19-F22 HydrophobicContact CB-CE2 4.25Å; D19-F22 PolarHBondContact O-N 2.98Å
20P80.9Confident77.6Confident87 Ų87119.9 Ų119.957%0.56554%0.541SS*.G310 helixtrans-64.5-10.6-173.427.6-36000113.8F22 W23P20-F22 PolarHBondContact O-N 2.89Å; P20-W23 HydrophobicContact CB-CD2 4.12Å; P20-W23 HydrophobicContact CB-CE3 3.94Å; P20-W23 HydrophobicContact CB-CZ3 4.21Å; P20-W23 PolarHBondContact O-N 2.96Å
21R78.7Confident78Confident217 Ų217120.5 Ų120.582%0.81954%0.541SS*.G310 helixtrans-65.4-21171.2-60.9170.1-170.9-160.22.3113.4D19D19-R21 PolarHBondContact O-N 3.46Å; D19-R21 WeakPolarHBondContact OD1-CB 3.49Å; D19-R21 WeakPolarHBondContact OD1-CD 3.4Å; D19-R21 WeakPolarHBondContact OD1-CG 3.29Å; D19-R21 PolarHBondContact OD1-N 2.55Å; D19-R21 VanDerWaalsContact OD1-N 3.1Å; D19-R21 IonicContact OD1-NE 3.64Å
22F78.3Confident78.5Confident126 Ų126116.3 Ų116.355%0.55353%0.527SS*.G310 helixtrans-113.713.2-177.9-54.3-89.1000112.7V16 D19 P20V16-F22 HydrophobicContact CG1-CB 3.51Å; V16-F22 HydrophobicContact CG1-CD1 4.11Å; V16-F22 HydrophobicContact CG1-CD2 4.35Å; V16-F22 HydrophobicContact CG1-CG 3.76Å; D19-F22 HydrophobicContact CB-CD2 3.88Å; D19-F22 HydrophobicContact CB-CE2 4.25Å; D19-F22 PolarHBondContact O-N 2.98Å; P20-F22 PolarHBondContact O-N 2.89Å
23W79.9Confident79Confident167 Ų167113.2 Ų113.263%0.63352%0.519SS*.PPolyproline II helixtrans-78.9121.3169.5-69.1-4.2000109Q17 P20Q17-W23 PolarHBondContact O-NE1 3.26Å; P20-W23 HydrophobicContact CB-CD2 4.12Å; P20-W23 HydrophobicContact CB-CE3 3.94Å; P20-W23 HydrophobicContact CB-CZ3 4.21Å; P20-W23 PolarHBondContact O-N 2.96Å
24E78.3Confident79.6Confident137 Ų137109.3 Ų109.364%0.6450%0.502SS*.PPolyproline II helixtrans-59.6139.7170-69.4179.1-174.600109.4R4R4-E24 IonicContact NH2-OE2 2.76Å; R4-E24 PolarHBondContact NH2-OE2 3.19Å
25M82.6Confident80.2Confident110 Ų110110.5 Ų110.554%0.54251%0.505SS..PPolyproline II helixtrans-54.2131.3172.2178.5-179.8-77.100109.9E29 R30M25-E29 HydrophobicContact CG-CB 3.66Å; M25-E29 HydrophobicContact SD-CB 4.08Å; M25-R30 HydrophobicContact CG-CB 4.36Å; M25-R30 HydrophobicContact SD-CB 4.27Å
26P82.5Confident80.7Confident69 Ų69108.5 Ų108.545%0.44850%0.502SS..PPolyproline II helixtrans-49.6142178.9-29.535.3000112.6K28 E29 R30P26-K28 PolarHBondContact O-N 2.95Å; P26-K28 VanDerWaalsContact O-N 3.14Å; P26-E29 HydrophobicContact CB-CB 4.39Å; P26-E29 HydrophobicContact CB-CG 4.27Å; P26-E29 WeakPolarHBondContact CD-OE2 3.28Å; P26-E29 HydrophobicContact CG-CG 4.47Å; P26-E29 WeakPolarHBondContact O-CA 3.36Å; P26-E29 WeakPolarHBondContact O-CB 3.12Å; P26-E29 PolarHBondContact O-N 3.02Å; P26-R30 PolarHBondContact O-N 3.1Å
27E73.8Confident80.9Confident85 Ų85114.8 Ų114.840%0.39752%0.52SS..Hα-helixtrans-69.4-18-171.6-49.8-159.1147.800113R4 R30 K31R4-E27 IonicContact CZ-OE1 2.72Å; R4-E27 IonicContact NH1-OE1 3.67Å; R4-E27 PolarHBondContact NH1-OE1 2.63Å; R4-E27 IonicContact NH1-OE2 2.71Å; R4-E27 IonicContact NH2-OE1 3.84Å; R4-E27 PolarHBondContact NH2-OE1 2.99Å; R4-E27 VanDerWaalsContact NH2-OE1 3.11Å; E27-R30 IonicContact OE1-CZ 3.9Å; E27-R30 IonicContact OE1-NH1 2.65Å; E27-R30 PolarHBondContact OE1-NH1 2.88Å; E27-R30 IonicContact OE1-NH2 3.59Å; E27-R30 PolarHBondContact OE1-NH2 3.45Å; E27-R30 IonicContact OE2-NH2 2.23Å; E27-K31 WeakPolarHBondContact O-CD 3.48Å; E27-K31 VanDerWaalsContact O-CG 3.28Å; E27-K31 WeakPolarHBondContact O-CG 3.44Å
28K76.7Confident81.3Confident134 Ų134114.3 Ų114.358%0.58352%0.517SS*.Hα-helixtrans-73.2-29165.9-72.1-159.4176.1-166.30113.5P26 E77P26-K28 PolarHBondContact O-N 2.95Å; P26-K28 VanDerWaalsContact O-N 3.14Å; K28-E77 IonicContact NZ-OE1 2.66Å; K28-E77 PolarHBondContact NZ-OE1 3.38Å
29E77.3Confident81.6Confident134 Ų134108.5 Ų108.563%0.62649%0.492SS*.Hα-helixtrans-86.4-30.3177.5-69.2173.5-158.100112.2M25 P26 K31M25-E29 HydrophobicContact CG-CB 3.66Å; M25-E29 HydrophobicContact SD-CB 4.08Å; P26-E29 HydrophobicContact CB-CB 4.39Å; P26-E29 HydrophobicContact CB-CG 4.27Å; P26-E29 WeakPolarHBondContact CD-OE2 3.28Å; P26-E29 HydrophobicContact CG-CG 4.47Å; P26-E29 WeakPolarHBondContact O-CA 3.36Å; P26-E29 WeakPolarHBondContact O-CB 3.12Å; P26-E29 PolarHBondContact O-N 3.02Å; E29-K31 VanDerWaalsContact C-N 3.32Å
30R82.1Confident81.5Confident116 Ų116109.4 Ų109.444%0.43850%0.501SS..Hα-helixtrans-73.5-20.9177.7-169177.370.3-145.3-0.6113.4M25 P26 E27M25-R30 HydrophobicContact CG-CB 4.36Å; M25-R30 HydrophobicContact SD-CB 4.27Å; P26-R30 PolarHBondContact O-N 3.1Å; E27-R30 IonicContact OE1-CZ 3.9Å; E27-R30 IonicContact OE1-NH1 2.65Å; E27-R30 PolarHBondContact OE1-NH1 2.88Å; E27-R30 IonicContact OE1-NH2 3.59Å; E27-R30 PolarHBondContact OE1-NH2 3.45Å; E27-R30 IonicContact OE2-NH2 2.23Å
31K86.1Confident81.6Confident67 Ų67107 Ų10729%0.29148%0.483SS..SBendtrans-88.6137.6-178.5-80.1176.5165.2-144.50111.7E27 E29 R69 F71 Y72 Q73E27-K31 WeakPolarHBondContact O-CD 3.48Å; E27-K31 VanDerWaalsContact O-CG 3.28Å; E27-K31 WeakPolarHBondContact O-CG 3.44Å; E29-K31 VanDerWaalsContact C-N 3.32Å; K31-R69 VanDerWaalsContact CE-O 3.26Å; K31-R69 WeakPolarHBondContact CE-O 3.4Å; K31-R69 PolarHBondContact NZ-O 3.02Å; K31-F71 CarbonylContact C-O 3.57Å; K31-F71 WeakPolarHBondContact CA-O 3.15Å; K31-Y72 WeakPolarHBondContact CD-O 3.47Å; K31-Y72 PolarHBondContact NZ-O 3.34Å; K31-Q73 HydrophobicContact CB-CB 3.94Å; K31-Q73 HydrophobicContact CD-CB 4.49Å
32V86.6Confident81.7Confident92 Ų9297.1 Ų97.156%0.55845%0.446SS*.EExtended strand (participates in β ladder)trans-84.5129.5175.6-177.80000109.5I34 F71 Y72 Q73V32-I34 PolarHBondContact O-N 2.95Å; V32-F71 PolarHBondContact N-O 3.28Å; V32-Y72 HydrophobicContact CB-CD1 4.14Å; V32-Y72 HydrophobicContact CB-CE1 4.3Å; V32-Y72 HydrophobicContact CG1-CE1 4.43Å; V32-Y72 CarbonylContact O-C 3.52Å; V32-Y72 VanDerWaalsContact O-CA 3.23Å; V32-Y72 WeakPolarHBondContact O-CA 3.46Å; V32-Y72 WeakPolarHBondContact O-CD1 3.24Å; V32-Q73 PolarHBondContact O-N 3.41Å
33K86.7Confident81.9Confident120 Ų12097.6 Ų97.652%0.52245%0.45SS..EExtended strand (participates in β ladder)trans-65.7125174.7-65.3-179.2170.8-157.20110E75K33-E75 HydrophobicContact CD-CG 4.23Å; K33-E75 WeakPolarHBondContact CD-OE1 3.42Å; K33-E75 VanDerWaalsContact CE-OE1 3.24Å; K33-E75 WeakPolarHBondContact CE-OE1 3.22Å; K33-E75 HydrophobicContact CG-CG 4.28Å; K33-E75 IonicContact NZ-OE1 2.94Å; K33-E75 PolarHBondContact NZ-OE1 2.92Å
34I85.1Confident82.1Confident16 Ų1692.1 Ų92.18%0.08243%0.433CS..PPolyproline II helixtrans-84.9133.5-176.7-162.9168.7000111.7V32 F38 Q39 M41 F42 Y72 Q73 L74V32-I34 PolarHBondContact O-N 2.95Å; I34-F38 HydrophobicContact CD1-CB 3.79Å; I34-F38 WeakPolarHBondContact CD1-O 3.49Å; I34-F38 HydrophobicContact CG1-CB 3.83Å; I34-Q39 HydrophobicContact CG2-CG 3.94Å; I34-M41 HydrophobicContact CD1-CE 4.22Å; I34-F42 HydrophobicContact CD1-CD2 4.49Å; I34-F42 HydrophobicContact CD1-CE2 3.74Å; I34-Y72 HydrophobicContact CB-CD1 4.03Å; I34-Y72 HydrophobicContact CB-CG 4.37Å; I34-Y72 HydrophobicContact CD1-CD1 4.29Å; I34-Y72 HydrophobicContact CD1-CG 4.21Å; I34-Y72 HydrophobicContact CG1-CD1 4.19Å; I34-Q73 PolarHBondContact N-O 3.2Å; I34-Q73 VanDerWaalsContact N-O 3.11Å; I34-L74 HydrophobicContact CG2-CD2 3.81Å
35D85.8Confident82.2Confident72 Ų7295.8 Ų95.839%0.38544%0.441SS..PPolyproline II helixtrans-68.4143.2172.4171.123.2000110.4R37 F38D35-R37 PolarHBondContact O-N 2.7Å; D35-R37 IonicContact OD2-CZ 2.64Å; D35-R37 IonicContact OD2-NE 2.64Å; D35-R37 PolarHBondContact OD2-NE 2.85Å; D35-R37 IonicContact OD2-NH2 3.16Å; D35-R37 PolarHBondContact OD2-NH2 3.47Å; D35-F38 HydrophobicContact CB-CD2 4.1Å; D35-F38 PolarHBondContact O-N 3.05Å
36K82.7Confident82Confident165 Ų165100.7 Ų100.772%0.71745%0.453SS*.G310 helixtrans-56-28.1-172.4-62-171172.9-164.10113.7F38 Q39K36-F38 PolarHBondContact O-N 3.2Å; K36-Q39 VanDerWaalsContact CA-OE1 3.3Å
37R82.2Confident81.7Confident187 Ų187101.8 Ų101.871%0.70645%0.451SS*.G310 helixtrans-64.7-19.1175.1-65-179.8-66.7160.82.9114.1D35D35-R37 PolarHBondContact O-N 2.7Å; D35-R37 IonicContact OD2-CZ 2.64Å; D35-R37 IonicContact OD2-NE 2.64Å; D35-R37 PolarHBondContact OD2-NE 2.85Å; D35-R37 IonicContact OD2-NH2 3.16Å; D35-R37 PolarHBondContact OD2-NH2 3.47Å
38F80.9Confident81.9Confident91 Ų91101.6 Ų101.640%0.39945%0.45SS..G310 helixtrans-115.8-2.9-173.8-59.8-83.3000113.7I34 D35 K36 S40 M41I34-F38 HydrophobicContact CD1-CB 3.79Å; I34-F38 WeakPolarHBondContact CD1-O 3.49Å; I34-F38 HydrophobicContact CG1-CB 3.83Å; D35-F38 HydrophobicContact CB-CD2 4.1Å; D35-F38 PolarHBondContact O-N 3.05Å; K36-F38 PolarHBondContact O-N 3.2Å; F38-S40 PolarHBondContact O-N 3.18Å; F38-M41 HydrophobicContact CB-CE 4.04Å; F38-M41 HydrophobicContact CB-SD 4.36Å; F38-M41 HydrophobicContact CD1-CE 4.47Å; F38-M41 HydrophobicContact CD1-SD 3.99Å; F38-M41 WeakPolarHBondContact O-CB 3.46Å; F38-M41 WeakPolarHBondContact O-CG 3.43Å; F38-M41 PolarHBondContact O-N 3.37Å; F38-M41 VanDerWaalsContact O-N 3.09Å
39Q82.3Confident81.9Confident47 Ų4799.3 Ų99.322%0.2245%0.448CS..G310 helixtrans-55.9-34.2171.9-69.2176.5-66.200111.6I34 K36 M41 F42 H43 L74I34-Q39 HydrophobicContact CG2-CG 3.94Å; K36-Q39 VanDerWaalsContact CA-OE1 3.3Å; Q39-M41 PolarHBondContact O-N 3.26Å; Q39-M41 VanDerWaalsContact O-N 3.11Å; Q39-F42 PolarHBondContact O-N 2.94Å; Q39-H43 PolarHBondContact O-CD2 2.87Å; Q39-L74 HydrophobicContact CB-CD2 4.46Å; Q39-L74 HydrophobicContact CG-CD2 4.02Å
40S82.9Confident81.9Confident58 Ų58100.2 Ų100.241%0.40645%0.449SS..G310 helixtrans-56.8-23.7175.950.60000114.9F38 F42 H43 D44F38-S40 PolarHBondContact O-N 3.18Å; S40-F42 PolarHBondContact O-N 3.44Å; S40-F42 VanDerWaalsContact O-N 3.16Å; S40-H43 PolarHBondContact O-N 3.28Å; S40-H43 VanDerWaalsContact O-N 3.12Å; S40-D44 WeakPolarHBondContact O-CB 3.41Å; S40-D44 PolarHBondContact O-N 3.45Å
41M81.6Confident81.4Confident37 Ų3799.4 Ų99.418%0.18245%0.451CS..G310 helixtrans-65.7-16.1179-58.4-171.3-44.100113.5I34 F38 Q39 F47I34-M41 HydrophobicContact CD1-CE 4.22Å; F38-M41 HydrophobicContact CB-CE 4.04Å; F38-M41 HydrophobicContact CB-SD 4.36Å; F38-M41 HydrophobicContact CD1-CE 4.47Å; F38-M41 HydrophobicContact CD1-SD 3.99Å; F38-M41 WeakPolarHBondContact O-CB 3.46Å; F38-M41 WeakPolarHBondContact O-CG 3.43Å; F38-M41 PolarHBondContact O-N 3.37Å; F38-M41 VanDerWaalsContact O-N 3.09Å; Q39-M41 PolarHBondContact O-N 3.26Å; Q39-M41 VanDerWaalsContact O-N 3.11Å; M41-F47 HydrophobicContact CB-CB 4.35Å; M41-F47 HydrophobicContact CB-CG 4.28Å; M41-F47 HydrophobicContact CG-CD1 4.24Å; M41-F47 HydrophobicContact CG-CE1 4.46Å; M41-F47 HydrophobicContact CG-CG 4.27Å
42F82.1Confident80.8Confident10 Ų10100.6 Ų100.64%0.04446%0.464CS..G310 helixtrans-81.9-32.5173.6-70.3-71000113.1I34 Q39 S40 Q48 L68 R69 Y72 L74I34-F42 HydrophobicContact CD1-CD2 4.49Å; I34-F42 HydrophobicContact CD1-CE2 3.74Å; Q39-F42 PolarHBondContact O-N 2.94Å; S40-F42 PolarHBondContact O-N 3.44Å; S40-F42 VanDerWaalsContact O-N 3.16Å; F42-Q48 PolarHBondContact O-NE2 3.49Å; F42-L68 HydrophobicContact CD1-CB 4.3Å; F42-L68 HydrophobicContact CE1-CB 3.41Å; F42-L68 VanDerWaalsContact CE1-CB 3.41Å; F42-L68 HydrophobicContact CZ-CB 3.8Å; F42-R69 HydrophobicContact CD1-CG 4.03Å; F42-R69 HydrophobicContact CE1-CB 4.38Å; F42-R69 HydrophobicContact CE1-CG 3.8Å; F42-Y72 HydrophobicContact CZ-CD2 4.39Å; F42-L74 HydrophobicContact CD2-CD1 4.42Å; F42-L74 HydrophobicContact CD2-CD2 4.05Å; F42-L74 HydrophobicContact CE2-CD2 4.13Å; F42-L74 HydrophobicContact CE2-CG 4.42Å
43H81.7Confident80.5Confident136 Ų13699.8 Ų99.863%0.6346%0.459SS*.THydrogen-bonded Turntrans-110.8-24-166.7-48.1-82.7000113.8Q39 S40Q39-H43 PolarHBondContact O-CD2 2.87Å; S40-H43 PolarHBondContact O-N 3.28Å; S40-H43 VanDerWaalsContact O-N 3.12Å
44D85Confident80.1Confident52 Ų5296.6 Ų96.628%0.27845%0.447SS..  trans-84.8118.9178.1-179.3-2.8000110.7S40 R46 F47S40-D44 WeakPolarHBondContact O-CB 3.41Å; S40-D44 PolarHBondContact O-N 3.45Å; D44-R46 PolarHBondContact O-N 2.96Å; D44-R46 WeakPolarHBondContact OD1-CB 3.5Å; D44-R46 VanDerWaalsContact OD1-CG 3.24Å; D44-R46 WeakPolarHBondContact OD1-CG 3.49Å; D44-R46 PolarHBondContact OD1-N 3.48Å; D44-R46 WeakPolarHBondContact OD2-CD 3.42Å; D44-R46 IonicContact OD2-NE 3.97Å; D44-F47 HydrophobicContact CB-CD2 3.98Å; D44-F47 HydrophobicContact CB-CE2 4.28Å; D44-F47 PolarHBondContact O-N 2.94Å
45R79.3Confident79.7Confident214 Ų214105.8 Ų105.881%0.80849%0.487SS*.G310 helixtrans-53.1-21.4179-58.2-174.276.51756.9113.5F47 Q48R45-F47 PolarHBondContact O-N 3.17Å; R45-Q48 PolarHBondContact O-N 2.88Å
46R79.4Confident79.5Confident213 Ų213111.5 Ų111.580%0.80450%0.503SS*.G310 helixtrans-61.2-21.7173.5-65.3174-169.41790.8114.3D44D44-R46 PolarHBondContact O-N 2.96Å; D44-R46 WeakPolarHBondContact OD1-CB 3.5Å; D44-R46 VanDerWaalsContact OD1-CG 3.24Å; D44-R46 WeakPolarHBondContact OD1-CG 3.49Å; D44-R46 PolarHBondContact OD1-N 3.48Å; D44-R46 WeakPolarHBondContact OD2-CD 3.42Å; D44-R46 IonicContact OD2-NE 3.97Å
47F74.6Confident79.3Confident92 Ų92106.6 Ų106.640%0.40450%0.5SS..G310 helixtrans-109.1-5178.6-55.7-85.4000112.7M41 D44 R45 T49 T64M41-F47 HydrophobicContact CB-CB 4.35Å; M41-F47 HydrophobicContact CB-CG 4.28Å; M41-F47 HydrophobicContact CG-CD1 4.24Å; M41-F47 HydrophobicContact CG-CE1 4.46Å; M41-F47 HydrophobicContact CG-CG 4.27Å; D44-F47 HydrophobicContact CB-CD2 3.98Å; D44-F47 HydrophobicContact CB-CE2 4.28Å; D44-F47 PolarHBondContact O-N 2.94Å; R45-F47 PolarHBondContact O-N 3.17Å; F47-T49 PolarHBondContact O-N 3.27Å; F47-T64 WeakPolarHBondContact O-CB 3.35Å; F47-T64 WeakPolarHBondContact O-CG2 3.5Å
48Q78.1Confident79.4Confident80 Ų80104.9 Ų104.937%0.37449%0.493SS..  trans-91.579.5-178.2-65176.1-17.600111.4F42 R45F42-Q48 PolarHBondContact O-NE2 3.49Å; R45-Q48 PolarHBondContact O-N 2.88Å
49T78.5Confident79.5Confident86 Ų86106 Ų10653%0.52851%0.509SS..  trans-87.4127.2170.3-46.60000110.1F47 Q51 T64F47-T49 PolarHBondContact O-N 3.27Å; T49-Q51 PolarHBondContact O-N 3.15Å; T49-T64 PolarHBondContact O-N 2.9Å; T49-T64 PolarHBondContact O-OG1 2.93Å
50K75.4Confident79.3Confident153 Ų153106 Ų10667%0.66551%0.513SS*.BIsolated β-bridgetrans-73.4113163.6-70.3-165.1178.6-170.10107.1E95K50-E95 IonicContact NZ-OE2 3.97Å; K50-E95 PolarHBondContact NZ-OE2 2.87Å
51Q73.3Confident78.7Confident100 Ų100110.2 Ų110.247%0.46753%0.526SS..  trans-95.6101.6178.7-73-173.838.200109.9T49 V53 L62T49-Q51 PolarHBondContact O-N 3.15Å; Q51-V53 VanDerWaalsContact C-N 3.29Å; Q51-V53 PolarHBondContact O-N 2.92Å; Q51-L62 PolarHBondContact N-O 3.32Å
52T72.8Confident78.2Confident91 Ų91110.9 Ų110.956%0.55853%0.53SS*.  trans-73.3-12.3-173.552.50000114.9P59 V60T52-P59 VanDerWaalsContact O-CA 3.27Å; T52-P59 WeakPolarHBondContact O-CA 3.44Å; T52-V60 CarbonylContact C-O 3.55Å; T52-V60 WeakPolarHBondContact CA-O 3.46Å; T52-V60 PolarHBondContact O-N 3.05Å
53V79.9Confident77.9Confident75 Ų75112.6 Ų112.646%0.45554%0.543SS..BIsolated β-bridgetrans-144.3130.4-172.7-165.20000112.6Q51 R58Q51-V53 VanDerWaalsContact C-N 3.29Å; Q51-V53 PolarHBondContact O-N 2.92Å; V53-R58 CarbonylContact C-O 3.55Å; V53-R58 WeakPolarHBondContact CA-O 3.48Å; V53-R58 WeakPolarHBondContact CG1-O 3.31Å
54D77.5Confident77.7Confident53 Ų53107.4 Ų107.428%0.28352%0.521SS..  trans-63.3159.2170.2174.933.5000111.8R56 G57 R58 V60D54-R56 PolarHBondContact O-N 3.3Å; D54-R56 WeakPolarHBondContact OD2-CB 3.28Å; D54-G57 PolarHBondContact O-N 3.05Å; D54-R58 PolarHBondContact N-O 2.81Å; D54-V60 HydrophobicContact CB-CG2 3.96Å
55K78.4Confident77.4Confident210 Ų210105.5 Ų105.591%0.91351%0.513SS*.THydrogen-bonded Turntrans-55-2.1172.7-58.6-176.8-179.5-176.60115
56R81.7Confident77.4Confident191 Ų19197.1 Ų97.172%0.72149%0.489SS*.THydrogen-bonded Turntrans-120.618-179.8-60.9166.4172.7136.5-7.4112.7D54 R58D54-R56 PolarHBondContact O-N 3.3Å; D54-R56 WeakPolarHBondContact OD2-CB 3.28Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R56-R58 PolarHBondContact O-N 3.1Å
57G78.3Confident77.6Confident63 Ų6389.1 Ų89.165%0.64946%0.462SS*.SBendtrans71.121.6174.100000115.1D54D54-G57 PolarHBondContact O-N 3.05Å
58R83.6Confident78Confident151 Ų15186.5 Ų86.557%0.5745%0.452SS*.  trans-101.2136.4175.9-85.3-178.7-75.1-172.6-4.9110.5V53 D54 R56V53-R58 CarbonylContact C-O 3.55Å; V53-R58 WeakPolarHBondContact CA-O 3.48Å; V53-R58 WeakPolarHBondContact CG1-O 3.31Å; D54-R58 PolarHBondContact N-O 2.81Å; R56-R58 VanDerWaalsContact C-N 3.34Å; R56-R58 PolarHBondContact O-N 3.1Å
59P82.8Confident78.2Confident113 Ų11388.4 Ų88.473%0.73446%0.456SS*.BIsolated β-bridgetrans-63139.817528.2-34.5000110.3T52T52-P59 VanDerWaalsContact O-CA 3.27Å; T52-P59 WeakPolarHBondContact O-CA 3.44Å
60V78.9Confident78.5Confident49 Ų4988.5 Ų88.530%0.29745%0.447SS..  trans-147.7128.4-179.1172.40000108T52 D54 L62T52-V60 CarbonylContact C-O 3.55Å; T52-V60 WeakPolarHBondContact CA-O 3.46Å; T52-V60 PolarHBondContact O-N 3.05Å; D54-V60 HydrophobicContact CB-CG2 3.96Å; V60-L62 HydrophobicContact CG1-CB 3.89Å; V60-L62 HydrophobicContact CG1-CD1 3.73Å; V60-L62 HydrophobicContact CG1-CG 3.55Å; V60-L62 PolarHBondContact O-N 3.38Å
61Q69.4Low78.8Confident146 Ų14687.5 Ų87.568%0.68244%0.442SS*.  trans-90.497.2165.4-54.9-63.938.800108.1
62L70.9Confident79.4Confident51 Ų5186.5 Ų86.527%0.26744%0.435SS..  trans-142.6130.9169.6-75.1179.9000110.7Q51 V60Q51-L62 PolarHBondContact N-O 3.32Å; V60-L62 HydrophobicContact CG1-CB 3.89Å; V60-L62 HydrophobicContact CG1-CD1 3.73Å; V60-L62 HydrophobicContact CG1-CG 3.55Å; V60-L62 PolarHBondContact O-N 3.38Å
63S76.8Confident79.8Confident46 Ų4683.6 Ų83.632%0.32242%0.415SS..BIsolated β-bridgetrans-81.1147.2170.772.90000110.8A65 A66 D67S63-A65 PolarHBondContact O-N 2.69Å; S63-A66 PolarHBondContact O-N 2.64Å; S63-A66 VanDerWaalsContact O-N 3.1Å; S63-A66 WeakPolarHBondContact OG-CB 3.46Å; S63-A66 PolarHBondContact OG-N 3.1Å; S63-D67 PolarHBondContact O-N 3.13Å; S63-D67 VanDerWaalsContact O-N 3.14Å
64T77.9Confident79.7Confident27 Ų2783.5 Ų83.517%0.16641%0.411CS..Hα-helixtrans-58.6-32.5176.9-61.70000111.9F47 T49 D67 L68F47-T64 WeakPolarHBondContact O-CB 3.35Å; F47-T64 WeakPolarHBondContact O-CG2 3.5Å; T49-T64 PolarHBondContact O-N 2.9Å; T49-T64 PolarHBondContact O-OG1 2.93Å; T64-D67 PolarHBondContact O-N 3.41Å; T64-L68 HydrophobicContact CG2-CD1 4.01Å; T64-L68 HydrophobicContact CG2-CG 4.4Å; T64-L68 WeakPolarHBondContact O-CB 3.24Å; T64-L68 VanDerWaalsContact O-CG 3.26Å; T64-L68 WeakPolarHBondContact O-CG 3.4Å; T64-L68 PolarHBondContact O-N 2.76Å
65A77.6Confident78.8Confident12 Ų1286.3 Ų86.310%0.09942%0.423CS..Hα-helixtrans-64.7-45.6173.900000112.6S63 D67 L68 R69S63-A65 PolarHBondContact O-N 2.69Å; A65-D67 VanDerWaalsContact C-N 3.29Å; A65-D67 PolarHBondContact O-N 2.93Å; A65-L68 PolarHBondContact O-N 2.9Å; A65-R69 WeakPolarHBondContact O-CG 3.11Å; A65-R69 PolarHBondContact O-N 3.46Å
66A79.6Confident77.2Confident37 Ų3784.4 Ų84.431%0.30642%0.417SS..Hα-helixtrans-64.8-30.717800000113S63S63-A66 PolarHBondContact O-N 2.64Å; S63-A66 VanDerWaalsContact O-N 3.1Å; S63-A66 WeakPolarHBondContact OG-CB 3.46Å; S63-A66 PolarHBondContact OG-N 3.1Å
67D82.8Confident75.3Confident45 Ų4581.3 Ų81.324%0.24141%0.411CS..Hα-helixtrans-73.5-44.4171.6-101.1-30.5000112.3S63 T64 A65 R69 R70 F71S63-D67 PolarHBondContact O-N 3.13Å; S63-D67 VanDerWaalsContact O-N 3.14Å; T64-D67 PolarHBondContact O-N 3.41Å; A65-D67 VanDerWaalsContact C-N 3.29Å; A65-D67 PolarHBondContact O-N 2.93Å; D67-R69 VanDerWaalsContact C-N 3.28Å; D67-R69 PolarHBondContact O-N 3.48Å; D67-R70 VanDerWaalsContact O-CB 3.28Å; D67-R70 WeakPolarHBondContact O-CB 3.49Å; D67-R70 PolarHBondContact O-N 2.91Å; D67-R70 VanDerWaalsContact O-N 3.07Å; D67-R70 IonicContact OD1-CZ 3.95Å; D67-R70 IonicContact OD1-NE 2.79Å; D67-R70 PolarHBondContact OD1-NE 3.08Å; D67-R70 IonicContact OD1-NH1 3.12Å; D67-R70 PolarHBondContact OD1-NH1 2.66Å; D67-R70 IonicContact OD1-NH2 3.15Å; D67-F71 WeakPolarHBondContact O-CD2 3.27Å
68L83Confident73.2Confident37 Ų3786 Ų8619%0.19442%0.416CS..Hα-helixtrans-61.4-35.3175.1-70.6169.3000112F42 T64 A65 R70 F71 Y72F42-L68 HydrophobicContact CD1-CB 4.3Å; F42-L68 HydrophobicContact CE1-CB 3.41Å; F42-L68 VanDerWaalsContact CE1-CB 3.41Å; F42-L68 HydrophobicContact CZ-CB 3.8Å; T64-L68 HydrophobicContact CG2-CD1 4.01Å; T64-L68 HydrophobicContact CG2-CG 4.4Å; T64-L68 WeakPolarHBondContact O-CB 3.24Å; T64-L68 VanDerWaalsContact O-CG 3.26Å; T64-L68 WeakPolarHBondContact O-CG 3.4Å; T64-L68 PolarHBondContact O-N 2.76Å; A65-L68 PolarHBondContact O-N 2.9Å; L68-R70 PolarHBondContact O-N 3.39Å; L68-F71 PolarHBondContact O-N 3.16Å; L68-F71 VanDerWaalsContact O-N 3.09Å; L68-Y72 HydrophobicContact CB-CD2 4.49Å; L68-Y72 HydrophobicContact CD2-CD2 4.22Å; L68-Y72 HydrophobicContact CD2-CE2 3.81Å; L68-Y72 PolarHBondContact O-N 3.07Å
69R83.5Confident71Confident121 Ų12187.6 Ų87.646%0.45743%0.43SS..Hα-helixtrans-60.7-14.3176.3-79.8-175.5-176.3179.79.5111.9K31 F42 A65 D67K31-R69 VanDerWaalsContact CE-O 3.26Å; K31-R69 WeakPolarHBondContact CE-O 3.4Å; K31-R69 PolarHBondContact NZ-O 3.02Å; F42-R69 HydrophobicContact CD1-CG 4.03Å; F42-R69 HydrophobicContact CE1-CB 4.38Å; F42-R69 HydrophobicContact CE1-CG 3.8Å; A65-R69 WeakPolarHBondContact O-CG 3.11Å; A65-R69 PolarHBondContact O-N 3.46Å; D67-R69 VanDerWaalsContact C-N 3.28Å; D67-R69 PolarHBondContact O-N 3.48Å
70R84Confident69Low88 Ų8889.9 Ų89.933%0.33244%0.436SS..Hα-helixtrans-82.1-33.2175.8-58.6171.3-174.9173.70113.4D67 L68D67-R70 VanDerWaalsContact O-CB 3.28Å; D67-R70 WeakPolarHBondContact O-CB 3.49Å; D67-R70 PolarHBondContact O-N 2.91Å; D67-R70 VanDerWaalsContact O-N 3.07Å; D67-R70 IonicContact OD1-CZ 3.95Å; D67-R70 IonicContact OD1-NE 2.79Å; D67-R70 PolarHBondContact OD1-NE 3.08Å; D67-R70 IonicContact OD1-NH1 3.12Å; D67-R70 PolarHBondContact OD1-NH1 2.66Å; D67-R70 IonicContact OD1-NH2 3.15Å; L68-R70 PolarHBondContact O-N 3.39Å
71F81.9Confident67.1Low132 Ų13294.9 Ų94.958%0.57946%0.456SS*.Hα-helixtrans-97-29.7-172.8-64.2-77.6000113.4K31 V32 D67 L68K31-F71 CarbonylContact C-O 3.57Å; K31-F71 WeakPolarHBondContact CA-O 3.15Å; V32-F71 PolarHBondContact N-O 3.28Å; D67-F71 WeakPolarHBondContact O-CD2 3.27Å; L68-F71 PolarHBondContact O-N 3.16Å; L68-F71 VanDerWaalsContact O-N 3.09Å
72Y86.3Confident65.6Low78 Ų7896.6 Ų96.631%0.30646%0.464SS..EExtended strand (participates in β ladder)trans-107148.8-174.6-63.2-77000113.7K31 V32 I34 F42 L68K31-Y72 WeakPolarHBondContact CD-O 3.47Å; K31-Y72 PolarHBondContact NZ-O 3.34Å; V32-Y72 HydrophobicContact CB-CD1 4.14Å; V32-Y72 HydrophobicContact CB-CE1 4.3Å; V32-Y72 HydrophobicContact CG1-CE1 4.43Å; V32-Y72 CarbonylContact O-C 3.52Å; V32-Y72 VanDerWaalsContact O-CA 3.23Å; V32-Y72 WeakPolarHBondContact O-CA 3.46Å; V32-Y72 WeakPolarHBondContact O-CD1 3.24Å; I34-Y72 HydrophobicContact CB-CD1 4.03Å; I34-Y72 HydrophobicContact CB-CG 4.37Å; I34-Y72 HydrophobicContact CD1-CD1 4.29Å; I34-Y72 HydrophobicContact CD1-CG 4.21Å; I34-Y72 HydrophobicContact CG1-CD1 4.19Å; F42-Y72 HydrophobicContact CZ-CD2 4.39Å; L68-Y72 HydrophobicContact CB-CD2 4.49Å; L68-Y72 HydrophobicContact CD2-CD2 4.22Å; L68-Y72 HydrophobicContact CD2-CE2 3.81Å; L68-Y72 PolarHBondContact O-N 3.07Å
73Q81.3Confident64.1Low31 Ų31101.5 Ų101.515%0.14548%0.483CS..EExtended strand (participates in β ladder)trans-104.3124.5165.8-176.9179.713.200108.6K31 V32 I34K31-Q73 HydrophobicContact CB-CB 3.94Å; K31-Q73 HydrophobicContact CD-CB 4.49Å; V32-Q73 PolarHBondContact O-N 3.41Å; I34-Q73 PolarHBondContact N-O 3.2Å; I34-Q73 VanDerWaalsContact N-O 3.11Å
74L78.6Confident62.3Low72 Ų72105.9 Ų105.938%0.37750%0.499SS..  trans-81.9130.4164.8-68.5159.5000107.6I34 Q39 F42 E76I34-L74 HydrophobicContact CG2-CD2 3.81Å; Q39-L74 HydrophobicContact CB-CD2 4.46Å; Q39-L74 HydrophobicContact CG-CD2 4.02Å; F42-L74 HydrophobicContact CD2-CD1 4.42Å; F42-L74 HydrophobicContact CD2-CD2 4.05Å; F42-L74 HydrophobicContact CE2-CD2 4.13Å; F42-L74 HydrophobicContact CE2-CG 4.42Å; L74-E76 PolarHBondContact O-N 2.94Å
75E58.5Low60.5Low112 Ų112110.9 Ų110.952%0.52352%0.52SS..  trans-98.568.6-179.4-71.9-160.3114.300112.1K33K33-E75 HydrophobicContact CD-CG 4.23Å; K33-E75 WeakPolarHBondContact CD-OE1 3.42Å; K33-E75 VanDerWaalsContact CE-OE1 3.24Å; K33-E75 WeakPolarHBondContact CE-OE1 3.22Å; K33-E75 HydrophobicContact CG-CG 4.28Å; K33-E75 IonicContact NZ-OE1 2.94Å; K33-E75 PolarHBondContact NZ-OE1 2.92Å
76E44.2Very low58.6Low170 Ų170116.9 Ų116.979%0.79455%0.546SS*.  trans-131.2111.6159.1-63.6-168.615500107.8L74L74-E76 PolarHBondContact O-N 2.94Å
77E41Very low56.5Low127 Ų127120.5 Ų120.559%0.59356%0.56SS**  trans-117.6139.4170.1-71.6176.515400104.4K28K28-E77 IonicContact NZ-OE1 2.66Å; K28-E77 PolarHBondContact NZ-OE1 3.38Å
78E35.2Very low54.6Low161 Ų161124.2 Ų124.275%0.75258%0.576SS**  cis-161.4163.519.9-129.1165.5-165.900110.6
79E38Very low52.5Low184 Ų184129.5 Ų129.586%0.8660%0.6SS**SBendtrans78136.1168.2-57.9-176.6147.200120.5
80D39.2Very low50.5Low162 Ų162130.9 Ų130.987%0.86661%0.612SS**  trans75.638.1163.6-74.2-1.2000122.2
81E40Very low48.5Very low153 Ų153133.9 Ų133.972%0.71563%0.63SS**  trans-116.618.3163-81.9174.9-168.900114.6K83 E84E81-K83 PolarHBondContact O-N 3.44Å; E81-E84 PolarHBondContact O-N 3.3Å
82E37.7Very low46.6Very low182 Ų182134.7 Ų134.785%0.8564%0.635SS**THydrogen-bonded Turntrans-68.951.3169.9-63.9-173.1154.600112.4
83K39.8Very low44.5Very low155 Ų155136.7 Ų136.767%0.67465%0.651SS**THydrogen-bonded Turntrans-154-35.1177.9-76.8-158.3168.8-166.90114.4E81 E86 D87E81-K83 PolarHBondContact O-N 3.44Å; K83-E86 PolarHBondContact O-N 2.96Å; K83-D87 PolarHBondContact O-N 2.95Å
84E38.7Very low42.7Very low137 Ų137142.3 Ų142.364%0.6468%0.677SS**Hα-helixtrans-79.6-27.1178.8-60-166176.800110.7E81 D87 E88E81-E84 PolarHBondContact O-N 3.3Å; E84-D87 PolarHBondContact O-N 2.99Å; E84-E88 PolarHBondContact O-N 3.18Å
85E40.1Very low41.3Very low132 Ų132145 Ų14562%0.61769%0.688SS**Hα-helixtrans-74.8-16.3166.2-67.2-165.2151.600113.7E89E85-E89 PolarHBondContact O-N 2.98Å
86E36.9Very low40.5Very low138 Ų138146.2 Ų146.265%0.64569%0.694SS**Hα-helixtrans-77.9-37168.2-77.7-169.414700111.1K83 E90K83-E86 PolarHBondContact O-N 2.96Å; E86-E90 PolarHBondContact O-N 2.86Å
87D35.9Very low40.7Very low114 Ų114145.6 Ų145.661%0.6169%0.691SS**Hα-helixtrans-71.8-32.6174.3-71-19.6000111.9K83 E84 E91K83-D87 PolarHBondContact O-N 2.95Å; E84-D87 PolarHBondContact O-N 2.99Å; D87-E91 PolarHBondContact O-N 3.45Å
88E43.8Very low40.9Very low122 Ų122147 Ų14757%0.5770%0.697SS**Hα-helixtrans-70.8-32.4172.6-76.9-166.9165.700113.1E84 E92E84-E88 PolarHBondContact O-N 3.18Å; E88-E92 PolarHBondContact O-N 2.92Å; E88-E92 VanDerWaalsContact O-N 3.15Å
89E38.8Very low41.6Very low148 Ų148144.4 Ų144.469%0.69269%0.688SS**Hα-helixtrans-71.4-29.7173.8-78.4-167.5169.200112.4E85 D93E85-E89 PolarHBondContact O-N 2.98Å; E89-D93 PolarHBondContact O-N 2.78Å
90E41.4Very low41.9Very low151 Ų151143.2 Ų143.271%0.70668%0.683SS**Hα-helixtrans-71.2-32.7173.1-74.1-164.116900113E86 E94E86-E90 PolarHBondContact O-N 2.86Å; E90-E94 PolarHBondContact O-N 3.49Å
91E40.5Very low42.4Very low151 Ų151143 Ų14371%0.70668%0.677SS**Hα-helixtrans-80.4-27.4174.2-74.3-164-171.800113.9D87 E95D87-E91 PolarHBondContact O-N 3.45Å; E91-E95 PolarHBondContact O-N 3.13Å; E91-E95 VanDerWaalsContact O-N 3.09Å
92E42.9Very low42.9Very low149 Ų149143 Ų14370%0.69668%0.677SS**Hα-helixtrans-70-35.1169.2-77.7-160.2156.200112E88 E95 E96E88-E92 PolarHBondContact O-N 2.92Å; E88-E92 VanDerWaalsContact O-N 3.15Å; E92-E95 PolarHBondContact O-N 2.96Å; E92-E96 PolarHBondContact O-N 2.9Å; E92-E96 VanDerWaalsContact O-N 3.13Å
93D42.8Very low43.5Very low119 Ų119141.6 Ų141.664%0.63667%0.67SS**Hα-helixtrans-68.6-33.2173.1-951.8000112.1E89 E97E89-D93 PolarHBondContact O-N 2.78Å; D93-E97 PolarHBondContact O-N 2.99Å
94E43.9Very low43.9Very low149 Ų149139.4 Ų139.470%0.69666%0.662SS**Hα-helixtrans-72.8-33.9172.2-74.4-162.8166.100113E90 E98E90-E94 PolarHBondContact O-N 3.49Å; E94-E98 PolarHBondContact O-N 3.48Å
95E47.5Very low44.5Very low129 Ų129137.9 Ų137.960%0.60366%0.655SS**Hα-helixtrans-66-37.7170.7-88.1-161.3-170.600112.1K50 E91 E92 D99K50-E95 IonicContact NZ-OE2 3.97Å; K50-E95 PolarHBondContact NZ-OE2 2.87Å; E91-E95 PolarHBondContact O-N 3.13Å; E91-E95 VanDerWaalsContact O-N 3.09Å; E92-E95 PolarHBondContact O-N 2.96Å; E95-D99 PolarHBondContact O-N 3.06Å
96E42.2Very low44.9Very low138 Ų138135.4 Ų135.465%0.64565%0.646SS**Hα-helixtrans-71.4-32.7179.8-74.7-156.4166.800113.7E92 E100E92-E96 PolarHBondContact O-N 2.9Å; E92-E96 VanDerWaalsContact O-N 3.13Å; E96-E100 PolarHBondContact O-N 3.38Å
97E48.4Very low45.6Very low156 Ų156131.9 Ų131.973%0.72963%0.634SS**Hα-helixtrans-76-29.2175.6-68.7-125.2171.600113.4D93 E101D93-E97 PolarHBondContact O-N 2.99Å; E97-E101 PolarHBondContact O-N 2.97Å
98E45.1Very low46.3Very low156 Ų156130.7 Ų130.773%0.72963%0.625SS**Hα-helixtrans-69.4-38.9171.4-73.4-157.2154.500112.2E94 E100 E101 E102E94-E98 PolarHBondContact O-N 3.48Å; E98-E100 PolarHBondContact O-N 2.86Å; E98-E101 PolarHBondContact O-N 3.37Å; E98-E102 PolarHBondContact O-N 2.89Å
99D49.6Very low46.6Very low107 Ų107133 Ų13357%0.57263%0.628SS**Hα-helixtrans-64.3-36.8176.2-108.7-0.5000111.8E95 E103E95-D99 PolarHBondContact O-N 3.06Å; D99-E103 PolarHBondContact O-N 2.91Å
100E45.8Very low47.2Very low159 Ų159132.7 Ų132.774%0.74363%0.627SS**Hα-helixtrans-70.3-32.6175.1-76.1-150.6166.700113.4E96 E98 E104E96-E100 PolarHBondContact O-N 3.38Å; E98-E100 PolarHBondContact O-N 2.86Å; E100-E104 PolarHBondContact O-N 2.86Å
101E49.6Very low47.6Very low157 Ų157132.6 Ų132.673%0.73462%0.624SS**Hα-helixtrans-70.9-37.4174.5-74.8-145.8152.900112.8E97 E98 E105E97-E101 PolarHBondContact O-N 2.97Å; E98-E101 PolarHBondContact O-N 3.37Å; E101-E105 PolarHBondContact O-N 2.79Å; E101-E105 VanDerWaalsContact O-N 3.15Å
102E50.2Low47.9Very low153 Ų153131.9 Ų131.972%0.71562%0.618SS**Hα-helixtrans-69.1-41.6178-73.8-134.414800113.1E98 E105 D106E98-E102 PolarHBondContact O-N 2.89Å; E102-E105 PolarHBondContact O-N 2.92Å; E102-D106 PolarHBondContact O-N 2.86Å
103E48.8Very low47.6Very low153 Ų153133.1 Ų133.172%0.71562%0.624SS**Hα-helixtrans-64.1-40.3176.9-79.2-144.4159.900112.1D99 V107D99-E103 PolarHBondContact O-N 2.91Å; E103-V107 VanDerWaalsContact O-CB 3.22Å; E103-V107 WeakPolarHBondContact O-CB 3.24Å; E103-V107 WeakPolarHBondContact O-CG2 3.44Å; E103-V107 PolarHBondContact O-N 2.88Å
104E49.9Very low47.8Very low110 Ų110135.7 Ų135.751%0.51464%0.637SS.*Hα-helixtrans-65.5-38.7175.8-92.9-76.3155.400112.2E100 Q108E100-E104 PolarHBondContact O-N 2.86Å; E104-Q108 VanDerWaalsContact O-CB 3.25Å; E104-Q108 WeakPolarHBondContact O-CB 3.41Å; E104-Q108 VanDerWaalsContact O-CG 3.25Å; E104-Q108 WeakPolarHBondContact O-CG 3.18Å; E104-Q108 PolarHBondContact O-N 3.46Å; E104-Q108 PolarHBondContact OE2-NE2 2.83Å
105E49.9Very low47.2Very low104 Ų104131.9 Ų131.949%0.48664%0.637SS.*Hα-helixtrans-61.8-51.2178.2-95.9-89.7141.100112.7E101 E102 Q108 R109E101-E105 PolarHBondContact O-N 2.79Å; E101-E105 VanDerWaalsContact O-N 3.15Å; E102-E105 PolarHBondContact O-N 2.92Å; E105-Q108 PolarHBondContact O-N 3.35Å; E105-R109 WeakPolarHBondContact O-CB 3.38Å; E105-R109 VanDerWaalsContact O-CG 3.22Å; E105-R109 WeakPolarHBondContact O-CG 3.5Å; E105-R109 PolarHBondContact O-N 2.79Å; E105-R109 IonicContact OE2-CZ 3.4Å; E105-R109 IonicContact OE2-NE 2.85Å; E105-R109 PolarHBondContact OE2-NE 2.75Å; E105-R109 IonicContact OE2-NH2 3.79Å; E105-R109 PolarHBondContact OE2-NH2 3.01Å
106D48.3Very low46.4Very low81 Ų81137.6 Ų137.643%0.43365%0.653SS.*Hα-helixtrans-69.2-41.8-179.2-172.343.7000112.1E102 Q108 R109 Q110E102-D106 PolarHBondContact O-N 2.86Å; D106-Q108 PolarHBondContact O-N 3.18Å; D106-R109 PolarHBondContact O-N 2.97Å; D106-R109 VanDerWaalsContact O-N 3.1Å; D106-Q110 VanDerWaalsContact CG-NE2 3.31Å; D106-Q110 PolarHBondContact O-N 2.92Å; D106-Q110 WeakPolarHBondContact OD1-CG 3.31Å; D106-Q110 PolarHBondContact OD1-NE2 2.84Å; D106-Q110 PolarHBondContact OD2-NE2 2.74Å
107V52.3Low45.7Very low63 Ų63134.3 Ų134.338%0.38266%0.656SS.*Hα-helixtrans-59.8-35.1176.7174.20000111.4E103 K111E103-V107 VanDerWaalsContact O-CB 3.22Å; E103-V107 WeakPolarHBondContact O-CB 3.24Å; E103-V107 WeakPolarHBondContact O-CG2 3.44Å; E103-V107 PolarHBondContact O-N 2.88Å; V107-K111 HydrophobicContact CG1-CD 4.3Å; V107-K111 VanDerWaalsContact O-CD 3.32Å; V107-K111 WeakPolarHBondContact O-CD 3.39Å; V107-K111 WeakPolarHBondContact O-CG 3.35Å
108Q50.4Low44.8Very low89 Ų89132.6 Ų132.642%0.41666%0.661SS.*Hα-helixtrans-80-31.8173.9-74.7-164.146.800114.3E104 E105 D106 K112E104-Q108 VanDerWaalsContact O-CB 3.25Å; E104-Q108 WeakPolarHBondContact O-CB 3.41Å; E104-Q108 VanDerWaalsContact O-CG 3.25Å; E104-Q108 WeakPolarHBondContact O-CG 3.18Å; E104-Q108 PolarHBondContact O-N 3.46Å; E104-Q108 PolarHBondContact OE2-NE2 2.83Å; E105-Q108 PolarHBondContact O-N 3.35Å; D106-Q108 PolarHBondContact O-N 3.18Å; Q108-K112 WeakPolarHBondContact O-CD 3.11Å; Q108-K112 WeakPolarHBondContact O-CG 3.36Å
109R50.8Low44Very low171 Ų171136.7 Ų136.765%0.64567%0.67SS**Hα-helixtrans-67.6-54.2178.8-79.6172.4-178.7-144.16.9111.7E105 D106 K111 K112E105-R109 WeakPolarHBondContact O-CB 3.38Å; E105-R109 VanDerWaalsContact O-CG 3.22Å; E105-R109 WeakPolarHBondContact O-CG 3.5Å; E105-R109 PolarHBondContact O-N 2.79Å; E105-R109 IonicContact OE2-CZ 3.4Å; E105-R109 IonicContact OE2-NE 2.85Å; E105-R109 PolarHBondContact OE2-NE 2.75Å; E105-R109 IonicContact OE2-NH2 3.79Å; E105-R109 PolarHBondContact OE2-NH2 3.01Å; D106-R109 PolarHBondContact O-N 2.97Å; D106-R109 VanDerWaalsContact O-N 3.1Å; R109-K111 VanDerWaalsContact C-N 3.32Å; R109-K111 PolarHBondContact O-N 3.27Å; R109-K112 PolarHBondContact O-N 2.91Å
110Q50.5Low43Very low142 Ų142135.9 Ų135.966%0.66468%0.678SS**Hα-helixtrans-66.4-32.3-173.9-61-167.429.400113D106 K112D106-Q110 VanDerWaalsContact CG-NE2 3.31Å; D106-Q110 PolarHBondContact O-N 2.92Å; D106-Q110 WeakPolarHBondContact OD1-CG 3.31Å; D106-Q110 PolarHBondContact OD1-NE2 2.84Å; D106-Q110 PolarHBondContact OD2-NE2 2.74Å; Q110-K112 PolarHBondContact O-N 3.41Å
111K49.7Very low42.1Very low149 Ų149132.4 Ų132.465%0.64868%0.677SS**Hα-helixtrans-75.9-17-178.7-68.4175.6-171.2166.10114.3V107 R109V107-K111 HydrophobicContact CG1-CD 4.3Å; V107-K111 VanDerWaalsContact O-CD 3.32Å; V107-K111 WeakPolarHBondContact O-CD 3.39Å; V107-K111 WeakPolarHBondContact O-CG 3.35Å; R109-K111 VanDerWaalsContact C-N 3.32Å; R109-K111 PolarHBondContact O-N 3.27Å
112K47.1Very low41.1Very low135 Ų135133 Ų13359%0.58768%0.68SS**THydrogen-bonded Turntrans-79.4-15.4-171.2-88.1169.1-172.91490115.9Q108 R109 Q110Q108-K112 WeakPolarHBondContact O-CD 3.11Å; Q108-K112 WeakPolarHBondContact O-CG 3.36Å; R109-K112 PolarHBondContact O-N 2.91Å; Q110-K112 PolarHBondContact O-N 3.41Å
113H36.8Very low40.1Very low176 Ų176132.5 Ų132.582%0.81568%0.675SS**THydrogen-bonded Turntrans-129.748.4-175.8-82.3-59.5000117.2G115H113-G115 PolarHBondContact O-N 3.46Å
114L47.7Very low39.2Very low173 Ų173130.2 Ų130.291%0.90667%0.668SS**  trans-53.2115152.3-75.3157.5000110.5
115G30.2Very low38.2Very low68 Ų68132.3 Ų132.370%0.70168%0.678SS**  trans-14223.5-148.900000122.3H113 G117H113-G115 PolarHBondContact O-N 3.46Å; G115-G117 PolarHBondContact O-N 3.08Å
116R31.8Very low37.3Very low250 Ų250136 Ų13694%0.94370%0.695SS**  trans64.742150.5-152.3-175.870.1-154.82.2120.8
117G27.7Very low36.3Very low68 Ų68140 Ų14070%0.70171%0.711SS**  trans68.4-176.7137.500000123.3G115G115-G117 PolarHBondContact O-N 3.08Å
118S29.6Very low35.3Very low120 Ų120142.1 Ų142.184%0.83972%0.724SS**  trans84109.7172.672.90000121.7
119R26.9Very low34.2Very low242 Ų242146.2 Ų146.291%0.91374%0.743SS**  73.3106121.7-167.4177.2-174.9174.42.9121.9
120A28Very low33.2Very low90 Ų90144.9 Ų144.974%0.74474%0.744SS**  trans89.4142.1134.500000123.3
121A28.5Very low32.4Very low87 Ų87145.4 Ų145.472%0.71975%0.746SS**  trans84.4123141.200000122.8
122E28Very low31.5Very low169 Ų169143.4 Ų143.479%0.7975%0.751SS**  trans63.2119.6134-66.4-165.1117.800123.9
123K30.2Very low30.8Very low143 Ų143140.3 Ų140.362%0.62276%0.757SS**  84141.3119.9-80.9-175.1134.2-71.10123.6
124D28.8Very low30.5Very low105 Ų105139 Ų13956%0.56176%0.757SS**  trans58.3158142.7-48.4-8.5000120
125E29.4Very low29.9Very low154 Ų154137 Ų13772%0.7275%0.746SS**  cis-166.6144.4-21.8-105.4164.3-171.500108.2
126E30.5Very low30.3Very low182 Ų182140 Ų14085%0.8575%0.747SS**  trans52.4177.6157.5-53.6-169.7147.200119.6
127E28.3Very low30.6Very low163 Ų163135.2 Ų135.276%0.76274%0.735SS**  cis-144.6132.7-0.1-125.9-171.3149.600107
128V31.2Very low31.2Very low109 Ų109138 Ų13866%0.66173%0.734SS**  69.7125.793-179.70000118.8
129E26.3Very low31.7Very low174 Ų174139.1 Ų139.181%0.81373%0.73SS**  trans177.6124.8130.4-95.3-167179.800108.9
130H30.6Very low32.2Very low143 Ų143134.1 Ų134.166%0.66272%0.722SS**  74144.777.1-69.9-22.5000114.9
131Q32.7Very low32.7Very low153 Ų153137.4 Ų137.472%0.71573%0.727SS**  cis-168.1172.7-3.5-107.1172.249.800107.4
132S31.7Very low33.1Very low108 Ų108140.7 Ų140.776%0.75573%0.732SS**  cis-175.4158-648.60000110.8
133G31.1Very low33.6Very low69 Ų69140 Ų14071%0.71173%0.734SS**  trans112.1146.1158.300000117
134D31.9Very low34Very low150 Ų150140.5 Ų140.580%0.80274%0.743SS**  cis-155152.84.3-111-159.7000112.1
135D34.7Very low34.5Very low129 Ų129142.5 Ų142.569%0.6975%0.754SS**  trans35.7124.1148.8-71.6-148.7000122.3
136D38.4Very low34.8Very low133 Ų133142.6 Ų142.671%0.71176%0.76SS**  85.7149.172.1-90.9-54000114.1
137H38.2Very low35.3Very low149 Ų149142 Ų14269%0.6976%0.757SS**  cis-160.6150.715.8-147.444.2000112.2
138D41.3Very low35.8Very low127 Ų127142.1 Ų142.168%0.67976%0.757SS**  trans18.1152.9132.6-68.37.1000122.4
139D40.1Very low36Very low143 Ų143142.6 Ų142.677%0.76577%0.765SS**  cis-170.8-167.4-8.8-158.9-5000110.3
140D36.7Very low36.6Very low137 Ų137137.5 Ų137.573%0.73376%0.759SS**  trans7992.2156.9-74.5-35000122.6
141D38.2Very low36.7Very low159 Ų159138.9 Ų138.985%0.8577%0.771SS**  57.2161.5109.1-127-7.7000127.6
142D36.4Very low37Very low155 Ų155138.9 Ų138.983%0.82978%0.776SS**  trans97.6150.8154.3-125.7-19.4000123.1
143D39.3Very low37.3Very low154 Ų154139.1 Ų139.182%0.82478%0.778SS**  trans-88.3165.9-161.3-108.9-31.6000117.2
144D38Very low38.1Very low154 Ų154145.2 Ų145.282%0.82479%0.787SS**  160.2167110.9-146.4-7.4000114.5
145D38.6Very low38.5Very low148 Ų148144 Ų14479%0.79178%0.781SS**  trans-66.9156.2-173.1-113.4-25.1000117.4
146D35.8Very low39.4Very low156 Ų156145.6 Ų145.683%0.83479%0.789SS**  -169.9165124-140.4-24.2000113.9
147E41.7Very low39.9Very low170 Ų170144 Ų14479%0.79479%0.789SS**  trans-92.7164.6-170.9-67.2-172.5142.200117
148E39.5Very low40.9Very low164 Ų164139.5 Ų139.577%0.76678%0.783SS**  trans57.9117144.6-80.4-80.8-156.800121.8
149S34.9Very low41.8Very low119 Ų119138 Ų13883%0.83278%0.78SS**  -173129.4124.635.90000113.3
150G39.4Very low42.8Very low67 Ų67134.9 Ų134.969%0.69176%0.763SS**  trans-96141.4169.400000113.3
151L32.1Very low44Very low172 Ų172134.8 Ų134.890%0.90176%0.762SS**  trans-147.1154.1166.8-89.6177.1000110.7
152D39.8Very low45.1Very low154 Ų154132 Ų13282%0.82476%0.761SS**  trans-60.8147.1-176.4-65.4-89000114.8
153S37.6Very low46.6Very low113 Ų113134.2 Ų134.279%0.7976%0.758SS**  trans-146.198.9159.7-169.30000109.3D155S153-D155 PolarHBondContact O-N 2.83Å
154E47.6Very low47.3Very low196 Ų196129.6 Ų129.692%0.91675%0.746SS**  trans-73.9111168.1-60.6176.9123.100108.1
155D40.1Very low48.3Very low125 Ų125130.3 Ų130.367%0.66874%0.742SS**  trans-116.8133.3174.9-175.859.9000112.5S153 S157S153-D155 PolarHBondContact O-N 2.83Å; D155-S157 PolarHBondContact O-N 3.47Å; D155-S157 PolarHBondContact OD2-OG 3.46Å
156D53.2Low49Very low162 Ų162124.8 Ų124.887%0.86672%0.721SS**  trans-87.354.2-172.1-16922.6000111.6G158D156-G158 PolarHBondContact O-N 3.3Å; D156-G158 VanDerWaalsContact O-N 3.13Å
157S50.2Low49.6Very low100 Ų100124.6 Ų124.670%0.69972%0.719SS**  trans-80.889-179.2-85.40000111.6D155D155-S157 PolarHBondContact O-N 3.47Å; D155-S157 PolarHBondContact OD2-OG 3.46Å
158G58.5Low49.8Very low54 Ų54124.1 Ų124.156%0.55772%0.719SS**  trans-59.6162.3167.900000113.4D156 D160D156-G158 PolarHBondContact O-N 3.3Å; D156-G158 VanDerWaalsContact O-N 3.13Å; G158-D160 PolarHBondContact O-N 3.29Å
159P59.8Low49.8Very low96 Ų96125.4 Ų125.462%0.62373%0.725SS**  trans-61.9125.2-168.223.4-33.8000113.7L161P159-L161 PolarHBondContact O-N 3.16Å
160D60.5Low50Low77 Ų77125.3 Ų125.341%0.41272%0.72SS.*  trans-74.791.5178.2-179.32000111.4G158 A162 R163 G164 K165G158-D160 PolarHBondContact O-N 3.29Å; D160-A162 PolarHBondContact O-N 3.03Å; D160-A162 WeakPolarHBondContact OD1-CA 3.24Å; D160-A162 WeakPolarHBondContact OD1-CB 3.24Å; D160-A162 PolarHBondContact OD1-N 3.24Å; D160-R163 HydrophobicContact CB-CB 4.31Å; D160-R163 VanDerWaalsContact CG-CB 3.5Å; D160-R163 PolarHBondContact O-N 2.99Å; D160-R163 PolarHBondContact OD1-N 3.04Å; D160-R163 VanDerWaalsContact OD1-N 3.11Å; D160-R163 WeakPolarHBondContact OD2-CB 3.34Å; D160-G164 PolarHBondContact O-N 3.15Å; D160-K165 PolarHBondContact O-N 2.87Å
161L63Low50.2Low136 Ų136126.6 Ų126.671%0.71272%0.718SS**THydrogen-bonded Turntrans-65.1-21.9175.6-59.2179.7000113.2P159P159-L161 PolarHBondContact O-N 3.16Å
162A60.2Low50.3Low101 Ų101124 Ų12484%0.83571%0.714SS**THydrogen-bonded Turntrans-79.6-20.7178.500000112.6D160D160-A162 PolarHBondContact O-N 3.03Å; D160-A162 WeakPolarHBondContact OD1-CA 3.24Å; D160-A162 WeakPolarHBondContact OD1-CB 3.24Å; D160-A162 PolarHBondContact OD1-N 3.24Å
163R69.5Low50.4Low201 Ų201123.3 Ų123.376%0.75871%0.71SS**THydrogen-bonded Turntrans-100.65175-174.2168.9-82.8-149.1-5.8113.6D160 K165D160-R163 HydrophobicContact CB-CB 4.31Å; D160-R163 VanDerWaalsContact CG-CB 3.5Å; D160-R163 PolarHBondContact O-N 2.99Å; D160-R163 PolarHBondContact OD1-N 3.04Å; D160-R163 VanDerWaalsContact OD1-N 3.11Å; D160-R163 WeakPolarHBondContact OD2-CB 3.34Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.09Å
164G54.1Low50.8Low56 Ų56126.8 Ų126.858%0.57771%0.714SS**THydrogen-bonded Turntrans70.718.6174.600000115.2D160D160-G164 PolarHBondContact O-N 3.15Å
165K57.7Low50.4Low169 Ų169125.7 Ų125.774%0.73572%0.715SS**  trans-107.775.6174.9-74.4-166.1173.3-171.50110.7D160 R163D160-K165 PolarHBondContact O-N 2.87Å; R163-K165 VanDerWaalsContact C-N 3.3Å; R163-K165 PolarHBondContact O-N 3.09Å
166G54Low50.9Low33 Ų33128.8 Ų128.834%0.3473%0.725SS.*  trans-173.613-178.900000116.6M168G166-M168 PolarHBondContact O-N 3.42Å
167N47.9Very low50.6Low151 Ų151128.8 Ų128.881%0.80773%0.725SS**  trans-68.9101.1176.3-73.225.8000109.6
168M46.1Very low50.5Low161 Ų161130 Ų13079%0.79372%0.724SS**  trans-72.6122.8161.160.7175.4-168.200108.5G166 T170G166-M168 PolarHBondContact O-N 3.42Å; M168-T170 PolarHBondContact O-N 3.27Å
169E39.1Very low50Low190 Ų190134 Ų13489%0.88873%0.732SS**  trans-73.992.9174.8-70.316917300108.4S171E169-S171 PolarHBondContact O-N 3.32Å
170T39.2Very low49.8Very low118 Ų118136.2 Ų136.272%0.72474%0.739SS**  trans-76.870.3175.4175.60000110.3M168 S172M168-T170 PolarHBondContact O-N 3.27Å; T170-S172 PolarHBondContact O-N 3.26Å
171S43.1Very low49.5Very low94 Ų94136.2 Ų136.266%0.65774%0.742SS**  trans-47.3135.4169.4159.50000110.9E169 D173E169-S171 PolarHBondContact O-N 3.32Å; S171-D173 PolarHBondContact OG-OD2 2.87Å
172S36.1Very low49Very low116 Ų116133 Ų13381%0.81173%0.725SS**  trans-141.680.9170.8-177.80000107.6T170 E174T170-S172 PolarHBondContact O-N 3.26Å; S172-E174 PolarHBondContact O-N 3.41Å
173D41.1Very low48.9Very low140 Ų140133.5 Ų133.575%0.74971%0.714SS**  trans-43.6126.8168.8-78.9-155.3000112.2S171S171-D173 PolarHBondContact OG-OD2 2.87Å
174E45Very low48.4Very low187 Ų187129 Ų12987%0.87470%0.704SS**  trans-177.890.3142.4-106.4174.2-162.700108.8S172S172-E174 PolarHBondContact O-N 3.41Å
175D39.8Very low48.4Very low173 Ų173128.3 Ų128.393%0.92569%0.687SS**  trans178100.2147.4-91.6-27.6000109.8
176E50.1Low48.4Very low189 Ų189126.6 Ų126.688%0.88368%0.676SS**  trans-99.6107.5173.1-69.2179.9129.200109.7
177D46.9Very low48.6Very low163 Ų163131.1 Ų131.187%0.87269%0.686SS**SBendtrans179.71152.4-102.4-20.7000115.8
178D48.8Very low48.9Very low126 Ų126127.8 Ų127.867%0.67467%0.666SS**  trans-105.54.3-175-89-52.4000116.7D180 V181 D182D178-D180 PolarHBondContact O-N 2.73Å; D178-D180 VanDerWaalsContact O-N 3.08Å; D178-V181 HydrophobicContact CB-CG2 4.12Å; D178-V181 WeakPolarHBondContact O-CG2 3.27Å; D178-V181 PolarHBondContact O-N 3.01Å; D178-D182 PolarHBondContact O-N 2.9Å
179D48.3Very low49.2Very low137 Ų137123.2 Ų123.273%0.73364%0.642SS**Hα-helixtrans-52.8-36.2-177.9-74.6-53.3000114V181 D182 D183D179-V181 PolarHBondContact O-N 3.44Å; D179-D182 PolarHBondContact O-N 3.12Å; D179-D183 PolarHBondContact O-N 3.15Å
180D56.4Low49.7Very low143 Ų143121.8 Ų121.877%0.76564%0.635SS**Hα-helixtrans-64.6-22.1-178.8-97.2-37.9000113.3D178 I184D178-D180 PolarHBondContact O-N 2.73Å; D178-D180 VanDerWaalsContact O-N 3.08Å; D180-I184 VanDerWaalsContact O-CD1 3.27Å; D180-I184 WeakPolarHBondContact O-CD1 3.48Å; D180-I184 VanDerWaalsContact O-CG1 3.29Å; D180-I184 WeakPolarHBondContact O-CG1 3.31Å
181V54Low50.2Low76 Ų76123 Ų12346%0.46163%0.633SS.*Hα-helixtrans-91.8-36.5174.4-66.30000112.5D178 D179 I184 L185D178-V181 HydrophobicContact CB-CG2 4.12Å; D178-V181 WeakPolarHBondContact O-CG2 3.27Å; D178-V181 PolarHBondContact O-N 3.01Å; D179-V181 PolarHBondContact O-N 3.44Å; V181-I184 PolarHBondContact O-N 3.04Å; V181-I184 VanDerWaalsContact O-N 3.15Å; V181-L185 WeakPolarHBondContact O-CG 3.49Å; V181-L185 PolarHBondContact O-N 2.91Å
182D52.2Low50.7Low69 Ų69120 Ų12037%0.36961%0.609SS.*Hα-helixtrans-63.4-43.4176.7-134-81.4000110.9D178 D179 I184 L185 R186D178-D182 PolarHBondContact O-N 2.9Å; D179-D182 PolarHBondContact O-N 3.12Å; D182-I184 VanDerWaalsContact C-N 3.26Å; D182-I184 PolarHBondContact O-N 2.83Å; D182-L185 PolarHBondContact O-N 2.93Å; D182-R186 WeakPolarHBondContact O-CB 3.43Å; D182-R186 WeakPolarHBondContact O-CG 3.14Å; D182-R186 PolarHBondContact O-N 3.48Å; D182-R186 IonicContact OD1-CZ 2.7Å; D182-R186 IonicContact OD1-NE 3.56Å; D182-R186 PolarHBondContact OD1-NE 3Å; D182-R186 IonicContact OD1-NH2 3.88Å; D182-R186 PolarHBondContact OD1-NH2 3.37Å
183D58.1Low51.2Low111 Ų111122.3 Ų122.359%0.59461%0.607SS**Hα-helixtrans-70.1-17.5175.2-105.816.4000113.5D179 K187D179-D183 PolarHBondContact O-N 3.15Å; D183-K187 WeakPolarHBondContact O-CB 3.36Å
184I58.6Low51.7Low108 Ų108117.4 Ų117.455%0.55458%0.58SS**Hα-helixtrans-83-42.4169.1-73.9173.1000110.6D180 V181 D182 K187 E188D180-I184 VanDerWaalsContact O-CD1 3.27Å; D180-I184 WeakPolarHBondContact O-CD1 3.48Å; D180-I184 VanDerWaalsContact O-CG1 3.29Å; D180-I184 WeakPolarHBondContact O-CG1 3.31Å; V181-I184 PolarHBondContact O-N 3.04Å; V181-I184 VanDerWaalsContact O-N 3.15Å; D182-I184 VanDerWaalsContact C-N 3.26Å; D182-I184 PolarHBondContact O-N 2.83Å; I184-K187 CarbonylContact O-C 3.56Å; I184-K187 PolarHBondContact O-N 2.88Å; I184-E188 PolarHBondContact O-N 3.15Å
185L54.4Low52Low41 Ų41111 Ų11122%0.21555%0.552CS.*Hα-helixtrans-66.4-50.2179.9-74.6170.1000111.7V181 D182 K187 E188 E189 E281V181-L185 WeakPolarHBondContact O-CG 3.49Å; V181-L185 PolarHBondContact O-N 2.91Å; D182-L185 PolarHBondContact O-N 2.93Å; L185-K187 PolarHBondContact O-N 3.1Å; L185-K187 VanDerWaalsContact O-N 3.14Å; L185-E188 CarbonylContact O-C 3.56Å; L185-E188 WeakPolarHBondContact O-CA 3.46Å; L185-E188 WeakPolarHBondContact O-CB 3.44Å; L185-E188 PolarHBondContact O-N 3.17Å; L185-E189 WeakPolarHBondContact O-CG 3.44Å; L185-E189 PolarHBondContact O-N 2.88Å; L185-E281 HydrophobicContact CD1-CG 4.26Å
186R57.6Low52.6Low133 Ų133107.5 Ų107.550%0.50253%0.525SS..Hα-helixtrans-55.8-32.2173-70.7176.7-167.4165.76.8112.6D182 E189 E190D182-R186 WeakPolarHBondContact O-CB 3.43Å; D182-R186 WeakPolarHBondContact O-CG 3.14Å; D182-R186 PolarHBondContact O-N 3.48Å; D182-R186 IonicContact OD1-CZ 2.7Å; D182-R186 IonicContact OD1-NE 3.56Å; D182-R186 PolarHBondContact OD1-NE 3Å; D182-R186 IonicContact OD1-NH2 3.88Å; D182-R186 PolarHBondContact OD1-NH2 3.37Å; R186-E189 WeakPolarHBondContact O-CB 3.36Å; R186-E189 PolarHBondContact O-N 2.95Å; R186-E190 WeakPolarHBondContact O-CB 3.36Å; R186-E190 WeakPolarHBondContact O-CG 3.25Å; R186-E190 PolarHBondContact O-N 3.44Å
187K57.7Low52.7Low127 Ų127101.9 Ų101.955%0.55252%0.518SS*.Hα-helixtrans-80.3-24.3177.7-166.4174.9-172.61710112.9D183 I184 L185 Q191D183-K187 WeakPolarHBondContact O-CB 3.36Å; I184-K187 CarbonylContact O-C 3.56Å; I184-K187 PolarHBondContact O-N 2.88Å; L185-K187 PolarHBondContact O-N 3.1Å; L185-K187 VanDerWaalsContact O-N 3.14Å; K187-Q191 WeakPolarHBondContact O-CB 3.43Å; K187-Q191 VanDerWaalsContact O-CG 3.27Å; K187-Q191 WeakPolarHBondContact O-CG 3.36Å; K187-Q191 PolarHBondContact O-N 2.86Å; K187-Q191 PolarHBondContact O-NE2 3.18Å
188E54.6Low53.3Low82 Ų8298.8 Ų98.838%0.38350%0.498SS..Hα-helixtrans-72.4-40162.8-88.6-164.3161.600111.1I184 L185 Q191 I192 K288I184-E188 PolarHBondContact O-N 3.15Å; L185-E188 CarbonylContact O-C 3.56Å; L185-E188 WeakPolarHBondContact O-CA 3.46Å; L185-E188 WeakPolarHBondContact O-CB 3.44Å; L185-E188 PolarHBondContact O-N 3.17Å; E188-Q191 CarbonylContact O-C 3.57Å; E188-Q191 WeakPolarHBondContact O-CA 3.35Å; E188-Q191 PolarHBondContact O-N 3.29Å; E188-I192 VanDerWaalsContact O-CG1 3.29Å; E188-I192 WeakPolarHBondContact O-CG1 3.23Å; E188-I192 PolarHBondContact O-N 2.66Å; E188-K288 IonicContact OE2-NZ 3.06Å; E188-K288 PolarHBondContact OE2-NZ 2.89Å
189E52.3Low53.9Low64 Ų6494.4 Ų94.430%0.29948%0.475SS..Hα-helixtrans-58-49.5172.3-66.4171167.700111.6L185 R186 Q191 I192 V284L185-E189 WeakPolarHBondContact O-CG 3.44Å; L185-E189 PolarHBondContact O-N 2.88Å; R186-E189 WeakPolarHBondContact O-CB 3.36Å; R186-E189 PolarHBondContact O-N 2.95Å; E189-Q191 PolarHBondContact O-N 3.02Å; E189-I192 CarbonylContact O-C 3.56Å; E189-I192 PolarHBondContact O-N 3.12Å; E189-V284 HydrophobicContact CG-CG2 3.73Å; E189-V284 WeakPolarHBondContact OE1-CG2 3.37Å
190E48.9Very low54.3Low160 Ų16089.8 Ų89.875%0.74845%0.453SS*.THydrogen-bonded Turntrans-63.2-18173.2-74.7-175.2163.500113.8R186R186-E190 WeakPolarHBondContact O-CB 3.36Å; R186-E190 WeakPolarHBondContact O-CG 3.25Å; R186-E190 PolarHBondContact O-N 3.44Å
191Q51.3Low54.2Low145 Ų14589.5 Ų89.568%0.67844%0.441SS*.THydrogen-bonded Turntrans-92.8-15.9172.7-79.8172.295.100113K187 E188 E189 E193K187-Q191 WeakPolarHBondContact O-CB 3.43Å; K187-Q191 VanDerWaalsContact O-CG 3.27Å; K187-Q191 WeakPolarHBondContact O-CG 3.36Å; K187-Q191 PolarHBondContact O-N 2.86Å; K187-Q191 PolarHBondContact O-NE2 3.18Å; E188-Q191 CarbonylContact O-C 3.57Å; E188-Q191 WeakPolarHBondContact O-CA 3.35Å; E188-Q191 PolarHBondContact O-N 3.29Å; E189-Q191 PolarHBondContact O-N 3.02Å; Q191-E193 PolarHBondContact O-N 3.21Å
192I53Low54.2Low31 Ų3191.4 Ų91.416%0.15945%0.448CS..  trans-81.568.1166.5-60.4159.3000106.5E188 E189 H194 K288E188-I192 VanDerWaalsContact O-CG1 3.29Å; E188-I192 WeakPolarHBondContact O-CG1 3.23Å; E188-I192 PolarHBondContact O-N 2.66Å; E189-I192 CarbonylContact O-C 3.56Å; E189-I192 PolarHBondContact O-N 3.12Å; I192-H194 HydrophobicContact CG2-CB 3.96Å; I192-H194 WeakPolarHBondContact CG2-CE1 3.4Å; I192-H194 WeakPolarHBondContact CG2-ND1 3.47Å; I192-H194 PolarHBondContact O-N 3.16Å; I192-K288 HydrophobicContact CD1-CG 4.49Å
193E47Very low54.6Low163 Ų16389.2 Ų89.276%0.76244%0.44SS*.  trans-66.684.4164-108.4-169.7167.300107.6Q191 D195Q191-E193 PolarHBondContact O-N 3.21Å; E193-D195 PolarHBondContact O-N 2.91Å; E193-D195 VanDerWaalsContact O-N 3.1Å
194H51.1Low54.9Low38 Ų3890 Ų9018%0.17645%0.451CS..  trans-81.693.5-166.5-134.8150.9000107.5I192 W196 E287I192-H194 HydrophobicContact CG2-CB 3.96Å; I192-H194 WeakPolarHBondContact CG2-CE1 3.4Å; I192-H194 WeakPolarHBondContact CG2-ND1 3.47Å; I192-H194 PolarHBondContact O-N 3.16Å; H194-W196 AromaticContact CD2-CE2 3.82Å; H194-W196 AromaticContact CD2-NE1 3.23Å; H194-W196 PolarHBondContact CD2-NE1 3.3Å; H194-W196 AromaticContact CG-CD1 3.77Å; H194-W196 AromaticContact CG-NE1 3.11Å; H194-W196 AromaticContact ND1-NE1 3.56Å; H194-W196 PolarHBondContact O-N 3.3Å; H194-E287 IonicContact CE1-OE1 2.92Å; H194-E287 IonicContact CE1-OE2 2.87Å; H194-E287 PolarHBondContact CE1-OE2 3.02Å; H194-E287 IonicContact ND1-OE2 3.54Å; H194-E287 PolarHBondContact ND1-OE2 3.28Å; H194-E287 VanDerWaalsContact ND1-OE2 3.16Å; H194-E287 WeakPolarHBondContact NE2-CA 3.3Å; H194-E287 WeakPolarHBondContact NE2-CB 3.48Å; H194-E287 WeakPolarHBondContact NE2-CG 3.39Å; H194-E287 PolarHBondContact NE2-O 2.76Å; H194-E287 IonicContact NE2-OE2 3.92Å
195D50.3Low55.2Low53 Ų5392.1 Ų92.128%0.28345%0.452SS..  trans-69.562.6-175.3-87.6-30.1000113E193 G197 E198 R201E193-D195 PolarHBondContact O-N 2.91Å; E193-D195 VanDerWaalsContact O-N 3.1Å; D195-G197 PolarHBondContact O-N 3.16Å; D195-G197 VanDerWaalsContact O-N 3.08Å; D195-E198 HydrophobicContact CB-CB 4.2Å; D195-E198 PolarHBondContact O-N 2.72Å; D195-R201 VanDerWaalsContact CG-CZ 3.49Å; D195-R201 IonicContact OD1-CZ 2.67Å; D195-R201 IonicContact OD1-NH1 3.32Å; D195-R201 PolarHBondContact OD1-NH1 2.68Å; D195-R201 IonicContact OD1-NH2 3.79Å; D195-R201 PolarHBondContact OD1-NH2 3.33Å; D195-R201 IonicContact OD2-CZ 2.69Å; D195-R201 VanDerWaalsContact OD2-CZ 3.24Å; D195-R201 IonicContact OD2-NE 3.78Å; D195-R201 IonicContact OD2-NH1 3.39Å; D195-R201 IonicContact OD2-NH2 2.9Å; D195-R201 PolarHBondContact OD2-NH2 2.79Å
196W54.2Low55.6Low99 Ų9992.5 Ų92.538%0.37546%0.459SS..THydrogen-bonded Turntrans-62.3104.1-177.1-82.496.4000112.4H194 E198 R290 F294 A367H194-W196 AromaticContact CD2-CE2 3.82Å; H194-W196 AromaticContact CD2-NE1 3.23Å; H194-W196 PolarHBondContact CD2-NE1 3.3Å; H194-W196 AromaticContact CG-CD1 3.77Å; H194-W196 AromaticContact CG-NE1 3.11Å; H194-W196 AromaticContact ND1-NE1 3.56Å; H194-W196 PolarHBondContact O-N 3.3Å; W196-E198 VanDerWaalsContact C-N 3.33Å; W196-R290 HydrophobicContact CH2-CG 3.62Å; W196-R290 HydrophobicContact CZ2-CB 4.25Å; W196-R290 VanDerWaalsContact CZ2-CD 3.43Å; W196-R290 HydrophobicContact CZ2-CG 3.65Å; W196-R290 VanDerWaalsContact CZ2-CZ 3.45Å; W196-F294 HydrophobicContact CE3-CZ 4.19Å; W196-F294 AromaticContact CH2-CE2 3.46Å; W196-F294 HydrophobicContact CH2-CE2 3.46Å; W196-F294 VanDerWaalsContact CH2-CE2 3.46Å; W196-F294 AromaticContact CH2-CZ 3.46Å; W196-F294 HydrophobicContact CH2-CZ 3.46Å; W196-F294 VanDerWaalsContact CH2-CZ 3.46Å; W196-F294 AromaticContact CZ2-CE2 3.56Å; W196-F294 HydrophobicContact CZ2-CE2 3.56Å; W196-F294 HydrophobicContact CZ2-CZ 4.03Å; W196-F294 HydrophobicContact CZ3-CE2 4.02Å; W196-F294 AromaticContact CZ3-CZ 3.6Å; W196-F294 HydrophobicContact CZ3-CZ 3.6Å; W196-A367 WeakPolarHBondContact CH2-O 3.16Å
197G50.9Low55.9Low71 Ų7195.4 Ų95.473%0.73248%0.478SS*.THydrogen-bonded Turntrans88-6.2-176.600000114.3D195D195-G197 PolarHBondContact O-N 3.16Å; D195-G197 VanDerWaalsContact O-N 3.08Å
198E59.8Low56.8Low97 Ų9795.7 Ų95.745%0.45348%0.481SS..  trans-100.825178.4-65.7-158.9163.200113.1D195 W196 C200 R201D195-E198 HydrophobicContact CB-CB 4.2Å; D195-E198 PolarHBondContact O-N 2.72Å; W196-E198 VanDerWaalsContact C-N 3.33Å; E198-C200 PolarHBondContact O-N 3.2Å; E198-R201 HydrophobicContact CB-CB 4.06Å; E198-R201 WeakPolarHBondContact O-CB 3.31Å; E198-R201 PolarHBondContact O-N 3.02Å; E198-R201 WeakPolarHBondContact OE2-CD 3.15Å; E198-R201 IonicContact OE2-CZ 3.33Å; E198-R201 IonicContact OE2-NE 3.17Å; E198-R201 IonicContact OE2-NH1 3.63Å; E198-R201 PolarHBondContact OE2-NH1 2.98Å
199L61Low58.3Low34 Ų3495.5 Ų95.518%0.17849%0.485CS..THydrogen-bonded Turntrans-53.9-20.7174.7-97.675.4000114.4N217 F294 L297L199-N217 HydrophobicContact CD2-CB 4.13Å; L199-N217 PolarHBondContact O-ND2 2.95Å; L199-F294 HydrophobicContact CD1-CD1 4.04Å; L199-F294 HydrophobicContact CD1-CE1 4.13Å; L199-F294 HydrophobicContact CD1-CG 4.38Å; L199-F294 HydrophobicContact CD2-CD1 3.89Å; L199-F294 HydrophobicContact CD2-CE1 4.43Å; L199-L297 HydrophobicContact CD2-CD1 4.04Å
200C56.1Low60Low40 Ų4092.7 Ų92.727%0.2747%0.473SS..THydrogen-bonded Turntrans-87.5-7177.1-53.90000113.9E198E198-C200 PolarHBondContact O-N 3.2Å
201R54.8Low62Low138 Ų13886 Ų8652%0.52145%0.445SS..THydrogen-bonded Turntrans-74-33-173.1-179.3173.9108.5-168.9-8114.4D195 E198 A203D195-R201 VanDerWaalsContact CG-CZ 3.49Å; D195-R201 IonicContact OD1-CZ 2.67Å; D195-R201 IonicContact OD1-NH1 3.32Å; D195-R201 PolarHBondContact OD1-NH1 2.68Å; D195-R201 IonicContact OD1-NH2 3.79Å; D195-R201 PolarHBondContact OD1-NH2 3.33Å; D195-R201 IonicContact OD2-CZ 2.69Å; D195-R201 VanDerWaalsContact OD2-CZ 3.24Å; D195-R201 IonicContact OD2-NE 3.78Å; D195-R201 IonicContact OD2-NH1 3.39Å; D195-R201 IonicContact OD2-NH2 2.9Å; D195-R201 PolarHBondContact OD2-NH2 2.79Å; E198-R201 HydrophobicContact CB-CB 4.06Å; E198-R201 WeakPolarHBondContact O-CB 3.31Å; E198-R201 PolarHBondContact O-N 3.02Å; E198-R201 WeakPolarHBondContact OE2-CD 3.15Å; E198-R201 IonicContact OE2-CZ 3.33Å; E198-R201 IonicContact OE2-NE 3.17Å; E198-R201 IonicContact OE2-NH1 3.63Å; E198-R201 PolarHBondContact OE2-NH1 2.98Å; R201-A203 PolarHBondContact O-N 3.48Å
202D55.2Low63.9Low115 Ų11582.1 Ų82.162%0.61542%0.424SS*.THydrogen-bonded Turntrans-56.8-20.8-179.2-78-24.1000113.9K298D202-K298 IonicContact OD2-NZ 3.61Å; D202-K298 PolarHBondContact OD2-NZ 3.37Å
203A59.8Low65.8Low24 Ų2480.6 Ų80.620%0.19842%0.416CS..SBendtrans-119127.6-16400000113.3R201 R205R201-A203 PolarHBondContact O-N 3.48Å; A203-R205 PolarHBondContact O-N 2.81Å
204P63.4Low68Low126 Ų12673.4 Ų73.482%0.81839%0.385SS*.PPolyproline II helixtrans-68.2122.2171.728.5-33000110.2S206P204-S206 PolarHBondContact O-N 2.85Å
205R66.8Low69.9Low153 Ų15371.6 Ų71.658%0.57738%0.376SS*.PPolyproline II helixtrans-61.9123.1172.2-70-177.8172.9-127.7-22.9109.7A203 Y316 D320A203-R205 PolarHBondContact O-N 2.81Å; R205-Y316 PolarHBondContact NH1-OH 2.65Å; R205-D320 IonicContact CZ-OD2 2.74Å; R205-D320 IonicContact NH1-OD2 3.1Å; R205-D320 PolarHBondContact NH1-OD2 3.03Å; R205-D320 IonicContact NH2-OD1 2.72Å; R205-D320 IonicContact NH2-OD2 2.72Å; R205-D320 PolarHBondContact NH2-OD2 3.28Å
206S62Low71.8Confident50 Ų5070 Ų7035%0.3537%0.369SS..PPolyproline II helixtrans-80.6120.7-179.344.40000111.3P204 Q208 F335P204-S206 PolarHBondContact O-N 2.85Å; S206-Q208 PolarHBondContact O-N 2.69Å; S206-F335 PolarHBondContact OG-O 2.83Å
207E64.5Low73.4Confident194 Ų19466 Ų6691%0.90736%0.355SS*.  trans-68.8-6.9171.3-60.4-178163.200113V209E207-V209 PolarHBondContact O-N 2.84Å
208Q75.3Confident75.2Confident133 Ų13362.7 Ų62.762%0.62132%0.32SS*.  trans-82.697.5179.5-68.4-177.1-7.600110.7S206 F335S206-Q208 PolarHBondContact O-N 2.69Å; Q208-F335 WeakPolarHBondContact O-CB 3.38Å
209V86.1Confident76.5Confident78 Ų7858.7 Ų58.747%0.47330%0.302SS..  trans-73.8131.8177.2-163.80000110.8E207 V309 V313 F335E207-V209 PolarHBondContact O-N 2.84Å; V209-V309 HydrophobicContact CB-CG1 4.19Å; V209-V309 HydrophobicContact CG1-CG1 3.45Å; V209-V309 VanDerWaalsContact CG1-CG1 3.45Å; V209-V313 HydrophobicContact CG1-CG2 3.3Å; V209-F335 HydrophobicContact CG1-CD1 4.14Å; V209-F335 HydrophobicContact CG1-CE1 3.62Å; V209-F335 HydrophobicContact CG1-CE2 4.44Å; V209-F335 HydrophobicContact CG1-CZ 3.81Å
210S89.2Confident77.8Confident5 Ų557.3 Ų57.34%0.03530%0.295CS..  trans-132.9166.4176.2162.10000110.3R212 A312 F335 V336 D338S210-R212 PolarHBondContact OG-N 2.91Å; S210-A312 VanDerWaalsContact O-CB 3.24Å; S210-A312 WeakPolarHBondContact O-CB 3.01Å; S210-F335 WeakPolarHBondContact O-CD1 3.46Å; S210-V336 WeakPolarHBondContact CB-O 3.47Å; S210-V336 PolarHBondContact OG-O 2.66Å; S210-D338 WeakPolarHBondContact CB-OD1 3.2Å; S210-D338 PolarHBondContact OG-OD1 3.11Å
211A90.3Very high79.2Confident19 Ų1957.8 Ų57.816%0.15729%0.294CS..SBendtrans-74.7-8.116600000113.5C306 V309A211-C306 VanDerWaalsContact O-CB 3.24Å; A211-C306 WeakPolarHBondContact O-CB 3.3Å; A211-C306 PolarHBondContact O-N 2.89Å; A211-V309 HydrophobicContact CB-CG2 4.24Å
212R91.9Very high80.7Confident63 Ų6353.7 Ų53.724%0.23828%0.279CS..EExtended strand (participates in β ladder)trans-102.3131.8175.8-63.9-175.8-176.9142.110111.7S210 V304 E305 V336 D338 V340S210-R212 PolarHBondContact OG-N 2.91Å; R212-V304 WeakPolarHBondContact CA-O 3.45Å; R212-E305 IonicContact NE-OE1 2.61Å; R212-E305 IonicContact NH2-OE1 3.3Å; R212-V336 HydrophobicContact CB-CB 4.04Å; R212-V336 PolarHBondContact O-N 2.88Å; R212-D338 PolarHBondContact NH1-O 3.44Å; R212-V340 PolarHBondContact NH1-O 2.9Å
213L92.1Very high82.2Confident0 Ų048.3 Ų48.30%025%0.25CC..EExtended strand (participates in β ladder)trans-117.1132.7174.1-64.6170.7000110V303 V304 A312 I315 Y316 R334 F335L213-V303 WeakPolarHBondContact O-CA 3.49Å; L213-V304 HydrophobicContact CB-CB 4.3Å; L213-V304 PolarHBondContact N-O 3.1Å; L213-V304 PolarHBondContact O-N 3.42Å; L213-A312 HydrophobicContact CD1-CB 4.28Å; L213-A312 HydrophobicContact CG-CB 4.19Å; L213-I315 HydrophobicContact CD1-CB 4.02Å; L213-I315 HydrophobicContact CD1-CG2 3.66Å; L213-Y316 HydrophobicContact CD2-CD2 4.35Å; L213-R334 CarbonylContact C-O 3.5Å; L213-R334 WeakPolarHBondContact CA-O 3.34Å; L213-F335 HydrophobicContact CD2-CD1 3.53Å; L213-F335 HydrophobicContact CD2-CE1 3.53Å; L213-F335 HydrophobicContact CD2-CG 4.16Å; L213-F335 HydrophobicContact CD2-CZ 4.14Å
214A92.2Very high83.7Confident12 Ų1248.7 Ų48.710%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-83.7141.3161.600000109.7G302 L333 R334 V336A214-G302 CarbonylContact C-O 3.48Å; A214-G302 VanDerWaalsContact CA-O 3.25Å; A214-G302 WeakPolarHBondContact CA-O 3.42Å; A214-L333 WeakPolarHBondContact O-CA 3.25Å; A214-R334 HydrophobicContact CB-CB 4.43Å; A214-R334 PolarHBondContact N-O 3.4Å; A214-R334 PolarHBondContact O-N 3.02Å; A214-V336 HydrophobicContact CB-CG2 3.55Å
215V92.5Very high85.1Confident0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-112114.2172.1-175.90000107.4M218 W220 L228 F232 Y301 G302 V304 L333V215-M218 HydrophobicContact CG1-CG 3.66Å; V215-W220 HydrophobicContact CB-CH2 4.38Å; V215-W220 HydrophobicContact CG1-CH2 4.24Å; V215-W220 WeakPolarHBondContact O-CH2 3.44Å; V215-W220 WeakPolarHBondContact O-CZ2 3.47Å; V215-L228 HydrophobicContact CG1-CD1 4.44Å; V215-F232 HydrophobicContact CG2-CE2 3.81Å; V215-F232 HydrophobicContact CG2-CZ 3.75Å; V215-Y301 WeakPolarHBondContact O-CA 3.28Å; V215-G302 PolarHBondContact N-O 3.2Å; V215-G302 PolarHBondContact O-N 2.93Å; V215-V304 HydrophobicContact CG2-CG2 3.59Å; V215-L333 HydrophobicContact CB-CD2 4.38Å; V215-L333 HydrophobicContact CG1-CD2 4.38Å; V215-L333 HydrophobicContact CG2-CD2 3.79Å
216C89.4Confident86.2Confident20 Ų2040.7 Ų40.714%0.13520%0.204CC..EExtended strand (participates in β ladder)trans-104.4166.9-178.2-67.90000111.1M218 D332C216-M218 VanDerWaalsContact C-N 3.34Å; C216-M218 WeakPolarHBondContact O-CG 3.22Å; C216-M218 PolarHBondContact O-N 2.91Å; C216-M218 VanDerWaalsContact O-N 3.16Å; C216-D332 HydrophobicContact CB-CB 3.94Å; C216-D332 PolarHBondContact N-O 2.23Å
217N87.9Confident87.6Confident15 Ų1538.8 Ų38.88%0.0819%0.189CC..SBendtrans59.427.9161.9-65-33.9000117.2L199 D332L199-N217 HydrophobicContact CD2-CB 4.13Å; L199-N217 PolarHBondContact O-ND2 2.95Å; N217-D332 HydrophobicContact CB-CB 4.29Å; N217-D332 PolarHBondContact ND2-OD2 3.16Å
218M88.4Confident88.9Confident0 Ų029.5 Ų29.50%015%0.146CC..  trans-99.8159.8-179.5-61.2-52.9-66.700114.6V215 C216 W220 L223 L297 L331V215-M218 HydrophobicContact CG1-CG 3.66Å; C216-M218 VanDerWaalsContact C-N 3.34Å; C216-M218 WeakPolarHBondContact O-CG 3.22Å; C216-M218 PolarHBondContact O-N 2.91Å; C216-M218 VanDerWaalsContact O-N 3.16Å; M218-W220 VanDerWaalsContact C-N 3.31Å; M218-W220 HydrophobicContact CB-CD2 4.34Å; M218-W220 HydrophobicContact CB-CE3 4.47Å; M218-W220 HydrophobicContact CB-CH2 4.05Å; M218-W220 HydrophobicContact CB-CZ2 3.91Å; M218-W220 HydrophobicContact CB-CZ3 4.35Å; M218-W220 HydrophobicContact CG-CH2 4.33Å; M218-W220 HydrophobicContact CG-CZ2 4.39Å; M218-W220 PolarHBondContact O-N 3.42Å; M218-W220 PolarHBondContact O-NE1 2.95Å; M218-W220 VanDerWaalsContact O-NE1 3.17Å; M218-L223 HydrophobicContact CB-CD1 4.06Å; M218-L223 HydrophobicContact CE-CD1 3.49Å; M218-L223 VanDerWaalsContact CE-CD1 3.49Å; M218-L297 WeakPolarHBondContact O-CD2 3.45Å; M218-L331 HydrophobicContact CE-CD2 3.77Å; M218-L331 HydrophobicContact CE-CG 4.39Å; M218-L331 HydrophobicContact SD-CD2 3.82Å; M218-L331 HydrophobicContact SD-CG 4.42Å
219D88.1Confident89.7Confident13 Ų1323.4 Ų23.47%0.0712%0.118CC..  trans-74.173.3176.4-98.4-37.9000112.4D221 R222 L223 L297 S329 F363 S365D219-D221 PolarHBondContact O-N 2.88Å; D219-R222 PolarHBondContact O-N 3.5Å; D219-L223 PolarHBondContact O-N 2.78Å; D219-L297 WeakPolarHBondContact OD1-CD2 3.33Å; D219-S329 PolarHBondContact OD2-OG 3.08Å; D219-F363 HydrophobicContact CB-CE2 3.85Å; D219-F363 HydrophobicContact CB-CZ 4Å; D219-S365 VanDerWaalsContact OD2-CB 3.3Å; D219-S365 WeakPolarHBondContact OD2-CB 3.35Å; D219-S365 PolarHBondContact OD2-OG 2.98Å
220W88.4Confident90Very high6 Ų620 Ų202%0.02310%0.098CC..THydrogen-bonded Turntrans-60.8-9.1-172.7-56.6114.3000117.5V215 M218 L228 I247 L297 F300V215-W220 HydrophobicContact CB-CH2 4.38Å; V215-W220 HydrophobicContact CG1-CH2 4.24Å; V215-W220 WeakPolarHBondContact O-CH2 3.44Å; V215-W220 WeakPolarHBondContact O-CZ2 3.47Å; M218-W220 VanDerWaalsContact C-N 3.31Å; M218-W220 HydrophobicContact CB-CD2 4.34Å; M218-W220 HydrophobicContact CB-CE3 4.47Å; M218-W220 HydrophobicContact CB-CH2 4.05Å; M218-W220 HydrophobicContact CB-CZ2 3.91Å; M218-W220 HydrophobicContact CB-CZ3 4.35Å; M218-W220 HydrophobicContact CG-CH2 4.33Å; M218-W220 HydrophobicContact CG-CZ2 4.39Å; M218-W220 PolarHBondContact O-N 3.42Å; M218-W220 PolarHBondContact O-NE1 2.95Å; M218-W220 VanDerWaalsContact O-NE1 3.17Å; W220-L228 HydrophobicContact CH2-CD1 4.43Å; W220-L228 HydrophobicContact CZ3-CD1 3.91Å; W220-I247 HydrophobicContact CE3-CD1 3.96Å; W220-I247 HydrophobicContact CE3-CG1 4.34Å; W220-I247 HydrophobicContact CE3-CG2 3.86Å; W220-I247 HydrophobicContact CZ3-CD1 3.91Å; W220-I247 HydrophobicContact CZ3-CG1 3.98Å; W220-I247 HydrophobicContact CZ3-CG2 4.08Å; W220-L297 PolarHBondContact NE1-O 3.3Å; W220-F300 HydrophobicContact CB-CB 4.39Å; W220-F300 HydrophobicContact CB-CD2 3.71Å; W220-F300 HydrophobicContact CB-CE2 4.38Å; W220-F300 HydrophobicContact CB-CG 4.34Å; W220-F300 AromaticContact CD1-CD2 3.84Å; W220-F300 HydrophobicContact CD2-CB 3.8Å; W220-F300 HydrophobicContact CE3-CB 4.47Å; W220-F300 HydrophobicContact CG-CB 3.72Å; W220-F300 AromaticContact CG-CD2 3.81Å; W220-F300 HydrophobicContact CG-CD2 3.81Å; W220-F300 HydrophobicContact CG-CG 4.16Å; W220-F300 PolarHBondContact NE1-O 3.25Å; W220-F300 VanDerWaalsContact NE1-O 3.1Å
221D85.6Confident90Very high49 Ų4921.2 Ų21.226%0.26210%0.104SC..THydrogen-bonded Turntrans-84.5-37.1173.2-64.6-79.2000111.2D219 K224 R296 R347D219-D221 PolarHBondContact O-N 2.88Å; D221-K224 PolarHBondContact O-NZ 3.29Å; D221-R296 IonicContact OD1-CZ 2.92Å; D221-R296 IonicContact OD1-NH2 3.91Å; D221-R296 PolarHBondContact OD1-NH2 3.44Å; D221-R296 IonicContact OD2-CZ 3.92Å; D221-R296 IonicContact OD2-NE 3.83Å; D221-R296 PolarHBondContact OD2-NE 3.21Å; D221-R296 IonicContact OD2-NH2 2.85Å; D221-R296 PolarHBondContact OD2-NH2 2.99Å; D221-R347 IonicContact OD1-NH2 3.53Å
222R84.8Confident90.1Very high53 Ų5320.3 Ų20.320%0.210%0.097CC..THydrogen-bonded Turntrans-89.6-44.5-177.8-59.8179.8-177.4-94.2-6.7111.2D219 K361 F363 E379D219-R222 PolarHBondContact O-N 3.5Å; R222-K361 WeakPolarHBondContact O-CD 3.44Å; R222-K361 PolarHBondContact O-NZ 3.17Å; R222-F363 HydrophobicContact CB-CD1 3.95Å; R222-F363 HydrophobicContact CB-CE1 3.91Å; R222-F363 HydrophobicContact CB-CE2 4.44Å; R222-F363 HydrophobicContact CB-CG 4.29Å; R222-F363 HydrophobicContact CB-CZ 4.16Å; R222-F363 VanDerWaalsContact CD-CG 3.49Å; R222-F363 HydrophobicContact CG-CG 4.47Å; R222-E379 IonicContact CZ-OE1 3.51Å; R222-E379 IonicContact CZ-OE2 3.92Å; R222-E379 IonicContact NH1-OE1 3.11Å; R222-E379 IonicContact NH2-OE1 2.89Å; R222-E379 PolarHBondContact NH2-OE1 3.3Å; R222-E379 IonicContact NH2-OE2 3.47Å; R222-E379 PolarHBondContact NH2-OE2 2.61Å
223L88.2Confident90Very high1 Ų119.4 Ų19.41%0.00510%0.1CC..  trans-84.7134.4177.4-66.8167.9000111.7M218 D219 D227 Y324 F363M218-L223 HydrophobicContact CB-CD1 4.06Å; M218-L223 HydrophobicContact CE-CD1 3.49Å; M218-L223 VanDerWaalsContact CE-CD1 3.49Å; D219-L223 PolarHBondContact O-N 2.78Å; L223-D227 HydrophobicContact CD2-CB 4.07Å; L223-Y324 HydrophobicContact CD2-CD1 4.17Å; L223-Y324 HydrophobicContact CD2-CD2 4.32Å; L223-Y324 HydrophobicContact CD2-CE1 3.76Å; L223-Y324 HydrophobicContact CD2-CE2 3.91Å; L223-Y324 HydrophobicContact CD2-CG 4.44Å; L223-F363 HydrophobicContact CD1-CZ 4.13Å; L223-F363 HydrophobicContact CD2-CE1 3.99Å; L223-F363 HydrophobicContact CD2-CZ 4.35Å; L223-F363 HydrophobicContact CG-CE1 3.97Å; L223-F363 HydrophobicContact CG-CZ 3.95Å
224K90.1Very high89.9Confident32 Ų3223.4 Ų23.414%0.13913%0.128CC..  trans-116.8167.9174.3-49.1-62.4-170.6-157.80109.5D221 K226 D227 L228 D348 K361 D381 E383D221-K224 PolarHBondContact O-NZ 3.29Å; K224-K226 PolarHBondContact O-N 2.9Å; K224-K226 VanDerWaalsContact O-N 3.15Å; K224-D227 PolarHBondContact N-OD2 3.03Å; K224-D227 WeakPolarHBondContact O-CB 3.37Å; K224-D227 PolarHBondContact O-N 2.78Å; K224-L228 PolarHBondContact O-N 3.35Å; K224-D348 WeakPolarHBondContact CB-OD2 3.19Å; K224-K361 VanDerWaalsContact CG-NZ 3.3Å; K224-D381 IonicContact NZ-OD1 2.68Å; K224-D381 IonicContact NZ-OD2 3.44Å; K224-D381 PolarHBondContact NZ-OD2 3.22Å; K224-E383 WeakPolarHBondContact CE-OE1 3.45Å; K224-E383 WeakPolarHBondContact CG-OE1 3.32Å
225A92.4Very high89.8Confident0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-59.6-30.5-177.900000112.6L229 V245 I247 D348 A350A225-L229 WeakPolarHBondContact O-CB 3.35Å; A225-L229 PolarHBondContact O-N 2.85Å; A225-V245 HydrophobicContact CB-CB 4.39Å; A225-V245 HydrophobicContact CB-CG1 4.21Å; A225-I247 HydrophobicContact CB-CD1 3.99Å; A225-I247 HydrophobicContact CB-CG1 4.13Å; A225-I247 VanDerWaalsContact N-CD1 3.35Å; A225-D348 HydrophobicContact CB-CB 4.17Å; A225-D348 VanDerWaalsContact CB-OD2 3.29Å; A225-D348 WeakPolarHBondContact CB-OD2 3.45Å; A225-D348 PolarHBondContact N-OD2 3Å; A225-A350 HydrophobicContact CB-CB 3.85Å
226K91.7Very high89.7Confident112 Ų11227.8 Ų27.849%0.48715%0.147SC..Hα-helixtrans-65.6-37.3174.3-64.6170.4-173.11620112.7K224 L229 A230 A350 V353K224-K226 PolarHBondContact O-N 2.9Å; K224-K226 VanDerWaalsContact O-N 3.15Å; K226-L229 PolarHBondContact O-N 3.31Å; K226-A230 WeakPolarHBondContact O-CB 3.29Å; K226-A230 PolarHBondContact O-N 3.02Å; K226-A350 HydrophobicContact CB-CB 4.45Å; K226-A350 HydrophobicContact CG-CB 3.84Å; K226-V353 HydrophobicContact CB-CG2 3.93Å; K226-V353 HydrophobicContact CG-CG2 4.19Å
227D91.1Very high89.7Confident9 Ų928.3 Ų28.35%0.04815%0.15CC..Hα-helixtrans-70.7-39.7-178-51.4-36.3000110L223 K224 L231 Y358 K361L223-D227 HydrophobicContact CD2-CB 4.07Å; K224-D227 PolarHBondContact N-OD2 3.03Å; K224-D227 WeakPolarHBondContact O-CB 3.37Å; K224-D227 PolarHBondContact O-N 2.78Å; D227-L231 WeakPolarHBondContact O-CB 3.16Å; D227-L231 PolarHBondContact O-N 3.1Å; D227-L231 VanDerWaalsContact O-N 3.08Å; D227-Y358 WeakPolarHBondContact CA-OH 3.48Å; D227-Y358 WeakPolarHBondContact CB-OH 3.29Å; D227-Y358 WeakPolarHBondContact OD1-CE2 3.36Å; D227-Y358 PolarHBondContact OD1-OH 2.83Å; D227-K361 IonicContact OD1-NZ 2.84Å; D227-K361 IonicContact OD2-NZ 2.69Å; D227-K361 PolarHBondContact OD2-NZ 3.26Å
228L91.2Very high89.5Confident0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-68.4-41.6172.2-67.4178.2000112.7V215 W220 K224 A230 L231 F232 V245V215-L228 HydrophobicContact CG1-CD1 4.44Å; W220-L228 HydrophobicContact CH2-CD1 4.43Å; W220-L228 HydrophobicContact CZ3-CD1 3.91Å; K224-L228 PolarHBondContact O-N 3.35Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.92Å; L228-L231 WeakPolarHBondContact O-CB 3.34Å; L228-L231 PolarHBondContact O-N 2.56Å; L228-F232 HydrophobicContact CB-CD2 4.37Å; L228-F232 HydrophobicContact CB-CE2 4Å; L228-F232 HydrophobicContact CD2-CE2 4.25Å; L228-F232 HydrophobicContact CD2-CZ 4.49Å; L228-F232 WeakPolarHBondContact O-CD2 3.46Å; L228-F232 PolarHBondContact O-N 2.78Å; L228-V245 HydrophobicContact CB-CG1 4.09Å; L228-V245 HydrophobicContact CD1-CG1 4.34Å
229L92.4Very high89.2Confident4 Ų442 Ų422%0.02123%0.232CC..Hα-helixtrans-64.5-38.3176.4179.854.2000111.6A225 K226 S233 V242 V245 A350 V353A225-L229 WeakPolarHBondContact O-CB 3.35Å; A225-L229 PolarHBondContact O-N 2.85Å; K226-L229 PolarHBondContact O-N 3.31Å; L229-S233 VanDerWaalsContact O-CB 3.23Å; L229-S233 WeakPolarHBondContact O-CB 3.42Å; L229-S233 PolarHBondContact O-N 2.97Å; L229-S233 VanDerWaalsContact O-N 3.12Å; L229-S233 PolarHBondContact O-OG 3.08Å; L229-V242 HydrophobicContact CD1-CB 3.65Å; L229-V242 HydrophobicContact CD1-CG1 3.49Å; L229-V242 VanDerWaalsContact CD1-CG1 3.49Å; L229-V245 HydrophobicContact CB-CB 4.38Å; L229-V245 HydrophobicContact CB-CG2 3.79Å; L229-V245 HydrophobicContact CD1-CG2 4.13Å; L229-V245 HydrophobicContact CG-CG2 4.48Å; L229-A350 HydrophobicContact CB-CB 4.17Å; L229-A350 HydrophobicContact CD2-CB 3.77Å; L229-V353 HydrophobicContact CB-CG2 4.15Å; L229-V353 HydrophobicContact CD2-CG2 3.99Å; L229-V353 HydrophobicContact CG-CG2 4.1Å
230A91.8Very high89.2Confident8 Ų842.4 Ų42.47%0.06624%0.239CC..Hα-helixtrans-62.3-45.6173.300000111.7K226 L228 V353 Y358K226-A230 WeakPolarHBondContact O-CB 3.29Å; K226-A230 PolarHBondContact O-N 3.02Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.92Å; A230-V353 HydrophobicContact CB-CG1 4.14Å; A230-Y358 HydrophobicContact CB-CD1 3.8Å; A230-Y358 HydrophobicContact CB-CD2 4.06Å; A230-Y358 HydrophobicContact CB-CE1 3.67Å; A230-Y358 HydrophobicContact CB-CE2 3.95Å; A230-Y358 HydrophobicContact CB-CG 4Å
231L90.6Very high89.3Confident29 Ų2944.2 Ų44.215%0.15226%0.255CS..Hα-helixtrans-57.9-62.1177179.875000111.1D227 L228 S233 S234 F235 Y324 L331D227-L231 WeakPolarHBondContact O-CB 3.16Å; D227-L231 PolarHBondContact O-N 3.1Å; D227-L231 VanDerWaalsContact O-N 3.08Å; L228-L231 WeakPolarHBondContact O-CB 3.34Å; L228-L231 PolarHBondContact O-N 2.56Å; L231-S233 PolarHBondContact O-N 3.29Å; L231-S234 PolarHBondContact O-N 2.73Å; L231-S234 PolarHBondContact O-OG 3.31Å; L231-F235 HydrophobicContact CD1-CE2 3.96Å; L231-F235 HydrophobicContact CG-CE2 4.42Å; L231-F235 WeakPolarHBondContact O-CD2 3.43Å; L231-Y324 HydrophobicContact CB-CE2 4.42Å; L231-Y324 HydrophobicContact CD1-CD2 4.18Å; L231-Y324 HydrophobicContact CD1-CE2 4.2Å; L231-Y324 HydrophobicContact CD2-CD2 3.94Å; L231-Y324 HydrophobicContact CD2-CE2 4.25Å; L231-L331 HydrophobicContact CD2-CD1 3.83Å; L231-L331 HydrophobicContact CD2-CD2 3.97Å
232F91.6Very high89.6Confident1 Ų142.7 Ų42.70%0.00425%0.247CC..Hα-helixtrans-63.6-31-174.4-61-53.3000112.4V215 L228 S234 F235 V236 V242 V304 I315 C319 L331 L333V215-F232 HydrophobicContact CG2-CE2 3.81Å; V215-F232 HydrophobicContact CG2-CZ 3.75Å; L228-F232 HydrophobicContact CB-CD2 4.37Å; L228-F232 HydrophobicContact CB-CE2 4Å; L228-F232 HydrophobicContact CD2-CE2 4.25Å; L228-F232 HydrophobicContact CD2-CZ 4.49Å; L228-F232 WeakPolarHBondContact O-CD2 3.46Å; L228-F232 PolarHBondContact O-N 2.78Å; F232-S234 PolarHBondContact O-N 2.72Å; F232-F235 PolarHBondContact O-N 3.25Å; F232-F235 VanDerWaalsContact O-N 3.16Å; F232-V236 WeakPolarHBondContact O-CG2 3.35Å; F232-V236 PolarHBondContact O-N 3.25Å; F232-V242 HydrophobicContact CB-CG2 4.01Å; F232-V304 HydrophobicContact CD2-CG1 4.12Å; F232-V304 HydrophobicContact CD2-CG2 3.74Å; F232-V304 HydrophobicContact CE2-CG2 3.51Å; F232-V304 HydrophobicContact CZ-CG2 4.4Å; F232-I315 HydrophobicContact CB-CD1 4.33Å; F232-I315 HydrophobicContact CD1-CG2 3.47Å; F232-I315 VanDerWaalsContact CD1-CG2 3.47Å; F232-I315 HydrophobicContact CE1-CG2 3.95Å; F232-I315 HydrophobicContact CG-CG2 4.19Å; F232-C319 HydrophobicContact CE1-CB 4.44Å; F232-L331 HydrophobicContact CZ-CD2 4.5Å; F232-L333 HydrophobicContact CE1-CD1 4.31Å; F232-L333 HydrophobicContact CE1-CD2 4.18Å; F232-L333 HydrophobicContact CZ-CD2 3.99Å
233S90.5Very high90Very high43 Ų4344.7 Ų44.730%0.30126%0.261SS..Hα-helixtrans-62-19.9174.7-62.20000114.6L229 L231L229-S233 VanDerWaalsContact O-CB 3.23Å; L229-S233 WeakPolarHBondContact O-CB 3.42Å; L229-S233 PolarHBondContact O-N 2.97Å; L229-S233 VanDerWaalsContact O-N 3.12Å; L229-S233 PolarHBondContact O-OG 3.08Å; L231-S233 PolarHBondContact O-N 3.29Å
234S90.1Very high90.2Very high84 Ų8444.9 Ų44.959%0.58726%0.263SS*.Hα-helixtrans-84.1-22.8176.172.60000113.7L231 F232L231-S234 PolarHBondContact O-N 2.73Å; L231-S234 PolarHBondContact O-OG 3.31Å; F232-S234 PolarHBondContact O-N 2.72Å
235F89.4Confident90.4Very high73 Ų7343.4 Ų43.432%0.3226%0.257SS..Hα-helixtrans-95.4-0176.6-61.8-85.2000113.4L231 F232 E318 C319L231-F235 HydrophobicContact CD1-CE2 3.96Å; L231-F235 HydrophobicContact CG-CE2 4.42Å; L231-F235 WeakPolarHBondContact O-CD2 3.43Å; F232-F235 PolarHBondContact O-N 3.25Å; F232-F235 VanDerWaalsContact O-N 3.16Å; F235-E318 HydrophobicContact CD1-CB 4.19Å; F235-C319 VanDerWaalsContact CD2-SG 3.51Å; F235-C319 WeakPolarHBondContact CG-SG 3.29Å
236V90.4Very high90.5Very high32 Ų3246.2 Ų46.219%0.19427%0.269CS..  trans-65.8130.5176.91610000111.3F232 G240 V242 T311 I315F232-V236 WeakPolarHBondContact O-CG2 3.35Å; F232-V236 PolarHBondContact O-N 3.25Å; V236-G240 VanDerWaalsContact CG1-O 3.22Å; V236-G240 WeakPolarHBondContact CG1-O 3.44Å; V236-V242 HydrophobicContact CG2-CG2 3.92Å; V236-T311 HydrophobicContact CG2-CG2 3.99Å; V236-I315 HydrophobicContact CG2-CD1 4.13Å
237P88.3Confident90.7Very high30 Ų3041.1 Ų41.120%0.19525%0.247CC..  trans-65.5153.5175.230.2-38.2000111.8G239 G240 K314P237-G239 PolarHBondContact O-N 3.15Å; P237-G240 PolarHBondContact O-N 3.15Å; P237-K314 HydrophobicContact CB-CD 3.85Å; P237-K314 HydrophobicContact CG-CD 3.95Å
238K84Confident90.8Very high224 Ų22441.2 Ų41.297%0.97425%0.247SC*.THydrogen-bonded Turntrans-5699.5-180-66.3177.8-177.8173.40112.4
239G83.3Confident90.9Very high80 Ų8041.8 Ų41.883%0.82525%0.251SS*.THydrogen-bonded Turntrans115.1-6.9179.100000115.2P237P237-G239 PolarHBondContact O-N 3.15Å
240G87.1Confident90.8Very high21 Ų2142.8 Ų42.822%0.21626%0.258CS..  trans-85.9178.5167.700000112.9V236 P237 D307V236-G240 VanDerWaalsContact CG1-O 3.22Å; V236-G240 WeakPolarHBondContact CG1-O 3.44Å; P237-G240 PolarHBondContact O-N 3.15Å; G240-D307 WeakPolarHBondContact CA-OD2 3.41Å
241A90.7Very high90.7Very high43 Ų4349.8 Ų49.836%0.35529%0.289SS..  trans-158.3153.7172.100000112.2D307A241-D307 HydrophobicContact CB-CB 4.38Å; A241-D307 PolarHBondContact N-OD1 3.24Å; A241-D307 PolarHBondContact N-OD2 3.03Å; A241-D307 WeakPolarHBondContact O-CB 3.31Å; A241-D307 PolarHBondContact O-N 3.39Å
242V92.9Very high90.5Very high17 Ų1751.9 Ų51.910%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-91.3129162.3-178.10000108.1L229 F232 V236 V245 V304 I315L229-V242 HydrophobicContact CD1-CB 3.65Å; L229-V242 HydrophobicContact CD1-CG1 3.49Å; L229-V242 VanDerWaalsContact CD1-CG1 3.49Å; F232-V242 HydrophobicContact CB-CG2 4.01Å; V236-V242 HydrophobicContact CG2-CG2 3.92Å; V242-V245 HydrophobicContact CG1-CG2 4.16Å; V242-V304 HydrophobicContact CG1-CG1 3.69Å; V242-V304 HydrophobicContact CG2-CG1 4.46Å; V242-I315 HydrophobicContact CG2-CD1 4.07Å
243L91.8Very high90.3Very high95 Ų9551.9 Ų51.950%0.49730%0.297SS..EExtended strand (participates in β ladder)trans-87.2-43.2-176-63.3171.9000112.3E305 D307L243-E305 WeakPolarHBondContact CA-O 3.22Å; L243-E305 HydrophobicContact CB-CG 4.38Å; L243-E305 WeakPolarHBondContact CB-O 3.36Å; L243-E305 HydrophobicContact CD1-CG 4.34Å; L243-E305 PolarHBondContact N-O 2.85Å; L243-D307 HydrophobicContact CG-CB 4.45Å
244S93.3Very high90.2Very high6 Ų652.8 Ų52.84%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-158.3156.2173.272.10000112.7K246 E305 A350S244-K246 WeakPolarHBondContact OG-CE 3.43Å; S244-K246 PolarHBondContact OG-NZ 2.97Å; S244-K246 VanDerWaalsContact OG-NZ 3.13Å; S244-E305 PolarHBondContact N-O 3.06Å; S244-E305 PolarHBondContact O-N 3.45Å; S244-E305 PolarHBondContact OG-OE2 3.12Å; S244-E305 VanDerWaalsContact OG-OE2 3.1Å; S244-A350 CarbonylContact C-O 3.57Å; S244-A350 VanDerWaalsContact CA-O 3.31Å; S244-A350 WeakPolarHBondContact CA-O 3.44Å
245V94.9Very high90.2Very high0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-122.9129165-176.50000108.4A225 L228 L229 V242 V303 V304 V349 A350A225-V245 HydrophobicContact CB-CB 4.39Å; A225-V245 HydrophobicContact CB-CG1 4.21Å; L228-V245 HydrophobicContact CB-CG1 4.09Å; L228-V245 HydrophobicContact CD1-CG1 4.34Å; L229-V245 HydrophobicContact CB-CB 4.38Å; L229-V245 HydrophobicContact CB-CG2 3.79Å; L229-V245 HydrophobicContact CD1-CG2 4.13Å; L229-V245 HydrophobicContact CG-CG2 4.48Å; V242-V245 HydrophobicContact CG1-CG2 4.16Å; V245-V303 WeakPolarHBondContact CA-O 3.42Å; V245-V304 HydrophobicContact CG1-CG2 4.24Å; V245-V304 HydrophobicContact CG2-CB 4.49Å; V245-V304 HydrophobicContact CG2-CG1 4.24Å; V245-V304 HydrophobicContact CG2-CG2 4.08Å; V245-V349 WeakPolarHBondContact O-CA 2.82Å; V245-A350 PolarHBondContact N-O 2.95Å; V245-A350 PolarHBondContact O-N 2.9Å
246K94.4Very high90.2Very high60 Ų6054.5 Ų54.526%0.26129%0.293SS..EExtended strand (participates in β ladder)trans-127.8128.6-177.8-62.7161.7-174.6147.10108.3S244 F248 G302 V303 E305 P346 V349S244-K246 WeakPolarHBondContact OG-CE 3.43Å; S244-K246 PolarHBondContact OG-NZ 2.97Å; S244-K246 VanDerWaalsContact OG-NZ 3.13Å; K246-F248 HydrophobicContact CB-CD2 4.3Å; K246-F248 HydrophobicContact CB-CE2 3.56Å; K246-F248 HydrophobicContact CB-CZ 3.85Å; K246-F248 HydrophobicContact CD-CE2 4.41Å; K246-F248 HydrophobicContact CD-CZ 4.16Å; K246-G302 CarbonylContact O-C 3.4Å; K246-G302 WeakPolarHBondContact O-CA 3.48Å; K246-V303 PolarHBondContact N-O 2.97Å; K246-V303 PolarHBondContact O-N 2.89Å; K246-E305 IonicContact NZ-OE2 4Å; K246-E305 PolarHBondContact NZ-OE2 2.79Å; K246-P346 HydrophobicContact CB-CB 4.4Å; K246-V349 HydrophobicContact CG-CG1 4.16Å; K246-V349 HydrophobicContact CG-CG2 4.25Å
247I94.9Very high90Very high5 Ų557.6 Ų57.63%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-103.1114.6178.6-62.7173.6000108.9W220 A225 F300 P346 R347 D348W220-I247 HydrophobicContact CE3-CD1 3.96Å; W220-I247 HydrophobicContact CE3-CG1 4.34Å; W220-I247 HydrophobicContact CE3-CG2 3.86Å; W220-I247 HydrophobicContact CZ3-CD1 3.91Å; W220-I247 HydrophobicContact CZ3-CG1 3.98Å; W220-I247 HydrophobicContact CZ3-CG2 4.08Å; A225-I247 HydrophobicContact CB-CD1 3.99Å; A225-I247 HydrophobicContact CB-CG1 4.13Å; A225-I247 VanDerWaalsContact N-CD1 3.35Å; I247-F300 HydrophobicContact CG2-CB 3.99Å; I247-F300 HydrophobicContact CG2-CD1 4.39Å; I247-F300 HydrophobicContact CG2-CG 4.43Å; I247-P346 CarbonylContact O-C 3.52Å; I247-P346 WeakPolarHBondContact O-CA 3.48Å; I247-R347 PolarHBondContact O-N 3.17Å; I247-D348 HydrophobicContact CD1-CB 4.48Å; I247-D348 PolarHBondContact N-O 3.34Å
248F93.4Very high90Very high10 Ų1062.4 Ų62.44%0.04432%0.319CS..EExtended strand (participates in β ladder)trans-104.4146.1-179.3-63.4-81.5000111.3K246 F300 Y301 V303 F342 E344 P346K246-F248 HydrophobicContact CB-CD2 4.3Å; K246-F248 HydrophobicContact CB-CE2 3.56Å; K246-F248 HydrophobicContact CB-CZ 3.85Å; K246-F248 HydrophobicContact CD-CE2 4.41Å; K246-F248 HydrophobicContact CD-CZ 4.16Å; F248-F300 CarbonylContact O-C 3.58Å; F248-F300 VanDerWaalsContact O-CA 3.23Å; F248-F300 WeakPolarHBondContact O-CA 3.41Å; F248-F300 WeakPolarHBondContact O-CB 3.06Å; F248-Y301 HydrophobicContact CB-CD1 4.45Å; F248-Y301 HydrophobicContact CB-CD2 4.36Å; F248-Y301 HydrophobicContact CB-CE1 3.86Å; F248-Y301 HydrophobicContact CB-CE2 3.76Å; F248-Y301 VanDerWaalsContact CB-CZ 3.48Å; F248-Y301 AromaticContact CD2-CE2 3.97Å; F248-Y301 HydrophobicContact CD2-CE2 3.97Å; F248-Y301 HydrophobicContact CG-CE2 4.22Å; F248-Y301 PolarHBondContact N-O 3.42Å; F248-Y301 PolarHBondContact O-N 2.94Å; F248-V303 HydrophobicContact CD2-CB 4.27Å; F248-V303 HydrophobicContact CD2-CG2 3.76Å; F248-V303 HydrophobicContact CE2-CB 3.99Å; F248-V303 HydrophobicContact CE2-CG2 3.84Å; F248-F342 HydrophobicContact CD1-CB 4.37Å; F248-F342 HydrophobicContact CD2-CG 4.46Å; F248-F342 HydrophobicContact CE1-CB 3.87Å; F248-F342 HydrophobicContact CE2-CB 4.11Å; F248-F342 HydrophobicContact CE2-CD2 4.29Å; F248-F342 HydrophobicContact CE2-CG 4.1Å; F248-F342 HydrophobicContact CZ-CB 3.72Å; F248-F342 HydrophobicContact CZ-CG 4.21Å; F248-E344 HydrophobicContact CD1-CB 4.47Å; F248-E344 WeakPolarHBondContact CD1-O 3.42Å; F248-E344 VanDerWaalsContact CE1-O 3.24Å; F248-E344 WeakPolarHBondContact CE1-O 3.25Å; F248-P346 HydrophobicContact CD1-CB 3.98Å; F248-P346 HydrophobicContact CE1-CB 3.81Å; F248-P346 HydrophobicContact CE1-CG 4.25Å; F248-P346 HydrophobicContact CZ-CB 4.33Å
249P92.5Very high90.2Very high12 Ų1254.4 Ų54.48%0.07829%0.289CS..EExtended strand (participates in β ladder)trans-67.3135.1168.528.5-33.6000111.4K254 F300 Y301P249-K254 HydrophobicContact CB-CG 4.12Å; P249-F300 HydrophobicContact CB-CD1 4.1Å; P249-F300 HydrophobicContact CB-CE1 4.18Å; P249-Y301 WeakPolarHBondContact O-CE1 3.46Å
250S91.1Very high90.4Very high25 Ų2551.7 Ų51.718%0.17526%0.255CS..  trans-71.3147.6170.9174.90000110.8F252 G253 K254 K298 Y299S250-F252 VanDerWaalsContact C-N 3.28Å; S250-F252 PolarHBondContact O-N 2.85Å; S250-F252 PolarHBondContact OG-N 2.77Å; S250-G253 CarbonylContact O-C 3.59Å; S250-G253 WeakPolarHBondContact O-CA 3.49Å; S250-G253 PolarHBondContact O-N 3.23Å; S250-K254 PolarHBondContact O-N 2.92Å; S250-K298 WeakPolarHBondContact CB-O 3.23Å; S250-K298 PolarHBondContact OG-O 3.47Å; S250-Y299 WeakPolarHBondContact CB-O 3.42Å; S250-Y299 PolarHBondContact N-O 2.87Å
251E89.4Confident90.4Very high156 Ų15658.4 Ų58.473%0.72928%0.281SS*.Hα-helixtrans-53.4-47.9172.2-64.9-172.6140.100110.8G253 K254 E255E251-G253 VanDerWaalsContact C-N 3.29Å; E251-G253 PolarHBondContact O-N 3.34Å; E251-K254 WeakPolarHBondContact O-CB 3.47Å; E251-K254 PolarHBondContact O-N 2.82Å; E251-E255 PolarHBondContact O-N 2.87Å
252F87.3Confident90.2Very high73 Ų7361.5 Ų61.532%0.3230%0.295SS..Hα-helixtrans-57.2-41.3173.4175.6-103000112.1S250 K254 E255 R256 K295 K298 Y299S250-F252 VanDerWaalsContact C-N 3.28Å; S250-F252 PolarHBondContact O-N 2.85Å; S250-F252 PolarHBondContact OG-N 2.77Å; F252-K254 VanDerWaalsContact C-N 3.34Å; F252-K254 PolarHBondContact O-N 2.72Å; F252-E255 PolarHBondContact O-N 3.16Å; F252-R256 HydrophobicContact CD1-CG 4.35Å; F252-R256 HydrophobicContact CD2-CG 4.33Å; F252-R256 HydrophobicContact CE1-CG 3.97Å; F252-R256 HydrophobicContact CE2-CG 3.95Å; F252-R256 HydrophobicContact CZ-CG 3.76Å; F252-R256 WeakPolarHBondContact O-CB 3.11Å; F252-R256 WeakPolarHBondContact O-CG 3.48Å; F252-R256 PolarHBondContact O-N 3.03Å; F252-K295 HydrophobicContact CE1-CB 4.35Å; F252-K295 HydrophobicContact CZ-CB 4.45Å; F252-K298 HydrophobicContact CD1-CB 4.15Å; F252-K298 HydrophobicContact CE1-CB 4.29Å; F252-Y299 HydrophobicContact CD1-CD1 4.14Å; F252-Y299 HydrophobicContact CD1-CE1 4.33Å; F252-Y299 HydrophobicContact CE1-CD1 4.08Å; F252-Y299 AromaticContact CE1-CE1 3.88Å; F252-Y299 HydrophobicContact CE1-CE1 3.88Å
253G86.8Confident89.6Confident0 Ų066.4 Ų66.40%032%0.317CS..Hα-helixtrans-65.3-33.1175.400000113.7S250 E251 R257S250-G253 CarbonylContact O-C 3.59Å; S250-G253 WeakPolarHBondContact O-CA 3.49Å; S250-G253 PolarHBondContact O-N 3.23Å; E251-G253 VanDerWaalsContact C-N 3.29Å; E251-G253 PolarHBondContact O-N 3.34Å; G253-R257 WeakPolarHBondContact O-CB 3.44Å; G253-R257 PolarHBondContact O-N 3.32Å
254K88.8Confident89.1Confident63 Ų6362.3 Ų62.327%0.27430%0.298SS..Hα-helixtrans-72.4-40.4174.2-68.4-176.4-177.5-173.60112.2P249 S250 E251 F252 K258 E344P249-K254 HydrophobicContact CB-CG 4.12Å; S250-K254 PolarHBondContact O-N 2.92Å; E251-K254 WeakPolarHBondContact O-CB 3.47Å; E251-K254 PolarHBondContact O-N 2.82Å; F252-K254 VanDerWaalsContact C-N 3.34Å; F252-K254 PolarHBondContact O-N 2.72Å; K254-K258 WeakPolarHBondContact O-CD 3.13Å; K254-K258 VanDerWaalsContact O-CG 3.25Å; K254-K258 WeakPolarHBondContact O-CG 3.27Å; K254-K258 PolarHBondContact O-N 2.87Å; K254-E344 WeakPolarHBondContact CE-OE2 3.43Å; K254-E344 IonicContact NZ-OE1 3.21Å; K254-E344 PolarHBondContact NZ-OE1 2.97Å; K254-E344 IonicContact NZ-OE2 3.63Å; K254-E344 PolarHBondContact NZ-OE2 3.01Å
255E89.6Confident88.4Confident138 Ų13862.4 Ų62.465%0.64530%0.299SS*.Hα-helixtrans-67.5-49.6176.4-67.3-165.1150.200111.1E251 F252 R257 K258 V259E251-E255 PolarHBondContact O-N 2.87Å; F252-E255 PolarHBondContact O-N 3.16Å; E255-R257 PolarHBondContact O-N 3.32Å; E255-K258 PolarHBondContact O-N 3.39Å; E255-V259 PolarHBondContact O-N 3.32Å; E255-V259 VanDerWaalsContact O-N 3.15Å
256R89Confident87.3Confident54 Ų5464.8 Ų64.820%0.20431%0.314CS..Hα-helixtrans-57.3-47.9176.1-77.1-64.4-168.1129.4-3.1112.3F252 K258 V259 E260 E267 Y299F252-R256 HydrophobicContact CD1-CG 4.35Å; F252-R256 HydrophobicContact CD2-CG 4.33Å; F252-R256 HydrophobicContact CE1-CG 3.97Å; F252-R256 HydrophobicContact CE2-CG 3.95Å; F252-R256 HydrophobicContact CZ-CG 3.76Å; F252-R256 WeakPolarHBondContact O-CB 3.11Å; F252-R256 WeakPolarHBondContact O-CG 3.48Å; F252-R256 PolarHBondContact O-N 3.03Å; R256-K258 VanDerWaalsContact C-N 3.3Å; R256-K258 PolarHBondContact O-N 2.88Å; R256-V259 CarbonylContact O-C 3.55Å; R256-V259 WeakPolarHBondContact O-CA 3.48Å; R256-V259 WeakPolarHBondContact O-CB 3.45Å; R256-V259 PolarHBondContact O-N 3.48Å; R256-E260 WeakPolarHBondContact O-CG 3.13Å; R256-E260 PolarHBondContact O-N 2.7Å; R256-E267 IonicContact CZ-OE1 2.85Å; R256-E267 IonicContact NH1-OE1 3.38Å; R256-E267 PolarHBondContact NH1-OE1 3.35Å; R256-E267 IonicContact NH2-OE1 3.02Å; R256-E267 PolarHBondContact NH2-OE1 3.39Å; R256-Y299 HydrophobicContact CB-CD1 4.49Å; R256-Y299 HydrophobicContact CB-CE1 3.73Å; R256-Y299 HydrophobicContact CB-CE2 4.3Å; R256-Y299 HydrophobicContact CG-CE1 3.89Å
257R86.3Confident86.2Confident97 Ų9763.7 Ų63.737%0.36631%0.31SS..Hα-helixtrans-59.9-36179.9-166.8-179.8-51.2145.914.9113.4G253 E255 E260 E261G253-R257 WeakPolarHBondContact O-CB 3.44Å; G253-R257 PolarHBondContact O-N 3.32Å; E255-R257 PolarHBondContact O-N 3.32Å; R257-E260 PolarHBondContact O-N 3.19Å; R257-E261 VanDerWaalsContact O-CB 3.29Å; R257-E261 WeakPolarHBondContact O-CB 3.17Å; R257-E261 PolarHBondContact O-N 3.3Å
258K89.3Confident85.1Confident132 Ų13264.9 Ų64.957%0.57432%0.316SS*.Hα-helixtrans-68.6-35.1174.3-68.9165-172.8171.40112.5K254 E255 R256 T262K254-K258 WeakPolarHBondContact O-CD 3.13Å; K254-K258 VanDerWaalsContact O-CG 3.25Å; K254-K258 WeakPolarHBondContact O-CG 3.27Å; K254-K258 PolarHBondContact O-N 2.87Å; E255-K258 PolarHBondContact O-N 3.39Å; R256-K258 VanDerWaalsContact C-N 3.3Å; R256-K258 PolarHBondContact O-N 2.88Å; K258-T262 PolarHBondContact O-N 2.85Å; K258-T262 PolarHBondContact O-OG1 2.83Å
259V88.2Confident83.7Confident55 Ų5571.4 Ų71.433%0.33334%0.344SS..Hα-helixtrans-68.4-45172.6175.70000110E255 R256 T262 Q263E255-V259 PolarHBondContact O-N 3.32Å; E255-V259 VanDerWaalsContact O-N 3.15Å; R256-V259 CarbonylContact O-C 3.55Å; R256-V259 WeakPolarHBondContact O-CA 3.48Å; R256-V259 WeakPolarHBondContact O-CB 3.45Å; R256-V259 PolarHBondContact O-N 3.48Å; V259-T262 PolarHBondContact O-N 2.85Å; V259-T262 PolarHBondContact O-OG1 2.71Å; V259-Q263 WeakPolarHBondContact O-CA 3.37Å; V259-Q263 WeakPolarHBondContact O-CB 3.35Å; V259-Q263 PolarHBondContact O-N 2.9Å
260E87.5Confident82.1Confident23 Ų2374.8 Ų74.811%0.10737%0.373CS..Hα-helixtrans-65.3-39.4178.3-67.7-179134.700113.3R256 R257 T262 G264 Y292 Y299R256-E260 WeakPolarHBondContact O-CG 3.13Å; R256-E260 PolarHBondContact O-N 2.7Å; R257-E260 PolarHBondContact O-N 3.19Å; E260-T262 PolarHBondContact O-N 3.15Å; E260-G264 WeakPolarHBondContact O-CA 3.45Å; E260-G264 PolarHBondContact O-N 2.72Å; E260-Y292 WeakPolarHBondContact OE1-CE2 3.49Å; E260-Y292 VanDerWaalsContact OE1-CZ 3.29Å; E260-Y292 PolarHBondContact OE1-OH 2.86Å; E260-Y299 PolarHBondContact OE1-OH 3.33Å
261E85.9Confident80.4Confident163 Ų16375.8 Ų75.876%0.76238%0.376SS*.Hα-helixtrans-62.1-29.5175.7-176.1176.3-163.300112.2R257R257-E261 VanDerWaalsContact O-CB 3.29Å; R257-E261 WeakPolarHBondContact O-CB 3.17Å; R257-E261 PolarHBondContact O-N 3.3Å
262T86.6Confident79Confident108 Ų10873.3 Ų73.366%0.66337%0.374SS*.Hα-helixtrans-100.4-24.6-178.354.30000114.4K258 V259 E260K258-T262 PolarHBondContact O-N 2.85Å; K258-T262 PolarHBondContact O-OG1 2.83Å; V259-T262 PolarHBondContact O-N 2.85Å; V259-T262 PolarHBondContact O-OG1 2.71Å; E260-T262 PolarHBondContact O-N 3.15Å
263Q80.6Confident77.5Confident119 Ų11977.4 Ų77.456%0.55640%0.399SS*.Hα-helixtrans-132.1-5.4-171.8-57.3-173.917.800114.2V259 K269V259-Q263 WeakPolarHBondContact O-CA 3.37Å; V259-Q263 WeakPolarHBondContact O-CB 3.35Å; V259-Q263 PolarHBondContact O-N 2.9Å; Q263-K269 VanDerWaalsContact O-CD 3.32Å; Q263-K269 WeakPolarHBondContact O-CD 2.99Å; Q263-K269 VanDerWaalsContact O-CE 3.23Å; Q263-K269 WeakPolarHBondContact O-CE 3.19Å; Q263-K269 PolarHBondContact O-NZ 2.89Å
264G81.3Confident75.7Confident10 Ų1084.4 Ų84.410%0.10344%0.436CS..  trans68.1-179.1-166.800000112.5E260 P266E260-G264 WeakPolarHBondContact O-CA 3.45Å; E260-G264 PolarHBondContact O-N 2.72Å; G264-P266 WeakPolarHBondContact O-CD 3.37Å; G264-P266 VanDerWaalsContact O-N 3.1Å
265P79.2Confident73.4Confident8 Ų884.3 Ų84.35%0.05244%0.444CS..  trans-60.1110.6173.4-24.635.9000110.4E267 L268 Y292 W377P265-E267 VanDerWaalsContact C-N 3.29Å; P265-E267 PolarHBondContact O-N 2.75Å; P265-L268 HydrophobicContact CB-CB 4.29Å; P265-L268 HydrophobicContact CB-CD1 3.89Å; P265-L268 HydrophobicContact CB-CG 4.01Å; P265-L268 HydrophobicContact CG-CD1 4.39Å; P265-L268 PolarHBondContact O-N 2.94Å; P265-Y292 HydrophobicContact CB-CD2 4.43Å; P265-Y292 HydrophobicContact CB-CE2 3.9Å; P265-Y292 HydrophobicContact CG-CE2 4.45Å; P265-W377 HydrophobicContact CG-CD2 3.67Å; P265-W377 HydrophobicContact CG-CE3 4.41Å; P265-W377 HydrophobicContact CG-CG 3.69Å; P265-W377 HydrophobicContact CG-CZ2 4.28Å
266P71.6Confident71.6Confident50 Ų5087 Ų8733%0.32546%0.456SS..G310 helixtrans-70.9-30.4-172.527.8-33.1000111.7G264 L268 K269G264-P266 WeakPolarHBondContact O-CD 3.37Å; G264-P266 VanDerWaalsContact O-N 3.1Å; P266-L268 PolarHBondContact O-N 3.38Å; P266-K269 PolarHBondContact O-N 2.67Å
267E71.2Confident69.7Low37 Ų3789.5 Ų89.517%0.17347%0.474CS..G310 helixtrans-69.9-13.9-178.6-63.1174.9-164.700112.9R256 P265 K295R256-E267 IonicContact CZ-OE1 2.85Å; R256-E267 IonicContact NH1-OE1 3.38Å; R256-E267 PolarHBondContact NH1-OE1 3.35Å; R256-E267 IonicContact NH2-OE1 3.02Å; R256-E267 PolarHBondContact NH2-OE1 3.39Å; P265-E267 VanDerWaalsContact C-N 3.29Å; P265-E267 PolarHBondContact O-N 2.75Å; E267-K295 WeakPolarHBondContact OE1-CD 3.49Å; E267-K295 IonicContact OE1-NZ 2.73Å; E267-K295 PolarHBondContact OE1-NZ 2.89Å; E267-K295 VanDerWaalsContact OE2-CD 3.29Å; E267-K295 WeakPolarHBondContact OE2-CD 3.18Å; E267-K295 IonicContact OE2-NZ 2.64Å; E267-K295 PolarHBondContact OE2-NZ 2.9Å
268L71.4Confident68.1Low30 Ų3093.7 Ų93.716%0.15750%0.498CS..G310 helixtrans-108.6-4.1179.2-50.2-178.2000113.1P265 P266 L289 Y292 L375P265-L268 HydrophobicContact CB-CB 4.29Å; P265-L268 HydrophobicContact CB-CD1 3.89Å; P265-L268 HydrophobicContact CB-CG 4.01Å; P265-L268 HydrophobicContact CG-CD1 4.39Å; P265-L268 PolarHBondContact O-N 2.94Å; P266-L268 PolarHBondContact O-N 3.38Å; L268-L289 HydrophobicContact CD1-CD2 4.07Å; L268-L289 HydrophobicContact CD2-CD2 3.62Å; L268-L289 HydrophobicContact CD2-CG 3.95Å; L268-Y292 HydrophobicContact CD1-CD1 4.22Å; L268-L375 HydrophobicContact CD1-CD1 3.41Å; L268-L375 VanDerWaalsContact CD1-CD1 3.41Å; L268-L375 HydrophobicContact CD1-CD2 3.89Å; L268-L375 HydrophobicContact CD1-CG 4.31Å
269K64.3Low66.9Low147 Ų14790.2 Ų90.264%0.63949%0.487SS*.SBendtrans-98.1-2.5-178.6-77.7-171.1171.7-169.20114.6Q263 P266Q263-K269 VanDerWaalsContact O-CD 3.32Å; Q263-K269 WeakPolarHBondContact O-CD 2.99Å; Q263-K269 VanDerWaalsContact O-CE 3.23Å; Q263-K269 WeakPolarHBondContact O-CE 3.19Å; Q263-K269 PolarHBondContact O-NZ 2.89Å; P266-K269 PolarHBondContact O-N 2.67Å
270A58.3Low65.7Low82 Ų8291.8 Ų91.868%0.67849%0.491SS*.SBendtrans-94.53.9-174.200000113.9
271L55.7Low64.5Low46 Ų4695 Ų9524%0.24151%0.506CS..SBendtrans-129.9156.3-169.3-68.1170.8000112.1Y285 K288L271-Y285 HydrophobicContact CD1-CD2 3.72Å; L271-Y285 HydrophobicContact CD1-CG 4.28Å; L271-K288 HydrophobicContact CD1-CD 3.88Å
272P59.3Low63.7Low104 Ų10489.2 Ų89.268%0.67548%0.48SS*.  trans-63.1145.9179.1-21.334000113.2
273D57.3Low63.1Low159 Ų15990 Ų9085%0.8547%0.471SS*.SBendtrans-93.9129.9171-15318.9000107.7
274D47.8Very low62.9Low147 Ų14784.4 Ų84.479%0.78645%0.445SS*.  trans53.599.1-171.3-74.9-27000117.5
275S41.2Very low62.9Low61 Ų6187.9 Ų87.943%0.42746%0.456SS..  trans-128.912613390.30000109.8N277S275-N277 PolarHBondContact O-N 2.82Å
276E52.2Low62.9Low195 Ų19590.1 Ų90.191%0.91146%0.463SS*.  trans-81.420.2-180-63.5-169.4122.700112.8
277N47.8Very low63.4Low107 Ų10790.6 Ų90.657%0.57246%0.461SS*.SBendtrans-101.9141.5-175.6-68.7-21.3000111S275 T279S275-N277 PolarHBondContact O-N 2.82Å; N277-T279 PolarHBondContact O-N 2.78Å
278E54.1Low64Low185 Ų18590.2 Ų90.286%0.86446%0.459SS*.  trans-77.648.2174.7-61.4-173.5131.800112.6
279T64.3Low64.6Low59 Ų5989.2 Ų89.236%0.36245%0.453SS..  trans-70157.4174-44.10000110.7N277 E281 D282N277-T279 PolarHBondContact O-N 2.78Å; T279-E281 HydrophobicContact CG2-CB 4.46Å; T279-E281 HydrophobicContact CG2-CG 4.15Å; T279-E281 PolarHBondContact O-N 2.94Å; T279-D282 WeakPolarHBondContact O-CB 3.45Å; T279-D282 PolarHBondContact O-N 3.24Å
280E61.8Low65.5Low87 Ų8784.3 Ų84.341%0.40743%0.431SS..Hα-helixtrans-59.2-34176.9-64.5-63.7166.800112.6D282 R283 V284E280-D282 PolarHBondContact O-N 3.36Å; E280-R283 WeakPolarHBondContact O-CA 3.39Å; E280-R283 WeakPolarHBondContact O-CB 3.38Å; E280-R283 PolarHBondContact O-N 2.73Å; E280-R283 IonicContact OE1-CZ 2.72Å; E280-R283 IonicContact OE1-NE 3.7Å; E280-R283 IonicContact OE1-NH1 2.89Å; E280-R283 PolarHBondContact OE1-NH1 3.49Å; E280-R283 IonicContact OE1-NH2 3.73Å; E280-R283 PolarHBondContact OE1-NH2 3.4Å; E280-R283 WeakPolarHBondContact OE2-CD 3.47Å; E280-R283 IonicContact OE2-CZ 2.9Å; E280-R283 IonicContact OE2-NE 2.72Å; E280-R283 PolarHBondContact OE2-NE 2.66Å; E280-R283 IonicContact OE2-NH1 3.11Å; E280-R283 PolarHBondContact OE2-NH1 2.96Å; E280-R283 IonicContact OE2-NH2 2.75Å; E280-R283 PolarHBondContact OE2-NH2 3.43Å; E280-V284 PolarHBondContact O-N 2.85Å
281E63.7Low66.8Low92 Ų9282.6 Ų82.643%0.4341%0.41SS..Hα-helixtrans-48.2-37.2170.6-60-174.1130.900113.6L185 T279 R283 V284 Y285L185-E281 HydrophobicContact CD1-CG 4.26Å; T279-E281 HydrophobicContact CG2-CB 4.46Å; T279-E281 HydrophobicContact CG2-CG 4.15Å; T279-E281 PolarHBondContact O-N 2.94Å; E281-R283 VanDerWaalsContact C-N 3.31Å; E281-R283 PolarHBondContact O-N 3.02Å; E281-V284 WeakPolarHBondContact O-CB 3.19Å; E281-V284 PolarHBondContact O-N 3.41Å; E281-Y285 PolarHBondContact O-N 3.12Å
282D69.2Low68.3Low40 Ų4080.5 Ų80.521%0.21440%0.399CS..Hα-helixtrans-76.9-19.5-177.3-168.439.8000111.7T279 E280 R286T279-D282 WeakPolarHBondContact O-CB 3.45Å; T279-D282 PolarHBondContact O-N 3.24Å; E280-D282 PolarHBondContact O-N 3.36Å; D282-R286 VanDerWaalsContact C-NH2 3.29Å; D282-R286 VanDerWaalsContact CG-NH1 3.27Å; D282-R286 WeakPolarHBondContact O-CG 3.4Å; D282-R286 PolarHBondContact O-N 3.39Å; D282-R286 PolarHBondContact O-NE 3.03Å; D282-R286 VanDerWaalsContact O-NE 3.17Å; D282-R286 PolarHBondContact O-NH2 3.09Å; D282-R286 IonicContact OD1-NH1 3.2Å; D282-R286 IonicContact OD2-CZ 3.26Å; D282-R286 IonicContact OD2-NH1 3.75Å; D282-R286 PolarHBondContact OD2-NH1 3.39Å; D282-R286 IonicContact OD2-NH2 2.91Å; D282-R286 PolarHBondContact OD2-NH2 2.86Å
283R72.5Confident69.5Low124 Ų12476 Ų7647%0.46837%0.369SS..Hα-helixtrans-72-49.8163.9-58.3-168.2-169.814220110.3E280 E281 Y285 R286 E287E280-R283 WeakPolarHBondContact O-CA 3.39Å; E280-R283 WeakPolarHBondContact O-CB 3.38Å; E280-R283 PolarHBondContact O-N 2.73Å; E280-R283 IonicContact OE1-CZ 2.72Å; E280-R283 IonicContact OE1-NE 3.7Å; E280-R283 IonicContact OE1-NH1 2.89Å; E280-R283 PolarHBondContact OE1-NH1 3.49Å; E280-R283 IonicContact OE1-NH2 3.73Å; E280-R283 PolarHBondContact OE1-NH2 3.4Å; E280-R283 WeakPolarHBondContact OE2-CD 3.47Å; E280-R283 IonicContact OE2-CZ 2.9Å; E280-R283 IonicContact OE2-NE 2.72Å; E280-R283 PolarHBondContact OE2-NE 2.66Å; E280-R283 IonicContact OE2-NH1 3.11Å; E280-R283 PolarHBondContact OE2-NH1 2.96Å; E280-R283 IonicContact OE2-NH2 2.75Å; E280-R283 PolarHBondContact OE2-NH2 3.43Å; E281-R283 VanDerWaalsContact C-N 3.31Å; E281-R283 PolarHBondContact O-N 3.02Å; R283-Y285 PolarHBondContact O-N 2.91Å; R283-R286 WeakPolarHBondContact O-CB 3.43Å; R283-R286 PolarHBondContact O-N 3.27Å; R283-R286 VanDerWaalsContact O-N 3.07Å; R283-E287 WeakPolarHBondContact O-CB 3.49Å; R283-E287 WeakPolarHBondContact O-CG 3.28Å; R283-E287 PolarHBondContact O-N 3.23Å
284V77.7Confident70.9Confident2 Ų269.9 Ų69.91%0.01234%0.335CS..Hα-helixtrans-56.1-38.5177.6-175.40000111.5E189 E280 E281 E287 K288E189-V284 HydrophobicContact CG-CG2 3.73Å; E189-V284 WeakPolarHBondContact OE1-CG2 3.37Å; E280-V284 PolarHBondContact O-N 2.85Å; E281-V284 WeakPolarHBondContact O-CB 3.19Å; E281-V284 PolarHBondContact O-N 3.41Å; V284-E287 PolarHBondContact O-N 2.95Å; V284-K288 HydrophobicContact CG1-CD 3.91Å; V284-K288 VanDerWaalsContact CG1-NZ 3.28Å; V284-K288 WeakPolarHBondContact O-CB 3.12Å; V284-K288 WeakPolarHBondContact O-CG 3.39Å; V284-K288 PolarHBondContact O-N 3.27Å
285Y80.3Confident72.7Confident83 Ų8364.8 Ų64.833%0.32531%0.306SS..Hα-helixtrans-65.1-49.8173.4177.9-130.3000113.1L271 E281 R283 E287 K288 L289L271-Y285 HydrophobicContact CD1-CD2 3.72Å; L271-Y285 HydrophobicContact CD1-CG 4.28Å; E281-Y285 PolarHBondContact O-N 3.12Å; R283-Y285 PolarHBondContact O-N 2.91Å; Y285-E287 PolarHBondContact O-N 2.62Å; Y285-K288 PolarHBondContact O-N 2.94Å; Y285-L289 HydrophobicContact CD1-CD1 4.11Å; Y285-L289 HydrophobicContact CD2-CD1 4.29Å; Y285-L289 HydrophobicContact CD2-CG 4.29Å; Y285-L289 HydrophobicContact CE1-CD1 3.67Å; Y285-L289 HydrophobicContact CE2-CD1 3.86Å; Y285-L289 HydrophobicContact CE2-CD2 4.46Å; Y285-L289 HydrophobicContact CE2-CG 3.85Å; Y285-L289 HydrophobicContact CG-CD1 4.41Å; Y285-L289 WeakPolarHBondContact O-CB 3.28Å; Y285-L289 PolarHBondContact O-N 3.08Å
286R79.4Confident74.9Confident56 Ų5663.7 Ų63.721%0.21129%0.292CS..Hα-helixtrans-57.2-34.7174.6-79.3-178-76.3-91.20.6112.3D282 R283 L289 R290 S371 V373D282-R286 VanDerWaalsContact C-NH2 3.29Å; D282-R286 VanDerWaalsContact CG-NH1 3.27Å; D282-R286 WeakPolarHBondContact O-CG 3.4Å; D282-R286 PolarHBondContact O-N 3.39Å; D282-R286 PolarHBondContact O-NE 3.03Å; D282-R286 VanDerWaalsContact O-NE 3.17Å; D282-R286 PolarHBondContact O-NH2 3.09Å; D282-R286 IonicContact OD1-NH1 3.2Å; D282-R286 IonicContact OD2-CZ 3.26Å; D282-R286 IonicContact OD2-NH1 3.75Å; D282-R286 PolarHBondContact OD2-NH1 3.39Å; D282-R286 IonicContact OD2-NH2 2.91Å; D282-R286 PolarHBondContact OD2-NH2 2.86Å; R283-R286 WeakPolarHBondContact O-CB 3.43Å; R283-R286 PolarHBondContact O-N 3.27Å; R283-R286 VanDerWaalsContact O-N 3.07Å; R286-L289 WeakPolarHBondContact O-CB 3.29Å; R286-R290 WeakPolarHBondContact O-CB 3.18Å; R286-R290 PolarHBondContact O-N 3.04Å; R286-R290 VanDerWaalsContact O-N 3.07Å; R286-S371 WeakPolarHBondContact CD-O 3.44Å; R286-V373 WeakPolarHBondContact O-CG2 3.07Å
287E81.6Confident76.6Confident59 Ų5955.2 Ų55.228%0.27625%0.254SS..Hα-helixtrans-75.7-44.2179.6-73.8-167.5-158.100112.5H194 R283 V284 Y285 L289 R290 D291H194-E287 IonicContact CE1-OE1 2.92Å; H194-E287 IonicContact CE1-OE2 2.87Å; H194-E287 PolarHBondContact CE1-OE2 3.02Å; H194-E287 IonicContact ND1-OE2 3.54Å; H194-E287 PolarHBondContact ND1-OE2 3.28Å; H194-E287 VanDerWaalsContact ND1-OE2 3.16Å; H194-E287 WeakPolarHBondContact NE2-CA 3.3Å; H194-E287 WeakPolarHBondContact NE2-CB 3.48Å; H194-E287 WeakPolarHBondContact NE2-CG 3.39Å; H194-E287 PolarHBondContact NE2-O 2.76Å; H194-E287 IonicContact NE2-OE2 3.92Å; R283-E287 WeakPolarHBondContact O-CB 3.49Å; R283-E287 WeakPolarHBondContact O-CG 3.28Å; R283-E287 PolarHBondContact O-N 3.23Å; V284-E287 PolarHBondContact O-N 2.95Å; Y285-E287 PolarHBondContact O-N 2.62Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 3.01Å; E287-R290 WeakPolarHBondContact O-CA 3.4Å; E287-R290 WeakPolarHBondContact O-CB 3.46Å; E287-R290 PolarHBondContact O-N 3.19Å; E287-D291 VanDerWaalsContact O-CB 3.31Å; E287-D291 WeakPolarHBondContact O-CB 3.46Å; E287-D291 PolarHBondContact O-N 2.78Å
288K84.2Confident78.6Confident29 Ų2953.6 Ų53.613%0.12624%0.241CC..Hα-helixtrans-62.7-34.3171.5-73.9163.2179.8169.10112.4E188 I192 L271 V284 Y285 Y292E188-K288 IonicContact OE2-NZ 3.06Å; E188-K288 PolarHBondContact OE2-NZ 2.89Å; I192-K288 HydrophobicContact CD1-CG 4.49Å; L271-K288 HydrophobicContact CD1-CD 3.88Å; V284-K288 HydrophobicContact CG1-CD 3.91Å; V284-K288 VanDerWaalsContact CG1-NZ 3.28Å; V284-K288 WeakPolarHBondContact O-CB 3.12Å; V284-K288 WeakPolarHBondContact O-CG 3.39Å; V284-K288 PolarHBondContact O-N 3.27Å; Y285-K288 PolarHBondContact O-N 2.94Å; K288-Y292 VanDerWaalsContact O-CB 3.28Å; K288-Y292 WeakPolarHBondContact O-CB 3.42Å; K288-Y292 PolarHBondContact O-N 2.73Å
289L83.4Confident80.3Confident9 Ų945.2 Ų45.25%0.04720%0.202CC..Hα-helixtrans-59.8-44.1168.3-87.6169000112.4L268 Y285 R286 E287 Y292 Q293 V373 L375L268-L289 HydrophobicContact CD1-CD2 4.07Å; L268-L289 HydrophobicContact CD2-CD2 3.62Å; L268-L289 HydrophobicContact CD2-CG 3.95Å; Y285-L289 HydrophobicContact CD1-CD1 4.11Å; Y285-L289 HydrophobicContact CD2-CD1 4.29Å; Y285-L289 HydrophobicContact CD2-CG 4.29Å; Y285-L289 HydrophobicContact CE1-CD1 3.67Å; Y285-L289 HydrophobicContact CE2-CD1 3.86Å; Y285-L289 HydrophobicContact CE2-CD2 4.46Å; Y285-L289 HydrophobicContact CE2-CG 3.85Å; Y285-L289 HydrophobicContact CG-CD1 4.41Å; Y285-L289 WeakPolarHBondContact O-CB 3.28Å; Y285-L289 PolarHBondContact O-N 3.08Å; R286-L289 WeakPolarHBondContact O-CB 3.29Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 3.01Å; L289-Y292 WeakPolarHBondContact O-CB 3.49Å; L289-Q293 WeakPolarHBondContact O-CG 3.17Å; L289-Q293 PolarHBondContact O-N 3.4Å; L289-Q293 VanDerWaalsContact O-N 3.09Å; L289-V373 HydrophobicContact CB-CB 4.27Å; L289-V373 HydrophobicContact CB-CG1 4.1Å; L289-L375 HydrophobicContact CD2-CB 3.99Å; L289-L375 HydrophobicContact CD2-CD1 3.87Å; L289-L375 HydrophobicContact CD2-CD2 4.5Å; L289-L375 HydrophobicContact CD2-CG 4.33Å
290R84.9Confident81.7Confident44 Ų4443.2 Ų43.217%0.16619%0.188CC..Hα-helixtrans-63.9-49.5178.2-116.9150.4173.7-142.72.6112W196 R286 E287 Y292 Q293 F294 A367 S370 V373W196-R290 HydrophobicContact CH2-CG 3.62Å; W196-R290 HydrophobicContact CZ2-CB 4.25Å; W196-R290 VanDerWaalsContact CZ2-CD 3.43Å; W196-R290 HydrophobicContact CZ2-CG 3.65Å; W196-R290 VanDerWaalsContact CZ2-CZ 3.45Å; R286-R290 WeakPolarHBondContact O-CB 3.18Å; R286-R290 PolarHBondContact O-N 3.04Å; R286-R290 VanDerWaalsContact O-N 3.07Å; E287-R290 WeakPolarHBondContact O-CA 3.4Å; E287-R290 WeakPolarHBondContact O-CB 3.46Å; E287-R290 PolarHBondContact O-N 3.19Å; R290-Y292 VanDerWaalsContact C-N 3.27Å; R290-Y292 PolarHBondContact O-N 3.01Å; R290-Q293 WeakPolarHBondContact O-CA 3.44Å; R290-Q293 WeakPolarHBondContact O-CB 3.34Å; R290-Q293 PolarHBondContact O-N 3.39Å; R290-F294 WeakPolarHBondContact O-CD2 3.47Å; R290-F294 PolarHBondContact O-N 2.83Å; R290-A367 HydrophobicContact CG-CB 4.16Å; R290-A367 PolarHBondContact NE-O 2.85Å; R290-A367 PolarHBondContact NH2-O 2.72Å; R290-S370 PolarHBondContact NH2-O 3.08Å; R290-V373 HydrophobicContact CB-CG2 4.19Å; R290-V373 VanDerWaalsContact CD-CG2 3.43Å; R290-V373 HydrophobicContact CG-CG1 4.46Å; R290-V373 HydrophobicContact CG-CG2 3.47Å; R290-V373 VanDerWaalsContact CG-CG2 3.47Å
291D84.3Confident83.1Confident46 Ų4641.3 Ų41.325%0.24618%0.178CC..Hα-helixtrans-60.3-40.4179.3-158.619.3000110.4E287 F294 K295E287-D291 VanDerWaalsContact O-CB 3.31Å; E287-D291 WeakPolarHBondContact O-CB 3.46Å; E287-D291 PolarHBondContact O-N 2.78Å; D291-F294 PolarHBondContact O-N 3.1Å; D291-K295 WeakPolarHBondContact O-CB 3.02Å; D291-K295 VanDerWaalsContact O-CD 3.28Å; D291-K295 WeakPolarHBondContact O-CD 3.4Å; D291-K295 WeakPolarHBondContact O-CE 3.19Å; D291-K295 WeakPolarHBondContact O-CG 3.37Å; D291-K295 PolarHBondContact O-N 3.22Å; D291-K295 WeakPolarHBondContact OD1-CE 3.37Å; D291-K295 IonicContact OD1-NZ 2.73Å; D291-K295 PolarHBondContact OD1-NZ 3.1Å; D291-K295 VanDerWaalsContact OD2-CE 3.28Å; D291-K295 WeakPolarHBondContact OD2-CE 3.49Å; D291-K295 IonicContact OD2-NZ 3.2Å; D291-K295 PolarHBondContact OD2-NZ 2.96Å
292Y86.7Confident84.5Confident2 Ų237 Ų371%0.00816%0.157CC..Hα-helixtrans-60.4-44.6169.9176.8-100.4000113.3E260 P265 L268 K288 L289 R290 K295 R296 L375 W377E260-Y292 WeakPolarHBondContact OE1-CE2 3.49Å; E260-Y292 VanDerWaalsContact OE1-CZ 3.29Å; E260-Y292 PolarHBondContact OE1-OH 2.86Å; P265-Y292 HydrophobicContact CB-CD2 4.43Å; P265-Y292 HydrophobicContact CB-CE2 3.9Å; P265-Y292 HydrophobicContact CG-CE2 4.45Å; L268-Y292 HydrophobicContact CD1-CD1 4.22Å; K288-Y292 VanDerWaalsContact O-CB 3.28Å; K288-Y292 WeakPolarHBondContact O-CB 3.42Å; K288-Y292 PolarHBondContact O-N 2.73Å; L289-Y292 WeakPolarHBondContact O-CB 3.49Å; R290-Y292 VanDerWaalsContact C-N 3.27Å; R290-Y292 PolarHBondContact O-N 3.01Å; Y292-K295 PolarHBondContact O-N 3.08Å; Y292-R296 PolarHBondContact O-N 2.87Å; Y292-L375 HydrophobicContact CD1-CD1 4.43Å; Y292-L375 HydrophobicContact CE1-CD1 4.36Å; Y292-W377 HydrophobicContact CE1-CB 4.4Å
293Q86.1Confident85.7Confident9 Ų935.4 Ų35.44%0.04215%0.149CC..Hα-helixtrans-61.7-46.8175.7-65.8-60.9-41.700111.5L289 R290 K295 R296 L297 A367 V373 T376L289-Q293 WeakPolarHBondContact O-CG 3.17Å; L289-Q293 PolarHBondContact O-N 3.4Å; L289-Q293 VanDerWaalsContact O-N 3.09Å; R290-Q293 WeakPolarHBondContact O-CA 3.44Å; R290-Q293 WeakPolarHBondContact O-CB 3.34Å; R290-Q293 PolarHBondContact O-N 3.39Å; Q293-K295 VanDerWaalsContact C-N 3.33Å; Q293-K295 PolarHBondContact O-N 3.04Å; Q293-R296 WeakPolarHBondContact O-CA 3.23Å; Q293-R296 VanDerWaalsContact O-CB 3.3Å; Q293-R296 WeakPolarHBondContact O-CB 3.32Å; Q293-R296 PolarHBondContact O-N 3.48Å; Q293-L297 PolarHBondContact O-N 3.01Å; Q293-L297 VanDerWaalsContact O-N 3.15Å; Q293-A367 HydrophobicContact CB-CB 3.87Å; Q293-A367 HydrophobicContact CG-CB 4.08Å; Q293-V373 HydrophobicContact CG-CG1 4.23Å; Q293-T376 PolarHBondContact NE2-OG1 2.94Å; Q293-T376 PolarHBondContact OE1-OG1 2.97Å
294F85.3Confident86.7Confident32 Ų3229.5 Ų29.514%0.1413%0.127CC..Hα-helixtrans-62.3-38.3177.1-68.6-50.8000112.8W196 L199 R290 D291 R296 L297W196-F294 HydrophobicContact CE3-CZ 4.19Å; W196-F294 AromaticContact CH2-CE2 3.46Å; W196-F294 HydrophobicContact CH2-CE2 3.46Å; W196-F294 VanDerWaalsContact CH2-CE2 3.46Å; W196-F294 AromaticContact CH2-CZ 3.46Å; W196-F294 HydrophobicContact CH2-CZ 3.46Å; W196-F294 VanDerWaalsContact CH2-CZ 3.46Å; W196-F294 AromaticContact CZ2-CE2 3.56Å; W196-F294 HydrophobicContact CZ2-CE2 3.56Å; W196-F294 HydrophobicContact CZ2-CZ 4.03Å; W196-F294 HydrophobicContact CZ3-CE2 4.02Å; W196-F294 AromaticContact CZ3-CZ 3.6Å; W196-F294 HydrophobicContact CZ3-CZ 3.6Å; L199-F294 HydrophobicContact CD1-CD1 4.04Å; L199-F294 HydrophobicContact CD1-CE1 4.13Å; L199-F294 HydrophobicContact CD1-CG 4.38Å; L199-F294 HydrophobicContact CD2-CD1 3.89Å; L199-F294 HydrophobicContact CD2-CE1 4.43Å; R290-F294 WeakPolarHBondContact O-CD2 3.47Å; R290-F294 PolarHBondContact O-N 2.83Å; D291-F294 PolarHBondContact O-N 3.1Å; F294-R296 VanDerWaalsContact C-N 3.3Å; F294-R296 PolarHBondContact O-N 3.16Å; F294-L297 HydrophobicContact CD1-CD1 3.89Å; F294-L297 WeakPolarHBondContact O-CB 3.33Å; F294-L297 PolarHBondContact O-N 3.49Å
295K87.1Confident87.5Confident40 Ų4031.7 Ų31.717%0.17414%0.137CC..Hα-helixtrans-64.1-35173.2-68.2160-156.3169.40111.7F252 E267 D291 Y292 Q293 K298 Y299F252-K295 HydrophobicContact CE1-CB 4.35Å; F252-K295 HydrophobicContact CZ-CB 4.45Å; E267-K295 WeakPolarHBondContact OE1-CD 3.49Å; E267-K295 IonicContact OE1-NZ 2.73Å; E267-K295 PolarHBondContact OE1-NZ 2.89Å; E267-K295 VanDerWaalsContact OE2-CD 3.29Å; E267-K295 WeakPolarHBondContact OE2-CD 3.18Å; E267-K295 IonicContact OE2-NZ 2.64Å; E267-K295 PolarHBondContact OE2-NZ 2.9Å; D291-K295 WeakPolarHBondContact O-CB 3.02Å; D291-K295 VanDerWaalsContact O-CD 3.28Å; D291-K295 WeakPolarHBondContact O-CD 3.4Å; D291-K295 WeakPolarHBondContact O-CE 3.19Å; D291-K295 WeakPolarHBondContact O-CG 3.37Å; D291-K295 PolarHBondContact O-N 3.22Å; D291-K295 WeakPolarHBondContact OD1-CE 3.37Å; D291-K295 IonicContact OD1-NZ 2.73Å; D291-K295 PolarHBondContact OD1-NZ 3.1Å; D291-K295 VanDerWaalsContact OD2-CE 3.28Å; D291-K295 WeakPolarHBondContact OD2-CE 3.49Å; D291-K295 IonicContact OD2-NZ 3.2Å; D291-K295 PolarHBondContact OD2-NZ 2.96Å; Y292-K295 PolarHBondContact O-N 3.08Å; Q293-K295 VanDerWaalsContact C-N 3.33Å; Q293-K295 PolarHBondContact O-N 3.04Å; K295-K298 WeakPolarHBondContact O-CB 3.23Å; K295-K298 PolarHBondContact O-N 2.91Å; K295-K298 VanDerWaalsContact O-N 3.15Å; K295-Y299 WeakPolarHBondContact O-CD1 3.17Å; K295-Y299 WeakPolarHBondContact O-CE1 3.5Å
296R87.1Confident88.1Confident37 Ų3728 Ų2814%0.1412%0.123CC..Hα-helixtrans-63.8-35.1173.9-173.5-177.4177.515310112.4D221 Y292 Q293 F294 K298 Y299 T376D221-R296 IonicContact OD1-CZ 2.92Å; D221-R296 IonicContact OD1-NH2 3.91Å; D221-R296 PolarHBondContact OD1-NH2 3.44Å; D221-R296 IonicContact OD2-CZ 3.92Å; D221-R296 IonicContact OD2-NE 3.83Å; D221-R296 PolarHBondContact OD2-NE 3.21Å; D221-R296 IonicContact OD2-NH2 2.85Å; D221-R296 PolarHBondContact OD2-NH2 2.99Å; Y292-R296 PolarHBondContact O-N 2.87Å; Q293-R296 WeakPolarHBondContact O-CA 3.23Å; Q293-R296 VanDerWaalsContact O-CB 3.3Å; Q293-R296 WeakPolarHBondContact O-CB 3.32Å; Q293-R296 PolarHBondContact O-N 3.48Å; F294-R296 VanDerWaalsContact C-N 3.3Å; F294-R296 PolarHBondContact O-N 3.16Å; R296-K298 PolarHBondContact O-N 2.9Å; R296-Y299 HydrophobicContact CG-CD2 4.21Å; R296-Y299 HydrophobicContact CG-CE2 4.35Å; R296-Y299 WeakPolarHBondContact O-CB 3.22Å; R296-Y299 PolarHBondContact O-N 3.05Å; R296-T376 PolarHBondContact NH1-O 3.15Å; R296-T376 PolarHBondContact NH1-OG1 3.02Å
297L87.6Confident88.8Confident18 Ų1828.8 Ų28.89%0.09413%0.131CC..Hα-helixtrans-60.2-30.3173-51.9178.5000112.2L199 M218 D219 W220 Q293 F294 Y299L199-L297 HydrophobicContact CD2-CD1 4.04Å; M218-L297 WeakPolarHBondContact O-CD2 3.45Å; D219-L297 WeakPolarHBondContact OD1-CD2 3.33Å; W220-L297 PolarHBondContact NE1-O 3.3Å; Q293-L297 PolarHBondContact O-N 3.01Å; Q293-L297 VanDerWaalsContact O-N 3.15Å; F294-L297 HydrophobicContact CD1-CD1 3.89Å; F294-L297 WeakPolarHBondContact O-CB 3.33Å; F294-L297 PolarHBondContact O-N 3.49Å; L297-Y299 VanDerWaalsContact C-N 3.26Å; L297-Y299 PolarHBondContact O-N 3.21Å
298K89Confident89.3Confident73 Ų7328 Ų2832%0.31713%0.132SC..THydrogen-bonded Turntrans-79.85.2175.8-58.4-175-177-178.10113.5D202 S250 F252 K295 R296D202-K298 IonicContact OD2-NZ 3.61Å; D202-K298 PolarHBondContact OD2-NZ 3.37Å; S250-K298 WeakPolarHBondContact CB-O 3.23Å; S250-K298 PolarHBondContact OG-O 3.47Å; F252-K298 HydrophobicContact CD1-CB 4.15Å; F252-K298 HydrophobicContact CE1-CB 4.29Å; K295-K298 WeakPolarHBondContact O-CB 3.23Å; K295-K298 PolarHBondContact O-N 2.91Å; K295-K298 VanDerWaalsContact O-N 3.15Å; R296-K298 PolarHBondContact O-N 2.9Å
299Y90.6Very high89.6Confident9 Ų929.6 Ų29.64%0.03515%0.145CC..THydrogen-bonded Turntrans-81.4-19.5-178.1-74.214.4000114.8S250 F252 R256 E260 K295 R296 L297S250-Y299 WeakPolarHBondContact CB-O 3.42Å; S250-Y299 PolarHBondContact N-O 2.87Å; F252-Y299 HydrophobicContact CD1-CD1 4.14Å; F252-Y299 HydrophobicContact CD1-CE1 4.33Å; F252-Y299 HydrophobicContact CE1-CD1 4.08Å; F252-Y299 AromaticContact CE1-CE1 3.88Å; F252-Y299 HydrophobicContact CE1-CE1 3.88Å; R256-Y299 HydrophobicContact CB-CD1 4.49Å; R256-Y299 HydrophobicContact CB-CE1 3.73Å; R256-Y299 HydrophobicContact CB-CE2 4.3Å; R256-Y299 HydrophobicContact CG-CE1 3.89Å; E260-Y299 PolarHBondContact OE1-OH 3.33Å; K295-Y299 WeakPolarHBondContact O-CD1 3.17Å; K295-Y299 WeakPolarHBondContact O-CE1 3.5Å; R296-Y299 HydrophobicContact CG-CD2 4.21Å; R296-Y299 HydrophobicContact CG-CE2 4.35Å; R296-Y299 WeakPolarHBondContact O-CB 3.22Å; R296-Y299 PolarHBondContact O-N 3.05Å; L297-Y299 VanDerWaalsContact C-N 3.26Å; L297-Y299 PolarHBondContact O-N 3.21Å
300F92.4Very high90Very high16 Ų1635.9 Ų35.97%0.0717%0.174CC..EExtended strand (participates in β ladder)trans-138.3165.9175.6-55.6-91.7000109.6W220 I247 F248 P249 R347W220-F300 HydrophobicContact CB-CB 4.39Å; W220-F300 HydrophobicContact CB-CD2 3.71Å; W220-F300 HydrophobicContact CB-CE2 4.38Å; W220-F300 HydrophobicContact CB-CG 4.34Å; W220-F300 AromaticContact CD1-CD2 3.84Å; W220-F300 HydrophobicContact CD2-CB 3.8Å; W220-F300 HydrophobicContact CE3-CB 4.47Å; W220-F300 HydrophobicContact CG-CB 3.72Å; W220-F300 AromaticContact CG-CD2 3.81Å; W220-F300 HydrophobicContact CG-CD2 3.81Å; W220-F300 HydrophobicContact CG-CG 4.16Å; W220-F300 PolarHBondContact NE1-O 3.25Å; W220-F300 VanDerWaalsContact NE1-O 3.1Å; I247-F300 HydrophobicContact CG2-CB 3.99Å; I247-F300 HydrophobicContact CG2-CD1 4.39Å; I247-F300 HydrophobicContact CG2-CG 4.43Å; F248-F300 CarbonylContact O-C 3.58Å; F248-F300 VanDerWaalsContact O-CA 3.23Å; F248-F300 WeakPolarHBondContact O-CA 3.41Å; F248-F300 WeakPolarHBondContact O-CB 3.06Å; P249-F300 HydrophobicContact CB-CD1 4.1Å; P249-F300 HydrophobicContact CB-CE1 4.18Å; F300-R347 HydrophobicContact CE1-CB 4.33Å; F300-R347 HydrophobicContact CE1-CG 4.41Å
301Y93.1Very high90.4Very high48 Ų4834 Ų3419%0.18817%0.167CC..EExtended strand (participates in β ladder)trans-140.7143.9168.759-82.4000109.2V215 F248 P249 V303 F342V215-Y301 WeakPolarHBondContact O-CA 3.28Å; F248-Y301 HydrophobicContact CB-CD1 4.45Å; F248-Y301 HydrophobicContact CB-CD2 4.36Å; F248-Y301 HydrophobicContact CB-CE1 3.86Å; F248-Y301 HydrophobicContact CB-CE2 3.76Å; F248-Y301 VanDerWaalsContact CB-CZ 3.48Å; F248-Y301 AromaticContact CD2-CE2 3.97Å; F248-Y301 HydrophobicContact CD2-CE2 3.97Å; F248-Y301 HydrophobicContact CG-CE2 4.22Å; F248-Y301 PolarHBondContact N-O 3.42Å; F248-Y301 PolarHBondContact O-N 2.94Å; P249-Y301 WeakPolarHBondContact O-CE1 3.46Å; Y301-V303 HydrophobicContact CD2-CG2 3.87Å; Y301-V303 HydrophobicContact CE2-CG2 3.8Å; Y301-F342 AromaticContact CE2-CD1 3.94Å; Y301-F342 HydrophobicContact CE2-CD1 3.94Å; Y301-F342 AromaticContact CE2-CE1 3.58Å; Y301-F342 HydrophobicContact CE2-CE1 3.58Å; Y301-F342 HydrophobicContact CE2-CZ 4.34Å; Y301-F342 VanDerWaalsContact OH-CD1 3.31Å; Y301-F342 WeakPolarHBondContact OH-CD1 3.46Å
302G92.9Very high90.7Very high0 Ų031.8 Ų31.80%016%0.155CC..EExtended strand (participates in β ladder)trans-85.8147.5170.100000110.1A214 V215 K246A214-G302 CarbonylContact C-O 3.48Å; A214-G302 VanDerWaalsContact CA-O 3.25Å; A214-G302 WeakPolarHBondContact CA-O 3.42Å; V215-G302 PolarHBondContact N-O 3.2Å; V215-G302 PolarHBondContact O-N 2.93Å; K246-G302 CarbonylContact O-C 3.4Å; K246-G302 WeakPolarHBondContact O-CA 3.48Å
303V93.8Very high91Very high7 Ų733.5 Ų33.54%0.04217%0.166CC..EExtended strand (participates in β ladder)trans-122.6120.2164.5179.50000107.5L213 V245 K246 F248 Y301 F342L213-V303 WeakPolarHBondContact O-CA 3.49Å; V245-V303 WeakPolarHBondContact CA-O 3.42Å; K246-V303 PolarHBondContact N-O 2.97Å; K246-V303 PolarHBondContact O-N 2.89Å; F248-V303 HydrophobicContact CD2-CB 4.27Å; F248-V303 HydrophobicContact CD2-CG2 3.76Å; F248-V303 HydrophobicContact CE2-CB 3.99Å; F248-V303 HydrophobicContact CE2-CG2 3.84Å; Y301-V303 HydrophobicContact CD2-CG2 3.87Å; Y301-V303 HydrophobicContact CE2-CG2 3.8Å; V303-F342 HydrophobicContact CG1-CE2 4.01Å; V303-F342 HydrophobicContact CG2-CD2 4.35Å; V303-F342 HydrophobicContact CG2-CE1 4.21Å; V303-F342 HydrophobicContact CG2-CE2 3.81Å; V303-F342 HydrophobicContact CG2-CZ 3.72Å
304V93.9Very high91.2Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-105.3123.5179.4-178.50000107.6R212 L213 V215 F232 V242 V245R212-V304 WeakPolarHBondContact CA-O 3.45Å; L213-V304 HydrophobicContact CB-CB 4.3Å; L213-V304 PolarHBondContact N-O 3.1Å; L213-V304 PolarHBondContact O-N 3.42Å; V215-V304 HydrophobicContact CG2-CG2 3.59Å; F232-V304 HydrophobicContact CD2-CG1 4.12Å; F232-V304 HydrophobicContact CD2-CG2 3.74Å; F232-V304 HydrophobicContact CE2-CG2 3.51Å; F232-V304 HydrophobicContact CZ-CG2 4.4Å; V242-V304 HydrophobicContact CG1-CG1 3.69Å; V242-V304 HydrophobicContact CG2-CG1 4.46Å; V245-V304 HydrophobicContact CG1-CG2 4.24Å; V245-V304 HydrophobicContact CG2-CB 4.49Å; V245-V304 HydrophobicContact CG2-CG1 4.24Å; V245-V304 HydrophobicContact CG2-CG2 4.08Å
305E93.6Very high91.5Very high49 Ų4935 Ų3523%0.22917%0.173CC..EExtended strand (participates in β ladder)trans-107.1109.5-178.5-173160.1-136.800108.5R212 L243 S244 K246R212-E305 IonicContact NE-OE1 2.61Å; R212-E305 IonicContact NH2-OE1 3.3Å; L243-E305 WeakPolarHBondContact CA-O 3.22Å; L243-E305 HydrophobicContact CB-CG 4.38Å; L243-E305 WeakPolarHBondContact CB-O 3.36Å; L243-E305 HydrophobicContact CD1-CG 4.34Å; L243-E305 PolarHBondContact N-O 2.85Å; S244-E305 PolarHBondContact N-O 3.06Å; S244-E305 PolarHBondContact O-N 3.45Å; S244-E305 PolarHBondContact OG-OE2 3.12Å; S244-E305 VanDerWaalsContact OG-OE2 3.1Å; K246-E305 IonicContact NZ-OE2 4Å; K246-E305 PolarHBondContact NZ-OE2 2.79Å
306C92.8Very high91.8Very high5 Ų535.2 Ų35.23%0.03417%0.172CC..EExtended strand (participates in β ladder)trans-93.3159-179.8-54.90000111.6A211 S308 T311 A312A211-C306 VanDerWaalsContact O-CB 3.24Å; A211-C306 WeakPolarHBondContact O-CB 3.3Å; A211-C306 PolarHBondContact O-N 2.89Å; C306-S308 VanDerWaalsContact C-N 3.3Å; C306-S308 PolarHBondContact O-N 3.38Å; C306-T311 HydrophobicContact CB-CG2 4.06Å; C306-A312 HydrophobicContact CB-CB 4.22Å
307D93.4Very high91.9Very high72 Ų7240 Ų4039%0.38520%0.197SC..SBendtrans-68.9-27.4175.576.6-47.5000113.9G240 A241 L243 T311G240-D307 WeakPolarHBondContact CA-OD2 3.41Å; A241-D307 HydrophobicContact CB-CB 4.38Å; A241-D307 PolarHBondContact N-OD1 3.24Å; A241-D307 PolarHBondContact N-OD2 3.03Å; A241-D307 WeakPolarHBondContact O-CB 3.31Å; A241-D307 PolarHBondContact O-N 3.39Å; L243-D307 HydrophobicContact CG-CB 4.45Å; D307-T311 VanDerWaalsContact OD1-CB 3.27Å; D307-T311 WeakPolarHBondContact OD1-CB 3.43Å; D307-T311 PolarHBondContact OD1-OG1 3.23Å
308S92.3Very high92Very high42 Ų4243.8 Ų43.829%0.29421%0.213SC..  trans-147.2147.7-173.2179.20000111.7C306 E310 T311 A312C306-S308 VanDerWaalsContact C-N 3.3Å; C306-S308 PolarHBondContact O-N 3.38Å; S308-E310 PolarHBondContact O-N 2.87Å; S308-E310 PolarHBondContact OG-N 2.85Å; S308-E310 VanDerWaalsContact OG-N 3.16Å; S308-T311 WeakPolarHBondContact O-CB 3.29Å; S308-T311 PolarHBondContact O-N 2.74Å; S308-A312 PolarHBondContact O-N 3.4Å; S308-A312 VanDerWaalsContact O-N 3.08Å
309V92.2Very high92Very high64 Ų6440.3 Ų40.339%0.38820%0.199SC..Hα-helixtrans-59.4-33.9170.1-1700000110.7V209 A211 T311 A312 V313V209-V309 HydrophobicContact CB-CG1 4.19Å; V209-V309 HydrophobicContact CG1-CG1 3.45Å; V209-V309 VanDerWaalsContact CG1-CG1 3.45Å; A211-V309 HydrophobicContact CB-CG2 4.24Å; V309-T311 VanDerWaalsContact C-N 3.3Å; V309-T311 PolarHBondContact O-N 2.96Å; V309-A312 PolarHBondContact O-N 3.48Å; V309-V313 VanDerWaalsContact O-CG2 3.31Å; V309-V313 WeakPolarHBondContact O-CG2 3.41Å; V309-V313 PolarHBondContact O-N 3.32Å
310E91.8Very high92Very high140 Ų14041.1 Ų41.165%0.65420%0.204SC*.Hα-helixtrans-68.7-27.7175.5-64.2-173.6-166.500113.3S308S308-E310 PolarHBondContact O-N 2.87Å; S308-E310 PolarHBondContact OG-N 2.85Å; S308-E310 VanDerWaalsContact OG-N 3.16Å
311T92.1Very high91.6Very high4 Ų442.6 Ų42.63%0.02522%0.223CC..Hα-helixtrans-72.9-47.6173.7-60.10000109.7V236 C306 D307 S308 V309 V313 K314 I315V236-T311 HydrophobicContact CG2-CG2 3.99Å; C306-T311 HydrophobicContact CB-CG2 4.06Å; D307-T311 VanDerWaalsContact OD1-CB 3.27Å; D307-T311 WeakPolarHBondContact OD1-CB 3.43Å; D307-T311 PolarHBondContact OD1-OG1 3.23Å; S308-T311 WeakPolarHBondContact O-CB 3.29Å; S308-T311 PolarHBondContact O-N 2.74Å; V309-T311 VanDerWaalsContact C-N 3.3Å; V309-T311 PolarHBondContact O-N 2.96Å; T311-V313 PolarHBondContact O-N 3.27Å; T311-K314 PolarHBondContact O-N 3.19Å; T311-I315 HydrophobicContact CG2-CD1 3.85Å; T311-I315 WeakPolarHBondContact O-CG1 3.45Å; T311-I315 PolarHBondContact O-N 2.72Å; T311-I315 VanDerWaalsContact O-N 3.08Å
312A91.5Very high91.4Very high0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-62.6-39.5177.900000113.1S210 L213 C306 S308 V309 K314 I315 Y316 F335S210-A312 VanDerWaalsContact O-CB 3.24Å; S210-A312 WeakPolarHBondContact O-CB 3.01Å; L213-A312 HydrophobicContact CD1-CB 4.28Å; L213-A312 HydrophobicContact CG-CB 4.19Å; C306-A312 HydrophobicContact CB-CB 4.22Å; S308-A312 PolarHBondContact O-N 3.4Å; S308-A312 VanDerWaalsContact O-N 3.08Å; V309-A312 PolarHBondContact O-N 3.48Å; A312-K314 PolarHBondContact O-N 3.21Å; A312-I315 PolarHBondContact O-N 2.71Å; A312-Y316 WeakPolarHBondContact O-CB 3.43Å; A312-Y316 PolarHBondContact O-N 3.23Å; A312-F335 HydrophobicContact CB-CE1 4.26Å
313V91.8Very high91.1Very high39 Ų3951.3 Ų51.324%0.23626%0.264CS..Hα-helixtrans-59.6-44.2175.1168.10000111.9V209 V309 T311 Y316 E317 F335V209-V313 HydrophobicContact CG1-CG2 3.3Å; V309-V313 VanDerWaalsContact O-CG2 3.31Å; V309-V313 WeakPolarHBondContact O-CG2 3.41Å; V309-V313 PolarHBondContact O-N 3.32Å; T311-V313 PolarHBondContact O-N 3.27Å; V313-Y316 WeakPolarHBondContact O-CB 3.42Å; V313-Y316 PolarHBondContact O-N 3.27Å; V313-E317 HydrophobicContact CG1-CG 4.28Å; V313-E317 WeakPolarHBondContact O-CB 3.24Å; V313-E317 WeakPolarHBondContact O-CG 3.27Å; V313-E317 PolarHBondContact O-N 3.38Å; V313-F335 HydrophobicContact CG2-CZ 4.34Å
314K91.3Very high90.7Very high73 Ų7351.2 Ų51.232%0.31726%0.263SS..Hα-helixtrans-71.7-38.7-179.2-70.9174.6-170.7158.90112.6P237 T311 A312 Y316 E317 E318P237-K314 HydrophobicContact CB-CD 3.85Å; P237-K314 HydrophobicContact CG-CD 3.95Å; T311-K314 PolarHBondContact O-N 3.19Å; A312-K314 PolarHBondContact O-N 3.21Å; K314-Y316 PolarHBondContact O-N 2.88Å; K314-E317 PolarHBondContact O-N 2.9Å; K314-E318 VanDerWaalsContact O-CB 3.27Å; K314-E318 WeakPolarHBondContact O-CB 3.16Å; K314-E318 WeakPolarHBondContact O-CG 3.36Å; K314-E318 PolarHBondContact O-N 3.33Å
315I92.3Very high90.2Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-60.7-39.2171.7-68.9163.2000110.2L213 F232 V236 V242 T311 A312 C319 L333L213-I315 HydrophobicContact CD1-CB 4.02Å; L213-I315 HydrophobicContact CD1-CG2 3.66Å; F232-I315 HydrophobicContact CB-CD1 4.33Å; F232-I315 HydrophobicContact CD1-CG2 3.47Å; F232-I315 VanDerWaalsContact CD1-CG2 3.47Å; F232-I315 HydrophobicContact CE1-CG2 3.95Å; F232-I315 HydrophobicContact CG-CG2 4.19Å; V236-I315 HydrophobicContact CG2-CD1 4.13Å; V242-I315 HydrophobicContact CG2-CD1 4.07Å; T311-I315 HydrophobicContact CG2-CD1 3.85Å; T311-I315 WeakPolarHBondContact O-CG1 3.45Å; T311-I315 PolarHBondContact O-N 2.72Å; T311-I315 VanDerWaalsContact O-N 3.08Å; A312-I315 PolarHBondContact O-N 2.71Å; I315-C319 WeakPolarHBondContact O-CA 3.43Å; I315-C319 WeakPolarHBondContact O-CB 3.44Å; I315-C319 PolarHBondContact O-N 2.92Å; I315-L333 HydrophobicContact CG2-CD1 4.13Å; I315-L333 WeakPolarHBondContact O-CD1 3.39Å
316Y91.4Very high89.6Confident44 Ų4456.4 Ų56.417%0.17329%0.294CS..Hα-helixtrans-65.2-48.8173.6-177.8-87.6000112.1R205 L213 A312 V313 K314 E318 D320 L333 F335R205-Y316 PolarHBondContact NH1-OH 2.65Å; L213-Y316 HydrophobicContact CD2-CD2 4.35Å; A312-Y316 WeakPolarHBondContact O-CB 3.43Å; A312-Y316 PolarHBondContact O-N 3.23Å; V313-Y316 WeakPolarHBondContact O-CB 3.42Å; V313-Y316 PolarHBondContact O-N 3.27Å; K314-Y316 PolarHBondContact O-N 2.88Å; Y316-E318 PolarHBondContact O-N 3.26Å; Y316-D320 HydrophobicContact CD2-CB 4.4Å; Y316-D320 HydrophobicContact CE2-CB 4.37Å; Y316-D320 WeakPolarHBondContact O-CB 3.38Å; Y316-D320 PolarHBondContact O-N 3.43Å; Y316-L333 HydrophobicContact CD2-CB 3.95Å; Y316-L333 HydrophobicContact CE2-CB 4.42Å; Y316-L333 VanDerWaalsContact CE2-O 3.32Å; Y316-L333 WeakPolarHBondContact CE2-O 3.37Å; Y316-F335 HydrophobicContact CD1-CE2 4.01Å; Y316-F335 HydrophobicContact CD1-CZ 4.26Å; Y316-F335 HydrophobicContact CD2-CD2 4.33Å; Y316-F335 AromaticContact CD2-CE2 3.74Å; Y316-F335 HydrophobicContact CD2-CE2 3.74Å; Y316-F335 HydrophobicContact CD2-CZ 4.09Å; Y316-F335 HydrophobicContact CE1-CE2 4.33Å; Y316-F335 HydrophobicContact CE2-CD2 4.42Å; Y316-F335 HydrophobicContact CE2-CE2 4.06Å; Y316-F335 AromaticContact CG-CE2 3.72Å; Y316-F335 HydrophobicContact CG-CE2 3.72Å; Y316-F335 AromaticContact CG-CZ 3.77Å; Y316-F335 HydrophobicContact CG-CZ 3.77Å
317E90.2Very high88.9Confident138 Ų13856.2 Ų56.265%0.64529%0.293SS*.Hα-helixtrans-67.8-31.2-179.6-72.1177166.600114.2V313 K314V313-E317 HydrophobicContact CG1-CG 4.28Å; V313-E317 WeakPolarHBondContact O-CB 3.24Å; V313-E317 WeakPolarHBondContact O-CG 3.27Å; V313-E317 PolarHBondContact O-N 3.38Å; K314-E317 PolarHBondContact O-N 2.9Å
318E90.2Very high88.3Confident96 Ų9655.2 Ų55.245%0.44929%0.291SS..Hα-helixtrans-100-9.1-177-63.3-176.6-157.200113.9F235 K314 Y316 F322F235-E318 HydrophobicContact CD1-CB 4.19Å; K314-E318 VanDerWaalsContact O-CB 3.27Å; K314-E318 WeakPolarHBondContact O-CB 3.16Å; K314-E318 WeakPolarHBondContact O-CG 3.36Å; K314-E318 PolarHBondContact O-N 3.33Å; Y316-E318 PolarHBondContact O-N 3.26Å; E318-F322 WeakPolarHBondContact O-CD2 3.37Å; E318-F322 WeakPolarHBondContact O-CE2 3.39Å
319C89.1Confident87.9Confident1 Ų153.7 Ų53.71%0.00728%0.28CS..Hα-helixtrans-130.4-18.1-178.6-53.20000116F232 F235 I315 G321 F322 L331 L333F232-C319 HydrophobicContact CE1-CB 4.44Å; F235-C319 VanDerWaalsContact CD2-SG 3.51Å; F235-C319 WeakPolarHBondContact CG-SG 3.29Å; I315-C319 WeakPolarHBondContact O-CA 3.43Å; I315-C319 WeakPolarHBondContact O-CB 3.44Å; I315-C319 PolarHBondContact O-N 2.92Å; C319-G321 PolarHBondContact O-N 3.07Å; C319-F322 PolarHBondContact O-N 3.38Å; C319-L331 HydrophobicContact CB-CD1 4.23Å; C319-L331 WeakPolarHBondContact O-CB 3.38Å; C319-L333 HydrophobicContact CB-CD1 3.8Å
320D89.7Confident87.7Confident26 Ų2653.8 Ų53.814%0.13928%0.281CS..THydrogen-bonded Turntrans-65.2126.2174.3-177.253.3000110.3R205 Y316 F322 L333R205-D320 IonicContact CZ-OD2 2.74Å; R205-D320 IonicContact NH1-OD2 3.1Å; R205-D320 PolarHBondContact NH1-OD2 3.03Å; R205-D320 IonicContact NH2-OD1 2.72Å; R205-D320 IonicContact NH2-OD2 2.72Å; R205-D320 PolarHBondContact NH2-OD2 3.28Å; Y316-D320 HydrophobicContact CD2-CB 4.4Å; Y316-D320 HydrophobicContact CE2-CB 4.37Å; Y316-D320 WeakPolarHBondContact O-CB 3.38Å; Y316-D320 PolarHBondContact O-N 3.43Å; D320-F322 VanDerWaalsContact C-N 3.32Å; D320-F322 PolarHBondContact O-N 2.73Å; D320-L333 HydrophobicContact CB-CB 4.21Å; D320-L333 PolarHBondContact OD1-N 3.33Å
321G85.1Confident87.6Confident46 Ų4647.3 Ų47.347%0.47425%0.25SS..THydrogen-bonded Turntrans78.34.8-176.800000115.7C319 L331C319-G321 PolarHBondContact O-N 3.07Å; G321-L331 PolarHBondContact N-O 3.29Å
322F87.2Confident87.5Confident123 Ų12347.3 Ų47.354%0.53925%0.25SS..  trans-89.1147.2174.2-80.8-94.2000112.5E318 C319 D320 L331E318-F322 WeakPolarHBondContact O-CD2 3.37Å; E318-F322 WeakPolarHBondContact O-CE2 3.39Å; C319-F322 PolarHBondContact O-N 3.38Å; D320-F322 VanDerWaalsContact C-N 3.32Å; D320-F322 PolarHBondContact O-N 2.73Å; F322-L331 WeakPolarHBondContact O-CB 3.26Å; F322-L331 WeakPolarHBondContact O-CG 3.15Å; F322-L331 PolarHBondContact O-N 2.93Å
323E87.9Confident87.4Confident108 Ų10847.4 Ų47.451%0.50525%0.251SS..BIsolated β-bridgetrans-78140.5174.5-71.7-177.6-131.800112.3E325 C328 S329 V330E323-E325 PolarHBondContact O-N 2.86Å; E323-C328 WeakPolarHBondContact OE2-CA 3.32Å; E323-S329 WeakPolarHBondContact CA-O 3.24Å; E323-V330 HydrophobicContact CG-CG2 4.02Å
324Y85.7Confident87.3Confident6 Ų649.1 Ų49.12%0.02425%0.253CS..  trans-75.2108.1170.5-176.7-86.9000110.6L223 L231 S326 S327 S329 Y358 F363L223-Y324 HydrophobicContact CD2-CD1 4.17Å; L223-Y324 HydrophobicContact CD2-CD2 4.32Å; L223-Y324 HydrophobicContact CD2-CE1 3.76Å; L223-Y324 HydrophobicContact CD2-CE2 3.91Å; L223-Y324 HydrophobicContact CD2-CG 4.44Å; L231-Y324 HydrophobicContact CB-CE2 4.42Å; L231-Y324 HydrophobicContact CD1-CD2 4.18Å; L231-Y324 HydrophobicContact CD1-CE2 4.2Å; L231-Y324 HydrophobicContact CD2-CD2 3.94Å; L231-Y324 HydrophobicContact CD2-CE2 4.25Å; Y324-S326 PolarHBondContact O-N 2.92Å; Y324-S326 VanDerWaalsContact O-N 3.08Å; Y324-S327 VanDerWaalsContact O-CB 3.27Å; Y324-S327 WeakPolarHBondContact O-CB 3.45Å; Y324-S327 PolarHBondContact O-N 3.15Å; Y324-S327 PolarHBondContact O-OG 3.43Å; Y324-S329 PolarHBondContact N-O 2.86Å; Y324-Y358 PolarHBondContact OH-OH 3.23Å; Y324-F363 HydrophobicContact CD1-CE1 4.29Å; Y324-F363 HydrophobicContact CE1-CE1 4.25Å
325E83.6Confident87.3Confident93 Ų9346.6 Ų46.644%0.43524%0.242SC..THydrogen-bonded Turntrans49.7-108-180-59.7-167.6129.300113.4E323 P360E323-E325 PolarHBondContact O-N 2.86Å; E325-P360 WeakPolarHBondContact OE1-CB 3.43Å; E325-P360 WeakPolarHBondContact OE1-CG 3.41Å
326S79.7Confident87.2Confident65 Ų6547.3 Ų47.346%0.45525%0.247SC..THydrogen-bonded Turntrans-12226.2176.371.30000112.1Y324 T364Y324-S326 PolarHBondContact O-N 2.92Å; Y324-S326 VanDerWaalsContact O-N 3.08Å; S326-T364 WeakPolarHBondContact O-CG2 3.29Å
327S79.1Confident87.1Confident1 Ų147.4 Ų47.41%0.00725%0.253CS..SBendtrans-84.9-17.7-169.964.60000115.2Y324 S329 F363 S365Y324-S327 VanDerWaalsContact O-CB 3.27Å; Y324-S327 WeakPolarHBondContact O-CB 3.45Å; Y324-S327 PolarHBondContact O-N 3.15Å; Y324-S327 PolarHBondContact O-OG 3.43Å; S327-S329 PolarHBondContact O-N 3.01Å; S327-S329 WeakPolarHBondContact OG-CB 3.47Å; S327-S329 PolarHBondContact OG-N 3.18Å; S327-S329 VanDerWaalsContact OG-N 3.12Å; S327-F363 VanDerWaalsContact CA-O 3.25Å; S327-F363 WeakPolarHBondContact CA-O 3.37Å; S327-S365 WeakPolarHBondContact O-CB 3.48Å; S327-S365 PolarHBondContact O-N 3.25Å
328C80.9Confident86.8Confident51 Ų5145.5 Ų45.535%0.34525%0.247SC..  trans58.616.5-164.5-53.60000114.1E323 A368 A369E323-C328 WeakPolarHBondContact OE2-CA 3.32Å; C328-A368 HydrophobicContact CB-CB 4.1Å; C328-A369 HydrophobicContact CB-CB 4.31Å
329S84.3Confident86.4Confident10 Ų1048.3 Ų48.37%0.0727%0.265CS..  trans-87.2113.6165-54.50000109.3D219 E323 Y324 S327D219-S329 PolarHBondContact OD2-OG 3.08Å; E323-S329 WeakPolarHBondContact CA-O 3.24Å; Y324-S329 PolarHBondContact N-O 2.86Å; S327-S329 PolarHBondContact O-N 3.01Å; S327-S329 WeakPolarHBondContact OG-CB 3.47Å; S327-S329 PolarHBondContact OG-N 3.18Å; S327-S329 VanDerWaalsContact OG-N 3.12Å
330V87.3Confident86.2Confident65 Ų6551.1 Ų51.139%0.39428%0.282SS..BIsolated β-bridgetrans-84.9131.7176.5-179.60000110E323 D332E323-V330 HydrophobicContact CG-CG2 4.02Å; V330-D332 PolarHBondContact O-N 3.24Å
331L88.9Confident85.8Confident4 Ų455 Ų552%0.02131%0.306CS..  trans-72.3118.2176.6-68.4160.1000110.7M218 L231 F232 C319 G321 F322M218-L331 HydrophobicContact CE-CD2 3.77Å; M218-L331 HydrophobicContact CE-CG 4.39Å; M218-L331 HydrophobicContact SD-CD2 3.82Å; M218-L331 HydrophobicContact SD-CG 4.42Å; L231-L331 HydrophobicContact CD2-CD1 3.83Å; L231-L331 HydrophobicContact CD2-CD2 3.97Å; F232-L331 HydrophobicContact CZ-CD2 4.5Å; C319-L331 HydrophobicContact CB-CD1 4.23Å; C319-L331 WeakPolarHBondContact O-CB 3.38Å; G321-L331 PolarHBondContact N-O 3.29Å; F322-L331 WeakPolarHBondContact O-CB 3.26Å; F322-L331 WeakPolarHBondContact O-CG 3.15Å; F322-L331 PolarHBondContact O-N 2.93Å
332D89.8Confident85.7Confident4 Ų455.6 Ų55.62%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-103.5105.4172.4180-23.3000108.5C216 N217 V330 R334C216-D332 HydrophobicContact CB-CB 3.94Å; C216-D332 PolarHBondContact N-O 2.23Å; N217-D332 HydrophobicContact CB-CB 4.29Å; N217-D332 PolarHBondContact ND2-OD2 3.16Å; V330-D332 PolarHBondContact O-N 3.24Å; D332-R334 IonicContact OD1-CZ 2.64Å; D332-R334 IonicContact OD1-NE 3.79Å; D332-R334 PolarHBondContact OD1-NE 2.85Å; D332-R334 IonicContact OD1-NH2 3.65Å; D332-R334 PolarHBondContact OD1-NH2 2.93Å; D332-R334 IonicContact OD2-CZ 2.69Å; D332-R334 IonicContact OD2-NE 2.99Å; D332-R334 IonicContact OD2-NH2 2.9Å; D332-R334 PolarHBondContact OD2-NH2 3.14Å
333L90.1Very high85.3Confident3 Ų356.9 Ų56.92%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-105.9141.2-177.9-60.9-174.5000111.2A214 V215 F232 I315 Y316 C319 D320A214-L333 WeakPolarHBondContact O-CA 3.25Å; V215-L333 HydrophobicContact CB-CD2 4.38Å; V215-L333 HydrophobicContact CG1-CD2 4.38Å; V215-L333 HydrophobicContact CG2-CD2 3.79Å; F232-L333 HydrophobicContact CE1-CD1 4.31Å; F232-L333 HydrophobicContact CE1-CD2 4.18Å; F232-L333 HydrophobicContact CZ-CD2 3.99Å; I315-L333 HydrophobicContact CG2-CD1 4.13Å; I315-L333 WeakPolarHBondContact O-CD1 3.39Å; Y316-L333 HydrophobicContact CD2-CB 3.95Å; Y316-L333 HydrophobicContact CE2-CB 4.42Å; Y316-L333 VanDerWaalsContact CE2-O 3.32Å; Y316-L333 WeakPolarHBondContact CE2-O 3.37Å; C319-L333 HydrophobicContact CB-CD1 3.8Å; D320-L333 HydrophobicContact CB-CB 4.21Å; D320-L333 PolarHBondContact OD1-N 3.33Å
334R89.7Confident85.2Confident74 Ų7454.4 Ų54.428%0.27930%0.297SS..EExtended strand (participates in β ladder)trans-144.9140.2-178.5-52.2-179.6-171.2-178.6-5.2111L213 A214 D332L213-R334 CarbonylContact C-O 3.5Å; L213-R334 WeakPolarHBondContact CA-O 3.34Å; A214-R334 HydrophobicContact CB-CB 4.43Å; A214-R334 PolarHBondContact N-O 3.4Å; A214-R334 PolarHBondContact O-N 3.02Å; D332-R334 IonicContact OD1-CZ 2.64Å; D332-R334 IonicContact OD1-NE 3.79Å; D332-R334 PolarHBondContact OD1-NE 2.85Å; D332-R334 IonicContact OD1-NH2 3.65Å; D332-R334 PolarHBondContact OD1-NH2 2.93Å; D332-R334 IonicContact OD2-CZ 2.69Å; D332-R334 IonicContact OD2-NE 2.99Å; D332-R334 IonicContact OD2-NH2 2.9Å; D332-R334 PolarHBondContact OD2-NH2 3.14Å
335F91.5Very high85.2Confident21 Ų2162.6 Ų62.69%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-73.5136.2175-67.7-76.1000111.9S206 Q208 V209 S210 L213 A312 V313 Y316S206-F335 PolarHBondContact OG-O 2.83Å; Q208-F335 WeakPolarHBondContact O-CB 3.38Å; V209-F335 HydrophobicContact CG1-CD1 4.14Å; V209-F335 HydrophobicContact CG1-CE1 3.62Å; V209-F335 HydrophobicContact CG1-CE2 4.44Å; V209-F335 HydrophobicContact CG1-CZ 3.81Å; S210-F335 WeakPolarHBondContact O-CD1 3.46Å; L213-F335 HydrophobicContact CD2-CD1 3.53Å; L213-F335 HydrophobicContact CD2-CE1 3.53Å; L213-F335 HydrophobicContact CD2-CG 4.16Å; L213-F335 HydrophobicContact CD2-CZ 4.14Å; A312-F335 HydrophobicContact CB-CE1 4.26Å; V313-F335 HydrophobicContact CG2-CZ 4.34Å; Y316-F335 HydrophobicContact CD1-CE2 4.01Å; Y316-F335 HydrophobicContact CD1-CZ 4.26Å; Y316-F335 HydrophobicContact CD2-CD2 4.33Å; Y316-F335 AromaticContact CD2-CE2 3.74Å; Y316-F335 HydrophobicContact CD2-CE2 3.74Å; Y316-F335 HydrophobicContact CD2-CZ 4.09Å; Y316-F335 HydrophobicContact CE1-CE2 4.33Å; Y316-F335 HydrophobicContact CE2-CD2 4.42Å; Y316-F335 HydrophobicContact CE2-CE2 4.06Å; Y316-F335 AromaticContact CG-CE2 3.72Å; Y316-F335 HydrophobicContact CG-CE2 3.72Å; Y316-F335 AromaticContact CG-CZ 3.77Å; Y316-F335 HydrophobicContact CG-CZ 3.77Å
336V90.4Very high85.5Confident15 Ų1560.7 Ų60.79%0.09133%0.331CS..  trans-110120.3177.2174.70000108.9S210 R212 A214 V340 F342S210-V336 WeakPolarHBondContact CB-O 3.47Å; S210-V336 PolarHBondContact OG-O 2.66Å; R212-V336 HydrophobicContact CB-CB 4.04Å; R212-V336 PolarHBondContact O-N 2.88Å; A214-V336 HydrophobicContact CB-CG2 3.55Å; V336-V340 HydrophobicContact CG1-CB 4.04Å; V336-V340 HydrophobicContact CG1-CG1 4.43Å; V336-V340 HydrophobicContact CG1-CG2 4.42Å; V336-F342 HydrophobicContact CG1-CE2 4.14Å; V336-F342 HydrophobicContact CG1-CZ 3.87Å
337P88.4Confident85.9Confident46 Ų4663.7 Ų63.730%0.29933%0.333SS..  trans-59.9140.9176.7-23.934.1000112.7D339 V340P337-D339 PolarHBondContact O-N 3.08Å; P337-D339 VanDerWaalsContact O-N 3.09Å; P337-V340 HydrophobicContact CB-CG2 4.29Å; P337-V340 HydrophobicContact CG-CG2 4.5Å; P337-V340 WeakPolarHBondContact O-CB 3.37Å; P337-V340 PolarHBondContact O-N 2.84Å
338D84.1Confident86.4Confident97 Ų9765.5 Ų65.552%0.51934%0.342SS..THydrogen-bonded Turntrans-61.5-24.2-174.6-60.4-7.7000113.5S210 R212 V340S210-D338 WeakPolarHBondContact CB-OD1 3.2Å; S210-D338 PolarHBondContact OG-OD1 3.11Å; R212-D338 PolarHBondContact NH1-O 3.44Å; D338-V340 VanDerWaalsContact C-N 3.27Å; D338-V340 PolarHBondContact O-N 2.88Å
339D82.2Confident87Confident156 Ų15666.2 Ų66.283%0.83435%0.345SS*.THydrogen-bonded Turntrans-70.8-15.1176.1-63.7-47.1000113.7P337 T341P337-D339 PolarHBondContact O-N 3.08Å; P337-D339 VanDerWaalsContact O-N 3.09Å; D339-T341 PolarHBondContact O-N 3.17Å
340V84.8Confident87.4Confident59 Ų5965.9 Ų65.936%0.35834%0.342SS..  trans-77.3118.2178.4-178.40000109.7R212 V336 P337 D338 F342R212-V340 PolarHBondContact NH1-O 2.9Å; V336-V340 HydrophobicContact CG1-CB 4.04Å; V336-V340 HydrophobicContact CG1-CG1 4.43Å; V336-V340 HydrophobicContact CG1-CG2 4.42Å; P337-V340 HydrophobicContact CB-CG2 4.29Å; P337-V340 HydrophobicContact CG-CG2 4.5Å; P337-V340 WeakPolarHBondContact O-CB 3.37Å; P337-V340 PolarHBondContact O-N 2.84Å; D338-V340 VanDerWaalsContact C-N 3.27Å; D338-V340 PolarHBondContact O-N 2.88Å; V340-F342 HydrophobicContact CG1-CE1 4.03Å; V340-F342 HydrophobicContact CG1-CE2 4.31Å; V340-F342 HydrophobicContact CG1-CZ 3.84Å
341T81.1Confident87.5Confident107 Ų10767.6 Ų67.666%0.65635%0.353SS*.  trans-95.4149.3171.641.70000110.4D339D339-T341 PolarHBondContact O-N 3.17Å
342F83.6Confident87.3Confident60 Ų6072.8 Ų72.826%0.26338%0.381SS..  trans-117.191177.6-62.5-73.6000108.1F248 Y301 V303 V336 V340 E344F248-F342 HydrophobicContact CD1-CB 4.37Å; F248-F342 HydrophobicContact CD2-CG 4.46Å; F248-F342 HydrophobicContact CE1-CB 3.87Å; F248-F342 HydrophobicContact CE2-CB 4.11Å; F248-F342 HydrophobicContact CE2-CD2 4.29Å; F248-F342 HydrophobicContact CE2-CG 4.1Å; F248-F342 HydrophobicContact CZ-CB 3.72Å; F248-F342 HydrophobicContact CZ-CG 4.21Å; Y301-F342 AromaticContact CE2-CD1 3.94Å; Y301-F342 HydrophobicContact CE2-CD1 3.94Å; Y301-F342 AromaticContact CE2-CE1 3.58Å; Y301-F342 HydrophobicContact CE2-CE1 3.58Å; Y301-F342 HydrophobicContact CE2-CZ 4.34Å; Y301-F342 VanDerWaalsContact OH-CD1 3.31Å; Y301-F342 WeakPolarHBondContact OH-CD1 3.46Å; V303-F342 HydrophobicContact CG1-CE2 4.01Å; V303-F342 HydrophobicContact CG2-CD2 4.35Å; V303-F342 HydrophobicContact CG2-CE1 4.21Å; V303-F342 HydrophobicContact CG2-CE2 3.81Å; V303-F342 HydrophobicContact CG2-CZ 3.72Å; V336-F342 HydrophobicContact CG1-CE2 4.14Å; V336-F342 HydrophobicContact CG1-CZ 3.87Å; V340-F342 HydrophobicContact CG1-CE1 4.03Å; V340-F342 HydrophobicContact CG1-CE2 4.31Å; V340-F342 HydrophobicContact CG1-CZ 3.84Å; F342-E344 PolarHBondContact O-N 2.79Å; F342-E344 VanDerWaalsContact O-N 3.09Å
343D78.8Confident86.8Confident150 Ų15073.7 Ų73.780%0.80239%0.387SS*.  trans-76.512.5-175.7-60.8-11.2000113
344E84.4Confident86.3Confident56 Ų5678.8 Ų78.826%0.26241%0.414SS..SBendtrans-111.8146.5-170-46.3-153.8131.800112.1F248 K254 F342 P346F248-E344 HydrophobicContact CD1-CB 4.47Å; F248-E344 WeakPolarHBondContact CD1-O 3.42Å; F248-E344 VanDerWaalsContact CE1-O 3.24Å; F248-E344 WeakPolarHBondContact CE1-O 3.25Å; K254-E344 WeakPolarHBondContact CE-OE2 3.43Å; K254-E344 IonicContact NZ-OE1 3.21Å; K254-E344 PolarHBondContact NZ-OE1 2.97Å; K254-E344 IonicContact NZ-OE2 3.63Å; K254-E344 PolarHBondContact NZ-OE2 3.01Å; F342-E344 PolarHBondContact O-N 2.79Å; F342-E344 VanDerWaalsContact O-N 3.09Å; E344-P346 WeakPolarHBondContact O-CD 3.27Å
345E86.6Confident85.8Confident177 Ų17780.2 Ų80.283%0.82743%0.427SS*.  trans-65.8123.3176.3-66.3176171.800111.3
346P90Very high85.2Confident53 Ų5386.5 Ų86.534%0.34447%0.467SS..  trans-72.1136.1174.629.1-33000110.6K246 I247 F248 E344 D348 V349K246-P346 HydrophobicContact CB-CB 4.4Å; I247-P346 CarbonylContact O-C 3.52Å; I247-P346 WeakPolarHBondContact O-CA 3.48Å; F248-P346 HydrophobicContact CD1-CB 3.98Å; F248-P346 HydrophobicContact CE1-CB 3.81Å; F248-P346 HydrophobicContact CE1-CG 4.25Å; F248-P346 HydrophobicContact CZ-CB 4.33Å; E344-P346 WeakPolarHBondContact O-CD 3.27Å; P346-D348 VanDerWaalsContact C-N 3.31Å; P346-D348 PolarHBondContact O-N 3.44Å; P346-V349 HydrophobicContact CB-CG2 3.73Å; P346-V349 HydrophobicContact CG-CG2 3.45Å; P346-V349 VanDerWaalsContact CG-CG2 3.45Å
347R88.1Confident84.9Confident128 Ų12889.7 Ų89.748%0.48350%0.495SS..SBendtrans-66.7-32.6175.6169.5173.9166.1113.6-20.1112.4D221 I247 F300D221-R347 IonicContact OD1-NH2 3.53Å; I247-R347 PolarHBondContact O-N 3.17Å; F300-R347 HydrophobicContact CE1-CB 4.33Å; F300-R347 HydrophobicContact CE1-CG 4.41Å
348D90.3Very high84.8Confident40 Ų4090 Ų9021%0.21449%0.491CS..EExtended strand (participates in β ladder)trans-153.2148.5178.7-173.124.6000110.3K224 A225 I247 P346K224-D348 WeakPolarHBondContact CB-OD2 3.19Å; A225-D348 HydrophobicContact CB-CB 4.17Å; A225-D348 VanDerWaalsContact CB-OD2 3.29Å; A225-D348 WeakPolarHBondContact CB-OD2 3.45Å; A225-D348 PolarHBondContact N-OD2 3Å; I247-D348 HydrophobicContact CD1-CB 4.48Å; I247-D348 PolarHBondContact N-O 3.34Å; P346-D348 VanDerWaalsContact C-N 3.31Å; P346-D348 PolarHBondContact O-N 3.44Å
349V93.6Very high84.7Confident66 Ų6690.7 Ų90.740%0.450%0.499SS..EExtended strand (participates in β ladder)trans-142128.3-175.2-179.50000109.6V245 K246 P346 T351V245-V349 WeakPolarHBondContact O-CA 2.82Å; K246-V349 HydrophobicContact CG-CG1 4.16Å; K246-V349 HydrophobicContact CG-CG2 4.25Å; P346-V349 HydrophobicContact CB-CG2 3.73Å; P346-V349 HydrophobicContact CG-CG2 3.45Å; P346-V349 VanDerWaalsContact CG-CG2 3.45Å; V349-T351 HydrophobicContact CG1-CG2 4.4Å
350A91.9Very high84.7Confident2 Ų286.2 Ų86.22%0.01748%0.478CS..EExtended strand (participates in β ladder)trans-125.2129.8172.500000110.6A225 K226 L229 S244 V245A225-A350 HydrophobicContact CB-CB 3.85Å; K226-A350 HydrophobicContact CB-CB 4.45Å; K226-A350 HydrophobicContact CG-CB 3.84Å; L229-A350 HydrophobicContact CB-CB 4.17Å; L229-A350 HydrophobicContact CD2-CB 3.77Å; S244-A350 CarbonylContact C-O 3.57Å; S244-A350 VanDerWaalsContact CA-O 3.31Å; S244-A350 WeakPolarHBondContact CA-O 3.44Å; V245-A350 PolarHBondContact N-O 2.95Å; V245-A350 PolarHBondContact O-N 2.9Å
351T89.7Confident84.5Confident102 Ų10285.3 Ų85.363%0.62647%0.469SS*.SBendtrans-122.2-20.6177.450.80000113V349V349-T351 HydrophobicContact CG1-CG2 4.4Å
352D83.4Confident84.6Confident112 Ų11286.2 Ų86.260%0.59947%0.469SS*.  trans-143.8142.7172175.938.1000109.4N354D352-N354 PolarHBondContact OD2-ND2 3.23Å; D352-N354 VanDerWaalsContact OD2-ND2 3.12Å
353V80.9Confident84.6Confident24 Ų2484.2 Ų84.215%0.14546%0.46CS..  trans-136.8120.5171.5171.70000108.8K226 L229 A230 L355 Y358K226-V353 HydrophobicContact CB-CG2 3.93Å; K226-V353 HydrophobicContact CG-CG2 4.19Å; L229-V353 HydrophobicContact CB-CG2 4.15Å; L229-V353 HydrophobicContact CD2-CG2 3.99Å; L229-V353 HydrophobicContact CG-CG2 4.1Å; A230-V353 HydrophobicContact CB-CG1 4.14Å; V353-L355 VanDerWaalsContact C-N 3.33Å; V353-L355 PolarHBondContact O-N 3.37Å; V353-Y358 HydrophobicContact CG1-CD2 4.1Å; V353-Y358 HydrophobicContact CG1-CG 4.3Å
354N79.3Confident84.8Confident109 Ų10981.3 Ų81.358%0.58345%0.449SS*.  trans-74.786.4175.6-82-111.6000109.8D352 T356 A357 Y358D352-N354 PolarHBondContact OD2-ND2 3.23Å; D352-N354 VanDerWaalsContact OD2-ND2 3.12Å; N354-T356 PolarHBondContact O-N 3.48Å; N354-A357 HydrophobicContact CB-CB 4.4Å; N354-A357 CarbonylContact O-C 3.54Å; N354-A357 WeakPolarHBondContact O-CA 3.48Å; N354-A357 PolarHBondContact O-N 3.01Å; N354-Y358 PolarHBondContact O-N 2.86Å; N354-Y358 VanDerWaalsContact O-N 3.1Å
355L78.6Confident84.8Confident105 Ų10579.4 Ų79.455%0.5544%0.441SS..G310 helixtrans-45-37.8-178.3-71.6157.3000113.9V353 A357 Y358V353-L355 VanDerWaalsContact C-N 3.33Å; V353-L355 PolarHBondContact O-N 3.37Å; L355-A357 VanDerWaalsContact C-N 3.28Å; L355-A357 PolarHBondContact O-N 3.26Å; L355-Y358 PolarHBondContact O-N 2.91Å
356T79.9Confident84.5Confident152 Ų15272.2 Ų72.293%0.93341%0.41SS*.G310 helixtrans-67.9-22.3178.5-370000114.3N354N354-T356 PolarHBondContact O-N 3.48Å
357A82.6Confident84.1Confident83 Ų8369.9 Ų69.969%0.68640%0.396SS*.G310 helixtrans-110.4-1.4179.400000112.7N354 L355N354-A357 HydrophobicContact CB-CB 4.4Å; N354-A357 CarbonylContact O-C 3.54Å; N354-A357 WeakPolarHBondContact O-CA 3.48Å; N354-A357 PolarHBondContact O-N 3.01Å; L355-A357 VanDerWaalsContact C-N 3.28Å; L355-A357 PolarHBondContact O-N 3.26Å
358Y86.1Confident83.6Confident52 Ų5265.6 Ų65.620%0.20439%0.388CS..  trans-76.2133.7177179.2-102.2000110.5D227 A230 Y324 V353 N354 L355 P360D227-Y358 WeakPolarHBondContact CA-OH 3.48Å; D227-Y358 WeakPolarHBondContact CB-OH 3.29Å; D227-Y358 WeakPolarHBondContact OD1-CE2 3.36Å; D227-Y358 PolarHBondContact OD1-OH 2.83Å; A230-Y358 HydrophobicContact CB-CD1 3.8Å; A230-Y358 HydrophobicContact CB-CD2 4.06Å; A230-Y358 HydrophobicContact CB-CE1 3.67Å; A230-Y358 HydrophobicContact CB-CE2 3.95Å; A230-Y358 HydrophobicContact CB-CG 4Å; Y324-Y358 PolarHBondContact OH-OH 3.23Å; V353-Y358 HydrophobicContact CG1-CD2 4.1Å; V353-Y358 HydrophobicContact CG1-CG 4.3Å; N354-Y358 PolarHBondContact O-N 2.86Å; N354-Y358 VanDerWaalsContact O-N 3.1Å; L355-Y358 PolarHBondContact O-N 2.91Å; Y358-P360 HydrophobicContact CE1-CB 3.9Å
359T82.9Confident83.1Confident112 Ų11266.4 Ų66.469%0.68740%0.4SS*.  trans-121.8114.717354.70000108.2
360P82.1Confident82.5Confident61 Ų6165.2 Ų65.240%0.39640%0.395SS..  trans-64.6154.3179.526.9-34000111.8E325 Y358E325-P360 WeakPolarHBondContact OE1-CB 3.43Å; E325-P360 WeakPolarHBondContact OE1-CG 3.41Å; Y358-P360 HydrophobicContact CE1-CB 3.9Å
361K81.6Confident82Confident40 Ų4070 Ų7017%0.17443%0.428CS..  trans-97.997.6179.9-65.7168.1-175.9161.60109R222 K224 D227 F363 E383R222-K361 WeakPolarHBondContact O-CD 3.44Å; R222-K361 PolarHBondContact O-NZ 3.17Å; K224-K361 VanDerWaalsContact CG-NZ 3.3Å; D227-K361 IonicContact OD1-NZ 2.84Å; D227-K361 IonicContact OD2-NZ 2.69Å; D227-K361 PolarHBondContact OD2-NZ 3.26Å; K361-F363 HydrophobicContact CB-CD1 4.5Å; K361-F363 WeakPolarHBondContact O-CD1 3.27Å; K361-F363 PolarHBondContact O-N 3.25Å; K361-E383 WeakPolarHBondContact CE-OE1 3.48Å; K361-E383 IonicContact NZ-OE1 3.02Å; K361-E383 PolarHBondContact NZ-OE1 2.73Å
362L82.1Confident81.5Confident127 Ų12772.1 Ų72.167%0.66543%0.429SS*.  trans-66.4117.2168.5-60.9173.6000109.5
363F84.2Confident81.5Confident17 Ų1767.2 Ų67.28%0.07540%0.402CS..  trans-141.6170.4169.866.4-92000110D219 R222 L223 Y324 S327 K361D219-F363 HydrophobicContact CB-CE2 3.85Å; D219-F363 HydrophobicContact CB-CZ 4Å; R222-F363 HydrophobicContact CB-CD1 3.95Å; R222-F363 HydrophobicContact CB-CE1 3.91Å; R222-F363 HydrophobicContact CB-CE2 4.44Å; R222-F363 HydrophobicContact CB-CG 4.29Å; R222-F363 HydrophobicContact CB-CZ 4.16Å; R222-F363 VanDerWaalsContact CD-CG 3.49Å; R222-F363 HydrophobicContact CG-CG 4.47Å; L223-F363 HydrophobicContact CD1-CZ 4.13Å; L223-F363 HydrophobicContact CD2-CE1 3.99Å; L223-F363 HydrophobicContact CD2-CZ 4.35Å; L223-F363 HydrophobicContact CG-CE1 3.97Å; L223-F363 HydrophobicContact CG-CZ 3.95Å; Y324-F363 HydrophobicContact CD1-CE1 4.29Å; Y324-F363 HydrophobicContact CE1-CE1 4.25Å; S327-F363 VanDerWaalsContact CA-O 3.25Å; S327-F363 WeakPolarHBondContact CA-O 3.37Å; K361-F363 HydrophobicContact CB-CD1 4.5Å; K361-F363 WeakPolarHBondContact O-CD1 3.27Å; K361-F363 PolarHBondContact O-N 3.25Å
364T83Confident81.4Confident90 Ų9071.1 Ų71.155%0.55242%0.419SS*.  trans-131.6131.117346.90000109.2S326 S366S326-T364 WeakPolarHBondContact O-CG2 3.29Å; T364-S366 PolarHBondContact O-N 3.49Å
365S83.1Confident81.6Confident15 Ų1569.4 Ų69.411%0.10541%0.41CS..  trans-81.2105.1179.3-158.50000109.9D219 S327 A367 A368 A369D219-S365 VanDerWaalsContact OD2-CB 3.3Å; D219-S365 WeakPolarHBondContact OD2-CB 3.35Å; D219-S365 PolarHBondContact OD2-OG 2.98Å; S327-S365 WeakPolarHBondContact O-CB 3.48Å; S327-S365 PolarHBondContact O-N 3.25Å; S365-A367 PolarHBondContact O-N 3.07Å; S365-A368 PolarHBondContact O-N 3.29Å; S365-A368 VanDerWaalsContact O-N 3.15Å; S365-A369 WeakPolarHBondContact O-CB 3.42Å; S365-A369 PolarHBondContact O-N 3.04Å
366S81.1Confident81.6Confident26 Ų2665.3 Ų65.318%0.18239%0.389CS..Hα-helixtrans-61.4-27.9-172.472.80000114T364 S370 Q374T364-S366 PolarHBondContact O-N 3.49Å; S366-S370 PolarHBondContact O-N 3.27Å; S366-S370 PolarHBondContact O-OG 3.46Å; S366-Q374 WeakPolarHBondContact OG-CB 2.77Å; S366-Q374 PolarHBondContact OG-N 2.88Å
367A81.8Confident81.5Confident4 Ų463.9 Ų63.93%0.03337%0.367CS..Hα-helixtrans-64.7-45.4176.400000111.7W196 R290 Q293 S365 V373W196-A367 WeakPolarHBondContact CH2-O 3.16Å; R290-A367 HydrophobicContact CG-CB 4.16Å; R290-A367 PolarHBondContact NE-O 2.85Å; R290-A367 PolarHBondContact NH2-O 2.72Å; Q293-A367 HydrophobicContact CB-CB 3.87Å; Q293-A367 HydrophobicContact CG-CB 4.08Å; S365-A367 PolarHBondContact O-N 3.07Å; A367-V373 HydrophobicContact CB-CG1 4.14Å
368A77.6Confident81.1Confident39 Ų3966.6 Ų66.632%0.32237%0.37SS..Hα-helixtrans-78.8-46.2-179.800000113C328 S365C328-A368 HydrophobicContact CB-CB 4.1Å; S365-A368 PolarHBondContact O-N 3.29Å; S365-A368 VanDerWaalsContact O-N 3.15Å
369A79.9Confident80.8Confident56 Ų5668.6 Ų68.646%0.46338%0.381SS..Hα-helixtrans-89.3-7.9-167.400000115.2C328 S365C328-A369 HydrophobicContact CB-CB 4.31Å; S365-A369 WeakPolarHBondContact O-CB 3.42Å; S365-A369 PolarHBondContact O-N 3.04Å
370S81Confident80.6Confident42 Ų4265.6 Ų65.629%0.29436%0.363SS..  trans-139.5160.5-173.484.70000114R290 S366 K372R290-S370 PolarHBondContact NH2-O 3.08Å; S366-S370 PolarHBondContact O-N 3.27Å; S366-S370 PolarHBondContact O-OG 3.46Å; S370-K372 PolarHBondContact OG-O 3.15Å
371S80.4Confident80.4Confident103 Ų10365.8 Ų65.872%0.7236%0.36SS*.SBendtrans-77.6-30.3170.852.70000113.1R286R286-S371 WeakPolarHBondContact CD-O 3.44Å
372K80.3Confident80.2Confident146 Ų14667.7 Ų67.764%0.63537%0.369SS*.SBendtrans-10384.9177.8-168.6166.6-176.6157.90111.2S370 Q374S370-K372 PolarHBondContact OG-O 3.15Å; K372-Q374 PolarHBondContact O-N 3.06Å; K372-Q374 PolarHBondContact O-NE2 3.22Å
373V82.6Confident80Confident8 Ų865.7 Ų65.75%0.04836%0.357CS..  trans-49.2133.4172.7-166.50000110.7R286 L289 R290 Q293 A367R286-V373 WeakPolarHBondContact O-CG2 3.07Å; L289-V373 HydrophobicContact CB-CB 4.27Å; L289-V373 HydrophobicContact CB-CG1 4.1Å; R290-V373 HydrophobicContact CB-CG2 4.19Å; R290-V373 VanDerWaalsContact CD-CG2 3.43Å; R290-V373 HydrophobicContact CG-CG1 4.46Å; R290-V373 HydrophobicContact CG-CG2 3.47Å; R290-V373 VanDerWaalsContact CG-CG2 3.47Å; Q293-V373 HydrophobicContact CG-CG1 4.23Å; A367-V373 HydrophobicContact CB-CG1 4.14Å
374Q80Confident80Confident107 Ų10771.4 Ų71.450%0.538%0.378SS..  trans-98.8136.8172.3-56.1-57.7-61.600110S366 K372 T376S366-Q374 WeakPolarHBondContact OG-CB 2.77Å; S366-Q374 PolarHBondContact OG-N 2.88Å; K372-Q374 PolarHBondContact O-N 3.06Å; K372-Q374 PolarHBondContact O-NE2 3.22Å; Q374-T376 PolarHBondContact O-N 3.36Å
375L82.2Confident80Confident73 Ų7369.5 Ų69.538%0.38237%0.366SS..  trans-77.1104.217817853.8000111L268 L289 Y292 W377L268-L375 HydrophobicContact CD1-CD1 3.41Å; L268-L375 VanDerWaalsContact CD1-CD1 3.41Å; L268-L375 HydrophobicContact CD1-CD2 3.89Å; L268-L375 HydrophobicContact CD1-CG 4.31Å; L289-L375 HydrophobicContact CD2-CB 3.99Å; L289-L375 HydrophobicContact CD2-CD1 3.87Å; L289-L375 HydrophobicContact CD2-CD2 4.5Å; L289-L375 HydrophobicContact CD2-CG 4.33Å; Y292-L375 HydrophobicContact CD1-CD1 4.43Å; Y292-L375 HydrophobicContact CE1-CD1 4.36Å; L375-W377 VanDerWaalsContact C-N 3.28Å; L375-W377 HydrophobicContact CD1-CB 3.64Å; L375-W377 HydrophobicContact CG-CB 4.06Å; L375-W377 PolarHBondContact O-N 3.02Å
376T79.7Confident79.8Confident19 Ų1972.1 Ų72.112%0.11738%0.381CS..  trans-79.7-0.2179.466.40000114.5Q293 R296 Q374 D378 E379Q293-T376 PolarHBondContact NE2-OG1 2.94Å; Q293-T376 PolarHBondContact OE1-OG1 2.97Å; R296-T376 PolarHBondContact NH1-O 3.15Å; R296-T376 PolarHBondContact NH1-OG1 3.02Å; Q374-T376 PolarHBondContact O-N 3.36Å; T376-D378 PolarHBondContact O-N 2.87Å; T376-E379 WeakPolarHBondContact O-CB 3.48Å; T376-E379 PolarHBondContact O-N 3.27Å
377W77.4Confident79.8Confident121 Ų12173.7 Ų73.746%0.45840%0.396SS..THydrogen-bonded Turntrans-62.1-46.8-169.518069.2000113.1P265 Y292 L375P265-W377 HydrophobicContact CG-CD2 3.67Å; P265-W377 HydrophobicContact CG-CE3 4.41Å; P265-W377 HydrophobicContact CG-CG 3.69Å; P265-W377 HydrophobicContact CG-CZ2 4.28Å; Y292-W377 HydrophobicContact CE1-CB 4.4Å; L375-W377 VanDerWaalsContact C-N 3.28Å; L375-W377 HydrophobicContact CD1-CB 3.64Å; L375-W377 HydrophobicContact CG-CB 4.06Å; L375-W377 PolarHBondContact O-N 3.02Å
378D74.6Confident79.8Confident140 Ų14079.3 Ų79.375%0.74943%0.425SS*.THydrogen-bonded Turntrans-104.422.9174.4-161.727000111.7T376 T380T376-D378 PolarHBondContact O-N 2.87Å; D378-T380 PolarHBondContact O-N 2.72Å
379E79.1Confident79.9Confident95 Ų9583.2 Ų83.244%0.44444%0.44SS..  trans-70.4127.4174.3-171.3179.9-176.600109.7R222 T376 D381R222-E379 IonicContact CZ-OE1 3.51Å; R222-E379 IonicContact CZ-OE2 3.92Å; R222-E379 IonicContact NH1-OE1 3.11Å; R222-E379 IonicContact NH2-OE1 2.89Å; R222-E379 PolarHBondContact NH2-OE1 3.3Å; R222-E379 IonicContact NH2-OE2 3.47Å; R222-E379 PolarHBondContact NH2-OE2 2.61Å; T376-E379 WeakPolarHBondContact O-CB 3.48Å; T376-E379 PolarHBondContact O-N 3.27Å; E379-D381 PolarHBondContact O-N 3.07Å
380T79.3Confident80Confident49 Ų4987.1 Ų87.130%0.30144%0.443SS..  trans-66.2127.5176.6-76.50000110.7D378 H382 R384 V385D378-T380 PolarHBondContact O-N 2.72Å; T380-H382 PolarHBondContact O-N 3.03Å; T380-R384 HydrophobicContact CG2-CB 4.18Å; T380-R384 HydrophobicContact CG2-CG 4.27Å; T380-R384 PolarHBondContact OG1-NH2 2.9Å; T380-V385 HydrophobicContact CG2-CG2 3.65Å
381D78.4Confident79.9Confident65 Ų6594.4 Ų94.435%0.34847%0.469SS..  trans-44.6125176.4-171.5-41000111K224 E379 E383 R384 V385K224-D381 IonicContact NZ-OD1 2.68Å; K224-D381 IonicContact NZ-OD2 3.44Å; K224-D381 PolarHBondContact NZ-OD2 3.22Å; E379-D381 PolarHBondContact O-N 3.07Å; D381-E383 PolarHBondContact O-N 2.72Å; D381-E383 VanDerWaalsContact O-N 3.15Å; D381-E383 WeakPolarHBondContact OD1-CB 3.44Å; D381-E383 PolarHBondContact OD1-N 3.38Å; D381-R384 WeakPolarHBondContact O-CA 3.36Å; D381-R384 WeakPolarHBondContact O-CB 3.41Å; D381-R384 PolarHBondContact O-N 2.69Å; D381-V385 PolarHBondContact O-N 2.81Å
382H76.6Confident79.9Confident79 Ų7993.9 Ų93.937%0.36645%0.454SS..Hα-helixtrans-60.2-25.1-175.6-167-109.6000112.9T380 V385 T386T380-H382 PolarHBondContact O-N 3.03Å; H382-V385 PolarHBondContact O-N 3.28Å; H382-T386 VanDerWaalsContact CE1-CG2 3.47Å; H382-T386 WeakPolarHBondContact CE1-CG2 3.16Å; H382-T386 WeakPolarHBondContact O-CB 3.2Å; H382-T386 WeakPolarHBondContact O-CG2 3.37Å; H382-T386 PolarHBondContact O-N 3.29Å; H382-T386 PolarHBondContact O-OG1 3.21Å
383E77.6Confident79.9Confident85 Ų8591.8 Ų91.840%0.39745%0.45SS..Hα-helixtrans-68.1-37.1171.7-64.6-179.5-174.500111.3K224 K361 D381 T386 A387K224-E383 WeakPolarHBondContact CE-OE1 3.45Å; K224-E383 WeakPolarHBondContact CG-OE1 3.32Å; K361-E383 WeakPolarHBondContact CE-OE1 3.48Å; K361-E383 IonicContact NZ-OE1 3.02Å; K361-E383 PolarHBondContact NZ-OE1 2.73Å; D381-E383 PolarHBondContact O-N 2.72Å; D381-E383 VanDerWaalsContact O-N 3.15Å; D381-E383 WeakPolarHBondContact OD1-CB 3.44Å; D381-E383 PolarHBondContact OD1-N 3.38Å; E383-T386 WeakPolarHBondContact CA-OG1 3.44Å; E383-T386 PolarHBondContact O-OG1 3.47Å; E383-A387 WeakPolarHBondContact O-CB 3.39Å; E383-A387 PolarHBondContact O-N 2.9Å
384R83.7Confident79.8Confident138 Ų13899.6 Ų99.652%0.52148%0.483SS..Hα-helixtrans-69.6-40.3171-178.516267.581.5-6.6111.5T380 D381 L388T380-R384 HydrophobicContact CG2-CB 4.18Å; T380-R384 HydrophobicContact CG2-CG 4.27Å; T380-R384 PolarHBondContact OG1-NH2 2.9Å; D381-R384 WeakPolarHBondContact O-CA 3.36Å; D381-R384 WeakPolarHBondContact O-CB 3.41Å; D381-R384 PolarHBondContact O-N 2.69Å; R384-L388 HydrophobicContact CG-CD1 3.8Å; R384-L388 HydrophobicContact CG-CG 4.44Å; R384-L388 WeakPolarHBondContact O-CB 3.46Å; R384-L388 VanDerWaalsContact O-CG 3.26Å; R384-L388 WeakPolarHBondContact O-CG 3.38Å; R384-L388 PolarHBondContact O-N 3.22Å; R384-L388 VanDerWaalsContact O-N 3.1Å
385V84.1Confident79.9Confident49 Ų49101.9 Ų101.930%0.29749%0.494SS..Hα-helixtrans-60.7-50.9175.2-1760000111T380 D381 H382 L388 N389T380-V385 HydrophobicContact CG2-CG2 3.65Å; D381-V385 PolarHBondContact O-N 2.81Å; H382-V385 PolarHBondContact O-N 3.28Å; V385-L388 PolarHBondContact O-N 2.92Å; V385-N389 WeakPolarHBondContact CG1-ND2 3.31Å; V385-N389 VanDerWaalsContact O-CB 3.26Å; V385-N389 WeakPolarHBondContact O-CB 3.46Å; V385-N389 PolarHBondContact O-N 3.48Å; V385-N389 PolarHBondContact O-ND2 3.4Å
386T79.3Confident80Confident71 Ų71100.8 Ų100.844%0.43649%0.487SS..Hα-helixtrans-71-34.7-176.351.30000112.8H382 E383 R390H382-T386 VanDerWaalsContact CE1-CG2 3.47Å; H382-T386 WeakPolarHBondContact CE1-CG2 3.16Å; H382-T386 WeakPolarHBondContact O-CB 3.2Å; H382-T386 WeakPolarHBondContact O-CG2 3.37Å; H382-T386 PolarHBondContact O-N 3.29Å; H382-T386 PolarHBondContact O-OG1 3.21Å; E383-T386 WeakPolarHBondContact CA-OG1 3.44Å; E383-T386 PolarHBondContact O-OG1 3.47Å; T386-R390 PolarHBondContact O-N 2.78Å
387A80.3Confident80.1Confident58 Ų58104.5 Ų104.548%0.47951%0.506SS..Hα-helixtrans-65.1-42.5172.500000112.5E383E383-A387 WeakPolarHBondContact O-CB 3.39Å; E383-A387 PolarHBondContact O-N 2.9Å
388L81.4Confident80.4Confident122 Ų122103.4 Ų103.464%0.63951%0.508SS*.Hα-helixtrans-72.4-35.4178-70.5171000112.7R384 V385 R390R384-L388 HydrophobicContact CG-CD1 3.8Å; R384-L388 HydrophobicContact CG-CG 4.44Å; R384-L388 WeakPolarHBondContact O-CB 3.46Å; R384-L388 VanDerWaalsContact O-CG 3.26Å; R384-L388 WeakPolarHBondContact O-CG 3.38Å; R384-L388 PolarHBondContact O-N 3.22Å; R384-L388 VanDerWaalsContact O-N 3.1Å; V385-L388 PolarHBondContact O-N 2.92Å; L388-R390 VanDerWaalsContact C-N 3.35Å
389N80.4Confident80.9Confident121 Ų121102.1 Ų102.165%0.64750%0.501SS*.THydrogen-bonded Turntrans-88.63.5178.9-68.9-29.3000113.7V385 K391V385-N389 WeakPolarHBondContact CG1-ND2 3.31Å; V385-N389 VanDerWaalsContact O-CB 3.26Å; V385-N389 WeakPolarHBondContact O-CB 3.46Å; V385-N389 PolarHBondContact O-N 3.48Å; V385-N389 PolarHBondContact O-ND2 3.4Å; N389-K391 PolarHBondContact O-N 3.18Å
390R81.7Confident81Confident138 Ų138101.5 Ų101.552%0.52150%0.501SS..  trans-61.1121.9176-175.7179.6-179.4117.32.7109.8T386 L388 F392 E396T386-R390 PolarHBondContact O-N 2.78Å; L388-R390 VanDerWaalsContact C-N 3.35Å; R390-F392 VanDerWaalsContact C-N 3.33Å; R390-F392 HydrophobicContact CB-CE1 4.26Å; R390-F392 HydrophobicContact CB-CE2 4.48Å; R390-F392 HydrophobicContact CB-CZ 4.15Å; R390-F392 HydrophobicContact CG-CD1 4.3Å; R390-F392 HydrophobicContact CG-CE1 4.22Å; R390-F392 VanDerWaalsContact O-CD2 3.27Å; R390-F392 WeakPolarHBondContact O-CD2 3.33Å; R390-F392 WeakPolarHBondContact O-CE2 3.45Å; R390-F392 PolarHBondContact O-N 2.87Å; R390-E396 IonicContact CZ-OE1 2.77Å; R390-E396 IonicContact CZ-OE2 3.24Å; R390-E396 IonicContact NE-OE1 3.69Å; R390-E396 IonicContact NE-OE2 3.83Å; R390-E396 PolarHBondContact NE-OE2 2.86Å; R390-E396 IonicContact NH2-OE1 2.61Å; R390-E396 PolarHBondContact NH2-OE1 2.62Å; R390-E396 IonicContact NH2-OE2 3.11Å; R390-E396 PolarHBondContact NH2-OE2 2.83Å; R390-E396 VanDerWaalsContact NH2-OE2 3.12Å
391K79Confident81.1Confident196 Ų196104.5 Ų104.585%0.85252%0.515SS*.  trans-74.486.6170.6-67.1176179.3170.40109.1N389 N393N389-K391 PolarHBondContact O-N 3.18Å; K391-N393 PolarHBondContact O-N 2.78Å
392F79.7Confident81.4Confident91 Ų91107.6 Ų107.640%0.39953%0.525SS..  trans-57.7127.3179.5-61.6-75.1000111.7R390 L397 L400R390-F392 VanDerWaalsContact C-N 3.33Å; R390-F392 HydrophobicContact CB-CE1 4.26Å; R390-F392 HydrophobicContact CB-CE2 4.48Å; R390-F392 HydrophobicContact CB-CZ 4.15Å; R390-F392 HydrophobicContact CG-CD1 4.3Å; R390-F392 HydrophobicContact CG-CE1 4.22Å; R390-F392 VanDerWaalsContact O-CD2 3.27Å; R390-F392 WeakPolarHBondContact O-CD2 3.33Å; R390-F392 WeakPolarHBondContact O-CE2 3.45Å; R390-F392 PolarHBondContact O-N 2.87Å; F392-L397 HydrophobicContact CB-CB 4.42Å; F392-L397 HydrophobicContact CB-CD1 3.87Å; F392-L397 HydrophobicContact CD2-CD1 4.17Å; F392-L397 HydrophobicContact CG-CD1 3.95Å; F392-L400 HydrophobicContact CD1-CD1 3.59Å; F392-L400 HydrophobicContact CE1-CD1 3.39Å; F392-L400 HydrophobicContact CZ-CD1 4.36Å
393N81.8Confident81.6Confident103 Ų103111 Ų11155%0.55154%0.539SS*.  trans-70.6154.5163.7-73-58.5000109.9K391 E395 E396 L397K391-N393 PolarHBondContact O-N 2.78Å; N393-E395 PolarHBondContact O-N 2.98Å; N393-E395 VanDerWaalsContact O-N 3.17Å; N393-E396 HydrophobicContact CB-CB 4.48Å; N393-E396 HydrophobicContact CB-CG 4.11Å; N393-E396 PolarHBondContact O-N 3.1Å; N393-L397 PolarHBondContact O-N 3.06Å
394K79.9Confident81.8Confident172 Ų172109.8 Ų109.875%0.74854%0.544SS*.Hα-helixtrans-58.6-32.7-178.4-173.8-178.9176-1720112.9L398K394-L398 WeakPolarHBondContact O-CG 3.38Å; K394-L398 PolarHBondContact O-N 2.87Å
395E82.6Confident81.5Confident154 Ų154111.9 Ų111.972%0.7255%0.553SS**Hα-helixtrans-74.6-46.7178.5-64.5175.4165.900110.7N393 L397 L398 D399N393-E395 PolarHBondContact O-N 2.98Å; N393-E395 VanDerWaalsContact O-N 3.17Å; E395-L397 PolarHBondContact O-N 3.22Å; E395-L398 WeakPolarHBondContact O-CB 3.27Å; E395-L398 PolarHBondContact O-N 2.99Å; E395-D399 PolarHBondContact O-N 3.48Å
396E82.9Confident81Confident50 Ų50114.3 Ų114.323%0.23456%0.564CS.*Hα-helixtrans-55.3-39.5171.2-63.6178.6-174.700112.6R390 N393 L398 D399 L400R390-E396 IonicContact CZ-OE1 2.77Å; R390-E396 IonicContact CZ-OE2 3.24Å; R390-E396 IonicContact NE-OE1 3.69Å; R390-E396 IonicContact NE-OE2 3.83Å; R390-E396 PolarHBondContact NE-OE2 2.86Å; R390-E396 IonicContact NH2-OE1 2.61Å; R390-E396 PolarHBondContact NH2-OE1 2.62Å; R390-E396 IonicContact NH2-OE2 3.11Å; R390-E396 PolarHBondContact NH2-OE2 2.83Å; R390-E396 VanDerWaalsContact NH2-OE2 3.12Å; N393-E396 HydrophobicContact CB-CB 4.48Å; N393-E396 HydrophobicContact CB-CG 4.11Å; N393-E396 PolarHBondContact O-N 3.1Å; E396-L398 VanDerWaalsContact C-N 3.34Å; E396-D399 PolarHBondContact O-N 3.08Å; E396-L400 WeakPolarHBondContact O-CB 3.36Å; E396-L400 VanDerWaalsContact O-CG 3.24Å; E396-L400 WeakPolarHBondContact O-CG 3.26Å; E396-L400 PolarHBondContact O-N 3.44Å
397L82.1Confident80Confident98 Ų98114 Ų11451%0.51357%0.568SS.*Hα-helixtrans-67.7-35.5179-158.777.8000111.9F392 N393 E395 D401F392-L397 HydrophobicContact CB-CB 4.42Å; F392-L397 HydrophobicContact CB-CD1 3.87Å; F392-L397 HydrophobicContact CD2-CD1 4.17Å; F392-L397 HydrophobicContact CG-CD1 3.95Å; N393-L397 PolarHBondContact O-N 3.06Å; E395-L397 PolarHBondContact O-N 3.22Å; L397-D401 WeakPolarHBondContact O-CB 3.5Å; L397-D401 PolarHBondContact O-N 3.44Å
398L84.3Confident78.7Confident98 Ų98115.6 Ų115.651%0.51358%0.576SS.*Hα-helixtrans-71.2-38.7173.7-74.1166.1000111.7K394 E395 E396 L400 D401 F402K394-L398 WeakPolarHBondContact O-CG 3.38Å; K394-L398 PolarHBondContact O-N 2.87Å; E395-L398 WeakPolarHBondContact O-CB 3.27Å; E395-L398 PolarHBondContact O-N 2.99Å; E396-L398 VanDerWaalsContact C-N 3.34Å; L398-L400 VanDerWaalsContact C-N 3.35Å; L398-D401 PolarHBondContact O-N 2.98Å; L398-F402 WeakPolarHBondContact O-CB 3.48Å; L398-F402 PolarHBondContact O-N 3.39Å
399D83.8Confident77.1Confident112 Ų112114.8 Ų114.860%0.59958%0.58SS**Hα-helixtrans-67.5-35.7175.9-72.3-26.3000111.8E395 E396 K403E395-D399 PolarHBondContact O-N 3.48Å; E396-D399 PolarHBondContact O-N 3.08Å; D399-K403 WeakPolarHBondContact O-CB 3.38Å; D399-K403 PolarHBondContact O-N 3.4Å
400L82.2Confident75.4Confident83 Ų83113.9 Ų113.944%0.43558%0.583SS.*Hα-helixtrans-70.9-42.6174.4-73.4167.3000112.4F392 E396 L398 K403 A404F392-L400 HydrophobicContact CD1-CD1 3.59Å; F392-L400 HydrophobicContact CE1-CD1 3.39Å; F392-L400 HydrophobicContact CZ-CD1 4.36Å; E396-L400 WeakPolarHBondContact O-CB 3.36Å; E396-L400 VanDerWaalsContact O-CG 3.24Å; E396-L400 WeakPolarHBondContact O-CG 3.26Å; E396-L400 PolarHBondContact O-N 3.44Å; L398-L400 VanDerWaalsContact C-N 3.35Å; L400-K403 PolarHBondContact O-N 2.9Å; L400-A404 WeakPolarHBondContact O-CB 3.48Å; L400-A404 PolarHBondContact O-N 3.35Å
401D82.4Confident73.6Confident112 Ų112115.8 Ų115.860%0.59960%0.598SS**Hα-helixtrans-62.2-44.4173.3-172.237.5000110.8L397 L398 K403 A404 Y405L397-D401 WeakPolarHBondContact O-CB 3.5Å; L397-D401 PolarHBondContact O-N 3.44Å; L398-D401 PolarHBondContact O-N 2.98Å; D401-K403 PolarHBondContact O-N 3Å; D401-A404 PolarHBondContact O-N 3.48Å; D401-Y405 WeakPolarHBondContact O-CB 3.48Å; D401-Y405 PolarHBondContact O-N 2.91Å
402F83.4Confident71.7Confident130 Ų130115.5 Ų115.557%0.5760%0.6SS**Hα-helixtrans-63.7-39.8174.4-173.7-111.2000112.5L398 Y405 L406L398-F402 WeakPolarHBondContact O-CB 3.48Å; L398-F402 PolarHBondContact O-N 3.39Å; F402-Y405 PolarHBondContact O-N 2.77Å; F402-L406 HydrophobicContact CD1-CD1 3.85Å; F402-L406 HydrophobicContact CD1-CG 4.46Å; F402-L406 HydrophobicContact CE1-CD1 3.54Å; F402-L406 HydrophobicContact CE1-CG 4.21Å; F402-L406 HydrophobicContact CZ-CD1 4.07Å; F402-L406 HydrophobicContact CZ-CD2 4.49Å; F402-L406 HydrophobicContact CZ-CG 4.31Å; F402-L406 WeakPolarHBondContact O-CB 3.4Å; F402-L406 WeakPolarHBondContact O-CG 3.13Å; F402-L406 PolarHBondContact O-N 3.19Å
403K80.3Confident69.3Low150 Ų150118.9 Ų118.965%0.65262%0.622SS**Hα-helixtrans-67.5-38.6175.4-173.2177.2-179.7-1770112.2D399 L400 D401 L406 A407D399-K403 WeakPolarHBondContact O-CB 3.38Å; D399-K403 PolarHBondContact O-N 3.4Å; L400-K403 PolarHBondContact O-N 2.9Å; D401-K403 PolarHBondContact O-N 3Å; K403-L406 PolarHBondContact O-N 2.88Å; K403-A407 WeakPolarHBondContact O-CB 3.4Å; K403-A407 PolarHBondContact O-N 3.33Å
404A82.2Confident66.7Low60 Ų60122.7 Ų122.750%0.49664%0.637SS.*Hα-helixtrans-65.3-42173.300000111.4L400 D401 L406 A407 S408L400-A404 WeakPolarHBondContact O-CB 3.48Å; L400-A404 PolarHBondContact O-N 3.35Å; D401-A404 PolarHBondContact O-N 3.48Å; A404-L406 PolarHBondContact O-N 2.95Å; A404-A407 PolarHBondContact O-N 3.41Å; A404-S408 WeakPolarHBondContact O-CB 3.16Å; A404-S408 PolarHBondContact O-N 3.22Å
405Y78.4Confident64.4Low182 Ų182121.9 Ų121.971%0.71464%0.641SS**Hα-helixtrans-66.7-34.6176.2-163.9-92.9000112.8D401 F402D401-Y405 WeakPolarHBondContact O-CB 3.48Å; D401-Y405 PolarHBondContact O-N 2.91Å; F402-Y405 PolarHBondContact O-N 2.77Å
406L73.6Confident61.8Low100 Ų100123 Ų12352%0.52465%0.646SS.*Hα-helixtrans-66.5-45.4170.5-78.3172.7000112.1F402 K403 A404 S408 S409F402-L406 HydrophobicContact CD1-CD1 3.85Å; F402-L406 HydrophobicContact CD1-CG 4.46Å; F402-L406 HydrophobicContact CE1-CD1 3.54Å; F402-L406 HydrophobicContact CE1-CG 4.21Å; F402-L406 HydrophobicContact CZ-CD1 4.07Å; F402-L406 HydrophobicContact CZ-CD2 4.49Å; F402-L406 HydrophobicContact CZ-CG 4.31Å; F402-L406 WeakPolarHBondContact O-CB 3.4Å; F402-L406 WeakPolarHBondContact O-CG 3.13Å; F402-L406 PolarHBondContact O-N 3.19Å; K403-L406 PolarHBondContact O-N 2.88Å; A404-L406 PolarHBondContact O-N 2.95Å; L406-S408 VanDerWaalsContact C-N 3.31Å; L406-S408 PolarHBondContact O-N 3.49Å; L406-S409 PolarHBondContact O-N 3.38Å; L406-S409 VanDerWaalsContact O-N 3.08Å
407A58.5Low59.3Low64 Ų64129.6 Ų129.653%0.52968%0.677SS.*Hα-helixtrans-59.8-41.7177.700000111.8K403 A404 S409 S410K403-A407 WeakPolarHBondContact O-CB 3.4Å; K403-A407 PolarHBondContact O-N 3.33Å; A404-A407 PolarHBondContact O-N 3.41Å; A407-S409 PolarHBondContact O-N 3.49Å; A407-S410 PolarHBondContact O-N 3.02Å; A407-S410 VanDerWaalsContact O-N 3.09Å
408S52.2Low56.7Low92 Ų92133.5 Ų133.564%0.64369%0.692SS**THydrogen-bonded Turntrans-63-2.1175.3-175.30000114.7A404 L406A404-S408 WeakPolarHBondContact O-CB 3.16Å; A404-S408 PolarHBondContact O-N 3.22Å; L406-S408 VanDerWaalsContact C-N 3.31Å; L406-S408 PolarHBondContact O-N 3.49Å
409S47.4Very low53.9Low104 Ų104136.9 Ų136.973%0.72771%0.705SS**THydrogen-bonded Turntrans-110.810.7176.6-1700000113.4L406 A407L406-S409 PolarHBondContact O-N 3.38Å; L406-S409 VanDerWaalsContact O-N 3.08Å; A407-S409 PolarHBondContact O-N 3.49Å
410S45.3Very low51.3Low102 Ų102140.9 Ų140.971%0.71372%0.72SS**SBendtrans-131.428.9-177.8-166.10000112.9A407A407-S410 PolarHBondContact O-N 3.02Å; A407-S410 VanDerWaalsContact O-N 3.09Å
411E43.2Very low48.6Very low178 Ų178143.2 Ų143.283%0.83274%0.738SS**  trans-110.837.8-177.6-156.2178.5159.400111.6
412E39.3Very low45.8Very low190 Ų190141.9 Ų141.989%0.88875%0.751SS**SBendtrans-155.462.4170.3-163.4172.9-137.600110.9
413D28.8Very low43Very low162 Ų162139.4 Ų139.487%0.86676%0.762SS**SBendtrans-159.4149.6153.3-104.4-30.4000109.1
414E28.9Very low40.4Very low184 Ų184141.8 Ų141.886%0.8678%0.775SS**  trans-80172.1-151.5-63172.4144.600117.2
415D31.5Very low37.9Very low155 Ų155146.3 Ų146.383%0.82979%0.786SS**  trans-58137.3175.9-45-96.5000113.8
416E28Very low35.7Very low178 Ų178143.1 Ų143.183%0.83279%0.788SS**  trans-130.3100.2155.4-78.8-165.7145.500110.1
417E29.2Very low33.6Very low188 Ų188145.5 Ų145.588%0.87980%0.799SS**  trans-62.9135162.1-63.2174.8134.900109.2
418H27.1Very low32Very low180 Ų180146 Ų14683%0.83381%0.811SS**  trans-120.176.8177.3-122.2-51.7000111.1
419E27.5Very low31Very low169 Ų169151 Ų15179%0.7982%0.824SS**  trans-64.1142.5165-72.3-166.6139.700111.1
420E27.8Very low30.1Very low195 Ų195154.5 Ų154.591%0.91183%0.829SS**  trans-86.5124.6156.9-75.4-164.7121.200110.3
421T24.9Very low29.5Very low133 Ų133157.2 Ų157.282%0.81684%0.835SS**  trans-138.1130.1149.743.70000110.4
422G25.1Very low29Very low84 Ų84158.2 Ų158.287%0.86684%0.839SS**  trans-90.6161.8-176.900000114.1
423G23.7Very low29Very low77 Ų77154.8 Ų154.879%0.79482%0.823SS**  trans-170.180.7-178.600000116.1
424E26.5Very low29.4Very low201 Ų201154.4 Ų154.494%0.93981%0.814SS**  trans54.9131.1155.5-58-168143.400122.3
425E29Very low30.3Very low155 Ų155150.6 Ų150.672%0.72481%0.805SS**  trans-53.2151.5166-93.8-97.1163.800114.2I427E425-I427 WeakPolarHBondContact OE2-CG1 3.33Å; E425-I427 PolarHBondContact OE2-N 3.49Å
426P31.8Very low31Very low115 Ų115149.9 Ų149.975%0.74780%0.797SS**  -148.9127.78436.4-17.3000118.4
427I30.2Very low32.1Very low149 Ų149145.6 Ų145.676%0.76478%0.777SS**  trans49.6103.1133.6-51.2176.9000117.1E425E425-I427 WeakPolarHBondContact OE2-CG1 3.33Å; E425-I427 PolarHBondContact OE2-N 3.49Å
428G25.6Very low33.3Very low76 Ų76143.8 Ų143.878%0.78477%0.766SS**  trans-160.3118.7159.600000111.7
429E30.3Very low34.5Very low195 Ų195142.1 Ų142.191%0.91176%0.759SS**  trans-74.3128.2178-59.7171.311300111.4
430E28.4Very low36.1Very low179 Ų179142.6 Ų142.684%0.83675%0.753SS**  178.4130.2129.6-100.2-176.9163.200113.3
431L31.8Very low37.6Very low158 Ų158137.1 Ų137.183%0.82773%0.726SS**  trans37.9128.4160.7-66.3113.1000122.5
432E33.9Very low39.6Very low199 Ų199139.5 Ų139.593%0.9372%0.72SS**  trans-71.9128.5166.3-57.8-179.9146.800113.1
433E39Very low41.7Very low118 Ų118137.8 Ų137.855%0.55170%0.695SS**  trans-113.1141.7154.7-89.4-165.2171.400109.6K441E433-K441 IonicContact OE1-NZ 2.63Å; E433-K441 PolarHBondContact OE1-NZ 3.36Å; E433-K441 IonicContact OE2-NZ 3.33Å; E433-K441 PolarHBondContact OE2-NZ 3.24Å
434K38.3Very low44.2Very low154 Ų154140.4 Ų140.467%0.6769%0.687SS**  trans-73.8149.3-173-67.8-169.9178-169.40113.3E436 E437K434-E436 VanDerWaalsContact C-N 3.26Å; K434-E436 PolarHBondContact O-N 3.19Å; K434-E437 PolarHBondContact O-N 2.9Å; K434-E437 VanDerWaalsContact O-N 3.09Å
435P46.4Very low46.7Very low104 Ų104136.3 Ų136.368%0.67567%0.668SS**Hα-helixtrans-60.3-29.8-177.522.8-34000114.3E437 K438 Q439P435-E437 PolarHBondContact O-N 3.44Å; P435-K438 PolarHBondContact O-N 2.82Å; P435-Q439 PolarHBondContact O-N 2.99Å
436E46.8Very low49Very low140 Ų140133.7 Ų133.765%0.65466%0.656SS**Hα-helixtrans-59-32.9176.2-61.5-171.7124.900113.2K434 Q439 R440K434-E436 VanDerWaalsContact C-N 3.26Å; K434-E436 PolarHBondContact O-N 3.19Å; E436-Q439 PolarHBondContact O-N 2.98Å; E436-R440 WeakPolarHBondContact O-CG 3.46Å; E436-R440 PolarHBondContact O-N 3.44Å
437E50.1Low51.4Low89 Ų89132 Ų13242%0.41664%0.639SS.*Hα-helixtrans-73.7-31.5178.9-75.6-161.1110.200112.3K434 P435 R440 K441K434-E437 PolarHBondContact O-N 2.9Å; K434-E437 VanDerWaalsContact O-N 3.09Å; P435-E437 PolarHBondContact O-N 3.44Å; E437-R440 PolarHBondContact O-N 3.42Å; E437-K441 HydrophobicContact CB-CD 4.49Å; E437-K441 VanDerWaalsContact O-CB 3.28Å; E437-K441 WeakPolarHBondContact O-CB 3.36Å; E437-K441 WeakPolarHBondContact O-CD 3.41Å; E437-K441 WeakPolarHBondContact O-CG 3.45Å; E437-K441 PolarHBondContact O-N 3.11Å
438K54.1Low54.1Low150 Ų150127.8 Ų127.865%0.65262%0.623SS**Hα-helixtrans-65.5-41172.6-74.3179.1177.3172.30111.5P435 K441 R442P435-K438 PolarHBondContact O-N 2.82Å; K438-K441 PolarHBondContact O-N 3.38Å; K438-R442 WeakPolarHBondContact O-CB 3.44Å; K438-R442 PolarHBondContact O-N 3.43Å
439Q54.1Low57.1Low144 Ų144131 Ų13167%0.67362%0.615SS**Hα-helixtrans-60.4-45173.2-73.3-87.70.700111.8P435 E436 S443P435-Q439 PolarHBondContact O-N 2.99Å; E436-Q439 PolarHBondContact O-N 2.98Å; Q439-S443 PolarHBondContact O-N 3.4Å; Q439-S443 VanDerWaalsContact O-N 3.1Å; Q439-S443 PolarHBondContact O-OG 2.8Å
440R60.2Low59.6Low179 Ų179129.1 Ų129.168%0.67560%0.601SS**Hα-helixtrans-65.8-45.4176.1-75.1179.9169.9-173.5-1112.9E436 E437 R442 S443 E444E436-R440 WeakPolarHBondContact O-CG 3.46Å; E436-R440 PolarHBondContact O-N 3.44Å; E437-R440 PolarHBondContact O-N 3.42Å; R440-R442 PolarHBondContact O-N 3.31Å; R440-S443 WeakPolarHBondContact CA-OG 3.46Å; R440-S443 PolarHBondContact O-N 3.15Å; R440-S443 PolarHBondContact O-OG 2.85Å; R440-S443 VanDerWaalsContact O-OG 3.05Å; R440-E444 PolarHBondContact O-N 2.98Å
441K60.1Low62.4Low80 Ų80128 Ų12835%0.34859%0.589SS.*Hα-helixtrans-60.4-45.9177.7-69.9163-171178.70110.5E433 E437 K438 S443 E444 E445E433-K441 IonicContact OE1-NZ 2.63Å; E433-K441 PolarHBondContact OE1-NZ 3.36Å; E433-K441 IonicContact OE2-NZ 3.33Å; E433-K441 PolarHBondContact OE2-NZ 3.24Å; E437-K441 HydrophobicContact CB-CD 4.49Å; E437-K441 VanDerWaalsContact O-CB 3.28Å; E437-K441 WeakPolarHBondContact O-CB 3.36Å; E437-K441 WeakPolarHBondContact O-CD 3.41Å; E437-K441 WeakPolarHBondContact O-CG 3.45Å; E437-K441 PolarHBondContact O-N 3.11Å; K438-K441 PolarHBondContact O-N 3.38Å; K441-S443 PolarHBondContact O-N 3.3Å; K441-E444 PolarHBondContact O-N 2.93Å; K441-E445 WeakPolarHBondContact O-CG 3.3Å; K441-E445 PolarHBondContact O-N 2.93Å
442R66.1Low65Low183 Ų183127.3 Ų127.369%0.69158%0.582SS**Hα-helixtrans-62.8-37.7176.7-165.4176.5-173.2-177.21.7113.4K438 R440 Q446K438-R442 WeakPolarHBondContact O-CB 3.44Å; K438-R442 PolarHBondContact O-N 3.43Å; R440-R442 PolarHBondContact O-N 3.31Å; R442-Q446 WeakPolarHBondContact O-CG 3.2Å; R442-Q446 PolarHBondContact O-N 3.41Å; R442-Q446 VanDerWaalsContact O-N 3.15Å
443S70.2Confident67.4Low48 Ų48122.4 Ų122.434%0.33656%0.562SS.*Hα-helixtrans-76.5-36.3177.647.10000113.1Q439 R440 K441 E445 Q446 I447Q439-S443 PolarHBondContact O-N 3.4Å; Q439-S443 VanDerWaalsContact O-N 3.1Å; Q439-S443 PolarHBondContact O-OG 2.8Å; R440-S443 WeakPolarHBondContact CA-OG 3.46Å; R440-S443 PolarHBondContact O-N 3.15Å; R440-S443 PolarHBondContact O-OG 2.85Å; R440-S443 VanDerWaalsContact O-OG 3.05Å; K441-S443 PolarHBondContact O-N 3.3Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-E445 PolarHBondContact O-N 3.14Å; S443-Q446 PolarHBondContact O-N 3.32Å; S443-I447 WeakPolarHBondContact O-CB 3.22Å; S443-I447 WeakPolarHBondContact O-CD1 3.45Å; S443-I447 VanDerWaalsContact O-CG1 3.27Å; S443-I447 WeakPolarHBondContact O-CG1 3.43Å; S443-I447 PolarHBondContact O-N 2.85Å
444E75.9Confident69.4Low133 Ų133122 Ų12262%0.62156%0.562SS**Hα-helixtrans-64.7-34.8170.4-81.6-162.912100112.9R440 K441 I447 S448R440-E444 PolarHBondContact O-N 2.98Å; K441-E444 PolarHBondContact O-N 2.93Å; E444-I447 PolarHBondContact O-N 2.87Å; E444-S448 VanDerWaalsContact O-CB 3.29Å; E444-S448 WeakPolarHBondContact O-CB 3.5Å; E444-S448 PolarHBondContact O-N 2.96Å; E444-S448 PolarHBondContact O-OG 3.02Å
445E78.3Confident71.5Confident114 Ų114121.6 Ų121.653%0.53356%0.561SS.*Hα-helixtrans-64.1-43.3171.7-76.5178-164.700112.5K441 S443 S448 K449K441-E445 WeakPolarHBondContact O-CG 3.3Å; K441-E445 PolarHBondContact O-N 2.93Å; S443-E445 VanDerWaalsContact C-N 3.34Å; S443-E445 PolarHBondContact O-N 3.14Å; E445-S448 WeakPolarHBondContact O-CB 3.47Å; E445-S448 PolarHBondContact O-N 3.46Å; E445-K449 WeakPolarHBondContact O-CG 3.37Å; E445-K449 PolarHBondContact O-N 3.32Å
446Q77.8Confident73.1Confident101 Ų101118.3 Ų118.347%0.47254%0.54SS..Hα-helixtrans-61.6-48.7173.8-75.2172.5-35.200111.3R442 S443 S448 K449 Y450R442-Q446 WeakPolarHBondContact O-CG 3.2Å; R442-Q446 PolarHBondContact O-N 3.41Å; R442-Q446 VanDerWaalsContact O-N 3.15Å; S443-Q446 PolarHBondContact O-N 3.32Å; Q446-S448 PolarHBondContact O-N 2.75Å; Q446-K449 PolarHBondContact O-N 3.13Å; Q446-K449 VanDerWaalsContact O-N 3.17Å; Q446-Y450 HydrophobicContact CB-CE2 4.44Å; Q446-Y450 WeakPolarHBondContact O-CD2 3.34Å; Q446-Y450 PolarHBondContact O-N 2.66Å
447I82.9Confident74.7Confident78 Ų78115.4 Ų115.440%0.453%0.528SS..Hα-helixtrans-57.9-36.9175.8-69.3164.1000111S443 E444 R451S443-I447 WeakPolarHBondContact O-CB 3.22Å; S443-I447 WeakPolarHBondContact O-CD1 3.45Å; S443-I447 VanDerWaalsContact O-CG1 3.27Å; S443-I447 WeakPolarHBondContact O-CG1 3.43Å; S443-I447 PolarHBondContact O-N 2.85Å; E444-I447 PolarHBondContact O-N 2.87Å; I447-R451 VanDerWaalsContact CG2-CZ 3.5Å; I447-R451 WeakPolarHBondContact O-CB 3.29Å; I447-R451 VanDerWaalsContact O-CG 3.24Å; I447-R451 WeakPolarHBondContact O-CG 3.46Å; I447-R451 PolarHBondContact O-N 2.86Å
448S86.6Confident75.8Confident62 Ų62117.5 Ų117.543%0.43454%0.538SS..Hα-helixtrans-68.1-44.7176.8-62.30000112.2E444 E445 Q446 Y450 R451 E452E444-S448 VanDerWaalsContact O-CB 3.29Å; E444-S448 WeakPolarHBondContact O-CB 3.5Å; E444-S448 PolarHBondContact O-N 2.96Å; E444-S448 PolarHBondContact O-OG 3.02Å; E445-S448 WeakPolarHBondContact O-CB 3.47Å; E445-S448 PolarHBondContact O-N 3.46Å; Q446-S448 PolarHBondContact O-N 2.75Å; S448-Y450 PolarHBondContact O-N 3.05Å; S448-R451 PolarHBondContact O-N 2.99Å; S448-E452 PolarHBondContact O-N 3.38Å
449K87.1Confident76.6Confident142 Ų142113 Ų11362%0.61753%0.525SS*.Hα-helixtrans-58.8-44.6172.7-73.9171179.2169.10111.9E445 Q446 E452 L453E445-K449 WeakPolarHBondContact O-CG 3.37Å; E445-K449 PolarHBondContact O-N 3.32Å; Q446-K449 PolarHBondContact O-N 3.13Å; Q446-K449 VanDerWaalsContact O-N 3.17Å; K449-E452 PolarHBondContact O-N 2.88Å; K449-L453 WeakPolarHBondContact O-CB 3.43Å; K449-L453 PolarHBondContact O-N 3.32Å
450Y83.8Confident77.3Confident156 Ų156111.8 Ų111.861%0.61252%0.518SS*.Hα-helixtrans-65.3-39.9176.3-72-60.1000112.9Q446 S448 E452 L453 L454Q446-Y450 HydrophobicContact CB-CE2 4.44Å; Q446-Y450 WeakPolarHBondContact O-CD2 3.34Å; Q446-Y450 PolarHBondContact O-N 2.66Å; S448-Y450 PolarHBondContact O-N 3.05Å; Y450-E452 VanDerWaalsContact C-N 3.3Å; Y450-E452 PolarHBondContact O-N 3.35Å; Y450-L453 PolarHBondContact O-N 2.92Å; Y450-L454 WeakPolarHBondContact O-CB 3.37Å; Y450-L454 WeakPolarHBondContact O-CG 3.41Å; Y450-L454 PolarHBondContact O-N 2.98Å
451R87.2Confident77.4Confident157 Ų157107.4 Ų107.459%0.59251%0.508SS*.Hα-helixtrans-62.9-35.2173.2-76.3168.5174.6166.60.5112.6I447 S448 K455I447-R451 VanDerWaalsContact CG2-CZ 3.5Å; I447-R451 WeakPolarHBondContact O-CB 3.29Å; I447-R451 VanDerWaalsContact O-CG 3.24Å; I447-R451 WeakPolarHBondContact O-CG 3.46Å; I447-R451 PolarHBondContact O-N 2.86Å; S448-R451 PolarHBondContact O-N 2.99Å; R451-K455 WeakPolarHBondContact O-CG 3.39Å; R451-K455 PolarHBondContact O-N 3.25Å
452E86.9Confident77.5Confident142 Ų142111 Ų11166%0.66452%0.524SS*.Hα-helixtrans-73.8-40.9175.7-172158.9-12600112.1S448 K449 Y450 L454 K455 S456S448-E452 PolarHBondContact O-N 3.38Å; K449-E452 PolarHBondContact O-N 2.88Å; Y450-E452 VanDerWaalsContact C-N 3.3Å; Y450-E452 PolarHBondContact O-N 3.35Å; E452-L454 PolarHBondContact O-N 2.67Å; E452-K455 WeakPolarHBondContact O-CB 3.41Å; E452-K455 PolarHBondContact O-N 3.38Å; E452-S456 PolarHBondContact O-N 2.89Å
453L83.5Confident77Confident97 Ų97112 Ų11251%0.50853%0.528SS..Hα-helixtrans-59.2-45.4173.4-17267.7000111.5K449 Y450 K455 S456 I457K449-L453 WeakPolarHBondContact O-CB 3.43Å; K449-L453 PolarHBondContact O-N 3.32Å; Y450-L453 PolarHBondContact O-N 2.92Å; L453-K455 PolarHBondContact O-N 3.18Å; L453-S456 CarbonylContact O-C 3.57Å; L453-S456 WeakPolarHBondContact O-CA 3.25Å; L453-S456 VanDerWaalsContact O-CB 3.31Å; L453-S456 WeakPolarHBondContact O-CB 3.46Å; L453-S456 PolarHBondContact O-N 3.1Å; L453-S456 PolarHBondContact O-OG 2.96Å; L453-I457 HydrophobicContact CG-CD1 4.36Å; L453-I457 WeakPolarHBondContact O-CG1 3.42Å; L453-I457 PolarHBondContact O-N 3.27Å
454L82.3Confident76.2Confident108 Ų108115.5 Ų115.557%0.56554%0.539SS*.Hα-helixtrans-62.3-38.8175.5-74.2169.3000112.7Y450 E452 S456 I457 Q458Y450-L454 WeakPolarHBondContact O-CB 3.37Å; Y450-L454 WeakPolarHBondContact O-CG 3.41Å; Y450-L454 PolarHBondContact O-N 2.98Å; E452-L454 PolarHBondContact O-N 2.67Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-I457 PolarHBondContact O-N 3.5Å; L454-Q458 PolarHBondContact O-N 3.18Å
455K82.4Confident75.1Confident146 Ų146117 Ų11764%0.63555%0.545SS*.Hα-helixtrans-64-37.6170.2-74.1169.8-179.7174.20111.7R451 E452 L453 I457 S459R451-K455 WeakPolarHBondContact O-CG 3.39Å; R451-K455 PolarHBondContact O-N 3.25Å; E452-K455 WeakPolarHBondContact O-CB 3.41Å; E452-K455 PolarHBondContact O-N 3.38Å; L453-K455 PolarHBondContact O-N 3.18Å; K455-I457 VanDerWaalsContact C-N 3.3Å; K455-I457 PolarHBondContact O-N 3.3Å; K455-S459 VanDerWaalsContact O-CB 3.28Å; K455-S459 WeakPolarHBondContact O-CB 3.21Å; K455-S459 PolarHBondContact O-N 3.05Å; K455-S459 PolarHBondContact O-OG 2.92Å
456S78.1Confident73.9Confident36 Ų36118.9 Ų118.925%0.25255%0.554SS.*Hα-helixtrans-63.1-36.9174.893.50000111.8E452 L453 L454 S459 K460E452-S456 PolarHBondContact O-N 2.89Å; L453-S456 CarbonylContact O-C 3.57Å; L453-S456 WeakPolarHBondContact O-CA 3.25Å; L453-S456 VanDerWaalsContact O-CB 3.31Å; L453-S456 WeakPolarHBondContact O-CB 3.46Å; L453-S456 PolarHBondContact O-N 3.1Å; L453-S456 PolarHBondContact O-OG 2.96Å; L454-S456 VanDerWaalsContact C-N 3.33Å; S456-S459 WeakPolarHBondContact CA-OG 3.38Å; S456-S459 PolarHBondContact O-OG 2.98Å; S456-S459 VanDerWaalsContact O-OG 3.1Å; S456-K460 WeakPolarHBondContact O-CB 3.46Å; S456-K460 WeakPolarHBondContact O-CD 3.49Å; S456-K460 VanDerWaalsContact O-CG 3.24Å; S456-K460 WeakPolarHBondContact O-CG 3.4Å; S456-K460 PolarHBondContact O-N 3.38Å
457I80.6Confident72.4Confident78 Ų78121.8 Ų121.840%0.457%0.573SS.*Hα-helixtrans-72.1-50.8177-65.5164.8000110.4L453 L454 K455 S459 K460 D461L453-I457 HydrophobicContact CG-CD1 4.36Å; L453-I457 WeakPolarHBondContact O-CG1 3.42Å; L453-I457 PolarHBondContact O-N 3.27Å; L454-I457 PolarHBondContact O-N 3.5Å; K455-I457 VanDerWaalsContact C-N 3.3Å; K455-I457 PolarHBondContact O-N 3.3Å; I457-S459 PolarHBondContact O-N 3.44Å; I457-K460 CarbonylContact O-C 3.53Å; I457-K460 WeakPolarHBondContact O-CA 3.46Å; I457-K460 WeakPolarHBondContact O-CB 3.4Å; I457-K460 PolarHBondContact O-N 2.94Å; I457-D461 PolarHBondContact O-N 3.12Å
458Q74.5Confident70.5Confident134 Ų134124.2 Ų124.263%0.62658%0.584SS**Hα-helixtrans-60-31.3176.4-73.3-173-1400113.4L454 K462L454-Q458 PolarHBondContact O-N 3.18Å; Q458-K462 WeakPolarHBondContact O-CG 3.43Å; Q458-K462 PolarHBondContact O-N 2.96Å; Q458-K462 VanDerWaalsContact O-N 3.13Å
459S70.5Confident68.2Low54 Ų54130.5 Ų130.538%0.37861%0.607SS.*Hα-helixtrans-81-19.8174.266.90000113.7K455 S456 I457 R463K455-S459 VanDerWaalsContact O-CB 3.28Å; K455-S459 WeakPolarHBondContact O-CB 3.21Å; K455-S459 PolarHBondContact O-N 3.05Å; K455-S459 PolarHBondContact O-OG 2.92Å; S456-S459 WeakPolarHBondContact CA-OG 3.38Å; S456-S459 PolarHBondContact O-OG 2.98Å; S456-S459 VanDerWaalsContact O-OG 3.1Å; I457-S459 PolarHBondContact O-N 3.44Å; S459-R463 WeakPolarHBondContact O-CD 3.07Å; S459-R463 WeakPolarHBondContact O-CG 3.4Å; S459-R463 PolarHBondContact O-N 2.89Å
460K67.5Low66.4Low120 Ų120131 Ų13152%0.52261%0.613SS.*Hα-helixtrans-76.1-44.1166.3-77.5166.1177.1172.30111.2S456 I457 K462 R463 Q464S456-K460 WeakPolarHBondContact O-CB 3.46Å; S456-K460 WeakPolarHBondContact O-CD 3.49Å; S456-K460 VanDerWaalsContact O-CG 3.24Å; S456-K460 WeakPolarHBondContact O-CG 3.4Å; S456-K460 PolarHBondContact O-N 3.38Å; I457-K460 CarbonylContact O-C 3.53Å; I457-K460 WeakPolarHBondContact O-CA 3.46Å; I457-K460 WeakPolarHBondContact O-CB 3.4Å; I457-K460 PolarHBondContact O-N 2.94Å; K460-K462 PolarHBondContact O-N 3.01Å; K460-R463 CarbonylContact O-C 3.59Å; K460-R463 WeakPolarHBondContact O-CA 3.46Å; K460-R463 WeakPolarHBondContact O-CB 3.45Å; K460-R463 PolarHBondContact O-N 3.1Å; K460-Q464 WeakPolarHBondContact O-CG 3.2Å; K460-Q464 PolarHBondContact O-N 3.34Å
461D62.9Low64.2Low87 Ų87132.4 Ų132.447%0.46563%0.625SS.*Hα-helixtrans-57.3-47.9173.9-78.6-12.2000111.2I457 R463 Q464 Q465I457-D461 PolarHBondContact O-N 3.12Å; D461-R463 PolarHBondContact O-N 2.76Å; D461-Q464 CarbonylContact O-C 3.6Å; D461-Q464 PolarHBondContact O-N 3.39Å; D461-Q465 PolarHBondContact O-N 3.35Å
462K61.9Low62.4Low156 Ų156130.6 Ų130.668%0.67863%0.626SS**THydrogen-bonded Turntrans-62.7-21.6174.8-76.5-173.8175.2-174.20114.2Q458 K460Q458-K462 WeakPolarHBondContact O-CG 3.43Å; Q458-K462 PolarHBondContact O-N 2.96Å; Q458-K462 VanDerWaalsContact O-N 3.13Å; K460-K462 PolarHBondContact O-N 3.01Å
463R57.2Low60.2Low204 Ų204128.6 Ų128.677%0.7763%0.628SS**THydrogen-bonded Turntrans-91.9-4172.7-73.6174.8-178.9-173.72.4113.7S459 K460 D461S459-R463 WeakPolarHBondContact O-CD 3.07Å; S459-R463 WeakPolarHBondContact O-CG 3.4Å; S459-R463 PolarHBondContact O-N 2.89Å; K460-R463 CarbonylContact O-C 3.59Å; K460-R463 WeakPolarHBondContact O-CA 3.46Å; K460-R463 WeakPolarHBondContact O-CB 3.45Å; K460-R463 PolarHBondContact O-N 3.1Å; D461-R463 PolarHBondContact O-N 2.76Å
464Q52.4Low58.1Low121 Ų121132.4 Ų132.457%0.56564%0.636SS**THydrogen-bonded Turntrans-105.6-14.2171.6-69.9177.933.100112K460 D461 E466K460-Q464 WeakPolarHBondContact O-CG 3.2Å; K460-Q464 PolarHBondContact O-N 3.34Å; D461-Q464 CarbonylContact O-C 3.6Å; D461-Q464 PolarHBondContact O-N 3.39Å; Q464-E466 VanDerWaalsContact C-N 3.35Å
465Q52Low56.7Low164 Ų164132.5 Ų132.577%0.76664%0.64SS**SBendtrans-80.6-10.7171.6-75.2-171.4-27.600114.4D461D461-Q465 PolarHBondContact O-N 3.35Å
466E54Low55.3Low153 Ų153132 Ų13272%0.71565%0.652SS**SBendtrans-116.6130.3170.6-65.4-178.4153.500108.6Q464Q464-E466 VanDerWaalsContact C-N 3.35Å
467D47Very low54.3Low162 Ų162132.2 Ų132.287%0.86666%0.66SS**SBendtrans61.452.9173.8-60.1-6.9000119.1
468M41.2Very low53.2Low130 Ų130134.3 Ų134.364%0.6467%0.671SS**  trans-130.472.4157.2-72.4-159.773.600113.4M470M468-M470 PolarHBondContact O-N 3.15Å
469E39.3Very low52.6Low193 Ų193133.4 Ų133.490%0.90267%0.665SS**  trans-70.991.6167.9-65.7-169.5161.500111E471E469-E471 PolarHBondContact O-N 3.21Å; E469-E471 VanDerWaalsContact O-N 3.16Å
470M50.2Low52.5Low154 Ų154135.9 Ų135.976%0.75967%0.671SS**  trans-7699.3175.1-78.3-166-75.700112M468 I472M468-M470 PolarHBondContact O-N 3.15Å; M470-I472 PolarHBondContact O-N 3.31Å
471E35.7Very low52.5Low185 Ų185133.8 Ų133.886%0.86467%0.668SS**  trans-64.696.1168.8-68.1-165137.100111.5E469 S473E469-E471 PolarHBondContact O-N 3.21Å; E469-E471 VanDerWaalsContact O-N 3.16Å; E471-S473 VanDerWaalsContact C-N 3.34Å; E471-S473 PolarHBondContact O-N 2.64Å
472I50.8Low52.6Low118 Ų118133.3 Ų133.361%0.60567%0.668SS**  trans-73.887.3174.4-56179.3000109.6M470 W474M470-I472 PolarHBondContact O-N 3.31Å; I472-W474 HydrophobicContact CG2-CD2 4.03Å; I472-W474 HydrophobicContact CG2-CE3 4.38Å; I472-W474 HydrophobicContact CG2-CG 4.48Å; I472-W474 HydrophobicContact CG2-CH2 4.39Å; I472-W474 HydrophobicContact CG2-CZ2 4.05Å; I472-W474 PolarHBondContact O-N 2.68Å
473S40.5Very low53.1Low101 Ų101131 Ų13171%0.70666%0.66SS**  trans-69.696.517261.40000110.6E471 V475E471-S473 VanDerWaalsContact C-N 3.34Å; E471-S473 PolarHBondContact O-N 2.64Å; S473-V475 PolarHBondContact O-N 2.61Å
474W39.8Very low53.9Low177 Ų177128.5 Ų128.567%0.6765%0.65SS**  trans-6888.5-179.9-68.2105.6000112.8I472 P476 K479I472-W474 HydrophobicContact CG2-CD2 4.03Å; I472-W474 HydrophobicContact CG2-CE3 4.38Å; I472-W474 HydrophobicContact CG2-CG 4.48Å; I472-W474 HydrophobicContact CG2-CH2 4.39Å; I472-W474 HydrophobicContact CG2-CZ2 4.05Å; I472-W474 PolarHBondContact O-N 2.68Å; W474-P476 VanDerWaalsContact O-CD 3.23Å; W474-P476 WeakPolarHBondContact O-CD 3.43Å; W474-K479 HydrophobicContact CZ3-CD 4.43Å
475V51.4Low54.8Low109 Ų109128.1 Ų128.166%0.66165%0.652SS**  trans-73.2115.4165.2-178.20000109S473 G477S473-V475 PolarHBondContact O-N 2.61Å; V475-G477 PolarHBondContact O-N 3.47Å
476P54.5Low55.9Low137 Ų137124.5 Ų124.589%0.8964%0.641SS**THydrogen-bonded Turntrans-74.387.9-176.5-16.233.1000111.5W474W474-P476 VanDerWaalsContact O-CD 3.23Å; W474-P476 WeakPolarHBondContact O-CD 3.43Å
477G55.7Low56.9Low39 Ų39123.3 Ų123.340%0.40263%0.633SS.*THydrogen-bonded Turntrans174.5-32.8176.400000113.8V475 K479 E480V475-G477 PolarHBondContact O-N 3.47Å; G477-K479 VanDerWaalsContact C-N 3.3Å; G477-K479 PolarHBondContact O-N 3.26Å; G477-E480 PolarHBondContact O-N 2.97Å
478L58.3Low58.3Low122 Ų122122.8 Ų122.864%0.63962%0.623SS**Hα-helixtrans-64.8-33.5-176.4-162.768.3000112.7E480 T481 T482L478-E480 VanDerWaalsContact C-N 3.29Å; L478-E480 PolarHBondContact O-N 3.07Å; L478-T481 PolarHBondContact O-N 3.36Å; L478-T481 VanDerWaalsContact O-N 3.16Å; L478-T481 PolarHBondContact O-OG1 3.46Å; L478-T482 PolarHBondContact O-N 3.14Å; L478-T482 PolarHBondContact O-OG1 3.38Å
479K61.7Low59.8Low115 Ų115124 Ų12450%0.563%0.625SS.*Hα-helixtrans-53.4-44.7174.4-70.5-171.1178-176.40112.5W474 G477 T481 T482 E483W474-K479 HydrophobicContact CZ3-CD 4.43Å; G477-K479 VanDerWaalsContact C-N 3.3Å; G477-K479 PolarHBondContact O-N 3.26Å; K479-T481 VanDerWaalsContact C-N 3.3Å; K479-T481 PolarHBondContact O-N 3.04Å; K479-T482 WeakPolarHBondContact CA-OG1 3.44Å; K479-T482 PolarHBondContact O-N 3.22Å; K479-T482 PolarHBondContact O-OG1 2.76Å; K479-E483 WeakPolarHBondContact O-CB 3.32Å; K479-E483 VanDerWaalsContact O-CG 3.29Å; K479-E483 WeakPolarHBondContact O-CG 3.41Å; K479-E483 PolarHBondContact O-N 3.28Å
480E67.6Low61.1Low107 Ų107119.7 Ų119.750%0.561%0.608SS.*Hα-helixtrans-67.6-34.7-176.9-141-162.6149.900111.4G477 L478 R484G477-E480 PolarHBondContact O-N 2.97Å; L478-E480 VanDerWaalsContact C-N 3.29Å; L478-E480 PolarHBondContact O-N 3.07Å; E480-R484 VanDerWaalsContact CD-NH2 3.32Å; E480-R484 WeakPolarHBondContact O-CB 3.37Å; E480-R484 WeakPolarHBondContact O-CD 3.33Å; E480-R484 WeakPolarHBondContact O-CG 3.41Å; E480-R484 PolarHBondContact O-N 3.23Å; E480-R484 IonicContact OE1-CZ 2.72Å; E480-R484 IonicContact OE1-NE 3.25Å; E480-R484 PolarHBondContact OE1-NE 2.95Å; E480-R484 IonicContact OE1-NH2 2.82Å; E480-R484 PolarHBondContact OE1-NH2 3.44Å; E480-R484 IonicContact OE2-NH2 2.68Å
481T69.3Low61.7Low76 Ų76117.7 Ų117.747%0.46660%0.596SS.*Hα-helixtrans-69.5-39.3173.654.80000112.7L478 K479 L485L478-T481 PolarHBondContact O-N 3.36Å; L478-T481 VanDerWaalsContact O-N 3.16Å; L478-T481 PolarHBondContact O-OG1 3.46Å; K479-T481 VanDerWaalsContact C-N 3.3Å; K479-T481 PolarHBondContact O-N 3.04Å; T481-L485 WeakPolarHBondContact O-CB 3.31Å; T481-L485 PolarHBondContact O-N 3.1Å; T481-L485 VanDerWaalsContact O-N 3.1Å
482T64.1Low63Low77 Ų77112 Ų11247%0.47258%0.581SS.*Hα-helixtrans-70.5-39.4176.251.40000112.1L478 K479 L485 V486L478-T482 PolarHBondContact O-N 3.14Å; L478-T482 PolarHBondContact O-OG1 3.38Å; K479-T482 WeakPolarHBondContact CA-OG1 3.44Å; K479-T482 PolarHBondContact O-N 3.22Å; K479-T482 PolarHBondContact O-OG1 2.76Å; T482-L485 PolarHBondContact O-N 3.42Å; T482-V486 WeakPolarHBondContact O-CG2 3.44Å; T482-V486 PolarHBondContact O-N 3.1Å
483E73.1Confident63.4Low106 Ų106115.1 Ų115.150%0.49559%0.59SS.*Hα-helixtrans-64.7-40.3176.3-75.1170.8-146.200111.8K479 L485 V486 K487K479-E483 WeakPolarHBondContact O-CB 3.32Å; K479-E483 VanDerWaalsContact O-CG 3.29Å; K479-E483 WeakPolarHBondContact O-CG 3.41Å; K479-E483 PolarHBondContact O-N 3.28Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-V486 PolarHBondContact O-N 3.13Å; E483-K487 WeakPolarHBondContact O-CB 3.44Å; E483-K487 WeakPolarHBondContact O-CG 3.35Å; E483-K487 PolarHBondContact O-N 3.48Å
484R73.3Confident64.3Low152 Ų152116.1 Ų116.157%0.57459%0.588SS**Hα-helixtrans-63.7-37.6172.4-71.8168.9-171.5-166.14.9112.2E480 K488E480-R484 VanDerWaalsContact CD-NH2 3.32Å; E480-R484 WeakPolarHBondContact O-CB 3.37Å; E480-R484 WeakPolarHBondContact O-CD 3.33Å; E480-R484 WeakPolarHBondContact O-CG 3.41Å; E480-R484 PolarHBondContact O-N 3.23Å; E480-R484 IonicContact OE1-CZ 2.72Å; E480-R484 IonicContact OE1-NE 3.25Å; E480-R484 PolarHBondContact OE1-NE 2.95Å; E480-R484 IonicContact OE1-NH2 2.82Å; E480-R484 PolarHBondContact OE1-NH2 3.44Å; E480-R484 IonicContact OE2-NH2 2.68Å; R484-K488 WeakPolarHBondContact O-CB 3.32Å; R484-K488 PolarHBondContact O-N 3.24Å
485L70.8Confident65.5Low114 Ų114114.2 Ų114.260%0.59759%0.586SS**Hα-helixtrans-74.2-34.6179.6-153.8152.8000112T481 T482 E483 K489T481-L485 WeakPolarHBondContact O-CB 3.31Å; T481-L485 PolarHBondContact O-N 3.1Å; T481-L485 VanDerWaalsContact O-N 3.1Å; T482-L485 PolarHBondContact O-N 3.42Å; E483-L485 VanDerWaalsContact C-N 3.34Å; L485-K489 PolarHBondContact O-N 3.45Å; L485-K489 VanDerWaalsContact O-N 3.16Å
486V75.1Confident66.4Low88 Ų88111.1 Ų111.153%0.53357%0.568SS.*Hα-helixtrans-67.1-47170.1170.30000111.1T482 E483 K488 K489 L490T482-V486 WeakPolarHBondContact O-CG2 3.44Å; T482-V486 PolarHBondContact O-N 3.1Å; E483-V486 PolarHBondContact O-N 3.13Å; V486-K488 PolarHBondContact O-N 3.04Å; V486-K489 CarbonylContact O-C 3.41Å; V486-K489 WeakPolarHBondContact O-CA 3.43Å; V486-K489 PolarHBondContact O-N 3.42Å; V486-L490 HydrophobicContact CG1-CD1 3.88Å; V486-L490 WeakPolarHBondContact O-CD1 3.36Å; V486-L490 PolarHBondContact O-N 2.85Å
487K76.1Confident67.6Low127 Ų127107.8 Ų107.855%0.55255%0.546SS*.Hα-helixtrans-56.5-48.5174.8-78.7-179.9177.9179.90111.8E483 K489 L490 E491E483-K487 WeakPolarHBondContact O-CB 3.44Å; E483-K487 WeakPolarHBondContact O-CG 3.35Å; E483-K487 PolarHBondContact O-N 3.48Å; K487-K489 PolarHBondContact O-N 3.19Å; K487-K489 VanDerWaalsContact O-N 3.15Å; K487-L490 PolarHBondContact O-N 3.01Å; K487-E491 WeakPolarHBondContact O-CB 3.1Å; K487-E491 VanDerWaalsContact O-CG 3.31Å; K487-E491 WeakPolarHBondContact O-CG 3.41Å; K487-E491 PolarHBondContact O-N 3.02Å
488K76.6Confident68.6Low152 Ų152111 Ų11166%0.66156%0.56SS**Hα-helixtrans-58.6-27.9174.8-172.1172-179.5179.50113.3R484 V486 A492R484-K488 WeakPolarHBondContact O-CB 3.32Å; R484-K488 PolarHBondContact O-N 3.24Å; V486-K488 PolarHBondContact O-N 3.04Å; K488-A492 WeakPolarHBondContact O-CB 3.38Å; K488-A492 PolarHBondContact O-N 3.47Å; K488-A492 VanDerWaalsContact O-N 3.11Å
489K72.4Confident68.8Low155 Ų155113.6 Ų113.667%0.67456%0.561SS**Hα-helixtrans-82.2-22.3173.5-87-161.9171.4-168.20114.6L485 V486 K487L485-K489 PolarHBondContact O-N 3.45Å; L485-K489 VanDerWaalsContact O-N 3.16Å; V486-K489 CarbonylContact O-C 3.41Å; V486-K489 WeakPolarHBondContact O-CA 3.43Å; V486-K489 PolarHBondContact O-N 3.42Å; K487-K489 PolarHBondContact O-N 3.19Å; K487-K489 VanDerWaalsContact O-N 3.15Å
490L65.7Low69.9Low103 Ų103112.5 Ų112.554%0.53956%0.557SS.*Hα-helixtrans-76.3-50.2165.1-85.692.9000110.4V486 K487 A492 K493 D494V486-L490 HydrophobicContact CG1-CD1 3.88Å; V486-L490 WeakPolarHBondContact O-CD1 3.36Å; V486-L490 PolarHBondContact O-N 2.85Å; K487-L490 PolarHBondContact O-N 3.01Å; L490-A492 PolarHBondContact O-N 3.19Å; L490-A492 VanDerWaalsContact O-N 3.08Å; L490-K493 CarbonylContact O-C 3.52Å; L490-K493 WeakPolarHBondContact O-CA 3.34Å; L490-K493 WeakPolarHBondContact O-CB 3.31Å; L490-K493 PolarHBondContact O-N 2.95Å; L490-D494 PolarHBondContact O-N 3Å
491E64Low70.6Confident112 Ų112112.7 Ų112.752%0.52356%0.558SS.*Hα-helixtrans-57.6-26.9178.4-67.3158.5-174.300113K487 Q495K487-E491 WeakPolarHBondContact O-CB 3.1Å; K487-E491 VanDerWaalsContact O-CG 3.31Å; K487-E491 WeakPolarHBondContact O-CG 3.41Å; K487-E491 PolarHBondContact O-N 3.02Å; E491-Q495 PolarHBondContact O-NE2 3Å
492A61.3Low71.3Confident66 Ų66114.1 Ų114.155%0.54556%0.558SS.*THydrogen-bonded Turntrans-82.9-17.4172.600000114.7K488 L490K488-A492 WeakPolarHBondContact O-CB 3.38Å; K488-A492 PolarHBondContact O-N 3.47Å; K488-A492 VanDerWaalsContact O-N 3.11Å; L490-A492 PolarHBondContact O-N 3.19Å; L490-A492 VanDerWaalsContact O-N 3.08Å
493K59.9Low72.2Confident182 Ų182113.6 Ų113.679%0.79155%0.552SS**THydrogen-bonded Turntrans-89-25.7168.6-81.6-165.4168.2-162.10112.6L490 Q495L490-K493 CarbonylContact O-C 3.52Å; L490-K493 WeakPolarHBondContact O-CA 3.34Å; L490-K493 WeakPolarHBondContact O-CB 3.31Å; L490-K493 PolarHBondContact O-N 2.95Å; K493-Q495 PolarHBondContact O-N 2.76Å
494D59.6Low72.6Confident122 Ų122113.5 Ų113.565%0.65255%0.552SS**SBendtrans-84.69.5174.6-59.6-35.2000112.5L490 P496L490-D494 PolarHBondContact O-N 3Å; D494-P496 WeakPolarHBondContact O-CD 3.22Å
495Q65.8Low73.4Confident137 Ų137113.8 Ų113.864%0.6456%0.557SS**SBendtrans-70.7117164.6-62.9-65-77.500108.4E491 K493E491-Q495 PolarHBondContact O-NE2 3Å; K493-Q495 PolarHBondContact O-N 2.76Å
496P70.1Confident74.1Confident44 Ų44114.7 Ų114.729%0.28656%0.557SS.*PPolyproline II helixtrans-64.3150177.727.8-34.8000111D494 E500 E501D494-P496 WeakPolarHBondContact O-CD 3.22Å; P496-E500 HydrophobicContact CB-CB 3.97Å; P496-E501 HydrophobicContact CB-CG 4.15Å; P496-E501 HydrophobicContact CG-CG 3.67Å
497T80.1Confident74.7Confident68 Ų68117.4 Ų117.442%0.41756%0.561SS.*PPolyproline II helixtrans-63.9152.5169.958.30000110.7W499 E500 E501T497-W499 PolarHBondContact O-N 2.87Å; T497-E500 WeakPolarHBondContact CB-OE2 3.44Å; T497-E500 PolarHBondContact N-OE2 3.23Å; T497-E500 CarbonylContact O-C 3.51Å; T497-E500 WeakPolarHBondContact O-CA 3.34Å; T497-E500 WeakPolarHBondContact O-CB 3.25Å; T497-E500 PolarHBondContact O-N 3.46Å; T497-E500 VanDerWaalsContact OG1-CG 3.3Å; T497-E500 WeakPolarHBondContact OG1-CG 3.27Å; T497-E500 PolarHBondContact OG1-N 2.89Å; T497-E500 PolarHBondContact OG1-OE2 2.91Å; T497-E501 PolarHBondContact O-N 3.27Å
498P76.1Confident75Confident107 Ų107117 Ų11770%0.69556%0.561SS**Hα-helixtrans-55.8-26.3176.4-27.835.9000113.8F502P498-F502 WeakPolarHBondContact O-CB 3.22Å; P498-F502 PolarHBondContact O-N 3.11Å
499W62.5Low75.4Confident176 Ų176116.6 Ų116.667%0.66756%0.559SS**Hα-helixtrans-71.5-40.1172.5-177.7-112.8000113.1T497 F502 L503T497-W499 PolarHBondContact O-N 2.87Å; W499-F502 HydrophobicContact CE3-CD1 4.39Å; W499-F502 HydrophobicContact CZ3-CD1 4.26Å; W499-F502 PolarHBondContact O-N 3.28Å; W499-L503 WeakPolarHBondContact O-CB 3.4Å; W499-L503 PolarHBondContact O-N 2.92Å
500E84Confident75.8Confident91 Ų91117 Ų11743%0.42556%0.561SS.*Hα-helixtrans-68.5-38.5171.8-74.4168.9109.400112.1P496 T497 F502 L503 Q504P496-E500 HydrophobicContact CB-CB 3.97Å; T497-E500 WeakPolarHBondContact CB-OE2 3.44Å; T497-E500 PolarHBondContact N-OE2 3.23Å; T497-E500 CarbonylContact O-C 3.51Å; T497-E500 WeakPolarHBondContact O-CA 3.34Å; T497-E500 WeakPolarHBondContact O-CB 3.25Å; T497-E500 PolarHBondContact O-N 3.46Å; T497-E500 VanDerWaalsContact OG1-CG 3.3Å; T497-E500 WeakPolarHBondContact OG1-CG 3.27Å; T497-E500 PolarHBondContact OG1-N 2.89Å; T497-E500 PolarHBondContact OG1-OE2 2.91Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 3.4Å; E500-L503 CarbonylContact O-C 3.58Å; E500-L503 PolarHBondContact O-N 3.14Å; E500-Q504 WeakPolarHBondContact O-CB 3.42Å; E500-Q504 VanDerWaalsContact O-CG 3.29Å; E500-Q504 WeakPolarHBondContact O-CG 3.35Å; E500-Q504 PolarHBondContact O-N 3.26Å
501E83.1Confident76.6Confident111 Ų111118.7 Ų118.752%0.51956%0.564SS.*Hα-helixtrans-58.1-45.6170.8-67.1-165.4138.700111P496 T497 L503 Q504 K505P496-E501 HydrophobicContact CB-CG 4.15Å; P496-E501 HydrophobicContact CG-CG 3.67Å; T497-E501 PolarHBondContact O-N 3.27Å; E501-L503 PolarHBondContact O-N 3.34Å; E501-Q504 PolarHBondContact O-N 3.31Å; E501-K505 WeakPolarHBondContact O-CB 3.38Å; E501-K505 PolarHBondContact O-N 3.5Å
502F84.5Confident77.3Confident106 Ų106118.4 Ų118.447%0.46556%0.563SS.*Hα-helixtrans-60.8-42.9174.7-178.7-104.9000112.3P498 W499 E500 K506P498-F502 WeakPolarHBondContact O-CB 3.22Å; P498-F502 PolarHBondContact O-N 3.11Å; W499-F502 HydrophobicContact CE3-CD1 4.39Å; W499-F502 HydrophobicContact CZ3-CD1 4.26Å; W499-F502 PolarHBondContact O-N 3.28Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 3.4Å; F502-K506 HydrophobicContact CE1-CD 4.29Å; F502-K506 WeakPolarHBondContact O-CB 3.26Å; F502-K506 PolarHBondContact O-N 3.09Å
503L81.8Confident78.1Confident66 Ų66123 Ų12335%0.34657%0.566SS.*Hα-helixtrans-65.3-38.1175.1-84.6163.9000113W499 E500 E501 K507W499-L503 WeakPolarHBondContact O-CB 3.4Å; W499-L503 PolarHBondContact O-N 2.92Å; E500-L503 CarbonylContact O-C 3.58Å; E500-L503 PolarHBondContact O-N 3.14Å; E501-L503 PolarHBondContact O-N 3.34Å; L503-K507 WeakPolarHBondContact O-CB 3.31Å; L503-K507 VanDerWaalsContact O-CG 3.25Å; L503-K507 WeakPolarHBondContact O-CG 3.4Å; L503-K507 PolarHBondContact O-N 2.84Å
504Q83Confident79Confident104 Ų104121 Ų12149%0.48656%0.557SS.*Hα-helixtrans-66.9-51.8174.3-72.3-177.350.200110.2E500 E501 K506 K507 E508E500-Q504 WeakPolarHBondContact O-CB 3.42Å; E500-Q504 VanDerWaalsContact O-CG 3.29Å; E500-Q504 WeakPolarHBondContact O-CG 3.35Å; E500-Q504 PolarHBondContact O-N 3.26Å; E501-Q504 PolarHBondContact O-N 3.31Å; Q504-K506 VanDerWaalsContact C-N 3.26Å; Q504-K506 PolarHBondContact O-N 3.2Å; Q504-K507 CarbonylContact O-C 3.58Å; Q504-K507 WeakPolarHBondContact O-CA 3.21Å; Q504-K507 WeakPolarHBondContact O-CB 3.36Å; Q504-K507 PolarHBondContact O-N 2.86Å; Q504-E508 WeakPolarHBondContact O-CG 3.25Å; Q504-E508 PolarHBondContact O-N 3.19Å
505K88.4Confident79.6Confident158 Ų158119.1 Ų119.169%0.68755%0.547SS*.Hα-helixtrans-55.1-38.1175.2-166.6172.1-173.8174.60112.4E501 K509E501-K505 WeakPolarHBondContact O-CB 3.38Å; E501-K505 PolarHBondContact O-N 3.5Å; K505-K509 WeakPolarHBondContact O-CB 3.47Å; K505-K509 PolarHBondContact O-N 3.16Å
506K86.2Confident79.9Confident134 Ų134117.7 Ų117.758%0.58354%0.54SS*.Hα-helixtrans-70.9-37.2174.6-166.6170.6-173.8173.10112.7F502 Q504 K510F502-K506 HydrophobicContact CE1-CD 4.29Å; F502-K506 WeakPolarHBondContact O-CB 3.26Å; F502-K506 PolarHBondContact O-N 3.09Å; Q504-K506 VanDerWaalsContact C-N 3.26Å; Q504-K506 PolarHBondContact O-N 3.2Å; K506-K510 WeakPolarHBondContact O-CB 3.39Å; K506-K510 PolarHBondContact O-N 3.19Å
507K87.6Confident79.7Confident144 Ų144125.7 Ų125.763%0.62657%0.565SS**Hα-helixtrans-67.6-41171.6-74.8166.8-177.8172.60111.6L503 Q504 K510 K511L503-K507 WeakPolarHBondContact O-CB 3.31Å; L503-K507 VanDerWaalsContact O-CG 3.25Å; L503-K507 WeakPolarHBondContact O-CG 3.4Å; L503-K507 PolarHBondContact O-N 2.84Å; Q504-K507 CarbonylContact O-C 3.58Å; Q504-K507 WeakPolarHBondContact O-CA 3.21Å; Q504-K507 WeakPolarHBondContact O-CB 3.36Å; Q504-K507 PolarHBondContact O-N 2.86Å; K507-K510 PolarHBondContact O-N 3.03Å; K507-K511 WeakPolarHBondContact O-CB 3.49Å; K507-K511 PolarHBondContact O-N 2.7Å
508E82.1Confident79Confident119 Ų119130 Ų13056%0.55658%0.578SS**Hα-helixtrans-67.8-47.3177.8-69.8-160.1132.500112Q504 K510 K511 Q512Q504-E508 WeakPolarHBondContact O-CG 3.25Å; Q504-E508 PolarHBondContact O-N 3.19Å; E508-K510 PolarHBondContact O-N 2.88Å; E508-K511 CarbonylContact O-C 3.57Å; E508-K511 WeakPolarHBondContact O-CA 3.41Å; E508-K511 WeakPolarHBondContact O-CB 3.49Å; E508-K511 PolarHBondContact O-N 3.19Å; E508-Q512 WeakPolarHBondContact O-CB 3.45Å; E508-Q512 WeakPolarHBondContact O-CG 3.34Å; E508-Q512 PolarHBondContact O-N 3.36Å
509K85.5Confident78.1Confident143 Ų143132.3 Ų132.362%0.62258%0.579SS**Hα-helixtrans-59-31173.6-165.8167.9-174.6173.90112.2K505 R513K505-K509 WeakPolarHBondContact O-CB 3.47Å; K505-K509 PolarHBondContact O-N 3.16Å; K509-R513 WeakPolarHBondContact O-CB 3.23Å; K509-R513 VanDerWaalsContact O-CG 3.31Å; K509-R513 WeakPolarHBondContact O-CG 3.41Å; K509-R513 PolarHBondContact O-N 2.99Å; K509-R513 VanDerWaalsContact O-N 3.15Å
510K81.4Confident77.5Confident165 Ų165127.2 Ų127.272%0.71758%0.582SS**Hα-helixtrans-74.9-28.2172-170171.4-177.1175.60113.4K506 K507 E508 K514K506-K510 WeakPolarHBondContact O-CB 3.39Å; K506-K510 PolarHBondContact O-N 3.19Å; K507-K510 PolarHBondContact O-N 3.03Å; E508-K510 PolarHBondContact O-N 2.88Å; K510-K514 WeakPolarHBondContact O-CB 3.49Å; K510-K514 PolarHBondContact O-N 2.95Å
511K82.1Confident75.6Confident138 Ų138126.6 Ų126.660%0.659%0.592SS**Hα-helixtrans-78.9-41.6175.5-171.1-175.7177.8-171.10111.6K507 E508 K514 N515K507-K511 WeakPolarHBondContact O-CB 3.49Å; K507-K511 PolarHBondContact O-N 2.7Å; E508-K511 CarbonylContact O-C 3.57Å; E508-K511 WeakPolarHBondContact O-CA 3.41Å; E508-K511 WeakPolarHBondContact O-CB 3.49Å; E508-K511 PolarHBondContact O-N 3.19Å; K511-K514 CarbonylContact O-C 3.59Å; K511-K514 PolarHBondContact O-N 2.97Å; K511-K514 VanDerWaalsContact O-N 3.14Å; K511-N515 PolarHBondContact O-N 3.24Å
512Q78.9Confident73.7Confident105 Ų105130 Ų13049%0.49161%0.608SS.*Hα-helixtrans-55.6-57.5170.7-76.3169.2-2600110.2E508 K514 N515 E516E508-Q512 WeakPolarHBondContact O-CB 3.45Å; E508-Q512 WeakPolarHBondContact O-CG 3.34Å; E508-Q512 PolarHBondContact O-N 3.36Å; Q512-K514 PolarHBondContact O-N 3.09Å; Q512-N515 CarbonylContact O-C 3.47Å; Q512-N515 WeakPolarHBondContact O-CA 3.28Å; Q512-N515 PolarHBondContact O-N 3.11Å; Q512-E516 VanDerWaalsContact C-CD 3.44Å; Q512-E516 WeakPolarHBondContact CB-OE1 3.42Å; Q512-E516 WeakPolarHBondContact O-CG 3.33Å; Q512-E516 PolarHBondContact O-N 2.89Å
513R78.7Confident71.3Confident162 Ų162134.2 Ų134.261%0.61163%0.629SS**Hα-helixtrans-56.8-21173.6-69.7-178.974.7-165.96.4115.6K509 E516 R517K509-R513 WeakPolarHBondContact O-CB 3.23Å; K509-R513 VanDerWaalsContact O-CG 3.31Å; K509-R513 WeakPolarHBondContact O-CG 3.41Å; K509-R513 PolarHBondContact O-N 2.99Å; K509-R513 VanDerWaalsContact O-N 3.15Å; R513-E516 WeakPolarHBondContact CA-OE2 3.24Å; R513-E516 PolarHBondContact N-OE2 3.21Å; R513-R517 VanDerWaalsContact O-CB 3.31Å; R513-R517 WeakPolarHBondContact O-CB 3.4Å; R513-R517 WeakPolarHBondContact O-CG 3.47Å; R513-R517 PolarHBondContact O-N 3.45Å
514K77.1Confident69.1Low141 Ų141140.2 Ų140.261%0.61366%0.656SS**Hα-helixtrans-89.3-23.6174.3-171.4172.6-178.7177.40113.1K510 K511 Q512 K518K510-K514 WeakPolarHBondContact O-CB 3.49Å; K510-K514 PolarHBondContact O-N 2.95Å; K511-K514 CarbonylContact O-C 3.59Å; K511-K514 PolarHBondContact O-N 2.97Å; K511-K514 VanDerWaalsContact O-N 3.14Å; Q512-K514 PolarHBondContact O-N 3.09Å; K514-K518 WeakPolarHBondContact O-CG 3.42Å
515N73.6Confident67Low83 Ų83144 Ų14444%0.44468%0.678SS.*Hα-helixtrans-83.5-41.8171.4-80.610.7000111.2K511 Q512 K518 Q519K511-N515 PolarHBondContact O-N 3.24Å; Q512-N515 CarbonylContact O-C 3.47Å; Q512-N515 WeakPolarHBondContact O-CA 3.28Å; Q512-N515 PolarHBondContact O-N 3.11Å; N515-K518 CarbonylContact O-C 3.39Å; N515-K518 WeakPolarHBondContact O-CA 3.38Å; N515-K518 WeakPolarHBondContact O-CB 3.43Å; N515-K518 PolarHBondContact O-N 2.7Å; N515-Q519 WeakPolarHBondContact O-CG 3.46Å; N515-Q519 PolarHBondContact O-N 3.13Å
516E71.3Confident64.2Low106 Ų106142.3 Ų142.350%0.49569%0.686SS.*Hα-helixtrans-54.9-52.6171.2-70.9148-15700110.2Q512 R513 K518 Q519 G520Q512-E516 VanDerWaalsContact C-CD 3.44Å; Q512-E516 WeakPolarHBondContact CB-OE1 3.42Å; Q512-E516 WeakPolarHBondContact O-CG 3.33Å; Q512-E516 PolarHBondContact O-N 2.89Å; R513-E516 WeakPolarHBondContact CA-OE2 3.24Å; R513-E516 PolarHBondContact N-OE2 3.21Å; E516-K518 PolarHBondContact O-N 2.76Å; E516-Q519 PolarHBondContact O-N 3.35Å; E516-G520 PolarHBondContact O-N 3.27Å
517R65.3Low62Low212 Ų212143.1 Ų143.180%0.870%0.697SS**Hα-helixtrans-63.4-2.2171-79.3-177.1153.7-155.1-8115.7R513R513-R517 VanDerWaalsContact O-CB 3.31Å; R513-R517 WeakPolarHBondContact O-CB 3.4Å; R513-R517 WeakPolarHBondContact O-CG 3.47Å; R513-R517 PolarHBondContact O-N 3.45Å
518K66.3Low60.2Low159 Ų159143.4 Ų143.469%0.69171%0.706SS**Hα-helixtrans-110.9-11.3172.3-88.4-171.6163.5-147.50113.4K514 N515 E516K514-K518 WeakPolarHBondContact O-CG 3.42Å; N515-K518 CarbonylContact O-C 3.39Å; N515-K518 WeakPolarHBondContact O-CA 3.38Å; N515-K518 WeakPolarHBondContact O-CB 3.43Å; N515-K518 PolarHBondContact O-N 2.7Å; E516-K518 PolarHBondContact O-N 2.76Å
519Q57.4Low58.6Low155 Ų155147 Ų14772%0.72472%0.722SS**Hα-helixtrans-106-40.9179.8-71.8176.3-54.600110.3N515 E516 A521N515-Q519 WeakPolarHBondContact O-CG 3.46Å; N515-Q519 PolarHBondContact O-N 3.13Å; E516-Q519 PolarHBondContact O-N 3.35Å; Q519-A521 PolarHBondContact O-N 3.22Å
520G48.3Very low57.4Low69 Ų69145.7 Ų145.771%0.71172%0.722SS**THydrogen-bonded Turntrans-74.847167.400000113.4E516E516-G520 PolarHBondContact O-N 3.27Å
521A44.3Very low56.6Low79 Ų79141.8 Ų141.865%0.65371%0.713SS**THydrogen-bonded Turntrans-111.3-7.1171.800000112.4Q519Q519-A521 PolarHBondContact O-N 3.22Å
522E44.2Very low55.5Low183 Ų183141.9 Ų141.986%0.85573%0.728SS**SBendtrans-139.458.7178-67.4-172.1138.400111.1
523E34.8Very low54.5Low193 Ų193144.6 Ų144.690%0.90275%0.746SS**SBendtrans-160159.6152.7-115.1161.2-155.900110.3
524E33.5Very low53.7Low193 Ų193140.1 Ų140.190%0.90274%0.736SS**  trans-85.9165.8-157.8-65.8-168128.100116S526E524-S526 PolarHBondContact O-N 3.15Å
525L40.9Very low53.2Low183 Ų183138.1 Ų138.196%0.95873%0.732SS**  trans-57.9125.2174.1-69145.7000111.7
526S28.9Very low52.7Low123 Ų123139 Ų13986%0.8674%0.736SS**  trans-130.9152.6162.7-174.40000109.4E524E524-S526 PolarHBondContact O-N 3.15Å
527D39.1Very low52.3Low150 Ų150138.4 Ų138.480%0.80274%0.744SS**  trans-89.7159.5-164.6-146.9-2.5000113.9
528D50.2Low52.9Low151 Ų151131.7 Ų131.781%0.80772%0.724SS**  trans36.9106.8172.5-104.3-19.4000119.2
529E49.8Very low53.2Low193 Ų193128.8 Ų128.890%0.90272%0.721SS**  trans-125.7120.7162.2-168.4173-135.300110.1
530L59.3Low53.7Low117 Ų117129.1 Ų129.161%0.61372%0.72SS**  trans-68152.2-175.2-74.2168.6000112.6L536L530-L536 HydrophobicContact CD1-CD1 4.25Å
531P63.6Low54.4Low82 Ų82129.6 Ų129.653%0.53270%0.703SS.*  trans-61137.1176.725.6-34000111.2D533 V534P531-D533 PolarHBondContact O-N 3.09Å; P531-V534 HydrophobicContact CG-CG2 4.18Å; P531-V534 PolarHBondContact O-N 2.85Å
532P60.1Low55.5Low141 Ų141128.8 Ų128.892%0.91669%0.692SS**THydrogen-bonded Turntrans-78.533.6-17035-39.9000114
533D58.2Low56.3Low162 Ų162126.7 Ų126.787%0.86669%0.687SS**THydrogen-bonded Turntrans-129.410-177.1-140.326.5000110.9P531P531-D533 PolarHBondContact O-N 3.09Å
534V61.4Low57.6Low68 Ų68125.4 Ų125.441%0.41268%0.681SS.*  trans-115.2102.3177.4179.90000108.9P531 L536P531-V534 HydrophobicContact CG-CG2 4.18Å; P531-V534 PolarHBondContact O-N 2.85Å; V534-L536 HydrophobicContact CG1-CD2 3.88Å; V534-L536 HydrophobicContact CG1-CG 4.34Å; V534-L536 PolarHBondContact O-N 3.23Å
535D67.3Low58.9Low98 Ų98121.6 Ų121.652%0.52467%0.666SS.*  trans-85.3102.3172.2-168.3-18.8000110S537 D538D535-S537 PolarHBondContact O-N 3.11Å; D535-S537 WeakPolarHBondContact OD1-CA 3.28Å; D535-S537 WeakPolarHBondContact OD1-CB 3.26Å; D535-S537 PolarHBondContact OD1-N 3.12Å; D535-S537 PolarHBondContact OD1-OG 3.03Å; D535-D538 WeakPolarHBondContact O-CB 3.37Å; D535-D538 PolarHBondContact O-N 2.86Å; D535-D538 VanDerWaalsContact O-N 3.1Å
536L61.8Low59.5Low101 Ų101115.8 Ų115.853%0.52965%0.651SS.*THydrogen-bonded Turntrans-69.43.9176.5-62.6175000113.6L530 V534 L545L530-L536 HydrophobicContact CD1-CD1 4.25Å; V534-L536 HydrophobicContact CG1-CD2 3.88Å; V534-L536 HydrophobicContact CG1-CG 4.34Å; V534-L536 PolarHBondContact O-N 3.23Å; L536-L545 HydrophobicContact CD2-CD1 4.42Å
537S63.1Low60.7Low94 Ų94114 Ų11466%0.65764%0.644SS**THydrogen-bonded Turntrans-108.12.6170.872.70000114.3D535D535-S537 PolarHBondContact O-N 3.11Å; D535-S537 WeakPolarHBondContact OD1-CA 3.28Å; D535-S537 WeakPolarHBondContact OD1-CB 3.26Å; D535-S537 PolarHBondContact OD1-N 3.12Å; D535-S537 PolarHBondContact OD1-OG 3.03Å
538D78.3Confident61.2Low72 Ų72112.1 Ų112.139%0.38564%0.642SS.*SBendtrans-62.9128.9167.1-176.4-23.6000110.1D535 F540 F541 S542D535-D538 WeakPolarHBondContact O-CB 3.37Å; D535-D538 PolarHBondContact O-N 2.86Å; D535-D538 VanDerWaalsContact O-N 3.1Å; D538-F540 PolarHBondContact O-N 2.64Å; D538-F540 WeakPolarHBondContact OD1-CB 3.24Å; D538-F540 PolarHBondContact OD1-N 3.32Å; D538-F541 HydrophobicContact CB-CD2 4.1Å; D538-F541 PolarHBondContact O-N 3.32Å; D538-S542 PolarHBondContact O-N 3.41Å
539P72.5Confident61.3Low97 Ų97108.1 Ų108.163%0.6364%0.637SS**Hα-helixtrans-48.8-25.4173.3-30.136.5000115.6F541 S542P539-F541 VanDerWaalsContact C-N 3.31Å; P539-F541 PolarHBondContact O-N 3Å; P539-S542 WeakPolarHBondContact CA-OG 3.38Å; P539-S542 PolarHBondContact O-OG 3.34Å; P539-S542 VanDerWaalsContact O-OG 3.08Å
540F67.4Low60.8Low162 Ų162106 Ų10671%0.71163%0.632SS**Hα-helixtrans-63.1-33.2175.9-171.5-99.9000113.2D538D538-F540 PolarHBondContact O-N 2.64Å; D538-F540 WeakPolarHBondContact OD1-CB 3.24Å; D538-F540 PolarHBondContact OD1-N 3.32Å
541F63.9Low59.8Low80 Ų80107.2 Ų107.235%0.35164%0.643SS.*Hα-helixtrans-96.3-17.2-179.5-63.1-69000113.8D538 P539 D543 L545D538-F541 HydrophobicContact CB-CD2 4.1Å; D538-F541 PolarHBondContact O-N 3.32Å; P539-F541 VanDerWaalsContact C-N 3.31Å; P539-F541 PolarHBondContact O-N 3Å; F541-D543 PolarHBondContact O-N 2.64Å; F541-L545 PolarHBondContact O-N 3.47Å
542S67.3Low59.4Low61 Ų61108.7 Ų108.743%0.42765%0.653SS.*Hα-helixtrans-68.4-34.1-176.758.70000113.9D538 P539 G546D538-S542 PolarHBondContact O-N 3.41Å; P539-S542 WeakPolarHBondContact CA-OG 3.38Å; P539-S542 PolarHBondContact O-OG 3.34Å; P539-S542 VanDerWaalsContact O-OG 3.08Å; S542-G546 PolarHBondContact O-N 2.74Å
543D60.9Low58.6Low139 Ų139110.4 Ų110.474%0.74368%0.679SS**Hα-helixtrans-71-33.1-177.5-82.57.3000112.5F541F541-D543 PolarHBondContact O-N 2.64Å
544E63.1Low58.6Low166 Ų166107.9 Ų107.978%0.77667%0.67SS**Hα-helixtrans-83.4-39.2179.1-171.2147.7-147.600112.3G546 A547E544-G546 VanDerWaalsContact C-N 3.35Å; E544-G546 PolarHBondContact O-N 3.43Å; E544-A547 PolarHBondContact O-N 3.46Å
545L59Low58.4Low113 Ų113109.9 Ų109.959%0.59268%0.684SS**Hα-helixtrans-70.5-29175.5-68.5174.1000112.9L536 F541 A547L536-L545 HydrophobicContact CD2-CD1 4.42Å; F541-L545 PolarHBondContact O-N 3.47Å; L545-A547 VanDerWaalsContact C-N 3.29Å; L545-A547 PolarHBondContact O-N 3.34Å
546G54.4Low57.9Low62 Ų62110.6 Ų110.664%0.63969%0.693SS**G310 helixtrans-70.9-16.317800000115.3S542 E544 S548S542-G546 PolarHBondContact O-N 2.74Å; E544-G546 VanDerWaalsContact C-N 3.35Å; E544-G546 PolarHBondContact O-N 3.43Å; G546-S548 PolarHBondContact O-N 3.23Å
547A54Low57.7Low86 Ų86111.2 Ų111.271%0.71170%0.702SS**G310 helixtrans-84.9-6.5-167.100000115.9E544 L545E544-A547 PolarHBondContact O-N 3.46Å; L545-A547 VanDerWaalsContact C-N 3.29Å; L545-A547 PolarHBondContact O-N 3.34Å
548S50Low57.4Low110 Ų110112.3 Ų112.377%0.76971%0.705SS**G310 helixtrans-109.722.2-167.758.20000115.1G546G546-S548 PolarHBondContact O-N 3.23Å
549G51.4Low56Low67 Ų67114.9 Ų114.969%0.69173%0.726SS**  trans-118.612.5-157.900000119.9
550D38.8Very low54.8Low148 Ų148116.2 Ų116.279%0.79173%0.733SS**  trans-149.6108.1177.2-141.6-21.8000114.9
551V39.4Very low53.8Low142 Ų142112.7 Ų112.786%0.86174%0.735SS**  trans-139.9104.4164.5-179.40000108.1
552P54.4Low53Low113 Ų113115.4 Ų115.473%0.73477%0.767SS**  trans-73.1153.717729.1-34.3000112.4
553A43.1Very low51.7Low178 Ų178120.4 Ų120.4100%1.47180%0.798SS**  trans-860-174.800000114.9

Retrieved 553 of 553 residues in 1214 ms (Link to these results)

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