A0A087XA51_POEFO Loading...

Heterogeneous nuclear ribonucleoprotein D

AlphaFold DB , UniProt , Accession A0A087XA51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 317 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
1M44.3Very low46.4Very low249 Ų249167 Ų167100%1.22784%0.837SS**  0930-83.4168.8158.900105.5
2S44.7Very low45.5Very low98 Ų98162.1 Ų162.169%0.68583%0.83SS**  trans-91.7154175.4-44.20000108
3E51Low44.9Very low190 Ų190161.8 Ų161.889%0.88883%0.826SS**  trans174.987158.4-97.8157.3-161.800104.2
4D44.1Very low44.8Very low144 Ų144161.9 Ų161.977%0.7783%0.825SS**  57.3108.674.6-58-35.2000112.6
5Y46.1Very low44.7Very low242 Ų242164.9 Ų164.995%0.94982%0.822SS**  trans-122.289.1172.7-137.2-90.3000107.9
6E48.3Very low44.7Very low188 Ų188165.1 Ų165.188%0.87982%0.823SS**  trans-107.6134.4164.3-87.5-173.2146.800108.9
7F42.2Very low44.7Very low196 Ų196164.1 Ų164.186%0.8682%0.815SS**  trans-170.388.7147.1-151.3-102.7000107.9
8S42.2Very low44.7Very low83 Ų83164.6 Ų164.658%0.5881%0.814SS**  68.9117.990.772.10000115.6
9E45.1Very low44.5Very low189 Ų189164.1 Ų164.188%0.88382%0.815SS**  trans-62149.3161.1-59.3167.3125.700111.1
10D50.1Low44.1Very low162 Ų162159.9 Ų159.987%0.86682%0.815SS**  -167.4157123.7-130.916.3000112.7
11P52.3Low44Very low96 Ų96162 Ų16262%0.62382%0.822SS**  trans-104.8177-164.243.7-37.5000112.9
12S35.8Very low43.7Very low108 Ų108154 Ų15476%0.75580%0.803SS**  trans149.7126.2137.256.30000111.5
13M37.4Very low43.5Very low158 Ų158157 Ų15778%0.77881%0.812SS**  179.5121.6115.3-94.7-162.1-167.800112
14M43.5Very low43Very low164 Ų164153.7 Ų153.781%0.80881%0.808SS**  trans58.9109.8142.2-61.7177.4-179.400117.7
15R43.3Very low42.6Very low207 Ų207153.9 Ų153.978%0.78181%0.809SS**  cis5711446.3-155.5-179.4-176.6174.11.7115.6E17R15-E17 IonicContact NH2-OE1 3.32Å
16M45.6Very low42.5Very low168 Ų168149.5 Ų149.583%0.82880%0.802SS**  trans150.5107142.5-83.1171.9-178.100108.3
17E43.4Very low42.6Very low148 Ų148146.7 Ų146.769%0.69280%0.8SS**  73.6117.881.4-76.8179.5-162.100114.6R15R15-E17 IonicContact NH2-OE1 3.32Å
18E44.9Very low42.5Very low172 Ų172145.9 Ų145.980%0.80480%0.801SS**  147.5103.8130-93.4-173.1150.800114.6
19D42Very low42.3Very low156 Ų156147.5 Ų147.583%0.83481%0.812SS**  37.9134.3117.1-35.3-9.6000121
20G35.7Very low42Very low79 Ų79142.7 Ų142.781%0.81481%0.805SS**  trans179.487.4164.400000114.3
21E43Very low41.7Very low204 Ų204141.1 Ų141.195%0.95381%0.807SS**  trans-73.3146.5165.5-58.6-179.2167.800111
22G36.6Very low40.9Very low81 Ų81140.2 Ų140.284%0.83582%0.815SS**  trans-165.191.2174.700000112.4
23N40.2Very low41Very low163 Ų163142.8 Ų142.887%0.87282%0.82SS**  trans-86.1137.5169.9-145.616.9000108.6
24C41Very low40.9Very low119 Ų119140.6 Ų140.680%0.80482%0.819SS**  trans-149.8136.5158.261.90000112.6
25D36.8Very low40.9Very low149 Ų149136.2 Ų136.280%0.79782%0.816SS**  trans-65.6165.1-165.7-56.6-90.6000118.3
26D42.5Very low40.7Very low149 Ų149134.4 Ų134.480%0.79782%0.821SS**  trans-48.8166.7169.3-71.4-75.9000115.9
27P50Low40.4Very low129 Ų129135.6 Ų135.684%0.83883%0.827SS**  -141.4147.195.733.7-17000116.4
28M40.5Very low40Very low180 Ų180132.2 Ų132.289%0.88783%0.831SS**  trans-45.9145164.9-69.6171.3152.600114.9
29S38.9Very low39.6Very low116 Ų116127.3 Ų127.381%0.81183%0.827SS**  169.8129.499.270.70000115
30A39Very low39.5Very low89 Ų89128.7 Ų128.774%0.73683%0.829SS**  trans77.5116.6131.500000123.5
31S44Very low40Very low129 Ų129129 Ų12990%0.90282%0.824SS**  trans92.7114.213373.30000119.4
32G34.9Very low40.2Very low76 Ų76122.3 Ų122.378%0.78479%0.794SS**  trans169.563.8174.100000111.6C34G32-C34 PolarHBondContact O-N 3.41Å
33D37.6Very low40.9Very low162 Ų162120 Ų12087%0.86677%0.771SS**  trans-54121.8169-177.3114.6000111.1
34C34.4Very low41.4Very low112 Ų112116.7 Ų116.776%0.75776%0.76SS**  trans-152.7105.7139.159.70000109.5G32 L36G32-C34 PolarHBondContact O-N 3.41Å; C34-L36 PolarHBondContact O-N 3.42Å
35G43.9Very low42Very low73 Ų73118.6 Ų118.675%0.75376%0.755SS**  trans-61.4127.4178.200000112.8
36L39.2Very low42.9Very low169 Ų169112 Ų11289%0.88572%0.72SS**  trans-117.3107.4157.1-85.2163.7000107.4C34 G38C34-L36 PolarHBondContact O-N 3.42Å; L36-G38 PolarHBondContact O-N 2.83Å; L36-G38 VanDerWaalsContact O-N 3.15Å
37M38.8Very low43.5Very low193 Ų193107.8 Ų107.895%0.95170%0.697SS**  trans-49.7116.3176.4-76.2-166152.400110.9G39M37-G39 VanDerWaalsContact C-N 3.33Å; M37-G39 PolarHBondContact O-N 3.15Å
38G35.3Very low43.6Very low76 Ų76103.8 Ų103.878%0.78468%0.675SS**  trans-6495.2162.600000108.8L36 E40L36-G38 PolarHBondContact O-N 2.83Å; L36-G38 VanDerWaalsContact O-N 3.15Å; G38-E40 PolarHBondContact O-N 2.83Å; G38-E40 VanDerWaalsContact O-N 3.13Å
39G36.5Very low43.9Very low69 Ų6999.3 Ų99.371%0.71166%0.662SS**  trans-62.3110.6166.600000108.4M37 A41M37-G39 VanDerWaalsContact C-N 3.33Å; M37-G39 PolarHBondContact O-N 3.15Å; G39-A41 PolarHBondContact O-N 3.08Å; G39-A41 VanDerWaalsContact O-N 3.08Å
40E40.1Very low44.3Very low185 Ų18599.6 Ų99.686%0.86465%0.648SS**  trans-50.2116.1167.3-63.4174.4137.100108.2G38 D42G38-E40 PolarHBondContact O-N 2.83Å; G38-E40 VanDerWaalsContact O-N 3.13Å; E40-D42 PolarHBondContact O-N 3.13Å
41A46.3Very low44.9Very low87 Ų8799.6 Ų99.672%0.71964%0.636SS**  trans-70.969.6170.700000109G39 G43G39-A41 PolarHBondContact O-N 3.08Å; G39-A41 VanDerWaalsContact O-N 3.08Å; A41-G43 PolarHBondContact O-N 2.95Å
42D48.2Very low45.4Very low62 Ų6299.3 Ų99.333%0.33262%0.62SS.*THydrogen-bonded Turntrans-71.6102.3168.1-178.3-7.3000106.8E40 K69 K73E40-D42 PolarHBondContact O-N 3.13Å; D42-K69 WeakPolarHBondContact O-CE 3.14Å; D42-K69 PolarHBondContact O-NZ 3.19Å; D42-K69 WeakPolarHBondContact OD1-CE 3.36Å; D42-K69 IonicContact OD1-NZ 2.74Å; D42-K69 PolarHBondContact OD1-NZ 2.78Å; D42-K73 IonicContact OD2-NZ 2.63Å; D42-K73 PolarHBondContact OD2-NZ 2.86Å
43G50.3Low46.3Very low33 Ų33103.4 Ų103.434%0.3462%0.619SS.*THydrogen-bonded Turntrans158.5-3.3178.600000117.6A41 D84A41-G43 PolarHBondContact O-N 2.95Å; G43-D84 VanDerWaalsContact C-OD2 3.3Å; G43-D84 WeakPolarHBondContact CA-OD1 3.37Å
44S50.4Low47.5Very low93 Ų9398.6 Ų98.665%0.6559%0.593SS**SBendtrans-94.40.4-169.3-46.90000115.5
45K54.9Low49.2Very low159 Ų159100.8 Ų100.869%0.69159%0.592SS**SBendtrans-101.4-23.3-172.5-68.1-172179.9-179.10114.2D47 V83 D84K45-D47 PolarHBondContact O-N 2.68Å; K45-V83 HydrophobicContact CD-CG1 4.4Å; K45-D84 WeakPolarHBondContact CA-OD2 3.48Å; K45-D84 HydrophobicContact CB-CB 4.43Å; K45-D84 PolarHBondContact N-OD2 2.68Å
46I55.5Low50.7Low11 Ų1197.7 Ų97.76%0.05656%0.561CS.*  trans-93.683.4174.225.7179.9000110.9A48 D84 T86 L103I46-A48 PolarHBondContact O-N 2.81Å; I46-A48 VanDerWaalsContact O-N 3.1Å; I46-D84 HydrophobicContact CD1-CB 3.74Å; I46-D84 HydrophobicContact CG1-CB 3.64Å; I46-D84 WeakPolarHBondContact CG1-OD2 3.3Å; I46-D84 PolarHBondContact N-OD2 2.85Å; I46-D84 VanDerWaalsContact N-OD2 3.14Å; I46-T86 WeakPolarHBondContact CD1-OG1 3.45Å; I46-T86 VanDerWaalsContact CG1-OG1 3.26Å; I46-T86 WeakPolarHBondContact CG1-OG1 3.13Å; I46-L103 HydrophobicContact CG2-CB 3.68Å; I46-L103 HydrophobicContact CG2-CD2 4.05Å; I46-L103 HydrophobicContact CG2-CG 4.35Å
47D54.8Low52.8Low60 Ų6090.7 Ų90.732%0.32152%0.523SS..  trans-65.1109.4158.2-78.6-49.8000108.3K45 S49 K50 K57K45-D47 PolarHBondContact O-N 2.68Å; D47-S49 PolarHBondContact O-N 3.27Å; D47-S49 VanDerWaalsContact O-N 3.15Å; D47-K50 HydrophobicContact CB-CB 3.73Å; D47-K50 HydrophobicContact CB-CD 3.94Å; D47-K50 HydrophobicContact CB-CG 3.67Å; D47-K50 PolarHBondContact O-N 2.83Å; D47-K50 WeakPolarHBondContact OD2-CD 3.47Å; D47-K50 VanDerWaalsContact OD2-CE 3.27Å; D47-K50 WeakPolarHBondContact OD2-CE 3.14Å; D47-K50 IonicContact OD2-NZ 2.83Å; D47-K50 PolarHBondContact OD2-NZ 2.94Å; D47-K57 PolarHBondContact O-NZ 3.14Å
48A51.3Low55.1Low46 Ų4681.5 Ų81.538%0.3848%0.478SS..THydrogen-bonded Turntrans-64.6-9.4167.400000112.3I46 K88I46-A48 PolarHBondContact O-N 2.81Å; I46-A48 VanDerWaalsContact O-N 3.1Å; A48-K88 VanDerWaalsContact CB-NZ 3.31Å
49S47.8Very low57.6Low86 Ų8680.9 Ų80.960%0.60145%0.454SS*.THydrogen-bonded Turntrans-97.4-18.3177.735.60000113.9D47D47-S49 PolarHBondContact O-N 3.27Å; D47-S49 VanDerWaalsContact O-N 3.15Å
50K47.7Very low60.1Low121 Ų12177.6 Ų77.653%0.52642%0.42SS..SBendtrans-84.3123.9174.6-77.9-178.8-179.5141.10109.6D47 E52D47-K50 HydrophobicContact CB-CB 3.73Å; D47-K50 HydrophobicContact CB-CD 3.94Å; D47-K50 HydrophobicContact CB-CG 3.67Å; D47-K50 PolarHBondContact O-N 2.83Å; D47-K50 WeakPolarHBondContact OD2-CD 3.47Å; D47-K50 VanDerWaalsContact OD2-CE 3.27Å; D47-K50 WeakPolarHBondContact OD2-CE 3.14Å; D47-K50 IonicContact OD2-NZ 2.83Å; D47-K50 PolarHBondContact OD2-NZ 2.94Å; K50-E52 PolarHBondContact O-N 3.18Å
51N51.6Low62.4Low90 Ų9069.1 Ų69.148%0.48138%0.383SS..  trans-76.432.8-178.1-74.1-21.6000112.7E53 S136N51-E53 PolarHBondContact O-N 2.8Å; N51-S136 WeakPolarHBondContact OD1-CB 3.45Å; N51-S136 PolarHBondContact OD1-OG 2.77Å
52E54.1Low64.3Low122 Ų12266.4 Ų66.457%0.5736%0.363SS*.  trans-82.5115.3172.9-74.8170.6179.700106.9K50 D54K50-E52 PolarHBondContact O-N 3.18Å; E52-D54 PolarHBondContact O-N 2.64Å
53E54.4Low66.1Low162 Ų16263.4 Ų63.476%0.75735%0.347SS*.  trans-65.671.7162.7-69.7-174.6168.300107.4N51 E55 A133N51-E53 PolarHBondContact O-N 2.8Å; E53-E55 PolarHBondContact O-N 3.31Å; E53-A133 HydrophobicContact CG-CB 4.22Å
54D62.7Low67.9Low61 Ų6162.9 Ų62.933%0.32634%0.338SS..  trans-67.6107.6168.9-72.9-40.8000105.9E52 G56 K57 L103E52-D54 PolarHBondContact O-N 2.64Å; D54-G56 PolarHBondContact O-N 3.5Å; D54-K57 HydrophobicContact CB-CB 3.9Å; D54-K57 VanDerWaalsContact O-CB 3.3Å; D54-K57 WeakPolarHBondContact O-CB 3.49Å; D54-K57 PolarHBondContact O-N 2.85Å; D54-L103 HydrophobicContact CB-CD1 3.68Å
55E68.4Low69.5Low158 Ų15865.1 Ų65.174%0.73833%0.332SS*.THydrogen-bonded Turntrans-55.5-19.3172-66.3179.3171.300111.7E53 P107E53-E55 PolarHBondContact O-N 3.31Å; E55-P107 HydrophobicContact CB-CB 3.89Å
56G75.6Confident70.9Confident9 Ų963.9 Ų63.99%0.09333%0.333CS..THydrogen-bonded Turntrans-79.2-8.1170.400000115.6D54 F104D54-G56 PolarHBondContact O-N 3.5Å; G56-F104 PolarHBondContact O-N 3.15Å
57K84.9Confident72.3Confident21 Ų2163.6 Ų63.69%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-88.3132.2-176.5-165.2176.6-169.8165.70112D47 D54 V102 L103 A131D47-K57 PolarHBondContact O-NZ 3.14Å; D54-K57 HydrophobicContact CB-CB 3.9Å; D54-K57 VanDerWaalsContact O-CB 3.3Å; D54-K57 WeakPolarHBondContact O-CB 3.49Å; D54-K57 PolarHBondContact O-N 2.85Å; K57-V102 CarbonylContact C-O 3.52Å; K57-V102 WeakPolarHBondContact CA-O 3.35Å; K57-L103 HydrophobicContact CB-CD1 4.09Å; K57-A131 HydrophobicContact CB-CB 4.03Å; K57-A131 HydrophobicContact CD-CB 4.3Å; K57-A131 HydrophobicContact CG-CB 3.75Å; K57-A131 WeakPolarHBondContact O-CB 3.48Å; K57-A131 PolarHBondContact O-N 3.26Å
58M86.3Confident73.8Confident0 Ų063.9 Ų63.90%034%0.336CS..EExtended strand (participates in β ladder)trans-125.6134.1-176.8-92.1-89.6-10600110.5F101 V102 F104 V110 V113 P128M58-F101 CarbonylContact O-C 3.46Å; M58-F101 VanDerWaalsContact O-CA 3.25Å; M58-F101 WeakPolarHBondContact O-CA 3.17Å; M58-V102 HydrophobicContact CB-CB 4.33Å; M58-V102 PolarHBondContact N-O 2.66Å; M58-V102 PolarHBondContact O-N 3.4Å; M58-F104 HydrophobicContact CB-CE2 4.29Å; M58-F104 HydrophobicContact CG-CD2 4.34Å; M58-F104 HydrophobicContact CG-CE2 4.16Å; M58-V110 HydrophobicContact CE-CG1 4.1Å; M58-V110 HydrophobicContact CG-CB 4.01Å; M58-V110 HydrophobicContact CG-CG1 3.5Å; M58-V110 HydrophobicContact CG-CG2 3.65Å; M58-V110 HydrophobicContact SD-CG1 3.67Å; M58-V113 HydrophobicContact CE-CB 3.39Å; M58-V113 HydrophobicContact CE-CG1 3.22Å; M58-V113 HydrophobicContact CE-CG2 4.25Å; M58-P128 HydrophobicContact CE-CB 3.83Å; M58-P128 HydrophobicContact SD-CB 4.42Å
59F88.2Confident75.5Confident63 Ų6364.1 Ų64.128%0.27633%0.328SS..EExtended strand (participates in β ladder)trans-88.6132.2168.1170-93.7000108.3F99 F101 P128 K129 A131F59-F99 HydrophobicContact CE2-CB 3.88Å; F59-F99 AromaticContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CG 4.08Å; F59-F99 HydrophobicContact CZ-CB 3.87Å; F59-F99 HydrophobicContact CZ-CD2 4.47Å; F59-F99 HydrophobicContact CZ-CG 4.38Å; F59-F101 HydrophobicContact CB-CD1 4.42Å; F59-F101 HydrophobicContact CB-CE1 4.28Å; F59-F101 HydrophobicContact CD2-CD1 4.41Å; F59-F101 AromaticContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CZ 4.05Å; F59-P128 CarbonylContact O-C 3.59Å; F59-P128 VanDerWaalsContact O-CA 3.3Å; F59-P128 WeakPolarHBondContact O-CA 3.09Å; F59-K129 HydrophobicContact CD1-CB 4.42Å; F59-K129 PolarHBondContact N-O 3.06Å; F59-K129 PolarHBondContact O-N 2.94Å; F59-K129 VanDerWaalsContact O-O 3.11Å; F59-A131 HydrophobicContact CB-CB 4.37Å
60V88.1Confident77.4Confident0 Ų067.6 Ų67.60%033%0.333CS..EExtended strand (participates in β ladder)trans-120.2106.9177.9-170.80000108.6L63 F76 F99 G100 V102 I126 P128V60-L63 HydrophobicContact CG1-CD1 4.5Å; V60-L63 HydrophobicContact CG1-CD2 3.6Å; V60-L63 HydrophobicContact CG1-CG 4.15Å; V60-F76 HydrophobicContact CB-CE2 4.35Å; V60-F76 HydrophobicContact CB-CZ 4.28Å; V60-F76 HydrophobicContact CG1-CE2 3.94Å; V60-F76 HydrophobicContact CG1-CZ 3.74Å; V60-F76 HydrophobicContact CG2-CE1 4.44Å; V60-F76 HydrophobicContact CG2-CE2 3.62Å; V60-F76 HydrophobicContact CG2-CZ 3.5Å; V60-F76 VanDerWaalsContact CG2-CZ 3.5Å; V60-F99 CarbonylContact O-C 3.56Å; V60-F99 VanDerWaalsContact O-CA 3.23Å; V60-F99 WeakPolarHBondContact O-CA 3.29Å; V60-G100 PolarHBondContact N-O 3.25Å; V60-G100 PolarHBondContact O-N 3.43Å; V60-V102 HydrophobicContact CG2-CG2 3.72Å; V60-I126 HydrophobicContact CG1-CB 4.27Å; V60-I126 HydrophobicContact CG1-CD1 4.04Å; V60-I126 HydrophobicContact CG1-CG1 4.48Å; V60-P128 HydrophobicContact CG2-CB 4.44Å
61G88.5Confident79.4Confident8 Ų864.3 Ų64.38%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-94166175.900000112.6L63 I126 D127G61-L63 VanDerWaalsContact C-N 3.3Å; G61-L63 PolarHBondContact O-N 3.3Å; G61-I126 CarbonylContact O-C 3.52Å; G61-I126 WeakPolarHBondContact O-CA 3.48Å; G61-D127 PolarHBondContact N-O 2.98Å; G61-D127 PolarHBondContact O-N 3.12Å
62G86Confident81Confident29 Ų2960.1 Ų60.130%0.29930%0.298SS..SBendtrans76.713.1171.600000114.9G98 K124G62-G98 PolarHBondContact N-O 2.7Å; G62-G98 VanDerWaalsContact N-O 3.12Å; G62-K124 WeakPolarHBondContact O-CD 3.31Å; G62-K124 WeakPolarHBondContact O-CE 3.47Å; G62-K124 WeakPolarHBondContact O-CG 3.25Å
63L87.7Confident82.7Confident0 Ų057.4 Ų57.40%029%0.285CS..  trans-61150.8178-58.5173.9000111.3V60 G61 T67 L72 L87 G98 K124 I126V60-L63 HydrophobicContact CG1-CD1 4.5Å; V60-L63 HydrophobicContact CG1-CD2 3.6Å; V60-L63 HydrophobicContact CG1-CG 4.15Å; G61-L63 VanDerWaalsContact C-N 3.3Å; G61-L63 PolarHBondContact O-N 3.3Å; L63-T67 HydrophobicContact CD2-CG2 4.32Å; L63-L72 HydrophobicContact CD1-CD1 3.32Å; L63-L72 HydrophobicContact CD2-CD1 3.62Å; L63-L72 HydrophobicContact CG-CD1 4.12Å; L63-L87 HydrophobicContact CD1-CD2 3.4Å; L63-L87 VanDerWaalsContact CD1-CD2 3.4Å; L63-G98 PolarHBondContact N-O 2.83Å; L63-K124 PolarHBondContact O-NZ 3.39Å; L63-I126 HydrophobicContact CD2-CB 4.34Å; L63-I126 HydrophobicContact CD2-CG2 3.78Å
64S86.6Confident84.3Confident22 Ų2254.7 Ų54.715%0.15428%0.275CS..  trans-70.8153171-170.50000110D66 T67S64-D66 PolarHBondContact O-N 3.32Å; S64-T67 WeakPolarHBondContact CA-OG1 3.15Å; S64-T67 WeakPolarHBondContact CB-OG1 3.47Å; S64-T67 PolarHBondContact N-OG1 3Å; S64-T67 VanDerWaalsContact N-OG1 3.08Å; S64-T67 VanDerWaalsContact O-CB 3.26Å; S64-T67 WeakPolarHBondContact O-CB 3.5Å; S64-T67 PolarHBondContact O-N 3.25Å; S64-T67 PolarHBondContact O-OG1 3.4Å; S64-T67 VanDerWaalsContact O-OG1 3.06Å
65W85Confident85.5Confident140 Ų14053.5 Ų53.553%0.5327%0.266SS..THydrogen-bonded Turntrans-62.8-28.1177.5-62.7-42.1000112.5T67 R95 S96W65-T67 VanDerWaalsContact C-N 3.31Å; W65-R95 VanDerWaalsContact CD2-NH2 3.34Å; W65-S96 VanDerWaalsContact CD1-O 3.31Å; W65-S96 WeakPolarHBondContact O-CB 3.4Å
66D84.3Confident86.4Confident132 Ų13246 Ų4671%0.70623%0.231SC*.THydrogen-bonded Turntrans-90.85.1179-48.1-49.7000112.4S64 T68S64-D66 PolarHBondContact O-N 3.32Å; D66-T68 PolarHBondContact O-N 3.15Å
67T84.6Confident86.9Confident5 Ų549 Ų493%0.03125%0.248CC..  trans-72.1124.8177.3-57.50000110.2L63 S64 W65 D71 L72 L87 L121L63-T67 HydrophobicContact CD2-CG2 4.32Å; S64-T67 WeakPolarHBondContact CA-OG1 3.15Å; S64-T67 WeakPolarHBondContact CB-OG1 3.47Å; S64-T67 PolarHBondContact N-OG1 3Å; S64-T67 VanDerWaalsContact N-OG1 3.08Å; S64-T67 VanDerWaalsContact O-CB 3.26Å; S64-T67 WeakPolarHBondContact O-CB 3.5Å; S64-T67 PolarHBondContact O-N 3.25Å; S64-T67 PolarHBondContact O-OG1 3.4Å; S64-T67 VanDerWaalsContact O-OG1 3.06Å; W65-T67 VanDerWaalsContact C-N 3.31Å; T67-D71 HydrophobicContact CG2-CB 4.4Å; T67-L72 HydrophobicContact CG2-CD1 4.37Å; T67-L87 VanDerWaalsContact O-CD1 3.29Å; T67-L87 WeakPolarHBondContact O-CD1 3.45Å; T67-L121 HydrophobicContact CG2-CD2 3.46Å; T67-L121 VanDerWaalsContact CG2-CD2 3.46Å
68T87Confident87.1Confident67 Ų6755.8 Ų55.841%0.41128%0.278SS..  trans-96.7165.4177700000112.1D66 K70 D71 L72D66-T68 PolarHBondContact O-N 3.15Å; T68-K70 PolarHBondContact O-N 3.12Å; T68-D71 PolarHBondContact N-OD2 3.33Å; T68-D71 PolarHBondContact O-N 3.03Å; T68-D71 PolarHBondContact OG1-N 3.45Å; T68-D71 PolarHBondContact OG1-OD1 3.17Å; T68-D71 PolarHBondContact OG1-OD2 3.41Å; T68-L72 PolarHBondContact O-N 3.22Å
69K86.5Confident87Confident50 Ų5057.5 Ų57.522%0.21729%0.285CS..Hα-helixtrans-58.3-37.4176.3-178.7-179.8163.4157.20110.9D42 L72 K73 D84 C85 L87D42-K69 WeakPolarHBondContact O-CE 3.14Å; D42-K69 PolarHBondContact O-NZ 3.19Å; D42-K69 WeakPolarHBondContact OD1-CE 3.36Å; D42-K69 IonicContact OD1-NZ 2.74Å; D42-K69 PolarHBondContact OD1-NZ 2.78Å; K69-L72 PolarHBondContact O-N 2.79Å; K69-K73 WeakPolarHBondContact O-CB 3.35Å; K69-K73 PolarHBondContact O-N 3.33Å; K69-D84 IonicContact NZ-OD1 2.68Å; K69-D84 PolarHBondContact NZ-OD1 3.47Å; K69-C85 WeakPolarHBondContact CD-O 3.35Å; K69-C85 WeakPolarHBondContact CE-O 3.3Å; K69-C85 WeakPolarHBondContact CE-SG 3.43Å; K69-C85 HydrophobicContact CG-CB 4.42Å; K69-C85 WeakPolarHBondContact CG-SG 3.24Å; K69-C85 PolarHBondContact NZ-O 3.02Å; K69-L87 HydrophobicContact CB-CD1 4.35Å; K69-L87 VanDerWaalsContact N-CD1 3.29Å
70K88.3Confident86.8Confident160 Ų16055.1 Ų55.170%0.69628%0.278SS*.Hα-helixtrans-63.2-51.9179.2-65.6-175.7178.5-1770111.5T68 L72 K73 D74T68-K70 PolarHBondContact O-N 3.12Å; K70-L72 PolarHBondContact O-N 2.89Å; K70-L72 VanDerWaalsContact O-N 3.15Å; K70-K73 WeakPolarHBondContact O-CB 3.06Å; K70-K73 PolarHBondContact O-N 3.47Å; K70-D74 WeakPolarHBondContact O-CB 3.26Å; K70-D74 VanDerWaalsContact O-CG 3.23Å; K70-D74 PolarHBondContact O-N 3.31Å
71D87.9Confident86.8Confident52 Ų5260.2 Ų60.228%0.27830%0.302SS..Hα-helixtrans-55.8-39.2178.8-51.7-39.3000111.8T67 T68 Y75 L121T67-D71 HydrophobicContact CG2-CB 4.4Å; T68-D71 PolarHBondContact N-OD2 3.33Å; T68-D71 PolarHBondContact O-N 3.03Å; T68-D71 PolarHBondContact OG1-N 3.45Å; T68-D71 PolarHBondContact OG1-OD1 3.17Å; T68-D71 PolarHBondContact OG1-OD2 3.41Å; D71-Y75 VanDerWaalsContact O-CB 3.3Å; D71-Y75 WeakPolarHBondContact O-CB 3.27Å; D71-Y75 PolarHBondContact O-N 3.02Å; D71-L121 HydrophobicContact CB-CD2 4.45Å
72L87Confident86.8Confident1 Ų160.3 Ų60.31%0.00530%0.301CS..Hα-helixtrans-68.9-47.1179.9-155140.9000110.8L63 T67 T68 K69 K70 Y75 F76 C85 L87 V102L63-L72 HydrophobicContact CD1-CD1 3.32Å; L63-L72 HydrophobicContact CD2-CD1 3.62Å; L63-L72 HydrophobicContact CG-CD1 4.12Å; T67-L72 HydrophobicContact CG2-CD1 4.37Å; T68-L72 PolarHBondContact O-N 3.22Å; K69-L72 PolarHBondContact O-N 2.79Å; K70-L72 PolarHBondContact O-N 2.89Å; K70-L72 VanDerWaalsContact O-N 3.15Å; L72-Y75 PolarHBondContact O-N 2.8Å; L72-F76 HydrophobicContact CD2-CD2 3.54Å; L72-F76 HydrophobicContact CD2-CE2 3.64Å; L72-F76 HydrophobicContact CG-CD2 3.89Å; L72-F76 HydrophobicContact CG-CE2 3.76Å; L72-F76 WeakPolarHBondContact O-CD2 3.11Å; L72-F76 PolarHBondContact O-N 3.1Å; L72-C85 HydrophobicContact CD2-CB 3.97Å; L72-L87 HydrophobicContact CD1-CD2 3.69Å; L72-V102 HydrophobicContact CD2-CG2 3.11Å; L72-V102 HydrophobicContact CG-CG2 4.49Å
73K87.9Confident86.8Confident66 Ų6661.5 Ų61.529%0.28730%0.302SS..Hα-helixtrans-57.9-49.3174.1-165.4177.8-178.5178.50111.4D42 K69 K70 Y75 F76 T77 V82D42-K73 IonicContact OD2-NZ 2.63Å; D42-K73 PolarHBondContact OD2-NZ 2.86Å; K69-K73 WeakPolarHBondContact O-CB 3.35Å; K69-K73 PolarHBondContact O-N 3.33Å; K70-K73 WeakPolarHBondContact O-CB 3.06Å; K70-K73 PolarHBondContact O-N 3.47Å; K73-Y75 VanDerWaalsContact C-N 3.31Å; K73-Y75 PolarHBondContact O-N 2.78Å; K73-F76 PolarHBondContact O-N 3.39Å; K73-T77 VanDerWaalsContact O-CB 3.31Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.93Å; K73-T77 PolarHBondContact O-OG1 3.01Å; K73-V82 HydrophobicContact CG-CB 4.28Å; K73-V82 HydrophobicContact CG-CG1 4.26Å
74D88.9Confident86.6Confident104 Ų10461.6 Ų61.656%0.55630%0.303SS*.Hα-helixtrans-63.4-38.2-177.3-66-19.7000111.7K70K70-D74 WeakPolarHBondContact O-CB 3.26Å; K70-D74 VanDerWaalsContact O-CG 3.23Å; K70-D74 PolarHBondContact O-N 3.31Å
75Y87.6Confident86.6Confident37 Ų3760.6 Ų60.615%0.14530%0.296CS..Hα-helixtrans-67.3-48.4175.6-175.9-97.5000112.2D71 L72 K73 T77 K78 F79 H119 K120 L121 I126D71-Y75 VanDerWaalsContact O-CB 3.3Å; D71-Y75 WeakPolarHBondContact O-CB 3.27Å; D71-Y75 PolarHBondContact O-N 3.02Å; L72-Y75 PolarHBondContact O-N 2.8Å; K73-Y75 VanDerWaalsContact C-N 3.31Å; K73-Y75 PolarHBondContact O-N 2.78Å; Y75-T77 VanDerWaalsContact C-N 3.34Å; Y75-T77 PolarHBondContact O-N 3.15Å; Y75-K78 WeakPolarHBondContact O-CB 3.35Å; Y75-K78 PolarHBondContact O-N 2.8Å; Y75-F79 HydrophobicContact CD1-CE2 4.29Å; Y75-F79 AromaticContact CE1-CE2 3.82Å; Y75-F79 HydrophobicContact CE1-CE2 3.82Å; Y75-H119 HydrophobicContact CE1-CB 4.25Å; Y75-H119 AromaticContact CE1-ND1 3.74Å; Y75-H119 AromaticContact CZ-ND1 3.84Å; Y75-H119 WeakPolarHBondContact OH-CB 3.34Å; Y75-H119 PolarHBondContact OH-ND1 3.36Å; Y75-K120 WeakPolarHBondContact CE2-O 2.91Å; Y75-L121 HydrophobicContact CD1-CD1 4.14Å; Y75-L121 HydrophobicContact CD2-CD1 4.27Å; Y75-L121 HydrophobicContact CG-CD1 3.73Å; Y75-I126 HydrophobicContact CD1-CD1 4.13Å; Y75-I126 HydrophobicContact CE1-CD1 3.81Å
76F87Confident86.6Confident0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-75-22.9-176.6-76.1-64000113.5V60 L72 K73 K78 F79 G80 V82 V102 F104 V113 I126 P128V60-F76 HydrophobicContact CB-CE2 4.35Å; V60-F76 HydrophobicContact CB-CZ 4.28Å; V60-F76 HydrophobicContact CG1-CE2 3.94Å; V60-F76 HydrophobicContact CG1-CZ 3.74Å; V60-F76 HydrophobicContact CG2-CE1 4.44Å; V60-F76 HydrophobicContact CG2-CE2 3.62Å; V60-F76 HydrophobicContact CG2-CZ 3.5Å; V60-F76 VanDerWaalsContact CG2-CZ 3.5Å; L72-F76 HydrophobicContact CD2-CD2 3.54Å; L72-F76 HydrophobicContact CD2-CE2 3.64Å; L72-F76 HydrophobicContact CG-CD2 3.89Å; L72-F76 HydrophobicContact CG-CE2 3.76Å; L72-F76 WeakPolarHBondContact O-CD2 3.11Å; L72-F76 PolarHBondContact O-N 3.1Å; K73-F76 PolarHBondContact O-N 3.39Å; F76-K78 PolarHBondContact O-N 2.8Å; F76-K78 VanDerWaalsContact O-N 3.12Å; F76-F79 HydrophobicContact CD1-CD2 4.46Å; F76-F79 PolarHBondContact O-N 2.77Å; F76-G80 PolarHBondContact O-N 3.06Å; F76-V82 HydrophobicContact CB-CG2 3.65Å; F76-V102 HydrophobicContact CB-CG1 4.36Å; F76-V102 HydrophobicContact CD2-CG2 3.75Å; F76-V102 HydrophobicContact CE2-CG2 3.95Å; F76-V102 HydrophobicContact CG-CG1 4.44Å; F76-V102 HydrophobicContact CG-CG2 4.39Å; F76-F104 HydrophobicContact CB-CE1 4.08Å; F76-F104 HydrophobicContact CB-CZ 3.74Å; F76-F104 HydrophobicContact CD1-CE2 4.44Å; F76-F104 AromaticContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CG-CZ 4.02Å; F76-V113 HydrophobicContact CD1-CG1 4.34Å; F76-V113 HydrophobicContact CD1-CG2 4.12Å; F76-V113 HydrophobicContact CE1-CG1 3.79Å; F76-V113 HydrophobicContact CE1-CG2 4.38Å; F76-I126 HydrophobicContact CE2-CD1 4.38Å; F76-I126 HydrophobicContact CZ-CD1 3.87Å; F76-P128 HydrophobicContact CE1-CB 4.3Å; F76-P128 HydrophobicContact CZ-CB 4.33Å
77T87.5Confident86.8Confident73 Ų7350.4 Ų50.445%0.44825%0.252SS..Hα-helixtrans-58.2-25173.5-61.40000112.5K73 Y75 F79 G80K73-T77 VanDerWaalsContact O-CB 3.31Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.93Å; K73-T77 PolarHBondContact O-OG1 3.01Å; Y75-T77 VanDerWaalsContact C-N 3.34Å; Y75-T77 PolarHBondContact O-N 3.15Å; T77-F79 PolarHBondContact O-N 3.4Å; T77-G80 VanDerWaalsContact CA-O 3.25Å; T77-G80 WeakPolarHBondContact CA-O 3.32Å
78K87.3Confident86.8Confident163 Ų16353.3 Ų53.371%0.70927%0.265SS*.THydrogen-bonded Turntrans-66.5-22.7175.6-61179-176.6179.80113.8Y75 F76Y75-K78 WeakPolarHBondContact O-CB 3.35Å; Y75-K78 PolarHBondContact O-N 2.8Å; F76-K78 PolarHBondContact O-N 2.8Å; F76-K78 VanDerWaalsContact O-N 3.12Å
79F84.5Confident86.9Confident36 Ų3654.5 Ų54.516%0.15827%0.268CS..THydrogen-bonded Turntrans-105.6-19.8-176.9-58-78.2000112.6Y75 F76 T77 S109 V113 Q116Y75-F79 HydrophobicContact CD1-CE2 4.29Å; Y75-F79 AromaticContact CE1-CE2 3.82Å; Y75-F79 HydrophobicContact CE1-CE2 3.82Å; F76-F79 HydrophobicContact CD1-CD2 4.46Å; F76-F79 PolarHBondContact O-N 2.77Å; T77-F79 PolarHBondContact O-N 3.4Å; F79-S109 WeakPolarHBondContact O-CB 3.4Å; F79-S109 PolarHBondContact O-OG 3.05Å; F79-V113 HydrophobicContact CB-CG2 3.41Å; F79-V113 VanDerWaalsContact CB-CG2 3.41Å; F79-V113 HydrophobicContact CD1-CG2 4.14Å; F79-V113 HydrophobicContact CD2-CG2 3.9Å; F79-V113 HydrophobicContact CG-CG2 3.54Å; F79-Q116 HydrophobicContact CE1-CG 4.44Å; F79-Q116 VanDerWaalsContact CE1-NE2 3.35Å
80G85.1Confident86.7Confident12 Ų1254.6 Ų54.612%0.12427%0.271CS..SBendtrans176.8164.7-177.500000114F76 T77 V82 S109F76-G80 PolarHBondContact O-N 3.06Å; T77-G80 VanDerWaalsContact CA-O 3.25Å; T77-G80 WeakPolarHBondContact CA-O 3.32Å; G80-V82 PolarHBondContact O-N 3.03Å; G80-S109 WeakPolarHBondContact CA-OG 3.4Å
81E87.3Confident86.3Confident107 Ų10752.9 Ų52.950%0.528%0.276SS..  trans-67.5112.4172.7-166.4-178.8154.500109.8F104 K105E81-F104 WeakPolarHBondContact O-CA 2.92Å; E81-K105 HydrophobicContact CB-CB 4.21Å; E81-K105 HydrophobicContact CB-CD 4.39Å; E81-K105 HydrophobicContact CG-CD 4.2Å; E81-K105 PolarHBondContact O-N 3.28Å; E81-K105 WeakPolarHBondContact OE1-CD 3.16Å; E81-K105 IonicContact OE1-NZ 3.84Å; E81-K105 PolarHBondContact OE1-NZ 2.78Å; E81-K105 WeakPolarHBondContact OE2-CD 3.32Å; E81-K105 IonicContact OE2-NZ 2.83Å; E81-K105 PolarHBondContact OE2-NZ 2.75Å
82V88.4Confident85.8Confident11 Ų1158.8 Ų58.87%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-84.7115.6176.4178.50000108.7K73 F76 G80 D84 C85 V102 L103 F104K73-V82 HydrophobicContact CG-CB 4.28Å; K73-V82 HydrophobicContact CG-CG1 4.26Å; F76-V82 HydrophobicContact CB-CG2 3.65Å; G80-V82 PolarHBondContact O-N 3.03Å; V82-D84 WeakPolarHBondContact CG1-O 3.43Å; V82-C85 HydrophobicContact CG1-CB 4.37Å; V82-V102 HydrophobicContact CB-CG1 4.49Å; V82-V102 HydrophobicContact CG1-CG1 3.69Å; V82-V102 HydrophobicContact CG2-CG1 4.04Å; V82-L103 CarbonylContact C-O 3.58Å; V82-F104 HydrophobicContact CG2-CD1 4.07Å; V82-F104 HydrophobicContact CG2-CE1 3.71Å; V82-F104 HydrophobicContact CG2-CZ 4.37Å
83V86.5Confident85.5Confident53 Ų5363.3 Ų63.332%0.32133%0.332SS..EExtended strand (participates in β ladder)trans-74.6-43.4176.6176.70000110.4K45 L103 K105K45-V83 HydrophobicContact CD-CG1 4.4Å; V83-L103 HydrophobicContact CB-CD2 4.19Å; V83-L103 HydrophobicContact CB-CG 4.22Å; V83-L103 HydrophobicContact CG1-CD2 4.05Å; V83-L103 PolarHBondContact N-O 3.26Å; V83-K105 VanDerWaalsContact CG2-CA 3.49Å; V83-K105 HydrophobicContact CG2-CB 3.59Å; V83-K105 HydrophobicContact CG2-CG 4.21Å
84D83.5Confident85.1Confident2 Ų262.5 Ų62.51%0.01134%0.343CS..EExtended strand (participates in β ladder)trans-157154.7179.8-160.3-11.3000110.6G43 K45 I46 K69 V82 L103G43-D84 VanDerWaalsContact C-OD2 3.3Å; G43-D84 WeakPolarHBondContact CA-OD1 3.37Å; K45-D84 WeakPolarHBondContact CA-OD2 3.48Å; K45-D84 HydrophobicContact CB-CB 4.43Å; K45-D84 PolarHBondContact N-OD2 2.68Å; I46-D84 HydrophobicContact CD1-CB 3.74Å; I46-D84 HydrophobicContact CG1-CB 3.64Å; I46-D84 WeakPolarHBondContact CG1-OD2 3.3Å; I46-D84 PolarHBondContact N-OD2 2.85Å; I46-D84 VanDerWaalsContact N-OD2 3.14Å; K69-D84 IonicContact NZ-OD1 2.68Å; K69-D84 PolarHBondContact NZ-OD1 3.47Å; V82-D84 WeakPolarHBondContact CG1-O 3.43Å; D84-L103 HydrophobicContact CB-CB 4.41Å; D84-L103 PolarHBondContact N-O 3.37Å; D84-L103 PolarHBondContact O-N 2.74Å
85C86.4Confident84.7Confident1 Ų163.7 Ų63.71%0.00734%0.339CS..EExtended strand (participates in β ladder)trans-141.2139.5170.750.20000111.5K69 L72 V82 F101 V102K69-C85 WeakPolarHBondContact CD-O 3.35Å; K69-C85 WeakPolarHBondContact CE-O 3.3Å; K69-C85 WeakPolarHBondContact CE-SG 3.43Å; K69-C85 HydrophobicContact CG-CB 4.42Å; K69-C85 WeakPolarHBondContact CG-SG 3.24Å; K69-C85 PolarHBondContact NZ-O 3.02Å; L72-C85 HydrophobicContact CD2-CB 3.97Å; V82-C85 HydrophobicContact CG1-CB 4.37Å; C85-F101 CarbonylContact C-O 3.52Å; C85-F101 VanDerWaalsContact CA-O 3.32Å; C85-F101 WeakPolarHBondContact CA-O 3.26Å; C85-V102 HydrophobicContact CB-CG2 4.24Å
86T85.8Confident84.6Confident28 Ų2862.2 Ų62.217%0.17234%0.335CS..EExtended strand (participates in β ladder)trans-131.8122.6-175.4-74.90000109I46 K88 G100 F101I46-T86 WeakPolarHBondContact CD1-OG1 3.45Å; I46-T86 VanDerWaalsContact CG1-OG1 3.26Å; I46-T86 WeakPolarHBondContact CG1-OG1 3.13Å; T86-K88 HydrophobicContact CG2-CD 4.37Å; T86-G100 CarbonylContact O-C 3.49Å; T86-G100 WeakPolarHBondContact O-CA 3.43Å; T86-F101 PolarHBondContact N-O 2.92Å; T86-F101 PolarHBondContact O-N 3.39Å
87L88.3Confident84.4Confident30 Ų3069.6 Ų69.616%0.15736%0.362CS..EExtended strand (participates in β ladder)trans-92.3135.9171-71.4173.7000109.9L63 T67 K69 L72 L89L63-L87 HydrophobicContact CD1-CD2 3.4Å; L63-L87 VanDerWaalsContact CD1-CD2 3.4Å; T67-L87 VanDerWaalsContact O-CD1 3.29Å; T67-L87 WeakPolarHBondContact O-CD1 3.45Å; K69-L87 HydrophobicContact CB-CD1 4.35Å; K69-L87 VanDerWaalsContact N-CD1 3.29Å; L72-L87 HydrophobicContact CD1-CD2 3.69Å; L87-L89 HydrophobicContact CB-CD2 4.35Å; L87-L89 PolarHBondContact O-N 3.41Å
88K85.1Confident84.3Confident66 Ų6666.6 Ų66.629%0.28735%0.346SS..EExtended strand (participates in β ladder)trans-88.8107.1171.2-66.3-55-174-173.50108.7A48 T86 R97 F99 F101A48-K88 VanDerWaalsContact CB-NZ 3.31Å; T86-K88 HydrophobicContact CG2-CD 4.37Å; K88-R97 VanDerWaalsContact O-CB 3.24Å; K88-R97 WeakPolarHBondContact O-CB 3.2Å; K88-R97 WeakPolarHBondContact O-CG 3.45Å; K88-R97 PolarHBondContact O-N 2.77Å; K88-F99 HydrophobicContact CB-CD2 4.06Å; K88-F99 HydrophobicContact CB-CE1 4.47Å; K88-F99 HydrophobicContact CB-CE2 3.55Å; K88-F99 HydrophobicContact CB-CZ 3.77Å; K88-F99 HydrophobicContact CG-CD2 4.15Å; K88-F99 HydrophobicContact CG-CE2 3.55Å; K88-F99 HydrophobicContact CG-CZ 4.17Å; K88-F99 PolarHBondContact N-O 3.02Å; K88-F99 VanDerWaalsContact N-O 3.14Å; K88-F101 HydrophobicContact CG-CD2 4.43Å; K88-F101 HydrophobicContact CG-CE2 4.15Å
89L87.3Confident84.3Confident93 Ų9360.9 Ų60.949%0.48732%0.321SS..EExtended strand (participates in β ladder)trans-93.5152.2173-50.8174.6000109.2L87 R95 S96L87-L89 HydrophobicContact CB-CD2 4.35Å; L87-L89 PolarHBondContact O-N 3.41Å; L89-R95 CarbonylContact C-O 3.56Å; L89-R95 WeakPolarHBondContact CA-O 3.32Å; L89-S96 VanDerWaalsContact CD2-CA 3.48Å
90D83.4Confident84.6Confident52 Ų5259.1 Ų59.128%0.27831%0.314SS..  trans-70.4122.4170.8176.41.6000109M92 T93 G94 R95 R97D90-M92 PolarHBondContact O-N 3.06Å; D90-M92 PolarHBondContact OD1-N 3.01Å; D90-T93 WeakPolarHBondContact CB-OG1 3.47Å; D90-T93 VanDerWaalsContact CG-OG1 3.27Å; D90-T93 PolarHBondContact OD2-OG1 2.87Å; D90-G94 VanDerWaalsContact O-CA 3.24Å; D90-G94 WeakPolarHBondContact O-CA 3.47Å; D90-G94 PolarHBondContact O-N 3.35Å; D90-R95 PolarHBondContact N-O 2.9Å; D90-R97 HydrophobicContact CB-CG 4.32Å
91P78.7Confident84.8Confident124 Ų12459.6 Ų59.681%0.80531%0.313SS*.THydrogen-bonded Turntrans-64.5-22.4-178.326.2-35.4000113.8
92M77.5Confident84.9Confident175 Ų17554.5 Ų54.586%0.86229%0.289SS*.THydrogen-bonded Turntrans-88-38.8-178.8-64.4-17172.600112.9D90D90-M92 PolarHBondContact O-N 3.06Å; D90-M92 PolarHBondContact OD1-N 3.01Å
93T82.5Confident84.8Confident96 Ų9655 Ų5559%0.58929%0.291SS*.THydrogen-bonded Turntrans-107.1-9.5-174.2640000113.7D90 R95D90-T93 WeakPolarHBondContact CB-OG1 3.47Å; D90-T93 VanDerWaalsContact CG-OG1 3.27Å; D90-T93 PolarHBondContact OD2-OG1 2.87Å; T93-R95 PolarHBondContact O-N 3.46Å; T93-R95 VanDerWaalsContact O-N 3.07Å; T93-R95 WeakPolarHBondContact OG1-CB 3.3Å; T93-R95 PolarHBondContact OG1-N 2.98Å
94G79.6Confident85Confident50 Ų5052.7 Ų52.752%0.51528%0.276SS..  trans66.9-0.2-172.600000113.9D90D90-G94 VanDerWaalsContact O-CA 3.24Å; D90-G94 WeakPolarHBondContact O-CA 3.47Å; D90-G94 PolarHBondContact O-N 3.35Å
95R80.3Confident85.1Confident128 Ų12858 Ų5848%0.48330%0.3SS..  trans-76.2141.7-174.9-165.3179.7-167.6175.810.1110.8W65 L89 D90 T93 R97W65-R95 VanDerWaalsContact CD2-NH2 3.34Å; L89-R95 CarbonylContact C-O 3.56Å; L89-R95 WeakPolarHBondContact CA-O 3.32Å; D90-R95 PolarHBondContact N-O 2.9Å; T93-R95 PolarHBondContact O-N 3.46Å; T93-R95 VanDerWaalsContact O-N 3.07Å; T93-R95 WeakPolarHBondContact OG1-CB 3.3Å; T93-R95 PolarHBondContact OG1-N 2.98Å; R95-R97 PolarHBondContact O-N 2.99Å
96S84.6Confident85.1Confident7 Ų761.9 Ų61.95%0.04932%0.32CS..EExtended strand (participates in β ladder)trans-60131.3173178.20000111.2W65 L89 G98W65-S96 VanDerWaalsContact CD1-O 3.31Å; W65-S96 WeakPolarHBondContact O-CB 3.4Å; L89-S96 VanDerWaalsContact CD2-CA 3.48Å; S96-G98 PolarHBondContact O-N 3.16Å; S96-G98 PolarHBondContact OG-N 3.49Å
97R83.1Confident85Confident154 Ų15463.3 Ų63.358%0.58133%0.33SS*.EExtended strand (participates in β ladder)trans-74.22174.1-60.1177.864.7-178.3-1.8112.2K88 D90 R95 F99K88-R97 VanDerWaalsContact O-CB 3.24Å; K88-R97 WeakPolarHBondContact O-CB 3.2Å; K88-R97 WeakPolarHBondContact O-CG 3.45Å; K88-R97 PolarHBondContact O-N 2.77Å; D90-R97 HydrophobicContact CB-CG 4.32Å; R95-R97 PolarHBondContact O-N 2.99Å; R97-F99 VanDerWaalsContact C-N 3.31Å; R97-F99 HydrophobicContact CB-CD1 3.7Å; R97-F99 HydrophobicContact CB-CE1 3.39Å; R97-F99 HydrophobicContact CB-CZ 4.24Å; R97-F99 HydrophobicContact CG-CE1 4.31Å; R97-F99 WeakPolarHBondContact O-CD1 3.29Å
98G85.1Confident85Confident11 Ų1167.9 Ų67.911%0.11335%0.35CS..EExtended strand (participates in β ladder)trans76.218.8179.200000113.6G62 L63 S96G62-G98 PolarHBondContact N-O 2.7Å; G62-G98 VanDerWaalsContact N-O 3.12Å; L63-G98 PolarHBondContact N-O 2.83Å; S96-G98 PolarHBondContact O-N 3.16Å; S96-G98 PolarHBondContact OG-N 3.49Å
99F88.2Confident85Confident42 Ų4265.1 Ų65.118%0.18434%0.339CS..EExtended strand (participates in β ladder)trans-148.1156.8173.569.8-90.3000112F59 V60 K88 R97 F101F59-F99 HydrophobicContact CE2-CB 3.88Å; F59-F99 AromaticContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CD2 3.74Å; F59-F99 HydrophobicContact CE2-CG 4.08Å; F59-F99 HydrophobicContact CZ-CB 3.87Å; F59-F99 HydrophobicContact CZ-CD2 4.47Å; F59-F99 HydrophobicContact CZ-CG 4.38Å; V60-F99 CarbonylContact O-C 3.56Å; V60-F99 VanDerWaalsContact O-CA 3.23Å; V60-F99 WeakPolarHBondContact O-CA 3.29Å; K88-F99 HydrophobicContact CB-CD2 4.06Å; K88-F99 HydrophobicContact CB-CE1 4.47Å; K88-F99 HydrophobicContact CB-CE2 3.55Å; K88-F99 HydrophobicContact CB-CZ 3.77Å; K88-F99 HydrophobicContact CG-CD2 4.15Å; K88-F99 HydrophobicContact CG-CE2 3.55Å; K88-F99 HydrophobicContact CG-CZ 4.17Å; K88-F99 PolarHBondContact N-O 3.02Å; K88-F99 VanDerWaalsContact N-O 3.14Å; R97-F99 VanDerWaalsContact C-N 3.31Å; R97-F99 HydrophobicContact CB-CD1 3.7Å; R97-F99 HydrophobicContact CB-CE1 3.39Å; R97-F99 HydrophobicContact CB-CZ 4.24Å; R97-F99 HydrophobicContact CG-CE1 4.31Å; R97-F99 WeakPolarHBondContact O-CD1 3.29Å; F99-F101 HydrophobicContact CE2-CE2 4.49Å
100G89.6Confident84.8Confident0 Ų060.8 Ų60.80%032%0.317CS..EExtended strand (participates in β ladder)trans-155.3-177.9179.600000112.7V60 T86V60-G100 PolarHBondContact N-O 3.25Å; V60-G100 PolarHBondContact O-N 3.43Å; T86-G100 CarbonylContact O-C 3.49Å; T86-G100 WeakPolarHBondContact O-CA 3.43Å
101F89.6Confident84.9Confident22 Ų2263.3 Ų63.310%0.09633%0.327CS..EExtended strand (participates in β ladder)trans-125.5144.1176.5-62.5-86.2000109.8M58 F59 C85 T86 K88 F99 A131M58-F101 CarbonylContact O-C 3.46Å; M58-F101 VanDerWaalsContact O-CA 3.25Å; M58-F101 WeakPolarHBondContact O-CA 3.17Å; F59-F101 HydrophobicContact CB-CD1 4.42Å; F59-F101 HydrophobicContact CB-CE1 4.28Å; F59-F101 HydrophobicContact CD2-CD1 4.41Å; F59-F101 AromaticContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CE1 3.83Å; F59-F101 HydrophobicContact CD2-CZ 4.05Å; C85-F101 CarbonylContact C-O 3.52Å; C85-F101 VanDerWaalsContact CA-O 3.32Å; C85-F101 WeakPolarHBondContact CA-O 3.26Å; T86-F101 PolarHBondContact N-O 2.92Å; T86-F101 PolarHBondContact O-N 3.39Å; K88-F101 HydrophobicContact CG-CD2 4.43Å; K88-F101 HydrophobicContact CG-CE2 4.15Å; F99-F101 HydrophobicContact CE2-CE2 4.49Å; F101-A131 HydrophobicContact CD1-CB 4.47Å
102V88.7Confident85.2Confident0 Ų062.9 Ų62.90%031%0.312CS..EExtended strand (participates in β ladder)trans-126.4136.4175.2-175.50000107.7K57 M58 V60 L72 F76 V82 C85 F104K57-V102 CarbonylContact C-O 3.52Å; K57-V102 WeakPolarHBondContact CA-O 3.35Å; M58-V102 HydrophobicContact CB-CB 4.33Å; M58-V102 PolarHBondContact N-O 2.66Å; M58-V102 PolarHBondContact O-N 3.4Å; V60-V102 HydrophobicContact CG2-CG2 3.72Å; L72-V102 HydrophobicContact CD2-CG2 3.11Å; L72-V102 HydrophobicContact CG-CG2 4.49Å; F76-V102 HydrophobicContact CB-CG1 4.36Å; F76-V102 HydrophobicContact CD2-CG2 3.75Å; F76-V102 HydrophobicContact CE2-CG2 3.95Å; F76-V102 HydrophobicContact CG-CG1 4.44Å; F76-V102 HydrophobicContact CG-CG2 4.39Å; V82-V102 HydrophobicContact CB-CG1 4.49Å; V82-V102 HydrophobicContact CG1-CG1 3.69Å; V82-V102 HydrophobicContact CG2-CG1 4.04Å; C85-V102 HydrophobicContact CB-CG2 4.24Å; V102-F104 HydrophobicContact CB-CE2 4.38Å; V102-F104 HydrophobicContact CG1-CD2 4.13Å; V102-F104 HydrophobicContact CG1-CE2 3.81Å; V102-F104 HydrophobicContact CG1-CZ 4.07Å
103L87.7Confident85.6Confident20 Ų2054.5 Ų54.511%0.10527%0.271CS..EExtended strand (participates in β ladder)trans-111116.8171.2-177.267.3000108.1I46 D54 K57 V82 V83 D84I46-L103 HydrophobicContact CG2-CB 3.68Å; I46-L103 HydrophobicContact CG2-CD2 4.05Å; I46-L103 HydrophobicContact CG2-CG 4.35Å; D54-L103 HydrophobicContact CB-CD1 3.68Å; K57-L103 HydrophobicContact CB-CD1 4.09Å; V82-L103 CarbonylContact C-O 3.58Å; V83-L103 HydrophobicContact CB-CD2 4.19Å; V83-L103 HydrophobicContact CB-CG 4.22Å; V83-L103 HydrophobicContact CG1-CD2 4.05Å; V83-L103 PolarHBondContact N-O 3.26Å; D84-L103 HydrophobicContact CB-CB 4.41Å; D84-L103 PolarHBondContact N-O 3.37Å; D84-L103 PolarHBondContact O-N 2.74Å
104F89.1Confident85.7Confident5 Ų552.3 Ų52.32%0.02226%0.263CS..EExtended strand (participates in β ladder)trans-88.6152.1169.9-71-81.8000110.5G56 M58 F76 E81 V82 V102 N106 V110 V113G56-F104 PolarHBondContact O-N 3.15Å; M58-F104 HydrophobicContact CB-CE2 4.29Å; M58-F104 HydrophobicContact CG-CD2 4.34Å; M58-F104 HydrophobicContact CG-CE2 4.16Å; F76-F104 HydrophobicContact CB-CE1 4.08Å; F76-F104 HydrophobicContact CB-CZ 3.74Å; F76-F104 HydrophobicContact CD1-CE2 4.44Å; F76-F104 AromaticContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CD1-CZ 3.78Å; F76-F104 HydrophobicContact CG-CZ 4.02Å; E81-F104 WeakPolarHBondContact O-CA 2.92Å; V82-F104 HydrophobicContact CG2-CD1 4.07Å; V82-F104 HydrophobicContact CG2-CE1 3.71Å; V82-F104 HydrophobicContact CG2-CZ 4.37Å; V102-F104 HydrophobicContact CB-CE2 4.38Å; V102-F104 HydrophobicContact CG1-CD2 4.13Å; V102-F104 HydrophobicContact CG1-CE2 3.81Å; V102-F104 HydrophobicContact CG1-CZ 4.07Å; F104-N106 WeakPolarHBondContact CB-O 3.25Å; F104-V110 HydrophobicContact CB-CG2 4.31Å; F104-V110 HydrophobicContact CD2-CG2 3.66Å; F104-V110 HydrophobicContact CE2-CG2 4.4Å; F104-V110 HydrophobicContact CG-CG2 4.32Å; F104-V113 HydrophobicContact CZ-CG2 4.09Å
105K87.2Confident85.8Confident115 Ų11554.7 Ų54.750%0.527%0.271SS..SBendtrans-69.6-37.9172.9-169.6175.8-179176.30111.8E81 V83E81-K105 HydrophobicContact CB-CB 4.21Å; E81-K105 HydrophobicContact CB-CD 4.39Å; E81-K105 HydrophobicContact CG-CD 4.2Å; E81-K105 PolarHBondContact O-N 3.28Å; E81-K105 WeakPolarHBondContact OE1-CD 3.16Å; E81-K105 IonicContact OE1-NZ 3.84Å; E81-K105 PolarHBondContact OE1-NZ 2.78Å; E81-K105 WeakPolarHBondContact OE2-CD 3.32Å; E81-K105 IonicContact OE2-NZ 2.83Å; E81-K105 PolarHBondContact OE2-NZ 2.75Å; V83-K105 VanDerWaalsContact CG2-CA 3.49Å; V83-K105 HydrophobicContact CG2-CB 3.59Å; V83-K105 HydrophobicContact CG2-CG 4.21Å
106N85.4Confident85.9Confident82 Ų8252.7 Ų52.744%0.43927%0.267SS..SBendtrans-115.3133.3-177.9-62.8-26.5000110F104 E108 S109F104-N106 WeakPolarHBondContact CB-O 3.25Å; N106-E108 PolarHBondContact O-N 2.86Å; N106-S109 WeakPolarHBondContact O-CB 3.4Å; N106-S109 PolarHBondContact O-N 2.88Å
107P84.6Confident85.2Confident57 Ų5762.2 Ų62.237%0.3731%0.308SS..Hα-helixtrans-66.5-24.4176.227.6-34.4000112.3E55 S109 V110 E111E55-P107 HydrophobicContact CB-CB 3.89Å; P107-S109 PolarHBondContact O-N 3.32Å; P107-V110 VanDerWaalsContact O-CB 3.24Å; P107-V110 WeakPolarHBondContact O-CB 3.28Å; P107-V110 PolarHBondContact O-N 2.63Å; P107-E111 PolarHBondContact O-N 2.99Å
108E86.8Confident85.1Confident127 Ų12761 Ų6159%0.59331%0.309SS*.Hα-helixtrans-58.6-33.3174.8-63-171.6172.700113.1N106 V110 E111 K112N106-E108 PolarHBondContact O-N 2.86Å; E108-V110 VanDerWaalsContact C-N 3.27Å; E108-V110 PolarHBondContact O-N 3.32Å; E108-E111 PolarHBondContact O-N 3.2Å; E108-K112 WeakPolarHBondContact O-CG 3.3Å; E108-K112 PolarHBondContact O-N 2.97Å
109S85.8Confident85Confident7 Ų760.6 Ų60.65%0.04930%0.304CS..Hα-helixtrans-65.8-34.4177.6-65.30000111.5F79 G80 N106 P107 E111 K112 V113F79-S109 WeakPolarHBondContact O-CB 3.4Å; F79-S109 PolarHBondContact O-OG 3.05Å; G80-S109 WeakPolarHBondContact CA-OG 3.4Å; N106-S109 WeakPolarHBondContact O-CB 3.4Å; N106-S109 PolarHBondContact O-N 2.88Å; P107-S109 PolarHBondContact O-N 3.32Å; S109-E111 VanDerWaalsContact C-N 3.3Å; S109-E111 PolarHBondContact O-N 3.08Å; S109-K112 PolarHBondContact O-N 2.81Å; S109-V113 WeakPolarHBondContact O-CG2 3.36Å; S109-V113 PolarHBondContact O-N 2.79Å; S109-V113 VanDerWaalsContact O-N 3.12Å
110V83.6Confident84.8Confident2 Ų264.5 Ų64.51%0.01232%0.321CS..Hα-helixtrans-61.8-41.4173173.30000110.7M58 F104 P107 E108 V113 A114 K130M58-V110 HydrophobicContact CE-CG1 4.1Å; M58-V110 HydrophobicContact CG-CB 4.01Å; M58-V110 HydrophobicContact CG-CG1 3.5Å; M58-V110 HydrophobicContact CG-CG2 3.65Å; M58-V110 HydrophobicContact SD-CG1 3.67Å; F104-V110 HydrophobicContact CB-CG2 4.31Å; F104-V110 HydrophobicContact CD2-CG2 3.66Å; F104-V110 HydrophobicContact CE2-CG2 4.4Å; F104-V110 HydrophobicContact CG-CG2 4.32Å; P107-V110 VanDerWaalsContact O-CB 3.24Å; P107-V110 WeakPolarHBondContact O-CB 3.28Å; P107-V110 PolarHBondContact O-N 2.63Å; E108-V110 VanDerWaalsContact C-N 3.27Å; E108-V110 PolarHBondContact O-N 3.32Å; V110-V113 PolarHBondContact O-N 3.35Å; V110-A114 VanDerWaalsContact O-CB 3.3Å; V110-A114 WeakPolarHBondContact O-CB 3.11Å; V110-A114 PolarHBondContact O-N 3.26Å; V110-K130 HydrophobicContact CG1-CD 4.46Å; V110-K130 HydrophobicContact CG1-CG 3.85Å
111E84.9Confident84.5Confident105 Ų10564.9 Ų64.949%0.49132%0.323SS..Hα-helixtrans-70.5-37.1-179.8-51.9-152.7135.400112.6P107 E108 S109 A114 S115 K130P107-E111 PolarHBondContact O-N 2.99Å; E108-E111 PolarHBondContact O-N 3.2Å; S109-E111 VanDerWaalsContact C-N 3.3Å; S109-E111 PolarHBondContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.44Å; E111-S115 VanDerWaalsContact O-CB 3.29Å; E111-S115 WeakPolarHBondContact O-CB 3.39Å; E111-S115 PolarHBondContact O-N 3.12Å; E111-S115 PolarHBondContact O-OG 2.92Å; E111-K130 IonicContact OE1-NZ 2.81Å; E111-K130 PolarHBondContact OE1-NZ 2.86Å
112K85.9Confident84Confident115 Ų11568.1 Ų68.150%0.534%0.341SS..Hα-helixtrans-62.3-43.2174.4-71.6172.5-173.3170.10111.8E108 S109 S115E108-K112 WeakPolarHBondContact O-CG 3.3Å; E108-K112 PolarHBondContact O-N 2.97Å; S109-K112 PolarHBondContact O-N 2.81Å; K112-S115 PolarHBondContact O-N 3.14Å
113V85.6Confident83.5Confident0 Ų072.2 Ų72.20%038%0.384CS..Hα-helixtrans-66.4-48.9174.5177.40000109.8M58 F76 F79 F104 S109 V110 S115 Q116 H119 P128M58-V113 HydrophobicContact CE-CB 3.39Å; M58-V113 HydrophobicContact CE-CG1 3.22Å; M58-V113 HydrophobicContact CE-CG2 4.25Å; F76-V113 HydrophobicContact CD1-CG1 4.34Å; F76-V113 HydrophobicContact CD1-CG2 4.12Å; F76-V113 HydrophobicContact CE1-CG1 3.79Å; F76-V113 HydrophobicContact CE1-CG2 4.38Å; F79-V113 HydrophobicContact CB-CG2 3.41Å; F79-V113 VanDerWaalsContact CB-CG2 3.41Å; F79-V113 HydrophobicContact CD1-CG2 4.14Å; F79-V113 HydrophobicContact CD2-CG2 3.9Å; F79-V113 HydrophobicContact CG-CG2 3.54Å; F104-V113 HydrophobicContact CZ-CG2 4.09Å; S109-V113 WeakPolarHBondContact O-CG2 3.36Å; S109-V113 PolarHBondContact O-N 2.79Å; S109-V113 VanDerWaalsContact O-N 3.12Å; V110-V113 PolarHBondContact O-N 3.35Å; V113-S115 PolarHBondContact O-N 3.2Å; V113-S115 VanDerWaalsContact O-N 3.16Å; V113-Q116 WeakPolarHBondContact O-CB 3.42Å; V113-Q116 PolarHBondContact O-N 3.36Å; V113-H119 WeakPolarHBondContact CG1-NE2 3.41Å; V113-H119 PolarHBondContact O-NE2 3.06Å; V113-P128 HydrophobicContact CG1-CB 3.66Å; V113-P128 HydrophobicContact CG1-CG 3.49Å; V113-P128 VanDerWaalsContact CG1-CG 3.49Å
114A83.4Confident83.3Confident50 Ų5075.2 Ų75.241%0.41340%0.396SS..Hα-helixtrans-63-24.7179.600000113.9V110 E111 Q116V110-A114 VanDerWaalsContact O-CB 3.3Å; V110-A114 WeakPolarHBondContact O-CB 3.11Å; V110-A114 PolarHBondContact O-N 3.26Å; E111-A114 PolarHBondContact O-N 3.44Å; A114-Q116 VanDerWaalsContact C-N 3.3Å
115S83.4Confident83.1Confident99 Ų9978.9 Ų78.969%0.69242%0.418SS*.Hα-helixtrans-73.2-22.6175-62.80000112.7E111 K112 V113E111-S115 VanDerWaalsContact O-CB 3.29Å; E111-S115 WeakPolarHBondContact O-CB 3.39Å; E111-S115 PolarHBondContact O-N 3.12Å; E111-S115 PolarHBondContact O-OG 2.92Å; K112-S115 PolarHBondContact O-N 3.14Å; V113-S115 PolarHBondContact O-N 3.2Å; V113-S115 VanDerWaalsContact O-N 3.16Å
116Q81.8Confident83.2Confident86 Ų8673.6 Ų73.640%0.40240%0.396SS..  trans-78.4126.1172.8-73.8-164.3-17.500110.2F79 V113 A114 H119F79-Q116 HydrophobicContact CE1-CG 4.44Å; F79-Q116 VanDerWaalsContact CE1-NE2 3.35Å; V113-Q116 WeakPolarHBondContact O-CB 3.42Å; V113-Q116 PolarHBondContact O-N 3.36Å; A114-Q116 VanDerWaalsContact C-N 3.3Å; Q116-H119 VanDerWaalsContact CB-CE1 3.45Å; Q116-H119 WeakPolarHBondContact CB-CE1 3.37Å; Q116-H119 WeakPolarHBondContact CB-NE2 3.24Å; Q116-H119 PolarHBondContact OE1-CE1 3.39Å; Q116-H119 PolarHBondContact OE1-ND1 3.05Å
117K69.6Low83.2Confident207 Ų20774.7 Ų74.790%0.940%0.402SS*.SBendtrans-74.8-26.9-177.7-79.8-175.8174.9178.40114
118E81.1Confident83.2Confident129 Ų12972.6 Ų72.660%0.60339%0.388SS*.  trans-139.7126.4-178.7-68.4-168.3170.300110.7K120E118-K120 IonicContact OE2-NZ 2.8Å
119H83.4Confident83.2Confident2 Ų272.1 Ų72.11%0.00938%0.384CS..EExtended strand (participates in β ladder)trans-115.7137.5170.5-66.1-85000109.1Y75 V113 Q116 V125 I126 P128Y75-H119 HydrophobicContact CE1-CB 4.25Å; Y75-H119 AromaticContact CE1-ND1 3.74Å; Y75-H119 AromaticContact CZ-ND1 3.84Å; Y75-H119 WeakPolarHBondContact OH-CB 3.34Å; Y75-H119 PolarHBondContact OH-ND1 3.36Å; V113-H119 WeakPolarHBondContact CG1-NE2 3.41Å; V113-H119 PolarHBondContact O-NE2 3.06Å; Q116-H119 VanDerWaalsContact CB-CE1 3.45Å; Q116-H119 WeakPolarHBondContact CB-CE1 3.37Å; Q116-H119 WeakPolarHBondContact CB-NE2 3.24Å; Q116-H119 PolarHBondContact OE1-CE1 3.39Å; Q116-H119 PolarHBondContact OE1-ND1 3.05Å; H119-V125 CarbonylContact O-C 3.6Å; H119-V125 VanDerWaalsContact O-CA 3.3Å; H119-V125 WeakPolarHBondContact O-CA 3.22Å; H119-I126 HydrophobicContact CB-CD1 3.76Å; H119-I126 HydrophobicContact CB-CG1 3.2Å; H119-I126 PolarHBondContact O-N 3.23Å; H119-P128 HydrophobicContact CB-CG 4.47Å; H119-P128 WeakPolarHBondContact CD2-CD 3.23Å; H119-P128 WeakPolarHBondContact CD2-CG 3.32Å; H119-P128 WeakPolarHBondContact NE2-CG 3.41Å
120K84.4Confident83Confident125 Ų12577.1 Ų77.154%0.54341%0.405SS..EExtended strand (participates in β ladder)trans-127.6125.8178.2-68.1177.7-172.9170.70109.2Y75 E118 K124 V125Y75-K120 WeakPolarHBondContact CE2-O 2.91Å; E118-K120 IonicContact OE2-NZ 2.8Å; K120-K124 CarbonylContact C-O 3.54Å; K120-K124 VanDerWaalsContact CA-O 3.3Å; K120-K124 WeakPolarHBondContact CA-O 3.47Å; K120-V125 HydrophobicContact CG-CG2 4.11Å
121L83.3Confident82.6Confident8 Ų878.1 Ų78.14%0.04241%0.413CS..EExtended strand (participates in β ladder)trans-135.2129.5178.7-170150000108.7T67 D71 Y75 G123 K124 I126T67-L121 HydrophobicContact CG2-CD2 3.46Å; T67-L121 VanDerWaalsContact CG2-CD2 3.46Å; D71-L121 HydrophobicContact CB-CD2 4.45Å; Y75-L121 HydrophobicContact CD1-CD1 4.14Å; Y75-L121 HydrophobicContact CD2-CD1 4.27Å; Y75-L121 HydrophobicContact CG-CD1 3.73Å; L121-G123 PolarHBondContact O-N 3.26Å; L121-K124 PolarHBondContact N-O 3.22Å; L121-K124 PolarHBondContact O-N 2.92Å; L121-K124 VanDerWaalsContact O-O 3.14Å; L121-I126 HydrophobicContact CB-CD1 4.1Å; L121-I126 HydrophobicContact CB-CG2 3.82Å; L121-I126 HydrophobicContact CD1-CD1 4.43Å
122N78.2Confident81.8Confident89 Ų8981.2 Ų81.248%0.47643%0.425SS..THydrogen-bonded Turntrans50.841.5-177.6-62.1-13.9000113.4K124N122-K124 PolarHBondContact O-N 3.44Å
123G78.3Confident80.5Confident87 Ų8777.3 Ų77.390%0.89741%0.414SS*.THydrogen-bonded Turntrans74.22.7179.900000115.2L121L121-G123 PolarHBondContact O-N 3.26Å
124K83.1Confident79.1Confident82 Ų8284.4 Ų84.436%0.35745%0.449SS..EExtended strand (participates in β ladder)trans-113.5142.7179.7-162.1171.5173.9-169.40111.1G62 L63 K120 L121 N122 I126G62-K124 WeakPolarHBondContact O-CD 3.31Å; G62-K124 WeakPolarHBondContact O-CE 3.47Å; G62-K124 WeakPolarHBondContact O-CG 3.25Å; L63-K124 PolarHBondContact O-NZ 3.39Å; K120-K124 CarbonylContact C-O 3.54Å; K120-K124 VanDerWaalsContact CA-O 3.3Å; K120-K124 WeakPolarHBondContact CA-O 3.47Å; L121-K124 PolarHBondContact N-O 3.22Å; L121-K124 PolarHBondContact O-N 2.92Å; L121-K124 VanDerWaalsContact O-O 3.14Å; N122-K124 PolarHBondContact O-N 3.44Å; K124-I126 PolarHBondContact O-N 3.11Å
125V85.8Confident77.5Confident82 Ų8288.6 Ų88.650%0.49746%0.458SS..EExtended strand (participates in β ladder)trans-75.3123.8174.9-174.60000108.6H119 K120H119-V125 CarbonylContact O-C 3.6Å; H119-V125 VanDerWaalsContact O-CA 3.3Å; H119-V125 WeakPolarHBondContact O-CA 3.22Å; K120-V125 HydrophobicContact CG-CG2 4.11Å
126I88.8Confident75.7Confident4 Ų486.3 Ų86.32%0.02144%0.442CS..EExtended strand (participates in β ladder)trans-103.3148.4176.672.1176.1000109.1V60 G61 L63 Y75 F76 H119 L121 K124 P128V60-I126 HydrophobicContact CG1-CB 4.27Å; V60-I126 HydrophobicContact CG1-CD1 4.04Å; V60-I126 HydrophobicContact CG1-CG1 4.48Å; G61-I126 CarbonylContact O-C 3.52Å; G61-I126 WeakPolarHBondContact O-CA 3.48Å; L63-I126 HydrophobicContact CD2-CB 4.34Å; L63-I126 HydrophobicContact CD2-CG2 3.78Å; Y75-I126 HydrophobicContact CD1-CD1 4.13Å; Y75-I126 HydrophobicContact CE1-CD1 3.81Å; F76-I126 HydrophobicContact CE2-CD1 4.38Å; F76-I126 HydrophobicContact CZ-CD1 3.87Å; H119-I126 HydrophobicContact CB-CD1 3.76Å; H119-I126 HydrophobicContact CB-CG1 3.2Å; H119-I126 PolarHBondContact O-N 3.23Å; L121-I126 HydrophobicContact CB-CD1 4.1Å; L121-I126 HydrophobicContact CB-CG2 3.82Å; L121-I126 HydrophobicContact CD1-CD1 4.43Å; K124-I126 PolarHBondContact O-N 3.11Å; I126-P128 WeakPolarHBondContact O-CD 3.34Å
127D85.2Confident74.5Confident106 Ų10689.9 Ų89.957%0.56746%0.456SS*.EExtended strand (participates in β ladder)trans-119.787.7-178.5-174.836.6000109G61G61-D127 PolarHBondContact N-O 2.98Å; G61-D127 PolarHBondContact O-N 3.12Å
128P85.6Confident73.7Confident13 Ų1385.5 Ų85.58%0.08444%0.439CS..EExtended strand (participates in β ladder)trans-78.6127.5174.630.7-28.7000109.9M58 F59 V60 F76 V113 H119 I126M58-P128 HydrophobicContact CE-CB 3.83Å; M58-P128 HydrophobicContact SD-CB 4.42Å; F59-P128 CarbonylContact O-C 3.59Å; F59-P128 VanDerWaalsContact O-CA 3.3Å; F59-P128 WeakPolarHBondContact O-CA 3.09Å; V60-P128 HydrophobicContact CG2-CB 4.44Å; F76-P128 HydrophobicContact CE1-CB 4.3Å; F76-P128 HydrophobicContact CZ-CB 4.33Å; V113-P128 HydrophobicContact CG1-CB 3.66Å; V113-P128 HydrophobicContact CG1-CG 3.49Å; V113-P128 VanDerWaalsContact CG1-CG 3.49Å; H119-P128 HydrophobicContact CB-CG 4.47Å; H119-P128 WeakPolarHBondContact CD2-CD 3.23Å; H119-P128 WeakPolarHBondContact CD2-CG 3.32Å; H119-P128 WeakPolarHBondContact NE2-CG 3.41Å; I126-P128 WeakPolarHBondContact O-CD 3.34Å
129K85.6Confident72.4Confident117 Ų11782.5 Ų82.551%0.50943%0.431SS..EExtended strand (participates in β ladder)trans-131.7145-179.4-170.5169.4-172.5163.30109.2F59 A131F59-K129 HydrophobicContact CD1-CB 4.42Å; F59-K129 PolarHBondContact N-O 3.06Å; F59-K129 PolarHBondContact O-N 2.94Å; F59-K129 VanDerWaalsContact O-O 3.11Å; K129-A131 PolarHBondContact O-N 3.08Å; K129-A131 VanDerWaalsContact O-N 3.08Å
130K82.7Confident71.3Confident112 Ų11284.1 Ų84.149%0.48744%0.441SS..EExtended strand (participates in β ladder)trans-47.6122.9170.8-67.4-164.9175.2-168.70108.3V110 E111 K132V110-K130 HydrophobicContact CG1-CD 4.46Å; V110-K130 HydrophobicContact CG1-CG 3.85Å; E111-K130 IonicContact OE1-NZ 2.81Å; E111-K130 PolarHBondContact OE1-NZ 2.86Å; K130-K132 PolarHBondContact O-N 3.24Å
131A73.9Confident71Confident22 Ų2282.8 Ų82.818%0.18244%0.435CS..  trans-64.6113.1-176.900000106.9K57 F59 F101 K129 A133K57-A131 HydrophobicContact CB-CB 4.03Å; K57-A131 HydrophobicContact CD-CB 4.3Å; K57-A131 HydrophobicContact CG-CB 3.75Å; K57-A131 WeakPolarHBondContact O-CB 3.48Å; K57-A131 PolarHBondContact O-N 3.26Å; F59-A131 HydrophobicContact CB-CB 4.37Å; F101-A131 HydrophobicContact CD1-CB 4.47Å; K129-A131 PolarHBondContact O-N 3.08Å; K129-A131 VanDerWaalsContact O-N 3.08Å; A131-A133 PolarHBondContact O-N 3.45Å
132K67.9Low71.1Confident170 Ų17085.2 Ų85.274%0.73945%0.445SS*.  trans-69.1117159-64.2-172.1177.8-169.40104K130 M134K130-K132 PolarHBondContact O-N 3.24Å; K132-M134 PolarHBondContact O-N 3.2Å
133A59.8Low71.5Confident33 Ų3381 Ų8127%0.27342%0.423SS..  trans-46118.915800000104.6E53 A131 K135E53-A133 HydrophobicContact CG-CB 4.22Å; A131-A133 PolarHBondContact O-N 3.45Å; A133-K135 PolarHBondContact O-N 3.28Å
134M55.4Low71.9Confident150 Ų15079.3 Ų79.374%0.73939%0.39SS*.  trans-55.5110.5159.9-75.6-167.5-164.900101.4K132 S136K132-M134 PolarHBondContact O-N 3.2Å; M134-S136 PolarHBondContact O-N 2.72Å; M134-S136 PolarHBondContact O-OG 2.68Å
135K49.7Very low72.1Confident137 Ų13775.4 Ų75.460%0.59637%0.373SS*.  trans-55.790.4166.6-70.8-176.3170.6-1600103A133 K137 E138A133-K135 PolarHBondContact O-N 3.28Å; K135-K137 PolarHBondContact O-N 3.1Å; K135-E138 HydrophobicContact CD-CG 4.32Å; K135-E138 IonicContact NZ-OE1 2.87Å; K135-E138 PolarHBondContact NZ-OE1 3.38Å
136S47.1Very low72.1Confident52 Ų5271.8 Ų71.836%0.36435%0.353SS..  trans-59100.8172.7-53.50000101.1N51 M134 E138N51-S136 WeakPolarHBondContact OD1-CB 3.45Å; N51-S136 PolarHBondContact OD1-OG 2.77Å; M134-S136 PolarHBondContact O-N 2.72Å; M134-S136 PolarHBondContact O-OG 2.68Å; S136-E138 PolarHBondContact O-N 2.74Å; S136-E138 VanDerWaalsContact O-N 3.1Å
137K55.4Low71.8Confident160 Ų16073.6 Ų73.670%0.69637%0.373SS*.  trans3.296-171.6-72171.5175.6175.90109.7K135K135-K137 PolarHBondContact O-N 3.1Å
138E52.3Low71.6Confident115 Ų11569.1 Ų69.154%0.53735%0.349SS..  trans-30.3122.1174.2-79.4172.5-178.500107.2K135 S136 V140K135-E138 HydrophobicContact CD-CG 4.32Å; K135-E138 IonicContact NZ-OE1 2.87Å; K135-E138 PolarHBondContact NZ-OE1 3.38Å; S136-E138 PolarHBondContact O-N 2.74Å; S136-E138 VanDerWaalsContact O-N 3.1Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 VanDerWaalsContact O-CA 3.27Å; E138-V140 WeakPolarHBondContact O-CA 3.46Å; E138-V140 VanDerWaalsContact O-CG1 3.29Å; E138-V140 WeakPolarHBondContact O-CG1 3.38Å; E138-V140 PolarHBondContact O-N 2.62Å
139P53.6Low71.2Confident67 Ų6769.8 Ų69.844%0.43535%0.354SS..  trans-51.4107.7-172.819.9-31.4000106K141 E192P139-K141 PolarHBondContact O-N 2.95Å; P139-E192 HydrophobicContact CB-CB 4.25Å; P139-E192 WeakPolarHBondContact CB-OE2 3.38Å; P139-E192 WeakPolarHBondContact CG-OE2 3.5Å
140V62.3Low70.7Confident35 Ų3567.2 Ų67.221%0.21235%0.349CS..  trans-75.492.6-162.1-86.80000105.4E138 K142 V195 V215 A216E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 VanDerWaalsContact O-CA 3.27Å; E138-V140 WeakPolarHBondContact O-CA 3.46Å; E138-V140 VanDerWaalsContact O-CG1 3.29Å; E138-V140 WeakPolarHBondContact O-CG1 3.38Å; E138-V140 PolarHBondContact O-N 2.62Å; V140-K142 PolarHBondContact O-N 2.93Å; V140-V195 HydrophobicContact CG2-CG1 4.45Å; V140-V195 WeakPolarHBondContact O-CG1 3.36Å; V140-V195 WeakPolarHBondContact O-CG2 3.47Å; V140-V215 HydrophobicContact CB-CG1 4Å; V140-V215 HydrophobicContact CG1-CG1 3.79Å; V140-V215 HydrophobicContact CG2-CB 3.8Å; V140-V215 HydrophobicContact CG2-CG1 3.24Å; V140-V215 HydrophobicContact CG2-CG2 3.61Å; V140-A216 WeakPolarHBondContact CG1-O 3.49Å
141K78.1Confident70.3Confident98 Ų9868.3 Ų68.343%0.42636%0.36SS..SBendtrans-54.6-18.4169.3-63.5-168.8179.5-155.40111.1P139 T188 F189 K190P139-K141 PolarHBondContact O-N 2.95Å; K141-T188 HydrophobicContact CB-CG2 4.36Å; K141-T188 CarbonylContact O-C 3.56Å; K141-T188 WeakPolarHBondContact O-CA 3.46Å; K141-F189 WeakPolarHBondContact CB-O 3.23Å; K141-F189 PolarHBondContact O-N 3.29Å; K141-K190 PolarHBondContact NZ-O 3.26Å
142K84.6Confident70.5Confident59 Ų5967.9 Ų67.926%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-97.2124.4175.7-161.7166.7-178165.10112V140 E171 F186 I187 A216V140-K142 PolarHBondContact O-N 2.93Å; K142-E171 IonicContact NZ-OE1 2.76Å; K142-E171 PolarHBondContact NZ-OE1 2.84Å; K142-E171 IonicContact NZ-OE2 2.79Å; K142-E171 PolarHBondContact NZ-OE2 2.8Å; K142-F186 HydrophobicContact CD-CB 4.38Å; K142-F186 HydrophobicContact CG-CB 4.28Å; K142-I187 CarbonylContact C-O 3.55Å; K142-I187 VanDerWaalsContact CA-O 3.24Å; K142-I187 WeakPolarHBondContact CA-O 3.24Å; K142-A216 HydrophobicContact CB-CB 3.88Å; K142-A216 HydrophobicContact CD-CB 4.38Å; K142-A216 HydrophobicContact CG-CB 3.69Å; K142-A216 WeakPolarHBondContact O-CB 3.3Å; K142-A216 PolarHBondContact O-N 2.96Å; K142-A216 VanDerWaalsContact O-N 3.08Å
143I86.9Confident71.1Confident0 Ų061.7 Ų61.70%033%0.333CS..EExtended strand (participates in β ladder)trans-106.9149.8169.560.4165.4000110.7V145 F161 F186 I187 F189 V195 I198 V213I143-V145 HydrophobicContact CD1-CG2 3.83Å; I143-V145 HydrophobicContact CG1-CG2 4.23Å; I143-F161 HydrophobicContact CD1-CD1 4.13Å; I143-F161 HydrophobicContact CD1-CE1 3.89Å; I143-F161 HydrophobicContact CD1-CZ 4.43Å; I143-F186 CarbonylContact O-C 3.52Å; I143-F186 VanDerWaalsContact O-CA 3.27Å; I143-F186 WeakPolarHBondContact O-CA 3.27Å; I143-I187 HydrophobicContact CD1-CB 4.18Å; I143-I187 HydrophobicContact CD1-CD1 4.19Å; I143-I187 HydrophobicContact CG1-CB 3.73Å; I143-I187 HydrophobicContact CG1-CG1 4.48Å; I143-I187 PolarHBondContact N-O 3.12Å; I143-I187 PolarHBondContact O-N 3.37Å; I143-F189 HydrophobicContact CD1-CE2 3.57Å; I143-F189 HydrophobicContact CD1-CZ 4.2Å; I143-F189 HydrophobicContact CG1-CD2 4.46Å; I143-F189 HydrophobicContact CG1-CE2 3.81Å; I143-V195 HydrophobicContact CG2-CB 4.13Å; I143-V195 HydrophobicContact CG2-CG1 3.58Å; I143-V195 HydrophobicContact CG2-CG2 3.84Å; I143-I198 HydrophobicContact CD1-CD1 3.99Å; I143-I198 HydrophobicContact CD1-CG2 4.16Å; I143-V213 HydrophobicContact CB-CG1 3.92Å; I143-V213 HydrophobicContact CD1-CG1 3.83Å; I143-V213 HydrophobicContact CG1-CG1 4.4Å; I143-V213 HydrophobicContact CG2-CG1 4.35Å
144F87Confident72.2Confident51 Ų5164.1 Ų64.122%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-100.5124.4168.4169.6-92.2000108.2F184 F186 V213 K214 A216F144-F184 HydrophobicContact CD2-CB 4.43Å; F144-F184 HydrophobicContact CD2-CD2 4.33Å; F144-F184 HydrophobicContact CE2-CB 3.5Å; F144-F184 HydrophobicContact CE2-CD1 4.39Å; F144-F184 AromaticContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CE2 4.4Å; F144-F184 AromaticContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CZ-CB 3.59Å; F144-F184 HydrophobicContact CZ-CD2 4.48Å; F144-F184 HydrophobicContact CZ-CG 4.03Å; F144-F186 HydrophobicContact CB-CD1 4.12Å; F144-F186 HydrophobicContact CB-CE1 4.05Å; F144-F186 HydrophobicContact CD2-CD1 4.07Å; F144-F186 AromaticContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE2 4.5Å; F144-F186 AromaticContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CE2-CE1 4.49Å; F144-F186 HydrophobicContact CE2-CZ 4.31Å; F144-F186 HydrophobicContact CG-CE1 4.27Å; F144-V213 CarbonylContact O-C 3.42Å; F144-V213 WeakPolarHBondContact O-CA 3.2Å; F144-K214 HydrophobicContact CB-CB 4.48Å; F144-K214 HydrophobicContact CD1-CB 4.19Å; F144-K214 PolarHBondContact N-O 3.38Å; F144-K214 PolarHBondContact O-N 3.24Å; F144-A216 HydrophobicContact CB-CB 4.37Å
145V86.5Confident73.7Confident0 Ų064.5 Ų64.50%034%0.338CS..EExtended strand (participates in β ladder)trans-112.9107.3175.6-174.50000107.4I143 L148 F161 F184 C185 I187 C211 E212 V213I143-V145 HydrophobicContact CD1-CG2 3.83Å; I143-V145 HydrophobicContact CG1-CG2 4.23Å; V145-L148 HydrophobicContact CB-CD1 4.31Å; V145-L148 HydrophobicContact CG1-CD1 3.99Å; V145-L148 HydrophobicContact CG1-CG 4.14Å; V145-F161 HydrophobicContact CB-CZ 4.4Å; V145-F161 HydrophobicContact CG1-CE2 4.06Å; V145-F161 HydrophobicContact CG1-CZ 3.92Å; V145-F161 HydrophobicContact CG2-CE1 4.33Å; V145-F161 HydrophobicContact CG2-CE2 3.82Å; V145-F161 HydrophobicContact CG2-CZ 3.56Å; V145-F184 CarbonylContact O-C 3.52Å; V145-F184 WeakPolarHBondContact O-CA 3.44Å; V145-F184 WeakPolarHBondContact O-CB 3.29Å; V145-C185 PolarHBondContact N-O 2.88Å; V145-C185 PolarHBondContact O-N 3.48Å; V145-I187 HydrophobicContact CG2-CD1 3.76Å; V145-I187 HydrophobicContact CG2-CG1 4.31Å; V145-C211 HydrophobicContact CG1-CB 3.76Å; V145-E212 CarbonylContact C-O 3.59Å; V145-E212 WeakPolarHBondContact CA-O 3.48Å; V145-V213 HydrophobicContact CG1-CG2 4.26Å; V145-V213 HydrophobicContact CG2-CG1 4.45Å; V145-V213 HydrophobicContact CG2-CG2 4.15Å
146G85.6Confident75.3Confident6 Ų663.4 Ų63.46%0.06233%0.333CS..EExtended strand (participates in β ladder)trans-99.6163.217600000112.5G183 C211 E212G146-G183 CarbonylContact C-O 3.59Å; G146-C211 CarbonylContact O-C 3.39Å; G146-C211 WeakPolarHBondContact O-CA 3.46Å; G146-C211 WeakPolarHBondContact O-CB 3.49Å; G146-E212 PolarHBondContact N-O 3.21Å; G146-E212 PolarHBondContact O-N 3.12Å
147G81.8Confident77.1Confident43 Ų4361 Ų6144%0.44332%0.316SS..  trans78.121.417900000114.3G183G147-G183 WeakPolarHBondContact CA-O 3.27Å; G147-G183 PolarHBondContact N-O 3.03Å
148L82.1Confident78.6Confident12 Ų1260.4 Ų60.46%0.06331%0.31CS..  trans-74.7136170.7-75.6163.9000110V145 T152 V157 G183 C185 I206 C211V145-L148 HydrophobicContact CB-CD1 4.31Å; V145-L148 HydrophobicContact CG1-CD1 3.99Å; V145-L148 HydrophobicContact CG1-CG 4.14Å; L148-T152 HydrophobicContact CD2-CG2 4.21Å; L148-V157 HydrophobicContact CD1-CG2 4.26Å; L148-V157 HydrophobicContact CD2-CG2 3.99Å; L148-G183 PolarHBondContact N-O 2.98Å; L148-G183 CarbonylContact O-C 3.33Å; L148-G183 WeakPolarHBondContact O-CA 3.17Å; L148-C185 HydrophobicContact CD1-CB 3.8Å; L148-C185 WeakPolarHBondContact CD1-SG 3.16Å; L148-I206 HydrophobicContact CD2-CB 4.25Å; L148-I206 HydrophobicContact CD2-CD1 4.02Å; L148-I206 HydrophobicContact CD2-CG2 4.32Å; L148-C211 WeakPolarHBondContact CD2-SG 3.17Å
149S77.8Confident80.2Confident27 Ų2762.1 Ų62.119%0.18932%0.318CS..  trans-62.2141.9169.3172.40000109.9D151 T152 S209S149-D151 PolarHBondContact O-N 3.22Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-N 2.76Å; S149-T152 WeakPolarHBondContact O-CB 3.33Å; S149-T152 PolarHBondContact O-N 2.99Å; S149-S209 WeakPolarHBondContact CB-OG 3.25Å
150P73.6Confident81.8Confident62 Ų6262.6 Ų62.640%0.40331%0.311SS..THydrogen-bonded Turntrans-59.6-20.7173.626.7-36.3000113.3R181P150-R181 HydrophobicContact CB-CB 4.21Å; P150-R181 WeakPolarHBondContact O-CD 3.39Å; P150-R181 PolarHBondContact O-NH1 2.82Å
151D75.9Confident82.8Confident135 Ų13560.9 Ų60.972%0.72230%0.301SS*.THydrogen-bonded Turntrans-83.1-13.9178.3-57.1-51.8000112.9S149 P153S149-D151 PolarHBondContact O-N 3.22Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-N 2.76Å; D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.3Å
152T77.3Confident83.1Confident14 Ų1458 Ų589%0.08630%0.3CS..  trans-74115.4-179.4-57.80000110.4L148 S149 K156 V157 R181 I206L148-T152 HydrophobicContact CD2-CG2 4.21Å; S149-T152 WeakPolarHBondContact O-CB 3.33Å; S149-T152 PolarHBondContact O-N 2.99Å; T152-K156 HydrophobicContact CG2-CB 4.23Å; T152-V157 HydrophobicContact CG2-CG2 4.04Å; T152-R181 PolarHBondContact O-NH1 2.8Å; T152-R181 VanDerWaalsContact O-NH1 3.09Å; T152-I206 HydrophobicContact CG2-CG2 3.92Å
153P80.5Confident83.1Confident40 Ų4059.4 Ų59.426%0.2632%0.322SS..  trans-75.1158.9176.233.1-35.4000111.4D151 E155 K156D151-P153 VanDerWaalsContact O-CD 3.25Å; D151-P153 WeakPolarHBondContact O-CD 3.3Å; P153-E155 PolarHBondContact O-N 2.74Å; P153-K156 HydrophobicContact CG-CB 4.42Å; P153-K156 HydrophobicContact CG-CD 4.3Å; P153-K156 HydrophobicContact CG-CG 4Å; P153-K156 PolarHBondContact O-N 2.8Å
154E82.9Confident82.9Confident83 Ų8361.7 Ų61.739%0.38833%0.332SS..Hα-helixtrans-54.7-37174.7-179.6-179.8156.300112.6K156 V157 R158 I170 L172E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.81Å; E154-V157 CarbonylContact O-C 3.52Å; E154-V157 WeakPolarHBondContact O-CA 3.5Å; E154-V157 WeakPolarHBondContact O-CB 3.46Å; E154-V157 PolarHBondContact O-N 3.01Å; E154-R158 PolarHBondContact O-N 3.44Å; E154-I170 HydrophobicContact CG-CB 3.95Å; E154-I170 HydrophobicContact CG-CD1 3.82Å; E154-I170 HydrophobicContact CG-CG1 4.43Å; E154-I170 HydrophobicContact CG-CG2 4.03Å; E154-L172 HydrophobicContact CB-CD1 3.72Å; E154-L172 HydrophobicContact CB-CD2 4.41Å; E154-L172 HydrophobicContact CG-CD1 3.72Å
155E85.9Confident82.8Confident158 Ų15860.1 Ų60.174%0.73833%0.33SS*.Hα-helixtrans-55.8-44.6-178.9-66.2176.5178.600112.4P153 V157 R158 E159P153-E155 PolarHBondContact O-N 2.74Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.24Å; E155-R158 PolarHBondContact O-N 3.07Å; E155-E159 WeakPolarHBondContact O-CB 3.24Å; E155-E159 PolarHBondContact O-N 2.82Å
156K84.9Confident82.8Confident114 Ų11465.9 Ų65.950%0.49636%0.357SS..Hα-helixtrans-66.6-36177.4-71.9-169.4-178.3-177.90112.3T152 P153 E154 Y160T152-K156 HydrophobicContact CG2-CB 4.23Å; P153-K156 HydrophobicContact CG-CB 4.42Å; P153-K156 HydrophobicContact CG-CD 4.3Å; P153-K156 HydrophobicContact CG-CG 4Å; P153-K156 PolarHBondContact O-N 2.8Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.81Å; K156-Y160 WeakPolarHBondContact O-CB 3.39Å; K156-Y160 PolarHBondContact O-N 3.19Å
157V83.9Confident83Confident1 Ų166.2 Ų66.21%0.00636%0.358CS..Hα-helixtrans-65.8-46175.5177.70000108.9L148 T152 E154 E155 E159 Y160 F161 I170 I187L148-V157 HydrophobicContact CD1-CG2 4.26Å; L148-V157 HydrophobicContact CD2-CG2 3.99Å; T152-V157 HydrophobicContact CG2-CG2 4.04Å; E154-V157 CarbonylContact O-C 3.52Å; E154-V157 WeakPolarHBondContact O-CA 3.5Å; E154-V157 WeakPolarHBondContact O-CB 3.46Å; E154-V157 PolarHBondContact O-N 3.01Å; E155-V157 VanDerWaalsContact C-N 3.32Å; E155-V157 PolarHBondContact O-N 3.24Å; V157-E159 PolarHBondContact O-N 2.73Å; V157-Y160 PolarHBondContact O-N 3.28Å; V157-F161 HydrophobicContact CG1-CD2 3.55Å; V157-F161 HydrophobicContact CG1-CE2 3.86Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.3Å; V157-F161 PolarHBondContact O-N 3.37Å; V157-I170 HydrophobicContact CG1-CD1 4.45Å; V157-I170 HydrophobicContact CG1-CG2 4.5Å; V157-I187 HydrophobicContact CG1-CD1 3.53Å; V157-I187 HydrophobicContact CG1-CG1 4.24Å
158R86.6Confident83.2Confident148 Ų14870 Ų7056%0.55836%0.364SS*.Hα-helixtrans-63.3-41.4177.9-168.7175.2178.5172.80.2112.6E154 E155 G162 I170E154-R158 PolarHBondContact O-N 3.44Å; E155-R158 PolarHBondContact O-N 3.07Å; R158-G162 WeakPolarHBondContact O-CA 3.41Å; R158-G162 PolarHBondContact O-N 3.38Å; R158-I170 HydrophobicContact CB-CD1 3.53Å; R158-I170 HydrophobicContact CG-CD1 3.97Å
159E87Confident83.2Confident151 Ų15171.6 Ų71.671%0.70638%0.376SS*.Hα-helixtrans-64.5-47.3177.5-173.5180-17400110.9E155 V157 A163E155-E159 WeakPolarHBondContact O-CB 3.24Å; E155-E159 PolarHBondContact O-N 2.82Å; V157-E159 PolarHBondContact O-N 2.73Å; E159-A163 PolarHBondContact O-N 3.27Å
160Y86.1Confident83.5Confident77 Ų7771.2 Ų71.230%0.30237%0.372SS..Hα-helixtrans-65.7-49.1179.3-174.9-94.9000112.4K156 V157 A163 F164 H204 I206K156-Y160 WeakPolarHBondContact O-CB 3.39Å; K156-Y160 PolarHBondContact O-N 3.19Å; V157-Y160 PolarHBondContact O-N 3.28Å; Y160-A163 WeakPolarHBondContact O-CB 3.21Å; Y160-A163 PolarHBondContact O-N 3.5Å; Y160-F164 AromaticContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CE1-CD2 4.49Å; Y160-F164 AromaticContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CZ 4.18Å; Y160-F164 HydrophobicContact CE2-CE2 4.48Å; Y160-F164 AromaticContact CZ-CE2 3.83Å; Y160-F164 WeakPolarHBondContact O-CD2 3.41Å; Y160-F164 WeakPolarHBondContact O-CE2 3.45Å; Y160-H204 HydrophobicContact CE1-CB 3.84Å; Y160-H204 AromaticContact CE1-CG 3.95Å; Y160-H204 AromaticContact CE1-ND1 3.46Å; Y160-H204 WeakPolarHBondContact CE1-ND1 3.36Å; Y160-H204 AromaticContact CZ-ND1 3.69Å; Y160-H204 PolarHBondContact OH-ND1 3.09Å; Y160-I206 HydrophobicContact CD1-CD1 3.96Å; Y160-I206 HydrophobicContact CD1-CG1 3.89Å; Y160-I206 HydrophobicContact CE1-CD1 4.48Å; Y160-I206 HydrophobicContact CE1-CG1 4.24Å; Y160-I206 HydrophobicContact CG-CD1 4.46Å; Y160-I206 HydrophobicContact CG-CG1 4.09Å
161F84.6Confident84Confident0 Ų072.4 Ų72.40%037%0.372CS..Hα-helixtrans-77.5-25.4-178.8-74.9-71000113.2I143 V145 V157 A163 F164 G165 V167 I187 F189 I198 I206 V213I143-F161 HydrophobicContact CD1-CD1 4.13Å; I143-F161 HydrophobicContact CD1-CE1 3.89Å; I143-F161 HydrophobicContact CD1-CZ 4.43Å; V145-F161 HydrophobicContact CB-CZ 4.4Å; V145-F161 HydrophobicContact CG1-CE2 4.06Å; V145-F161 HydrophobicContact CG1-CZ 3.92Å; V145-F161 HydrophobicContact CG2-CE1 4.33Å; V145-F161 HydrophobicContact CG2-CE2 3.82Å; V145-F161 HydrophobicContact CG2-CZ 3.56Å; V157-F161 HydrophobicContact CG1-CD2 3.55Å; V157-F161 HydrophobicContact CG1-CE2 3.86Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 VanDerWaalsContact O-CD2 3.23Å; V157-F161 WeakPolarHBondContact O-CD2 3.3Å; V157-F161 PolarHBondContact O-N 3.37Å; F161-A163 PolarHBondContact O-N 3.33Å; F161-F164 PolarHBondContact O-N 2.77Å; F161-G165 PolarHBondContact O-N 2.92Å; F161-V167 HydrophobicContact CB-CG2 4.31Å; F161-I187 HydrophobicContact CB-CD1 3.96Å; F161-I187 HydrophobicContact CD1-CD1 4.12Å; F161-I187 HydrophobicContact CD2-CD1 3.08Å; F161-I187 HydrophobicContact CE1-CD1 4.41Å; F161-I187 HydrophobicContact CE2-CD1 3.43Å; F161-I187 VanDerWaalsContact CE2-CD1 3.43Å; F161-I187 HydrophobicContact CG-CD1 3.45Å; F161-I187 VanDerWaalsContact CG-CD1 3.45Å; F161-I187 HydrophobicContact CZ-CD1 4.1Å; F161-F189 HydrophobicContact CB-CE1 4.36Å; F161-F189 HydrophobicContact CB-CZ 3.98Å; F161-F189 HydrophobicContact CD1-CZ 4.18Å; F161-F189 HydrophobicContact CG-CZ 4.44Å; F161-I198 HydrophobicContact CD1-CD1 3.6Å; F161-I198 HydrophobicContact CD1-CG1 4.31Å; F161-I198 HydrophobicContact CE1-CD1 3.95Å; F161-I198 HydrophobicContact CE1-CG1 4.34Å; F161-I198 HydrophobicContact CE1-CG2 4.03Å; F161-I206 HydrophobicContact CD2-CD1 4.14Å; F161-I206 HydrophobicContact CE2-CD1 3.31Å; F161-I206 HydrophobicContact CZ-CD1 3.85Å; F161-V213 HydrophobicContact CE1-CG2 4.29Å; F161-V213 HydrophobicContact CZ-CG2 4.11Å
162G83.8Confident84.3Confident38 Ų3867.7 Ų67.739%0.39235%0.347SS..Hα-helixtrans-62.6-27.9171.400000113R158 F164 G165R158-G162 WeakPolarHBondContact O-CA 3.41Å; R158-G162 PolarHBondContact O-N 3.38Å; G162-F164 PolarHBondContact O-N 3.18Å; G162-G165 WeakPolarHBondContact CA-O 3.45Å; G162-G165 PolarHBondContact O-N 3.13Å
163A85.3Confident84.3Confident87 Ų8769.2 Ų69.272%0.71936%0.357SS*.THydrogen-bonded Turntrans-67.7-23172.700000113.3E159 Y160 F161E159-A163 PolarHBondContact O-N 3.27Å; Y160-A163 WeakPolarHBondContact O-CB 3.21Å; Y160-A163 PolarHBondContact O-N 3.5Å; F161-A163 PolarHBondContact O-N 3.33Å
164F83Confident84.1Confident48 Ų4872.3 Ų72.321%0.21137%0.369CS..THydrogen-bonded Turntrans-90.9-26.1177.6-64.9-89.8000112.5Y160 F161 G162 P194 M197 I198Y160-F164 AromaticContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CD1-CE2 3.99Å; Y160-F164 HydrophobicContact CE1-CD2 4.49Å; Y160-F164 AromaticContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CE2 3.55Å; Y160-F164 HydrophobicContact CE1-CZ 4.18Å; Y160-F164 HydrophobicContact CE2-CE2 4.48Å; Y160-F164 AromaticContact CZ-CE2 3.83Å; Y160-F164 WeakPolarHBondContact O-CD2 3.41Å; Y160-F164 WeakPolarHBondContact O-CE2 3.45Å; F161-F164 PolarHBondContact O-N 2.77Å; G162-F164 PolarHBondContact O-N 3.18Å; F164-P194 HydrophobicContact CB-CB 4.28Å; F164-P194 WeakPolarHBondContact O-CB 3.08Å; F164-M197 WeakPolarHBondContact O-CE 3.25Å; F164-I198 HydrophobicContact CB-CD1 4.06Å; F164-I198 HydrophobicContact CB-CG1 4.15Å; F164-I198 HydrophobicContact CD1-CG1 4.11Å; F164-I198 HydrophobicContact CD2-CG1 4.47Å; F164-I198 HydrophobicContact CG-CD1 4.32Å; F164-I198 HydrophobicContact CG-CG1 3.98Å
165G84.4Confident83.5Confident19 Ų1971.7 Ų71.720%0.19637%0.366CS..SBendtrans172.9171.3176.800000113.1F161 G162 V167F161-G165 PolarHBondContact O-N 2.92Å; G162-G165 WeakPolarHBondContact CA-O 3.45Å; G162-G165 PolarHBondContact O-N 3.13Å; G165-V167 PolarHBondContact O-N 2.73Å
166E86.9Confident82.7Confident120 Ų12070.6 Ų70.656%0.56137%0.37SS*.  trans-71.4114.5-176.3-162.6-180173.300111.6F189 K190E166-F189 WeakPolarHBondContact O-CA 3.39Å; E166-K190 HydrophobicContact CB-CD 4.4Å; E166-K190 HydrophobicContact CG-CD 4.08Å; E166-K190 PolarHBondContact O-N 2.87Å; E166-K190 VanDerWaalsContact OE1-CE 3.28Å; E166-K190 WeakPolarHBondContact OE1-CE 3.18Å; E166-K190 IonicContact OE1-NZ 2.68Å; E166-K190 PolarHBondContact OE1-NZ 3.41Å; E166-K190 WeakPolarHBondContact OE2-CD 3.45Å; E166-K190 IonicContact OE2-NZ 3.57Å; E166-K190 PolarHBondContact OE2-NZ 3.05Å
167V88.1Confident81.8Confident14 Ų1474.2 Ų74.29%0.08539%0.386CS..EExtended strand (participates in β ladder)trans-80.7123178.4179.80000110F161 G165 I170 I187 F189F161-V167 HydrophobicContact CB-CG2 4.31Å; G165-V167 PolarHBondContact O-N 2.73Å; V167-I170 HydrophobicContact CG1-CD1 4.01Å; V167-I170 HydrophobicContact CG1-CG1 3.52Å; V167-I187 HydrophobicContact CB-CG2 4.44Å; V167-I187 HydrophobicContact CG1-CG2 3.65Å; V167-I187 HydrophobicContact CG2-CG2 4Å; V167-F189 HydrophobicContact CG2-CD1 3.95Å; V167-F189 HydrophobicContact CG2-CE1 3.58Å; V167-F189 HydrophobicContact CG2-CZ 4.33Å
168E86.3Confident81Confident121 Ų12177.5 Ų77.557%0.56541%0.407SS*.EExtended strand (participates in β ladder)trans-81.5-47.5176-173.1-178.9-17300111.6T188 K190E168-T188 WeakPolarHBondContact CA-O 3.36Å; E168-T188 WeakPolarHBondContact CB-O 3.34Å; E168-T188 PolarHBondContact N-O 3.5Å; E168-K190 HydrophobicContact CB-CG 3.97Å; E168-K190 HydrophobicContact CG-CG 4.46Å
169S82Confident79.9Confident46 Ų4677 Ų7732%0.32242%0.415SS..EExtended strand (participates in β ladder)trans-153.1148.2178.957.10000112.5T188S169-T188 PolarHBondContact N-O 3.26Å; S169-T188 VanDerWaalsContact N-O 3.14Å; S169-T188 PolarHBondContact O-N 2.96Å; S169-T188 VanDerWaalsContact OG-CB 3.29Å; S169-T188 WeakPolarHBondContact OG-CB 3.45Å; S169-T188 PolarHBondContact OG-OG1 3.31Å
170I84.2Confident78.9Confident20 Ų2076.7 Ų76.710%0.10341%0.411CS..EExtended strand (participates in β ladder)trans-122.4126.1172.3-49.5177.7000108.4E154 V157 R158 V167 L172 C185 F186 I187E154-I170 HydrophobicContact CG-CB 3.95Å; E154-I170 HydrophobicContact CG-CD1 3.82Å; E154-I170 HydrophobicContact CG-CG1 4.43Å; E154-I170 HydrophobicContact CG-CG2 4.03Å; V157-I170 HydrophobicContact CG1-CD1 4.45Å; V157-I170 HydrophobicContact CG1-CG2 4.5Å; R158-I170 HydrophobicContact CB-CD1 3.53Å; R158-I170 HydrophobicContact CG-CD1 3.97Å; V167-I170 HydrophobicContact CG1-CD1 4.01Å; V167-I170 HydrophobicContact CG1-CG1 3.52Å; I170-L172 HydrophobicContact CB-CD1 4.32Å; I170-L172 HydrophobicContact CG2-CD1 3.46Å; I170-L172 VanDerWaalsContact CG2-CD1 3.46Å; I170-L172 HydrophobicContact CG2-CG 4.45Å; I170-C185 HydrophobicContact CG2-CB 4.41Å; I170-F186 CarbonylContact C-O 3.54Å; I170-F186 WeakPolarHBondContact CA-O 3.36Å; I170-I187 HydrophobicContact CG1-CG1 4.38Å; I170-I187 HydrophobicContact CG1-CG2 4.4Å; I170-I187 HydrophobicContact CG2-CG1 4.06Å
171E83.5Confident77.9Confident87 Ų8777 Ų7741%0.40741%0.412SS..EExtended strand (participates in β ladder)trans-110.2120.8175-67.7168.4-143.700108.9K142 P173 C185 F186K142-E171 IonicContact NZ-OE1 2.76Å; K142-E171 PolarHBondContact NZ-OE1 2.84Å; K142-E171 IonicContact NZ-OE2 2.79Å; K142-E171 PolarHBondContact NZ-OE2 2.8Å; E171-P173 VanDerWaalsContact O-CD 3.3Å; E171-P173 WeakPolarHBondContact O-CD 3.35Å; E171-C185 CarbonylContact O-C 3.57Å; E171-C185 WeakPolarHBondContact O-CA 3.45Å; E171-C185 WeakPolarHBondContact O-CB 3.09Å; E171-F186 HydrophobicContact CB-CB 4.29Å; E171-F186 PolarHBondContact N-O 2.78Å; E171-F186 PolarHBondContact O-N 3.24Å
172L82.4Confident77Confident36 Ų3682.8 Ų82.819%0.18843%0.434CS..  trans-113.887.6173.3-68.688.3000109.6E154 I170 M174 C185E154-L172 HydrophobicContact CB-CD1 3.72Å; E154-L172 HydrophobicContact CB-CD2 4.41Å; E154-L172 HydrophobicContact CG-CD1 3.72Å; I170-L172 HydrophobicContact CB-CD1 4.32Å; I170-L172 HydrophobicContact CG2-CD1 3.46Å; I170-L172 VanDerWaalsContact CG2-CD1 3.46Å; I170-L172 HydrophobicContact CG2-CG 4.45Å; L172-M174 PolarHBondContact O-N 3.08Å; L172-M174 VanDerWaalsContact O-N 3.09Å; L172-C185 HydrophobicContact CD1-CB 4.44Å; L172-C185 HydrophobicContact CD2-CB 4.44Å; L172-C185 HydrophobicContact CG-CB 3.78Å
173P77.6Confident76.6Confident45 Ų4582.4 Ų82.429%0.29243%0.43SS..  trans-61.4115.5176.7-25.436.9000111.6E171 R182 F184 F186E171-P173 VanDerWaalsContact O-CD 3.3Å; E171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-R182 WeakPolarHBondContact O-CB 3.45Å; P173-R182 WeakPolarHBondContact O-CG 3.29Å; P173-R182 PolarHBondContact O-N 3.25Å; P173-F184 HydrophobicContact CB-CE2 4.12Å; P173-F184 HydrophobicContact CB-CZ 4.42Å; P173-F184 HydrophobicContact CG-CE2 3.91Å; P173-F186 HydrophobicContact CG-CD2 4.2Å; P173-F186 HydrophobicContact CG-CE2 4.13Å
174M77.3Confident76.6Confident106 Ų10680.4 Ų80.452%0.52241%0.405SS..BIsolated β-bridgetrans-83.5147.2173.3-57.9-174.4-170.300110.5L172 T176L172-M174 PolarHBondContact O-N 3.08Å; L172-M174 VanDerWaalsContact O-N 3.09Å; M174-T176 PolarHBondContact O-N 2.97Å
175E70.2Confident76.7Confident70 Ų7078.1 Ų78.133%0.32740%0.395SS..  trans-75.5115.7176.7-170.7162.4-13000110.1K177 T178 N179 K180 R182E175-K177 PolarHBondContact O-N 2.8Å; E175-T178 PolarHBondContact O-N 3.14Å; E175-T178 PolarHBondContact OE2-OG1 3.03Å; E175-N179 WeakPolarHBondContact O-CA 3.38Å; E175-N179 PolarHBondContact O-N 2.98Å; E175-K180 WeakPolarHBondContact CB-O 3.41Å; E175-K180 PolarHBondContact N-O 3.15Å; E175-R182 HydrophobicContact CB-CG 3.76Å
176T67.8Low76.9Confident134 Ų13479.3 Ų79.382%0.82240%0.395SS*.THydrogen-bonded Turntrans-63.8-16.3-17454.90000114.5M174M174-T176 PolarHBondContact O-N 2.97Å
177K67.7Low76.9Confident191 Ų19173.6 Ų73.683%0.8337%0.368SS*.THydrogen-bonded Turntrans-93.9-28.4-177.5-63.1-175.5179.7-177.70113.8E175E175-K177 PolarHBondContact O-N 2.8Å
178T66.9Low76.8Confident70 Ų7073.9 Ų73.943%0.42937%0.37SS..THydrogen-bonded Turntrans-121-7.6-17257.60000112.4E175 K180E175-T178 PolarHBondContact O-N 3.14Å; E175-T178 PolarHBondContact OE2-OG1 3.03Å; T178-K180 PolarHBondContact O-N 2.89Å; T178-K180 PolarHBondContact OG1-N 3.2Å
179N62.8Low76.9Confident137 Ų13768.1 Ų68.173%0.73334%0.343SS*.  trans49.419.6-168.4-87.8-44.9000113.4E175E175-N179 WeakPolarHBondContact O-CA 3.38Å; E175-N179 PolarHBondContact O-N 2.98Å
180K66.1Low77Confident144 Ų14470 Ų7063%0.62635%0.345SS*.PPolyproline II helixtrans-88.7138.6173.1-67.2-177.9-179.7-175.30107.6E175 T178 R182E175-K180 WeakPolarHBondContact CB-O 3.41Å; E175-K180 PolarHBondContact N-O 3.15Å; T178-K180 PolarHBondContact O-N 2.89Å; T178-K180 PolarHBondContact OG1-N 3.2Å; K180-R182 PolarHBondContact O-N 2.78Å
181R65.3Low76.9Confident83 Ų8374.7 Ų74.731%0.31337%0.367SS..BIsolated β-bridgetrans-60.1126174-58.6-168-178.8135.4-11.5107.3P150 T152 G183P150-R181 HydrophobicContact CB-CB 4.21Å; P150-R181 WeakPolarHBondContact O-CD 3.39Å; P150-R181 PolarHBondContact O-NH1 2.82Å; T152-R181 PolarHBondContact O-NH1 2.8Å; T152-R181 VanDerWaalsContact O-NH1 3.09Å; R181-G183 PolarHBondContact O-N 3.45Å
182R65.4Low76.9Confident123 Ų12373.7 Ų73.746%0.46436%0.362SS..PPolyproline II helixtrans-64.1126166.3-56.6-176.3109.9-172.12.8103.7P173 E175 K180 F184P173-R182 WeakPolarHBondContact O-CB 3.45Å; P173-R182 WeakPolarHBondContact O-CG 3.29Å; P173-R182 PolarHBondContact O-N 3.25Å; E175-R182 HydrophobicContact CB-CG 3.76Å; K180-R182 PolarHBondContact O-N 2.78Å; R182-F184 HydrophobicContact CB-CD1 3.6Å; R182-F184 HydrophobicContact CB-CE1 3.24Å; R182-F184 HydrophobicContact CB-CG 4.43Å; R182-F184 HydrophobicContact CB-CZ 3.79Å; R182-F184 HydrophobicContact CG-CE1 4.05Å; R182-F184 HydrophobicContact CG-CZ 4.36Å; R182-F184 PolarHBondContact O-N 2.84Å
183G76.3Confident76.9Confident30 Ų3078.2 Ų78.231%0.30938%0.382SS..SBendtrans-67.647.2-171.500000113.8G146 G147 L148 R181G146-G183 CarbonylContact C-O 3.59Å; G147-G183 WeakPolarHBondContact CA-O 3.27Å; G147-G183 PolarHBondContact N-O 3.03Å; L148-G183 PolarHBondContact N-O 2.98Å; L148-G183 CarbonylContact O-C 3.33Å; L148-G183 WeakPolarHBondContact O-CA 3.17Å; R181-G183 PolarHBondContact O-N 3.45Å
184F84.3Confident77.2Confident45 Ų4576.2 Ų76.220%0.19737%0.369CS..EExtended strand (participates in β ladder)trans-149.2151.7176.865.8-100.5000110.6F144 V145 P173 R182 F186F144-F184 HydrophobicContact CD2-CB 4.43Å; F144-F184 HydrophobicContact CD2-CD2 4.33Å; F144-F184 HydrophobicContact CE2-CB 3.5Å; F144-F184 HydrophobicContact CE2-CD1 4.39Å; F144-F184 AromaticContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CD2 3.62Å; F144-F184 HydrophobicContact CE2-CE2 4.4Å; F144-F184 AromaticContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CE2-CG 3.61Å; F144-F184 HydrophobicContact CZ-CB 3.59Å; F144-F184 HydrophobicContact CZ-CD2 4.48Å; F144-F184 HydrophobicContact CZ-CG 4.03Å; V145-F184 CarbonylContact O-C 3.52Å; V145-F184 WeakPolarHBondContact O-CA 3.44Å; V145-F184 WeakPolarHBondContact O-CB 3.29Å; P173-F184 HydrophobicContact CB-CE2 4.12Å; P173-F184 HydrophobicContact CB-CZ 4.42Å; P173-F184 HydrophobicContact CG-CE2 3.91Å; R182-F184 HydrophobicContact CB-CD1 3.6Å; R182-F184 HydrophobicContact CB-CE1 3.24Å; R182-F184 HydrophobicContact CB-CG 4.43Å; R182-F184 HydrophobicContact CB-CZ 3.79Å; R182-F184 HydrophobicContact CG-CE1 4.05Å; R182-F184 HydrophobicContact CG-CZ 4.36Å; R182-F184 PolarHBondContact O-N 2.84Å; F184-F186 HydrophobicContact CD2-CE2 4.01Å; F184-F186 AromaticContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CZ 4.33Å
185C85.5Confident77.4Confident0 Ų071.7 Ų71.70%035%0.347CS..EExtended strand (participates in β ladder)trans-132.9164.117074.30000110.5V145 L148 I170 E171 L172V145-C185 PolarHBondContact N-O 2.88Å; V145-C185 PolarHBondContact O-N 3.48Å; L148-C185 HydrophobicContact CD1-CB 3.8Å; L148-C185 WeakPolarHBondContact CD1-SG 3.16Å; I170-C185 HydrophobicContact CG2-CB 4.41Å; E171-C185 CarbonylContact O-C 3.57Å; E171-C185 WeakPolarHBondContact O-CA 3.45Å; E171-C185 WeakPolarHBondContact O-CB 3.09Å; L172-C185 HydrophobicContact CD1-CB 4.44Å; L172-C185 HydrophobicContact CD2-CB 4.44Å; L172-C185 HydrophobicContact CG-CB 3.78Å
186F87.9Confident78Confident44 Ų4474.3 Ų74.319%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-114.3137166.1-59.1-90.4000109.5K142 I143 F144 I170 E171 P173 F184 A216K142-F186 HydrophobicContact CD-CB 4.38Å; K142-F186 HydrophobicContact CG-CB 4.28Å; I143-F186 CarbonylContact O-C 3.52Å; I143-F186 VanDerWaalsContact O-CA 3.27Å; I143-F186 WeakPolarHBondContact O-CA 3.27Å; F144-F186 HydrophobicContact CB-CD1 4.12Å; F144-F186 HydrophobicContact CB-CE1 4.05Å; F144-F186 HydrophobicContact CD2-CD1 4.07Å; F144-F186 AromaticContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE1 3.53Å; F144-F186 HydrophobicContact CD2-CE2 4.5Å; F144-F186 AromaticContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CD2-CZ 3.76Å; F144-F186 HydrophobicContact CE2-CE1 4.49Å; F144-F186 HydrophobicContact CE2-CZ 4.31Å; F144-F186 HydrophobicContact CG-CE1 4.27Å; I170-F186 CarbonylContact C-O 3.54Å; I170-F186 WeakPolarHBondContact CA-O 3.36Å; E171-F186 HydrophobicContact CB-CB 4.29Å; E171-F186 PolarHBondContact N-O 2.78Å; E171-F186 PolarHBondContact O-N 3.24Å; P173-F186 HydrophobicContact CG-CD2 4.2Å; P173-F186 HydrophobicContact CG-CE2 4.13Å; F184-F186 HydrophobicContact CD2-CE2 4.01Å; F184-F186 AromaticContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CE2 3.73Å; F184-F186 HydrophobicContact CE2-CZ 4.33Å; F186-A216 HydrophobicContact CD1-CB 3.97Å; F186-A216 HydrophobicContact CE1-CB 4.31Å
187I87.3Confident78.6Confident0 Ų072.1 Ų72.10%034%0.339CS..EExtended strand (participates in β ladder)trans-123.7125.1179.4-57172.4000107.2K142 I143 V145 V157 F161 V167 I170 F189K142-I187 CarbonylContact C-O 3.55Å; K142-I187 VanDerWaalsContact CA-O 3.24Å; K142-I187 WeakPolarHBondContact CA-O 3.24Å; I143-I187 HydrophobicContact CD1-CB 4.18Å; I143-I187 HydrophobicContact CD1-CD1 4.19Å; I143-I187 HydrophobicContact CG1-CB 3.73Å; I143-I187 HydrophobicContact CG1-CG1 4.48Å; I143-I187 PolarHBondContact N-O 3.12Å; I143-I187 PolarHBondContact O-N 3.37Å; V145-I187 HydrophobicContact CG2-CD1 3.76Å; V145-I187 HydrophobicContact CG2-CG1 4.31Å; V157-I187 HydrophobicContact CG1-CD1 3.53Å; V157-I187 HydrophobicContact CG1-CG1 4.24Å; F161-I187 HydrophobicContact CB-CD1 3.96Å; F161-I187 HydrophobicContact CD1-CD1 4.12Å; F161-I187 HydrophobicContact CD2-CD1 3.08Å; F161-I187 HydrophobicContact CE1-CD1 4.41Å; F161-I187 HydrophobicContact CE2-CD1 3.43Å; F161-I187 VanDerWaalsContact CE2-CD1 3.43Å; F161-I187 HydrophobicContact CG-CD1 3.45Å; F161-I187 VanDerWaalsContact CG-CD1 3.45Å; F161-I187 HydrophobicContact CZ-CD1 4.1Å; V167-I187 HydrophobicContact CB-CG2 4.44Å; V167-I187 HydrophobicContact CG1-CG2 3.65Å; V167-I187 HydrophobicContact CG2-CG2 4Å; I170-I187 HydrophobicContact CG1-CG1 4.38Å; I170-I187 HydrophobicContact CG1-CG2 4.4Å; I170-I187 HydrophobicContact CG2-CG1 4.06Å; I187-F189 HydrophobicContact CB-CE2 4.38Å; I187-F189 HydrophobicContact CG2-CD2 4.17Å; I187-F189 HydrophobicContact CG2-CE1 4.33Å; I187-F189 HydrophobicContact CG2-CE2 3.77Å; I187-F189 HydrophobicContact CG2-CZ 3.85Å
188T86.8Confident79.4Confident20 Ų2063 Ų6312%0.12330%0.3CS..EExtended strand (participates in β ladder)trans-101.8123.2171.7-45.10000108K141 E168 S169K141-T188 HydrophobicContact CB-CG2 4.36Å; K141-T188 CarbonylContact O-C 3.56Å; K141-T188 WeakPolarHBondContact O-CA 3.46Å; E168-T188 WeakPolarHBondContact CA-O 3.36Å; E168-T188 WeakPolarHBondContact CB-O 3.34Å; E168-T188 PolarHBondContact N-O 3.5Å; S169-T188 PolarHBondContact N-O 3.26Å; S169-T188 VanDerWaalsContact N-O 3.14Å; S169-T188 PolarHBondContact O-N 2.96Å; S169-T188 VanDerWaalsContact OG-CB 3.29Å; S169-T188 WeakPolarHBondContact OG-CB 3.45Å; S169-T188 PolarHBondContact OG-OG1 3.31Å
189F88Confident80Confident0 Ų063.2 Ų63.20%030%0.297CS..EExtended strand (participates in β ladder)trans-96154.5173.4-68.4-84.9000110.9K141 I143 F161 E166 V167 I187 E191 P194 V195 I198K141-F189 WeakPolarHBondContact CB-O 3.23Å; K141-F189 PolarHBondContact O-N 3.29Å; I143-F189 HydrophobicContact CD1-CE2 3.57Å; I143-F189 HydrophobicContact CD1-CZ 4.2Å; I143-F189 HydrophobicContact CG1-CD2 4.46Å; I143-F189 HydrophobicContact CG1-CE2 3.81Å; F161-F189 HydrophobicContact CB-CE1 4.36Å; F161-F189 HydrophobicContact CB-CZ 3.98Å; F161-F189 HydrophobicContact CD1-CZ 4.18Å; F161-F189 HydrophobicContact CG-CZ 4.44Å; E166-F189 WeakPolarHBondContact O-CA 3.39Å; V167-F189 HydrophobicContact CG2-CD1 3.95Å; V167-F189 HydrophobicContact CG2-CE1 3.58Å; V167-F189 HydrophobicContact CG2-CZ 4.33Å; I187-F189 HydrophobicContact CB-CE2 4.38Å; I187-F189 HydrophobicContact CG2-CD2 4.17Å; I187-F189 HydrophobicContact CG2-CE1 4.33Å; I187-F189 HydrophobicContact CG2-CE2 3.77Å; I187-F189 HydrophobicContact CG2-CZ 3.85Å; F189-E191 VanDerWaalsContact CB-O 3.27Å; F189-E191 WeakPolarHBondContact CB-O 3.35Å; F189-P194 HydrophobicContact CB-CG 3.76Å; F189-P194 HydrophobicContact CD1-CB 3.71Å; F189-P194 HydrophobicContact CD1-CG 3.56Å; F189-P194 HydrophobicContact CD2-CB 4.32Å; F189-P194 HydrophobicContact CD2-CG 4.24Å; F189-P194 HydrophobicContact CE1-CB 3.76Å; F189-P194 HydrophobicContact CE1-CG 4.16Å; F189-P194 HydrophobicContact CE2-CB 4.34Å; F189-P194 HydrophobicContact CG-CB 3.99Å; F189-P194 HydrophobicContact CG-CG 3.6Å; F189-P194 HydrophobicContact CZ-CB 4.09Å; F189-V195 HydrophobicContact CD2-CG2 3.75Å; F189-V195 HydrophobicContact CE2-CG2 4.38Å; F189-V195 HydrophobicContact CG-CG2 4.49Å; F189-I198 HydrophobicContact CE1-CD1 4.46Å; F189-I198 HydrophobicContact CE2-CD1 3.72Å; F189-I198 HydrophobicContact CZ-CD1 3.47Å; F189-I198 VanDerWaalsContact CZ-CD1 3.47Å
190K84.8Confident80.8Confident86 Ų8664.6 Ų64.637%0.37430%0.299SS..SBendtrans-67.4-41.6170.3-67.9-170.4-178.4175.40111.6K141 E166 E168K141-K190 PolarHBondContact NZ-O 3.26Å; E166-K190 HydrophobicContact CB-CD 4.4Å; E166-K190 HydrophobicContact CG-CD 4.08Å; E166-K190 PolarHBondContact O-N 2.87Å; E166-K190 VanDerWaalsContact OE1-CE 3.28Å; E166-K190 WeakPolarHBondContact OE1-CE 3.18Å; E166-K190 IonicContact OE1-NZ 2.68Å; E166-K190 PolarHBondContact OE1-NZ 3.41Å; E166-K190 WeakPolarHBondContact OE2-CD 3.45Å; E166-K190 IonicContact OE2-NZ 3.57Å; E166-K190 PolarHBondContact OE2-NZ 3.05Å; E168-K190 HydrophobicContact CB-CG 3.97Å; E168-K190 HydrophobicContact CG-CG 4.46Å
191E82.1Confident81.4Confident117 Ų11763.9 Ų63.955%0.54730%0.296SS..SBendtrans-105.3154.7-176.7-61.9-55.3146.400112.6F189 P194F189-E191 VanDerWaalsContact CB-O 3.27Å; F189-E191 WeakPolarHBondContact CB-O 3.35Å; E191-P194 HydrophobicContact CB-CG 4.43Å; E191-P194 WeakPolarHBondContact O-CD 3.41Å; E191-P194 VanDerWaalsContact O-CG 3.3Å; E191-P194 WeakPolarHBondContact O-CG 3.31Å
192E81.7Confident81.7Confident66 Ų6667.2 Ų67.231%0.30831%0.312SS..SBendtrans-86.8-1717759.8164.5-139.100114.1P139 V195 K196P139-E192 HydrophobicContact CB-CB 4.25Å; P139-E192 WeakPolarHBondContact CB-OE2 3.38Å; P139-E192 WeakPolarHBondContact CG-OE2 3.5Å; E192-V195 WeakPolarHBondContact O-CB 3.27Å; E192-V195 PolarHBondContact O-N 3.04Å; E192-K196 PolarHBondContact O-N 2.68Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.79Å; E192-K196 PolarHBondContact OE1-NZ 3.41Å
193E83.4Confident82.4Confident132 Ų13267.4 Ų67.462%0.61731%0.314SS*.Hα-helixtrans-58.6-48177.4-59.6-155.9152.700114.3V195 K196 M197E193-V195 PolarHBondContact O-N 3.12Å; E193-K196 PolarHBondContact O-N 2.8Å; E193-K196 VanDerWaalsContact O-N 3.11Å; E193-M197 PolarHBondContact O-N 2.98Å; E193-M197 VanDerWaalsContact O-N 3.12Å
194P82.9Confident82.7Confident3 Ų366.1 Ų66.12%0.01930%0.3CS..Hα-helixtrans-55-39.6175.216.4-30.7000112F164 F189 E191 K196 M197 I198F164-P194 HydrophobicContact CB-CB 4.28Å; F164-P194 WeakPolarHBondContact O-CB 3.08Å; F189-P194 HydrophobicContact CB-CG 3.76Å; F189-P194 HydrophobicContact CD1-CB 3.71Å; F189-P194 HydrophobicContact CD1-CG 3.56Å; F189-P194 HydrophobicContact CD2-CB 4.32Å; F189-P194 HydrophobicContact CD2-CG 4.24Å; F189-P194 HydrophobicContact CE1-CB 3.76Å; F189-P194 HydrophobicContact CE1-CG 4.16Å; F189-P194 HydrophobicContact CE2-CB 4.34Å; F189-P194 HydrophobicContact CG-CB 3.99Å; F189-P194 HydrophobicContact CG-CG 3.6Å; F189-P194 HydrophobicContact CZ-CB 4.09Å; E191-P194 HydrophobicContact CB-CG 4.43Å; E191-P194 WeakPolarHBondContact O-CD 3.41Å; E191-P194 VanDerWaalsContact O-CG 3.3Å; E191-P194 WeakPolarHBondContact O-CG 3.31Å; P194-K196 VanDerWaalsContact C-N 3.35Å; P194-K196 PolarHBondContact O-N 2.81Å; P194-M197 PolarHBondContact O-N 2.89Å; P194-I198 HydrophobicContact CB-CD1 4.34Å; P194-I198 VanDerWaalsContact O-CB 3.32Å; P194-I198 WeakPolarHBondContact O-CB 3.35Å; P194-I198 VanDerWaalsContact O-CD1 3.22Å; P194-I198 WeakPolarHBondContact O-CD1 3.36Å; P194-I198 WeakPolarHBondContact O-CG1 3.3Å; P194-I198 PolarHBondContact O-N 2.95Å
195V82.4Confident82.4Confident10 Ų1069.1 Ų69.16%0.06132%0.318CS..Hα-helixtrans-62.9-42.5-179.8178.80000111.2V140 I143 F189 E192 E193 M199V140-V195 HydrophobicContact CG2-CG1 4.45Å; V140-V195 WeakPolarHBondContact O-CG1 3.36Å; V140-V195 WeakPolarHBondContact O-CG2 3.47Å; I143-V195 HydrophobicContact CG2-CB 4.13Å; I143-V195 HydrophobicContact CG2-CG1 3.58Å; I143-V195 HydrophobicContact CG2-CG2 3.84Å; F189-V195 HydrophobicContact CD2-CG2 3.75Å; F189-V195 HydrophobicContact CE2-CG2 4.38Å; F189-V195 HydrophobicContact CG-CG2 4.49Å; E192-V195 WeakPolarHBondContact O-CB 3.27Å; E192-V195 PolarHBondContact O-N 3.04Å; E193-V195 PolarHBondContact O-N 3.12Å; V195-M199 HydrophobicContact CG1-CG 4.22Å; V195-M199 VanDerWaalsContact O-CB 3.25Å; V195-M199 WeakPolarHBondContact O-CB 3.12Å; V195-M199 WeakPolarHBondContact O-CG 2.99Å; V195-M199 PolarHBondContact O-N 2.99Å
196K82.1Confident82Confident126 Ų12669.4 Ų69.455%0.54832%0.32SS..Hα-helixtrans-64.2-45.9178.1-67.5176.3-170.9166.60111.4E192 E193 P194 I198 M199 E200E192-K196 PolarHBondContact O-N 2.68Å; E192-K196 WeakPolarHBondContact OE1-CE 3.4Å; E192-K196 IonicContact OE1-NZ 2.79Å; E192-K196 PolarHBondContact OE1-NZ 3.41Å; E193-K196 PolarHBondContact O-N 2.8Å; E193-K196 VanDerWaalsContact O-N 3.11Å; P194-K196 VanDerWaalsContact C-N 3.35Å; P194-K196 PolarHBondContact O-N 2.81Å; K196-I198 PolarHBondContact O-N 2.87Å; K196-M199 PolarHBondContact O-N 3.28Å; K196-E200 PolarHBondContact O-N 2.71Å; K196-E200 VanDerWaalsContact O-N 3.13Å
197M81.6Confident81.3Confident88 Ų8870.4 Ų70.443%0.43334%0.342SS..Hα-helixtrans-63.5-41.4178.7-69.1-171.4-79.600112.6F164 E193 P194 E200F164-M197 WeakPolarHBondContact O-CE 3.25Å; E193-M197 PolarHBondContact O-N 2.98Å; E193-M197 VanDerWaalsContact O-N 3.12Å; P194-M197 PolarHBondContact O-N 2.89Å; M197-E200 WeakPolarHBondContact O-CB 3.43Å; M197-E200 PolarHBondContact O-N 3.46Å
198I83.3Confident80.3Confident0 Ų079.2 Ų79.20%039%0.388CS..Hα-helixtrans-68.5-37.5177.4-66.6162.3000110.4I143 F161 F164 F189 P194 K196 E200 K201 H204 V213I143-I198 HydrophobicContact CD1-CD1 3.99Å; I143-I198 HydrophobicContact CD1-CG2 4.16Å; F161-I198 HydrophobicContact CD1-CD1 3.6Å; F161-I198 HydrophobicContact CD1-CG1 4.31Å; F161-I198 HydrophobicContact CE1-CD1 3.95Å; F161-I198 HydrophobicContact CE1-CG1 4.34Å; F161-I198 HydrophobicContact CE1-CG2 4.03Å; F164-I198 HydrophobicContact CB-CD1 4.06Å; F164-I198 HydrophobicContact CB-CG1 4.15Å; F164-I198 HydrophobicContact CD1-CG1 4.11Å; F164-I198 HydrophobicContact CD2-CG1 4.47Å; F164-I198 HydrophobicContact CG-CD1 4.32Å; F164-I198 HydrophobicContact CG-CG1 3.98Å; F189-I198 HydrophobicContact CE1-CD1 4.46Å; F189-I198 HydrophobicContact CE2-CD1 3.72Å; F189-I198 HydrophobicContact CZ-CD1 3.47Å; F189-I198 VanDerWaalsContact CZ-CD1 3.47Å; P194-I198 HydrophobicContact CB-CD1 4.34Å; P194-I198 VanDerWaalsContact O-CB 3.32Å; P194-I198 WeakPolarHBondContact O-CB 3.35Å; P194-I198 VanDerWaalsContact O-CD1 3.22Å; P194-I198 WeakPolarHBondContact O-CD1 3.36Å; P194-I198 WeakPolarHBondContact O-CG1 3.3Å; P194-I198 PolarHBondContact O-N 2.95Å; K196-I198 PolarHBondContact O-N 2.87Å; I198-E200 VanDerWaalsContact C-N 3.27Å; I198-E200 PolarHBondContact O-N 3.34Å; I198-K201 CarbonylContact O-C 3.57Å; I198-K201 PolarHBondContact O-N 2.78Å; I198-H204 WeakPolarHBondContact CG2-NE2 3.02Å; I198-H204 PolarHBondContact O-NE2 3.41Å; I198-V213 HydrophobicContact CG2-CB 3.76Å; I198-V213 HydrophobicContact CG2-CG1 3.48Å; I198-V213 VanDerWaalsContact CG2-CG1 3.48Å; I198-V213 HydrophobicContact CG2-CG2 3.77Å
199M80.1Confident79.8Confident74 Ų7479.6 Ų79.637%0.36539%0.391SS..Hα-helixtrans-67.8-25177.3-76.2-70-6100113.6V195 K196 K201 V215V195-M199 HydrophobicContact CG1-CG 4.22Å; V195-M199 VanDerWaalsContact O-CB 3.25Å; V195-M199 WeakPolarHBondContact O-CB 3.12Å; V195-M199 WeakPolarHBondContact O-CG 2.99Å; V195-M199 PolarHBondContact O-N 2.99Å; K196-M199 PolarHBondContact O-N 3.28Å; M199-K201 VanDerWaalsContact C-N 3.32Å; M199-V215 HydrophobicContact CE-CG2 3.64Å; M199-V215 HydrophobicContact CG-CG2 4.44Å; M199-V215 HydrophobicContact SD-CG2 3.81Å
200E79.8Confident79.5Confident166 Ų16685.6 Ų85.678%0.77642%0.418SS*.Hα-helixtrans-65.9-37.5173.1-166.2172.6-175.500111.2K196 M197 I198K196-E200 PolarHBondContact O-N 2.71Å; K196-E200 VanDerWaalsContact O-N 3.13Å; M197-E200 WeakPolarHBondContact O-CB 3.43Å; M197-E200 PolarHBondContact O-N 3.46Å; I198-E200 VanDerWaalsContact C-N 3.27Å; I198-E200 PolarHBondContact O-N 3.34Å
201K77.7Confident79.5Confident129 Ų12981.5 Ų81.556%0.56140%0.4SS*.SBendtrans-97.691.3175.2-68.3179.8-176.3173.70110.5I198 M199 Y203 H204I198-K201 CarbonylContact O-C 3.57Å; I198-K201 PolarHBondContact O-N 2.78Å; M199-K201 VanDerWaalsContact C-N 3.32Å; K201-Y203 PolarHBondContact O-N 2.79Å; K201-H204 PolarHBondContact O-CD2 2.79Å; K201-H204 PolarHBondContact O-NE2 3.27Å
202K71.5Confident79.6Confident153 Ų15379.1 Ų79.167%0.66539%0.389SS*.SBendtrans-52.4-23.5-179.5-67.3-177.2179.1176.80115.7V213K202-V213 PolarHBondContact O-N 2.76Å
203Y81.6Confident79.8Confident127 Ų12776.4 Ų76.450%0.49838%0.377SS..EExtended strand (participates in β ladder)trans-132.1135.1179.9-58.5-75000111.7K201 K210 C211 E212K201-Y203 PolarHBondContact O-N 2.79Å; Y203-K210 VanDerWaalsContact CB-CE 3.44Å; Y203-K210 HydrophobicContact CD1-CD 4.32Å; Y203-K210 HydrophobicContact CD1-CG 4.26Å; Y203-K210 HydrophobicContact CG-CD 4.49Å; Y203-C211 CarbonylContact C-O 3.54Å; Y203-C211 VanDerWaalsContact CA-O 3.31Å; Y203-C211 WeakPolarHBondContact CA-O 3.43Å; Y203-E212 HydrophobicContact CD1-CB 4.31Å; Y203-E212 HydrophobicContact CE1-CB 4.28Å; Y203-E212 HydrophobicContact CE1-CG 4.21Å
204H81.8Confident79.8Confident3 Ų374.8 Ų74.81%0.01437%0.367CS..EExtended strand (participates in β ladder)trans-124.5139.3177.1-69.7-94.4000109.5Y160 I198 K201 C211Y160-H204 HydrophobicContact CE1-CB 3.84Å; Y160-H204 AromaticContact CE1-CG 3.95Å; Y160-H204 AromaticContact CE1-ND1 3.46Å; Y160-H204 WeakPolarHBondContact CE1-ND1 3.36Å; Y160-H204 AromaticContact CZ-ND1 3.69Å; Y160-H204 PolarHBondContact OH-ND1 3.09Å; I198-H204 WeakPolarHBondContact CG2-NE2 3.02Å; I198-H204 PolarHBondContact O-NE2 3.41Å; K201-H204 PolarHBondContact O-CD2 2.79Å; K201-H204 PolarHBondContact O-NE2 3.27Å; H204-C211 PolarHBondContact N-O 2.81Å; H204-C211 WeakPolarHBondContact O-CA 3.37Å; H204-C211 WeakPolarHBondContact O-CB 3.38Å; H204-C211 PolarHBondContact O-N 3.39Å
205N79.2Confident79.7Confident108 Ų10876.5 Ų76.558%0.57838%0.378SS*.EExtended strand (participates in β ladder)trans-100.6116.5177.7-66.4-16.1000108.7
206I76.7Confident79.2Confident6 Ų676.4 Ų76.43%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-118.3106.1178.9-57.5174000107.5L148 T152 Y160 F161 L208 S209 C211L148-I206 HydrophobicContact CD2-CB 4.25Å; L148-I206 HydrophobicContact CD2-CD1 4.02Å; L148-I206 HydrophobicContact CD2-CG2 4.32Å; T152-I206 HydrophobicContact CG2-CG2 3.92Å; Y160-I206 HydrophobicContact CD1-CD1 3.96Å; Y160-I206 HydrophobicContact CD1-CG1 3.89Å; Y160-I206 HydrophobicContact CE1-CD1 4.48Å; Y160-I206 HydrophobicContact CE1-CG1 4.24Å; Y160-I206 HydrophobicContact CG-CD1 4.46Å; Y160-I206 HydrophobicContact CG-CG1 4.09Å; F161-I206 HydrophobicContact CD2-CD1 4.14Å; F161-I206 HydrophobicContact CE2-CD1 3.31Å; F161-I206 HydrophobicContact CZ-CD1 3.85Å; I206-L208 PolarHBondContact O-N 3.36Å; I206-S209 PolarHBondContact N-O 3.45Å; I206-S209 PolarHBondContact O-N 2.96Å; I206-C211 HydrophobicContact CD1-CB 4.42Å
207G72.3Confident78.6Confident64 Ų6473.1 Ų73.166%0.6637%0.368SS*.THydrogen-bonded Turntrans66.8-122.9-171.200000111.8
208L67Low77.6Confident186 Ų18671.9 Ų71.997%0.97437%0.368SS*.THydrogen-bonded Turntrans-94.61179.4-66.6168.8000113.2I206I206-L208 PolarHBondContact O-N 3.36Å
209S75.1Confident76.4Confident27 Ų2780.4 Ų80.419%0.18941%0.405CS..EExtended strand (participates in β ladder)trans-113.5138-173.1-58.40000112.1S149 I206S149-S209 WeakPolarHBondContact CB-OG 3.25Å; I206-S209 PolarHBondContact N-O 3.45Å; I206-S209 PolarHBondContact O-N 2.96Å
210K82.6Confident75.3Confident127 Ų12784.1 Ų84.155%0.55242%0.422SS*.EExtended strand (participates in β ladder)trans-86113.7171.7-176.8176.6179.5-178.90108.9Y203Y203-K210 VanDerWaalsContact CB-CE 3.44Å; Y203-K210 HydrophobicContact CD1-CD 4.32Å; Y203-K210 HydrophobicContact CD1-CG 4.26Å; Y203-K210 HydrophobicContact CG-CD 4.49Å
211C84.6Confident74.2Confident0 Ų080.4 Ų80.40%040%0.404CS..EExtended strand (participates in β ladder)trans-97.4139.8-179.8-51.10000110.6V145 G146 L148 Y203 H204 I206V145-C211 HydrophobicContact CG1-CB 3.76Å; G146-C211 CarbonylContact O-C 3.39Å; G146-C211 WeakPolarHBondContact O-CA 3.46Å; G146-C211 WeakPolarHBondContact O-CB 3.49Å; L148-C211 WeakPolarHBondContact CD2-SG 3.17Å; Y203-C211 CarbonylContact C-O 3.54Å; Y203-C211 VanDerWaalsContact CA-O 3.31Å; Y203-C211 WeakPolarHBondContact CA-O 3.43Å; H204-C211 PolarHBondContact N-O 2.81Å; H204-C211 WeakPolarHBondContact O-CA 3.37Å; H204-C211 WeakPolarHBondContact O-CB 3.38Å; H204-C211 PolarHBondContact O-N 3.39Å; I206-C211 HydrophobicContact CD1-CB 4.42Å
212E84.8Confident73.3Confident67 Ų6781.1 Ų81.131%0.31341%0.405SS..EExtended strand (participates in β ladder)trans-101.9129.7172.7-175.7-173.7-158.400108.6V145 G146 Y203 K214V145-E212 CarbonylContact C-O 3.59Å; V145-E212 WeakPolarHBondContact CA-O 3.48Å; G146-E212 PolarHBondContact N-O 3.21Å; G146-E212 PolarHBondContact O-N 3.12Å; Y203-E212 HydrophobicContact CD1-CB 4.31Å; Y203-E212 HydrophobicContact CE1-CB 4.28Å; Y203-E212 HydrophobicContact CE1-CG 4.21Å; E212-K214 VanDerWaalsContact CD-CE 3.41Å; E212-K214 WeakPolarHBondContact OE1-CE 3.05Å; E212-K214 IonicContact OE1-NZ 2.66Å; E212-K214 PolarHBondContact OE1-NZ 3.09Å; E212-K214 IonicContact OE2-NZ 2.99Å; E212-K214 PolarHBondContact OE2-NZ 3.02Å
213V85.9Confident72.6Confident9 Ų979.9 Ų79.96%0.05540%0.401CS..EExtended strand (participates in β ladder)trans-106.4133.5176.2-171.70000110.6I143 F144 V145 F161 I198 K202I143-V213 HydrophobicContact CB-CG1 3.92Å; I143-V213 HydrophobicContact CD1-CG1 3.83Å; I143-V213 HydrophobicContact CG1-CG1 4.4Å; I143-V213 HydrophobicContact CG2-CG1 4.35Å; F144-V213 CarbonylContact O-C 3.42Å; F144-V213 WeakPolarHBondContact O-CA 3.2Å; V145-V213 HydrophobicContact CG1-CG2 4.26Å; V145-V213 HydrophobicContact CG2-CG1 4.45Å; V145-V213 HydrophobicContact CG2-CG2 4.15Å; F161-V213 HydrophobicContact CE1-CG2 4.29Å; F161-V213 HydrophobicContact CZ-CG2 4.11Å; I198-V213 HydrophobicContact CG2-CB 3.76Å; I198-V213 HydrophobicContact CG2-CG1 3.48Å; I198-V213 VanDerWaalsContact CG2-CG1 3.48Å; I198-V213 HydrophobicContact CG2-CG2 3.77Å; K202-V213 PolarHBondContact O-N 2.76Å
214K83.8Confident71.3Confident97 Ų9779.8 Ų79.842%0.42241%0.405SS..EExtended strand (participates in β ladder)trans-132.1154.3175.9-71.4173.7168.1143.10109.7F144 E212 A216F144-K214 HydrophobicContact CB-CB 4.48Å; F144-K214 HydrophobicContact CD1-CB 4.19Å; F144-K214 PolarHBondContact N-O 3.38Å; F144-K214 PolarHBondContact O-N 3.24Å; E212-K214 VanDerWaalsContact CD-CE 3.41Å; E212-K214 WeakPolarHBondContact OE1-CE 3.05Å; E212-K214 IonicContact OE1-NZ 2.66Å; E212-K214 PolarHBondContact OE1-NZ 3.09Å; E212-K214 IonicContact OE2-NZ 2.99Å; E212-K214 PolarHBondContact OE2-NZ 3.02Å; K214-A216 PolarHBondContact O-N 3.19Å
215V80.7Confident70.1Confident40 Ų4085.5 Ų85.524%0.24243%0.432CS..EExtended strand (participates in β ladder)trans-53.7123.3164.41590000109V140 M199 V217V140-V215 HydrophobicContact CB-CG1 4Å; V140-V215 HydrophobicContact CG1-CG1 3.79Å; V140-V215 HydrophobicContact CG2-CB 3.8Å; V140-V215 HydrophobicContact CG2-CG1 3.24Å; V140-V215 HydrophobicContact CG2-CG2 3.61Å; M199-V215 HydrophobicContact CE-CG2 3.64Å; M199-V215 HydrophobicContact CG-CG2 4.44Å; M199-V215 HydrophobicContact SD-CG2 3.81Å; V215-V217 PolarHBondContact O-N 3.03Å
216A71.4Confident68.8Low7 Ų786.7 Ų86.76%0.05843%0.434CS..PPolyproline II helixtrans-70.9120.6175.700000109.1V140 K142 F144 F186 K214V140-A216 WeakPolarHBondContact CG1-O 3.49Å; K142-A216 HydrophobicContact CB-CB 3.88Å; K142-A216 HydrophobicContact CD-CB 4.38Å; K142-A216 HydrophobicContact CG-CB 3.69Å; K142-A216 WeakPolarHBondContact O-CB 3.3Å; K142-A216 PolarHBondContact O-N 2.96Å; K142-A216 VanDerWaalsContact O-N 3.08Å; F144-A216 HydrophobicContact CB-CB 4.37Å; F186-A216 HydrophobicContact CD1-CB 3.97Å; F186-A216 HydrophobicContact CE1-CB 4.31Å; K214-A216 PolarHBondContact O-N 3.19Å
217V68.6Low67.4Low58 Ų5895.5 Ų95.535%0.35247%0.468SS..PPolyproline II helixtrans-86.9133.2171-176.90000107.3V215 Q221V215-V217 PolarHBondContact O-N 3.03Å; V217-Q221 HydrophobicContact CG1-CB 3.43Å; V217-Q221 VanDerWaalsContact CG1-CB 3.43Å
218S60.3Low65.9Low61 Ų61102.4 Ų102.443%0.42747%0.474SS..PPolyproline II helixtrans-58.6147.4177.473.80000110.2E220 Q221 Y222S218-E220 PolarHBondContact O-N 3.12Å; S218-E220 VanDerWaalsContact O-N 3.12Å; S218-Q221 PolarHBondContact O-N 2.93Å; S218-Q221 PolarHBondContact OG-N 2.63Å; S218-Y222 PolarHBondContact O-N 2.77Å
219K59.9Low64.6Low180 Ų18097.2 Ų97.278%0.78347%0.466SS*.Hα-helixtrans-54.9-34.5-179.2-168.4177.4179.3-175.60111.7Q223K219-Q223 WeakPolarHBondContact O-CB 3.35Å; K219-Q223 PolarHBondContact O-N 2.93Å
220E57.2Low63.1Low151 Ų15199.3 Ų99.371%0.70649%0.492SS*.Hα-helixtrans-68.7-43.3177.1-165.7174.9-178.600112.6S218 Q223 Q224S218-E220 PolarHBondContact O-N 3.12Å; S218-E220 VanDerWaalsContact O-N 3.12Å; E220-Q223 PolarHBondContact O-N 3.29Å; E220-Q224 WeakPolarHBondContact O-CB 3.41Å; E220-Q224 PolarHBondContact O-N 2.83Å
221Q55.1Low61.3Low89 Ų89104.2 Ų104.242%0.41651%0.507SS..Hα-helixtrans-65.9-38.3173.4-85.3179.7-6.600112.5V217 S218 Q224 Q225V217-Q221 HydrophobicContact CG1-CB 3.43Å; V217-Q221 VanDerWaalsContact CG1-CB 3.43Å; S218-Q221 PolarHBondContact O-N 2.93Å; S218-Q221 PolarHBondContact OG-N 2.63Å; Q221-Q224 PolarHBondContact O-N 3.24Å; Q221-Q225 PolarHBondContact O-N 3.46Å
222Y59.6Low59.1Low144 Ų144107 Ų10757%0.56554%0.535SS*.Hα-helixtrans-65.8-40.1176.9-168.7-95.9000111.6S218 Q225 Q226S218-Y222 PolarHBondContact O-N 2.77Å; Y222-Q225 PolarHBondContact O-N 3.21Å; Y222-Q226 HydrophobicContact CE1-CG 4.43Å; Y222-Q226 WeakPolarHBondContact O-CG 3.46Å; Y222-Q226 PolarHBondContact O-N 3.45Å
223Q57.1Low56.8Low126 Ų126107.3 Ų107.359%0.58956%0.557SS**Hα-helixtrans-68.8-34.8176.8-150.2164.636.200111.7K219 E220 Y227K219-Q223 WeakPolarHBondContact O-CB 3.35Å; K219-Q223 PolarHBondContact O-N 2.93Å; E220-Q223 PolarHBondContact O-N 3.29Å; Q223-Y227 PolarHBondContact O-N 2.87Å
224Q54.7Low54.6Low125 Ų125117.1 Ų117.158%0.58459%0.594SS**Hα-helixtrans-73.1-32.7176.2-160.6169.369.700113.1E220 Q221 Y227 W228E220-Q224 WeakPolarHBondContact O-CB 3.41Å; E220-Q224 PolarHBondContact O-N 2.83Å; Q221-Q224 PolarHBondContact O-N 3.24Å; Q224-Y227 WeakPolarHBondContact O-CB 3.41Å; Q224-Y227 PolarHBondContact O-N 3.31Å; Q224-W228 PolarHBondContact O-N 3.21Å
225Q55.3Low52.3Low124 Ų124116.7 Ų116.758%0.57960%0.603SS**Hα-helixtrans-67.6-34.7173.1-84.6178.211.600113.1Q221 Y222 Y227 W228 G229Q221-Q225 PolarHBondContact O-N 3.46Å; Y222-Q225 PolarHBondContact O-N 3.21Å; Q225-Y227 PolarHBondContact O-N 3.08Å; Q225-W228 PolarHBondContact O-N 2.97Å; Q225-G229 PolarHBondContact O-N 3.45Å; Q225-G229 VanDerWaalsContact O-N 3.12Å
226Q52.6Low50.7Low132 Ų132120.1 Ų120.162%0.61763%0.629SS**Hα-helixtrans-64.9-29.5172.8-69.2-75.3-51.100112Y222Y222-Q226 HydrophobicContact CE1-CG 4.43Å; Y222-Q226 WeakPolarHBondContact O-CG 3.46Å; Y222-Q226 PolarHBondContact O-N 3.45Å
227Y47.2Very low49.1Very low191 Ų191130.1 Ų130.175%0.74967%0.666SS**Hα-helixtrans-74.2-22.5175-97.3-90.7000114.1Q223 Q224 Q225Q223-Y227 PolarHBondContact O-N 2.87Å; Q224-Y227 WeakPolarHBondContact O-CB 3.41Å; Q224-Y227 PolarHBondContact O-N 3.31Å; Q225-Y227 PolarHBondContact O-N 3.08Å
228W39.8Very low48.1Very low209 Ų209132.9 Ų132.979%0.79269%0.687SS**Hα-helixtrans-94.2-19.3176.7-82.779.6000113.9Q224 Q225 G230Q224-W228 PolarHBondContact O-N 3.21Å; Q225-W228 PolarHBondContact O-N 2.97Å; W228-G230 PolarHBondContact O-N 2.92Å
229G40Very low47Very low77 Ų77140.9 Ų140.979%0.79471%0.708SS**THydrogen-bonded Turntrans-70.6-8.7171.900000114.9Q225Q225-G229 PolarHBondContact O-N 3.45Å; Q225-G229 VanDerWaalsContact O-N 3.12Å
230G44.3Very low45.9Very low71 Ų71135.6 Ų135.673%0.73271%0.705SS**THydrogen-bonded Turntrans-104.81.7-179.100000115.7W228W228-G230 PolarHBondContact O-N 2.92Å
231R44.2Very low44.9Very low230 Ų230140.4 Ų140.487%0.86872%0.716SS**SBendtrans-12853.7-171-149.4179-170.2-171.82.7112.4
232G38.8Very low43.9Very low58 Ų58139.8 Ų139.860%0.59873%0.733SS**  trans-152.442.1-179.700000112.5
233G37.5Very low42.6Very low74 Ų74137.2 Ų137.276%0.76375%0.751SS**  trans-107.941.5179.500000113.3S235G233-S235 PolarHBondContact O-N 3.06Å; G233-S235 VanDerWaalsContact O-N 3.08Å
234Y39.8Very low41.5Very low216 Ų216134.5 Ų134.585%0.84776%0.757SS**  trans-80.651.3161.749.4-92.1000109.9S236Y234-S236 PolarHBondContact O-N 3.32Å
235S35.3Very low41Very low87 Ų87134.7 Ų134.761%0.60877%0.769SS**  trans-75.4105.8155.5-173.70000105.4G233 R237G233-S235 PolarHBondContact O-N 3.06Å; G233-S235 VanDerWaalsContact O-N 3.08Å; S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.76Å
236S46.3Very low39.8Very low113 Ų113135.1 Ų135.179%0.7978%0.775SS**  trans-3997153.9-1770000109Y234Y234-S236 PolarHBondContact O-N 3.32Å
237R38.1Very low39Very low217 Ų217136.8 Ų136.882%0.81978%0.783SS**  trans-110.183.4156.9-78-173.7-175.7170.62.6104.8S235 R239S235-R237 VanDerWaalsContact C-N 3.26Å; S235-R237 PolarHBondContact O-N 2.76Å; R237-R239 PolarHBondContact O-N 2.85Å
238S46.4Very low38.1Very low115 Ų115133.3 Ų133.380%0.80479%0.786SS**  trans-51.192.7145.6-160.40000107.8
239R38.1Very low37.5Very low230 Ų230134.4 Ų134.487%0.86879%0.791SS**  trans-139.991.1156.7-83.5-162.7-175.2174.21.6106.3R237R237-R239 PolarHBondContact O-N 2.85Å
240G36Very low37.1Very low69 Ų69135.7 Ų135.771%0.71178%0.779SS**  trans-60.6173.9156.300000111.5
241R36.4Very low36.4Very low252 Ų252140.5 Ų140.595%0.95178%0.783SS**  trans72.4117.2-174.8-66.6-177.5166.4-139.9-1.5112.7
242G33.9Very low35.8Very low75 Ų75133.2 Ų133.277%0.77378%0.78SS**  cis121.3122.437.600000105.7
243G33.7Very low35.2Very low90 Ų90142.3 Ų142.393%0.92880%0.798SS**  trans-59.7150.9179.700000112.5
244G33.2Very low34.9Very low70 Ų70142.6 Ų142.672%0.72280%0.8SS**  trans175.5115.5173.800000109.4
245P43.6Very low34.4Very low128 Ų128139.5 Ų139.583%0.83180%0.799SS**  trans-86168.7-170.334.7-33.1000112.3
246N31.5Very low34Very low134 Ų134144.5 Ų144.572%0.71781%0.806SS**  trans109.4131.8154.7-109.1-34.2000119.2
247Q35Very low33.1Very low166 Ų166149.1 Ų149.178%0.77681%0.806SS**  trans68.4107.6148.1-68.1152.640.400118.7
248S29.1Very low32.7Very low118 Ų118144.5 Ų144.583%0.82580%0.797SS**  -165117111.9-162.50000111.9
249W26.9Very low31.8Very low232 Ų232147.2 Ų147.288%0.87980%0.797SS**  trans-84135.4159.4-98.983000108.2
250N30.4Very low31.3Very low104 Ų104139.3 Ų139.356%0.55679%0.788SS**  trans79.9132.9141.7-125-30.1000122.3
251Q31.2Very low30.9Very low172 Ų172147.3 Ų147.380%0.80480%0.798SS**  trans72.6130.9141.8-90.9152.15700120.4
252G29.7Very low30.5Very low78 Ų78138.9 Ų138.980%0.80479%0.79SS**  trans156.482.9151.400000115.8
253Y26.8Very low30.3Very low248 Ų248142 Ų14297%0.97379%0.789SS**  trans-54.1142.7155-97.9-109.4000110.6
254G30.8Very low30.1Very low80 Ų80148.1 Ų148.183%0.82579%0.785SS**  trans174.1111.817000000115.9
255N29.2Very low29.9Very low152 Ų152148.5 Ų148.581%0.81379%0.789SS**  trans-67.6165.5-177.5-79.6-12.8000116.7
256Y28.8Very low29.3Very low192 Ų192150 Ų15075%0.75379%0.79SS**  trans74.8115.6134.7-99.7-118.9000121.6
257W25.6Very low29.2Very low210 Ų210154.3 Ų154.380%0.79580%0.798SS**  trans57.8145.3131.2-75.380.5000122.5
258N30Very low28.9Very low119 Ų119150 Ų15064%0.63680%0.798SS**  trans99101.2153.8-143.9-100.1000114.9
259Q28.3Very low28.9Very low172 Ų172155.6 Ų155.680%0.80480%0.803SS**  80133.982-152.6176.36200111.7
260G27.4Very low29.1Very low65 Ų65148.3 Ų148.367%0.6780%0.799SS**  trans13295.1156.300000116.4
261Y27.6Very low29.1Very low236 Ų236149.7 Ų149.793%0.92581%0.807SS**  43.6125.3128.5-85.2-97.5000120.7
262G28.9Very low29Very low75 Ų75149.4 Ų149.477%0.77381%0.805SS**  trans-69.3169.8173.300000115
263N28.7Very low28.9Very low142 Ų142149 Ų14976%0.75980%0.802SS**  trans-159.5119159.4-157.41.6000110.8
264Y30.4Very low28.9Very low218 Ų218148.6 Ų148.686%0.85580%0.8SS**  trans35.1117.2143.4-74.3-114.4000121.6
265G28.6Very low28.9Very low77 Ų77148.6 Ų148.679%0.79480%0.8SS**  49.4118.6112.700000119.8
266N29.6Very low29Very low161 Ų161144.4 Ų144.486%0.86179%0.793SS**  trans-147.3118.1149.6-159.1-66.6000110.9
267Y30.8Very low29Very low224 Ų224147 Ų14788%0.87880%0.803SS**  trans-78.9133.9169.5-95.5-102.5000109.7
268G28.8Very low29.3Very low75 Ų75140.9 Ų140.977%0.77381%0.805SS**  trans-154.6101.3171.800000113.3
269Y29.5Very low29.4Very low236 Ų236138.7 Ų138.793%0.92581%0.81SS**  trans-58.7152.7164.8-94.4-107.3000112.1
270G30Very low29.6Very low78 Ų78141.5 Ų141.580%0.80482%0.815SS**  trans164112.3159.200000115.6
271N30.1Very low29.7Very low133 Ų133146.4 Ų146.471%0.71183%0.826SS**  trans-90168.5-177.5-166.2-32.8000111.8
272Q29.3Very low29.7Very low166 Ų166145 Ų14578%0.77682%0.821SS**  trans82.9125.4157.4-95.29721.700119.7
273G27.4Very low29.8Very low71 Ų71146.9 Ų146.973%0.73282%0.822SS**  trans167.370.615800000117.9
274Y27.5Very low29.9Very low238 Ų238143.2 Ų143.293%0.93382%0.818SS**  trans45.8131.3138-92.1-97.9000123.9
275G31.2Very low29.8Very low80 Ų80143 Ų14383%0.82582%0.817SS**  trans104.8128.1144.200000114.6
276G29.9Very low29.9Very low64 Ų64145.3 Ų145.366%0.6681%0.811SS**  cis158.21397.200000108.2
277Y28.6Very low29.9Very low247 Ų247143.7 Ų143.797%0.96980%0.802SS**  trans49.8112.1157.7-65.4-93.2000118.3
278G32.8Very low29.7Very low82 Ų82141.4 Ų141.485%0.84579%0.793SS**  129.4157.675.700000106.6
279G32Very low29.7Very low72 Ų72147 Ų14774%0.74279%0.792SS**  cis-174147.1100000104.1
280Y31.9Very low29.7Very low231 Ų231139.5 Ų139.591%0.90679%0.788SS**  trans-62.5148.1179.4-65.6-100.1000111.3
281D29.8Very low29.5Very low169 Ų169146.2 Ų146.290%0.90479%0.79SS**  trans-151.8143.4136.8-118.1-48.4000113
282Y28.8Very low29.4Very low206 Ų206144.6 Ų144.681%0.80879%0.785SS**  trans-122.4165.6-167.5-165.7-92.7000108.3
283S31Very low29.3Very low115 Ų115143.9 Ų143.980%0.80479%0.787SS**  trans77.8142.7175.6-67.80000116.4
284G29.6Very low29.4Very low65 Ų65150.3 Ų150.367%0.6779%0.791SS**  cis167.2154.73.300000111.4
285Y29Very low29.5Very low212 Ų212145 Ų14583%0.83178%0.778SS**  trans64.8133.3142.4-98.3-84.3000124.7
286N29.8Very low29.4Very low126 Ų126147.9 Ų147.967%0.67478%0.775SS**  trans71.7150.7147.1-87.1-26.3000118.8
287N29.3Very low29.5Very low127 Ų127151.6 Ų151.668%0.67978%0.775SS**  cis179.1163.5-22.4-154.2-39.8000105.1
288Y27.2Very low29.5Very low176 Ų176144.9 Ų144.969%0.6976%0.764SS**  trans93.4110.4140.5-130.7-100.2000121.3
289Y28.4Very low29.5Very low192 Ų192144.9 Ų144.975%0.75376%0.764SS**  trans35.8138.5139-68.9-107.6000122
290G29.3Very low29.4Very low80 Ų80144.4 Ų144.483%0.82576%0.759SS**  trans177.5102.115400000113.6
291Y27.4Very low29.4Very low218 Ų218144.6 Ų144.686%0.85576%0.76SS**  trans-71.7151175.1-123.4-103.3000111.7
292T27.8Very low29.5Very low99 Ų99140.1 Ų140.161%0.60775%0.753SS**  trans40.9134.1150.440.80000120.8
293D27.4Very low29.7Very low152 Ų152140.5 Ų140.581%0.81376%0.759SS**  -176.2161.2102.5-99.2-50000115.9
294Y27.9Very low30Very low206 Ų206140.7 Ų140.781%0.80876%0.761SS**  trans-60.3141.3-167.8-104.4-119.8000119
295N31.2Very low31.1Very low125 Ų125143.1 Ų143.167%0.66877%0.765SS**  24.9118.6123.3-161.3-5.6000120.8
296N29.4Very low31.3Very low142 Ų142144.3 Ų144.376%0.75977%0.767SS**  trans-170.9148.4143.1-125.5-100.1000107
297Q31.2Very low31.6Very low142 Ų142149.4 Ų149.466%0.66478%0.777SS**  cis172.2141.2-12.2169.890.751.700103.4
298S29Very low31.8Very low105 Ų105147 Ų14773%0.73478%0.782SS**  trans26.8138.6151.8-53.30000123.1
299G31.9Very low32.1Very low83 Ų83142.3 Ų142.386%0.85679%0.787SS**  trans142119.813800000110.5
300G29.7Very low32.6Very low61 Ų61141.9 Ų141.963%0.62979%0.792SS**  cis163.6171.99.200000108.3
301Y32.4Very low33Very low236 Ų236144.5 Ų144.593%0.92579%0.792SS**  trans80.3101.7162.7-60.1-80.2000118.7
302G31.3Very low33.9Very low74 Ų74142.1 Ų142.176%0.76379%0.794SS**  trans-76.7170.716800000114.4
303K34.2Very low34.3Very low214 Ų214143.1 Ų143.193%0.9381%0.805SS**  trans-166.4120146-102.2169.3-172.3-177.10108.1
304S35.5Very low34.8Very low120 Ų120146.7 Ų146.784%0.83981%0.809SS**  trans-129.9171.2163.4-75.60000106.1
305P53.8Low35.7Very low116 Ų116145.8 Ų145.875%0.75381%0.809SS**  cis-130.8155.1-30.833.2-17.9000111.1
306R32.7Very low37.3Very low236 Ų236145.1 Ų145.189%0.89181%0.812SS**  trans-154.9124.1155.6-81.3-157.3176.2173.1-1.9112.8
307R36.6Very low38.2Very low234 Ų234152.9 Ų152.988%0.88383%0.833SS**  trans72.4118.7132.2-150.7175.9-163.9-179.94.1116.3
308G33.5Very low38.6Very low76 Ų76153.5 Ų153.578%0.78484%0.841SS**  cis98.899.923.200000110.7
309G33.3Very low39.1Very low77 Ų77156 Ų15679%0.79485%0.847SS**  trans-171103.1174.100000112.2
310H38.7Very low39.5Very low183 Ų183160.1 Ų160.185%0.84785%0.846SS**  trans-81.3163.8-178.5-61.2-52.2000113.2
311T38.3Very low40Very low135 Ų135165.9 Ų165.983%0.82886%0.859SS**  176.5131.6106.238.20000112.9
312N46.2Very low40.5Very low168 Ų168161.5 Ų161.590%0.89886%0.855SS**  trans-81.5139.9157.4-109.3-6.2000108.9
313S36.7Very low41.1Very low121 Ų121167.3 Ų167.385%0.84686%0.861SS**  trans-152.8122.9161.7-72.90000110.9
314Y36.6Very low41.6Very low227 Ų227164 Ų16489%0.8986%0.856SS**  trans-130.5128164.4-164.5-86.3000109
315K46.8Very low42.1Very low186 Ų186167.4 Ų167.481%0.80986%0.857SS**  trans161.9154.7153.3-99.2175.2-177.9-174.50109.2
316P64.6Low41.1Very low111 Ų111171.7 Ų171.772%0.72187%0.866SS**  -144.4173.251.928.3-3.1000117.8
317Y49.3Very low41.9Very low306 Ų306165.8 Ų165.8100%1.286%0.864SS**  trans320153.8-78.7-83.7000119.7

Retrieved 317 of 317 residues in 82.8 ms (Link to these results)