X6RAY8_HUMAN Loading...

Large ribosomal subunit protein uL4m

AlphaFold DB , UniProt , Accession X6RAY8, Species HUMAN (Homo sapiens, Human), Gene MRPL4, Length 357 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M35.6Very low32.9Very low234 Ų234157 Ų157100%1.15385%0.852SS**  0119.10-93.6-178.4-17300108.1
2L36.6Very low32.9Very low157 Ų157162.8 Ų162.882%0.82285%0.852SS**  trans56.1106.1168.5-64.6120.6000116.4
3Q34.8Very low32.9Very low176 Ų176163.7 Ų163.782%0.82286%0.857SS**  53.3119.950-75.2-157.6-5.300116.7
4F29Very low32.9Very low178 Ų178167.5 Ų167.578%0.78185%0.854SS**  trans147.6105.3142.1-92.2-78000108.3
5V31.8Very low33Very low118 Ų118164.7 Ų164.772%0.71585%0.852SS**  50.5108.860.3-177.30000112.9
6R32Very low33.2Very low237 Ų237162.9 Ų162.989%0.89485%0.851SS**  176.5140.6101.3-130.7158.3-177.6-168.2-0.2113.7
7A34Very low33.1Very low103 Ų103157.7 Ų157.785%0.85185%0.846SS**  trans-74.4164.216600000112.5
8G30Very low33.2Very low78 Ų78154.9 Ų154.980%0.80484%0.841SS**  trans-1759416700000113.6
9A34.6Very low33.3Very low102 Ų102157.3 Ų157.384%0.84385%0.846SS**  trans-70.2146.8162.600000110.8
10R31.6Very low33.8Very low258 Ų258152.9 Ų152.997%0.97484%0.839SS**  trans-155.4147.2157.3-110.4174.1-177.2-173.4-0.6111.6
11A32.3Very low34Very low86 Ų86152.1 Ų152.171%0.71183%0.833SS**  trans-93.1154.5-158.200000114.6
12W32.5Very low34.2Very low226 Ų226146.3 Ų146.386%0.85682%0.815SS**  trans23.4120142.5-66.689.3000120.6
13L33.4Very low34.5Very low175 Ų175143 Ų14392%0.91681%0.805SS**  trans-142.3122.8141.3-86.5167.4000109.7
14R32Very low34.8Very low217 Ų217140.6 Ų140.682%0.81980%0.798SS**  trans-76149.1168.5-98.3179.3166.9179-3.4109.9
15P34.9Very low35.1Very low125 Ų125135.5 Ų135.581%0.81279%0.788SS**  trans-108139.1146.318.3-0.4000111.4
16T36.6Very low35.5Very low137 Ų137137.2 Ų137.284%0.8479%0.788SS**  trans-89.8147.5175.741.80000111.7
17G31.8Very low35.8Very low74 Ų74134.1 Ų134.176%0.76378%0.784SS**  trans93.7145.816300000113.7
18S33.8Very low36Very low108 Ų108133.4 Ų133.476%0.75578%0.778SS**  cis-172.1138.2-4.544.70000106.7
19Q36.1Very low36.4Very low200 Ų200132.8 Ų132.894%0.93577%0.766SS**  trans57.1129.1145.5-60.5-171.1-2.900121.1
20G43Very low36.5Very low69 Ų69139.2 Ų139.271%0.71177%0.768SS**  trans114.2124.3158.200000112.1
21L37.9Very low36.7Very low136 Ų136131.3 Ų131.371%0.71276%0.758SS**  trans120.731.1171.5-61175.5000115.5S23 L24L21-S23 PolarHBondContact O-N 3.48Å; L21-L24 HydrophobicContact CD2-CD1 4.3Å
22S40.3Very low37Very low112 Ų112133.5 Ų133.578%0.78376%0.763SS**THydrogen-bonded Turntrans-86.335.4165.860.40000113.4
23S43.1Very low37.1Very low88 Ų88131.2 Ų131.262%0.61576%0.762SS**THydrogen-bonded Turntrans-133.90.7173.762.40000114.3L21L21-S23 PolarHBondContact O-N 3.48Å
24L40.3Very low37.1Very low126 Ų126129.2 Ų129.266%0.6675%0.752SS**SBendtrans-109.8-7.7172.4-74.5171.4000113.1L21L21-L24 HydrophobicContact CD2-CD1 4.3Å
25A35.8Very low37.4Very low70 Ų70125.4 Ų125.458%0.57976%0.755SS**SBendtrans-89.9-18.4177.400000113.4
26E39.4Very low37.9Very low155 Ų155127 Ų12772%0.72475%0.752SS**SBendtrans-85.6-14.7178.9-104.3168.6156.900113.6
27E38.8Very low38Very low171 Ų171129.2 Ų129.280%0.79975%0.753SS**SBendtrans-96-11.3178.4-151135.5-156.500112.9
28A37.5Very low38.3Very low88 Ų88132.8 Ų132.873%0.72776%0.759SS**SBendtrans-89.1-6170.300000113.4
29A37.9Very low38.4Very low66 Ų66131 Ų13155%0.54575%0.751SS.*SBendtrans-107.810.2-172.300000114.7
30R37.3Very low38.8Very low236 Ų236126.6 Ų126.689%0.89174%0.742SS**SBendtrans-120.624.4180-86.1-174.9178.3164.42.4115.4
31A35.8Very low38.8Very low93 Ų93132.5 Ų132.577%0.76975%0.751SS**  trans-122.732.1170.800000113
32T39Very low39.2Very low131 Ų131128.6 Ų128.680%0.80474%0.744SS**  trans-106.27416339.20000108.6
33E34.6Very low39.8Very low179 Ų179131 Ų13184%0.83675%0.747SS**  trans-73124.2159.9-69.3-176.2163.200108.4
34N32.8Very low41Very low132 Ų132132.4 Ų132.471%0.70675%0.754SS**  trans55.997.3158.9-70.6-19000120E36N34-E36 PolarHBondContact O-N 2.95Å; N34-E36 VanDerWaalsContact O-N 3.17Å
35P39.1Very low42.8Very low137 Ų137134.8 Ų134.889%0.8976%0.762SS**SBendtrans-84.156.2151.137.6-30.1000109.8
36E45.1Very low45.2Very low158 Ų158135.5 Ų135.574%0.73876%0.76SS**  trans-137.482.7168.4-92.1-170.4163.500107.6N34N34-E36 PolarHBondContact O-N 2.95Å; N34-E36 VanDerWaalsContact O-N 3.17Å
37Q38.2Very low47.5Very low185 Ų185131.1 Ų131.186%0.86474%0.744SS**  trans170.255.4151.4-91.8163.530.900109.4A39Q37-A39 PolarHBondContact O-N 3.05Å; Q37-A39 VanDerWaalsContact O-N 3.15Å
38V39Very low50Low149 Ų149128.8 Ų128.890%0.90374%0.737SS**  trans-81.472.9140.6-171.80000104.3S40V38-S40 PolarHBondContact O-N 3.41Å; V38-S40 VanDerWaalsContact O-N 3.15Å
39A35.4Very low52.5Low70 Ų70128.8 Ų128.858%0.57972%0.718SS**  trans-51.8124163.600000105.1Q37 E41Q37-A39 PolarHBondContact O-N 3.05Å; Q37-A39 VanDerWaalsContact O-N 3.15Å; A39-E41 PolarHBondContact O-N 2.74Å
40S43.8Very low55.1Low107 Ų107133.6 Ų133.675%0.74873%0.726SS**  trans-30.5107.7167.450.50000110V38 G42V38-S40 PolarHBondContact O-N 3.41Å; V38-S40 VanDerWaalsContact O-N 3.15Å; S40-G42 PolarHBondContact O-N 3.05Å
41E44.3Very low57.7Low194 Ų194124.2 Ų124.291%0.90770%0.695SS**  trans-64.482.9153.6-74.2-162167.700104.6A39 L43A39-E41 PolarHBondContact O-N 2.74Å; E41-L43 PolarHBondContact O-N 2.85Å
42G45.6Very low60.4Low54 Ų54126.6 Ų126.656%0.55769%0.69SS**  trans-54134171.500000106.4S40 P44S40-G42 PolarHBondContact O-N 3.05Å; G42-P44 VanDerWaalsContact O-N 3.15Å
43L52.1Low63Low163 Ų163126 Ų12685%0.85368%0.682SS**  trans-42127.3166-75.6155.3000107.7E41 E45E41-L43 PolarHBondContact O-N 2.85Å; L43-E45 PolarHBondContact O-N 3.45Å
44P68.4Low65.8Low116 Ų116123.1 Ų123.175%0.75368%0.679SS**PPolyproline II helixtrans-54129.9-17721.1-32.1000108.8G42G42-P44 VanDerWaalsContact O-N 3.15Å
45E78.6Confident68.7Low176 Ų176119.1 Ų119.182%0.82266%0.659SS**PPolyproline II helixtrans-58.1126.3-177.8-69.5-174.5168.100109.4L43 V47L43-E45 PolarHBondContact O-N 3.45Å; E45-V47 PolarHBondContact O-N 3.4Å
46P86.2Confident71.3Confident85 Ų85114.3 Ų114.355%0.55263%0.628SS**PPolyproline II helixtrans-65.6131.4-177.625.7-33.2000109.8L48P46-L48 PolarHBondContact O-N 3.02Å
47V88.3Confident73.7Confident64 Ų64114.2 Ų114.239%0.38864%0.638SS.*EExtended strand (participates in β ladder)trans-74.797.9177.9-1780000108.8E45 V77 G78 L79E45-V47 PolarHBondContact O-N 3.4Å; V47-V77 HydrophobicContact CG2-CG1 4.23Å; V47-V77 PolarHBondContact N-O 2.71Å; V47-G78 CarbonylContact O-C 3.56Å; V47-G78 VanDerWaalsContact O-CA 3.24Å; V47-G78 WeakPolarHBondContact O-CA 3.47Å; V47-L79 PolarHBondContact O-N 2.97Å
48L91.7Very high76.4Confident122 Ų122113.2 Ų113.264%0.63963%0.633SS**EExtended strand (participates in β ladder)trans-99119177.7-61.4-178.8000110.6P46 L79P46-L48 PolarHBondContact O-N 3.02Å; L48-L79 WeakPolarHBondContact CA-O 3.37Å; L48-L79 HydrophobicContact CD2-CB 4.02Å
49R89.4Confident79Confident88 Ų88110 Ų11033%0.33260%0.604SS.*EExtended strand (participates in β ladder)trans-111.5123.2174.6-165.2-173.3-179.1-1674.4111.3E52 L79 A80 D81R49-E52 IonicContact CZ-OE1 2.85Å; R49-E52 IonicContact NE-OE1 3.87Å; R49-E52 IonicContact NH2-OE1 3.83Å; R49-E52 PolarHBondContact NH2-OE1 3.06Å; R49-L79 PolarHBondContact N-O 3.32Å; R49-A80 HydrophobicContact CB-CB 4.14Å; R49-D81 PolarHBondContact O-N 3.34Å
50K92.5Very high81.9Confident166 Ų166117.2 Ų117.272%0.72262%0.617SS**  trans-93.5156.3172.9-63.4-177.7-178.7177.30111.1E52K50-E52 PolarHBondContact O-N 3.25Å
51V92.8Very high84.3Confident40 Ų40114.5 Ų114.524%0.24260%0.597CS.*  trans-70.7124.4173.2-173.90000109.7L53 V55 P61 D81 H83V51-L53 HydrophobicContact CG1-CB 4.49Å; V51-L53 WeakPolarHBondContact CG1-O 3.36Å; V51-V55 HydrophobicContact CB-CG2 4.24Å; V51-V55 HydrophobicContact CG1-CG2 3.91Å; V51-P61 HydrophobicContact CG2-CB 3.99Å; V51-D81 HydrophobicContact CG2-CB 3.81Å; V51-D81 WeakPolarHBondContact CG2-O 3.47Å; V51-H83 HydrophobicContact CG1-CB 4.15Å
52E92.1Very high86.7Confident142 Ų142107.4 Ų107.466%0.66457%0.567SS**  trans-78-32.8179-66.5160.5-142.500112.6R49 K50R49-E52 IonicContact CZ-OE1 2.85Å; R49-E52 IonicContact NE-OE1 3.87Å; R49-E52 IonicContact NH2-OE1 3.83Å; R49-E52 PolarHBondContact NH2-OE1 3.06Å; K50-E52 PolarHBondContact O-N 3.25Å
53L92.2Very high89.1Confident120 Ų120110.6 Ų110.663%0.62857%0.567SS**SBendtrans-84149-178.2-64.9176.7000111.8V51 V55V51-L53 HydrophobicContact CG1-CB 4.49Å; V51-L53 WeakPolarHBondContact CG1-O 3.36Å; L53-V55 PolarHBondContact O-N 3.33Å
54P94.1Very high91.1Very high118 Ų118103.4 Ų103.477%0.76653%0.531SS*.PPolyproline II helixtrans-64.7123.5178.326.9-34.2000110.8
55V94.1Very high92.4Very high47 Ų47104.4 Ų104.429%0.28552%0.52SS..PPolyproline II helixtrans-88140.9177.2-1790000109.7V51 L53 R59 P84V51-V55 HydrophobicContact CB-CG2 4.24Å; V51-V55 HydrophobicContact CG1-CG2 3.91Å; L53-V55 PolarHBondContact O-N 3.33Å; V55-R59 WeakPolarHBondContact CG1-O 3.38Å; V55-P84 HydrophobicContact CG1-CG 3.68Å
56P93.7Very high93.1Very high37 Ų3796.3 Ų96.324%0.2448%0.483CS..PPolyproline II helixtrans-58.9138.1175.5-23.433.1000112.7H58 R59P56-H58 PolarHBondContact O-N 3.11Å; P56-R59 HydrophobicContact CB-CG 4.44Å; P56-R59 PolarHBondContact O-N 2.87Å
57T95.1Very high93.4Very high155 Ų15593.2 Ų93.295%0.95146%0.461SS*.THydrogen-bonded Turntrans-55.6-32.1-173.9-43.20000114.5
58H94.9Very high93.6Very high164 Ų16490.3 Ų90.376%0.75944%0.443SS*.THydrogen-bonded Turntrans-87-6.1-177.965.9-82.6000113.7P56P56-H58 PolarHBondContact O-N 3.11Å
59R94.9Very high93.6Very high81 Ų8184.5 Ų84.531%0.30641%0.413SS..  trans-118.9140.6-178.8-53.8-164.673.6-169.12.4110.4V55 P56 P84 D85 A88V55-R59 WeakPolarHBondContact CG1-O 3.38Å; P56-R59 HydrophobicContact CB-CG 4.44Å; P56-R59 PolarHBondContact O-N 2.87Å; R59-P84 HydrophobicContact CB-CB 4.31Å; R59-P84 HydrophobicContact CB-CG 3.94Å; R59-P84 PolarHBondContact NH1-O 3.27Å; R59-D85 IonicContact CZ-OD1 2.99Å; R59-D85 IonicContact NH1-OD1 3.11Å; R59-D85 PolarHBondContact NH1-OD1 2.9Å; R59-A88 PolarHBondContact NH2-O 3Å
60R94.3Very high93.6Very high222 Ų22285.5 Ų85.584%0.83842%0.417SS*.PPolyproline II helixtrans-97.4149.5171.3-65-177.4-177.1176.30.5109.9
61P95.2Very high93.4Very high50 Ų5078.2 Ų78.233%0.32539%0.389SS..PPolyproline II helixtrans-63.8154.5172.429-34.7000111.1V51 D81 L82V51-P61 HydrophobicContact CG2-CB 3.99Å; P61-D81 HydrophobicContact CB-CB 4.2Å; P61-D81 HydrophobicContact CG-CB 4.44Å; P61-L82 WeakPolarHBondContact CA-O 3.3Å; P61-L82 VanDerWaalsContact CB-O 3.3Å; P61-L82 WeakPolarHBondContact CB-O 3.35Å
62V95.3Very high93.2Very high46 Ų4679.8 Ų79.828%0.27939%0.393SS..EExtended strand (participates in β ladder)trans-94.5143174.3179.60000108.7L82 A88 L182V62-L82 PolarHBondContact N-O 2.91Å; V62-L82 WeakPolarHBondContact O-CA 3.32Å; V62-L82 VanDerWaalsContact O-CB 3.32Å; V62-L82 WeakPolarHBondContact O-CB 3.45Å; V62-L82 PolarHBondContact O-N 2.99Å; V62-A88 HydrophobicContact CG2-CB 3.69Å; V62-L182 HydrophobicContact CG1-CD2 3.83Å
63Q94.9Very high93Very high120 Ų12080.7 Ų80.756%0.56140%0.397SS*.EExtended strand (participates in β ladder)trans-102.7145.8-178.9-63.9-172.4-29.800110.6L79 A80 D81Q63-L79 HydrophobicContact CB-CD2 3.95Å; Q63-L79 HydrophobicContact CG-CD2 3.87Å; Q63-A80 WeakPolarHBondContact CA-O 3.38Å; Q63-D81 WeakPolarHBondContact CG-OD1 3.25Å; Q63-D81 PolarHBondContact NE2-OD1 2.89Å
64A94.5Very high92.7Very high13 Ų1379.8 Ų79.811%0.10739%0.389CS..EExtended strand (participates in β ladder)trans-141.4148172.700000110.2A80 L82 L182 I189A64-A80 PolarHBondContact N-O 3.12Å; A64-A80 PolarHBondContact O-N 3.2Å; A64-L82 HydrophobicContact CB-CD1 3.83Å; A64-L82 HydrophobicContact CB-CG 4.46Å; A64-L182 HydrophobicContact CB-CD1 4.39Å; A64-I189 HydrophobicContact CB-CD1 3.58Å; A64-I189 HydrophobicContact CB-CG1 4.42Å
65W95.1Very high92.2Very high137 Ų13777.4 Ų77.452%0.51937%0.368SS..EExtended strand (participates in β ladder)trans-69.4140.7176.5-65109.5000110.7R76W65-R76 HydrophobicContact CD2-CG 4.25Å; W65-R76 HydrophobicContact CE3-CB 4.17Å; W65-R76 HydrophobicContact CE3-CG 4.12Å; W65-R76 HydrophobicContact CZ3-CB 4.43Å
66V94.4Very high92Very high6 Ų683.7 Ų83.74%0.03639%0.387CS..EExtended strand (participates in β ladder)trans-100.2120.1169.3-176.10000107.6V77 G78 A80 I189 D191V66-V77 PolarHBondContact O-N 3.31Å; V66-G78 PolarHBondContact N-O 3.05Å; V66-G78 PolarHBondContact O-N 2.83Å; V66-G78 VanDerWaalsContact O-N 3.12Å; V66-A80 HydrophobicContact CG2-CB 3.68Å; V66-I189 WeakPolarHBondContact CA-O 3.43Å; V66-I189 HydrophobicContact CG2-CG2 4.12Å; V66-D191 HydrophobicContact CG1-CB 3.98Å
67E92.9Very high91.8Very high19 Ų1984 Ų849%0.08939%0.388CS..EExtended strand (participates in β ladder)trans-106.8167.7177.1-25.3-175.9-179.500110.5E75 H188 I189 M190 D191 R210 W212E67-E75 VanDerWaalsContact CA-O 3.24Å; E67-E75 WeakPolarHBondContact CA-O 3.28Å; E67-E75 WeakPolarHBondContact CB-O 3.47Å; E67-E75 WeakPolarHBondContact CG-O 3.41Å; E67-H188 IonicContact OE1-CE1 3.4Å; E67-H188 IonicContact OE1-CG 2.84Å; E67-H188 IonicContact OE1-ND1 3.81Å; E67-H188 PolarHBondContact OE1-ND1 2.92Å; E67-I189 PolarHBondContact N-O 2.58Å; E67-M190 HydrophobicContact CB-CE 3.54Å; E67-M190 HydrophobicContact CB-SD 3.82Å; E67-M190 HydrophobicContact CG-CE 3.62Å; E67-M190 WeakPolarHBondContact O-CA 3.46Å; E67-M190 WeakPolarHBondContact OE2-CE 3.32Å; E67-D191 PolarHBondContact O-N 3.38Å; E67-R210 IonicContact OE2-CZ 3.6Å; E67-R210 IonicContact OE2-NH1 3.81Å; E67-R210 PolarHBondContact OE2-NH1 3.11Å; E67-W212 WeakPolarHBondContact OE2-CZ2 3.34Å
68S91.7Very high91.7Very high3 Ų376.9 Ų76.92%0.02135%0.345CS..  trans-125.5152172.6-165.90000111.1Q74 D191 R210S68-Q74 PolarHBondContact N-O 3.24Å; S68-D191 PolarHBondContact OG-OD1 3.26Å; S68-D191 VanDerWaalsContact OG-OD1 3.09Å; S68-R210 PolarHBondContact O-NH1 3.34Å; S68-R210 VanDerWaalsContact O-NH1 3.12Å; S68-R210 PolarHBondContact O-NH2 2.97Å
69L90.6Very high91.7Very high0 Ų071.1 Ų71.10%032%0.32CS..SBendtrans-91.40.7177.6-59.8-175.2000113.8M190 L193 L195 Y202 L206 W212L69-M190 HydrophobicContact CD2-SD 3.76Å; L69-M190 HydrophobicContact CG-SD 4.1Å; L69-L193 HydrophobicContact CD1-CB 4.46Å; L69-L193 HydrophobicContact CD1-CD2 3.73Å; L69-L195 HydrophobicContact CB-CD2 3.8Å; L69-L195 HydrophobicContact CD1-CD2 4.12Å; L69-Y202 PolarHBondContact O-OH 2.73Å; L69-L206 HydrophobicContact CD2-CD2 4.16Å; L69-W212 HydrophobicContact CD2-CH2 3.53Å; L69-W212 HydrophobicContact CD2-CZ3 4.12Å
70R89.6Confident91.7Very high109 Ų10967.3 Ų67.341%0.41131%0.306SS..SBendtrans-72.9-28.3-173.9-64.4-178.7-168.3-94.3-5.3113.9E194 P196 Y202R70-E194 IonicContact CZ-OE2 2.88Å; R70-E194 IonicContact NH1-OE2 3.15Å; R70-E194 PolarHBondContact NH1-OE2 3.43Å; R70-E194 VanDerWaalsContact NH2-CD 3.34Å; R70-E194 IonicContact NH2-OE1 3.54Å; R70-E194 IonicContact NH2-OE2 2.8Å; R70-E194 PolarHBondContact NH2-OE2 3.14Å; R70-P196 WeakPolarHBondContact O-CG 3.21Å; R70-Y202 PolarHBondContact O-OH 3.46Å
71G88.9Confident91.7Very high14 Ų1458.8 Ų58.814%0.14428%0.277CS..  trans-143.2153.7-177.600000112.1E73 R210G71-E73 PolarHBondContact O-N 2.91Å; G71-R210 PolarHBondContact O-NH2 3.08Å
72F88.6Confident91.7Very high72 Ų7257 Ų5732%0.31627%0.265SS..SBendtrans-62-45.6-179-66.9-81000112.1Y202 E205 L206 Y209 R210F72-Y202 HydrophobicContact CD2-CE2 4.22Å; F72-Y202 HydrophobicContact CE1-CD2 4.33Å; F72-Y202 HydrophobicContact CE1-CE2 4.1Å; F72-Y202 AromaticContact CE2-CD2 3.98Å; F72-Y202 HydrophobicContact CE2-CD2 3.98Å; F72-Y202 AromaticContact CE2-CE2 3.43Å; F72-Y202 HydrophobicContact CE2-CE2 3.43Å; F72-Y202 VanDerWaalsContact CE2-CE2 3.43Å; F72-Y202 AromaticContact CZ-CD2 3.53Å; F72-Y202 HydrophobicContact CZ-CD2 3.53Å; F72-Y202 AromaticContact CZ-CE2 3.36Å; F72-Y202 HydrophobicContact CZ-CE2 3.36Å; F72-E205 HydrophobicContact CE1-CB 4.16Å; F72-L206 HydrophobicContact CD1-CB 4.13Å; F72-L206 HydrophobicContact CD1-CG 4.49Å; F72-L206 HydrophobicContact CE1-CB 4.03Å; F72-Y209 HydrophobicContact CB-CD1 4.46Å; F72-R210 PolarHBondContact O-NE 3.4Å
73E87.8Confident91.7Very high162 Ų16256.3 Ų56.376%0.75726%0.258SS*.SBendtrans-86.2-7.5-173.3-57.7179.417000113.8G71 E75G71-E73 PolarHBondContact O-N 2.91Å; E73-E75 PolarHBondContact O-N 3.13Å
74Q86.3Confident91.8Very high100 Ų10050.7 Ų50.747%0.46723%0.232SC..  trans-81.265.4-176.5-66.5-176.38.800112.1S68 V77 R210S68-Q74 PolarHBondContact N-O 3.24Å; Q74-V77 HydrophobicContact CB-CG2 4.26Å; Q74-R210 PolarHBondContact O-NH2 3.25Å
75E84.4Confident91.8Very high69 Ų6952.5 Ų52.532%0.32224%0.24SC..  trans-85.4-38.6-179-66.7-177.1-176.100113.2E67 E73E67-E75 VanDerWaalsContact CA-O 3.24Å; E67-E75 WeakPolarHBondContact CA-O 3.28Å; E67-E75 WeakPolarHBondContact CB-O 3.47Å; E67-E75 WeakPolarHBondContact CG-O 3.41Å; E73-E75 PolarHBondContact O-N 3.13Å
76R88.7Confident91.7Very high179 Ų17948 Ų4868%0.67523%0.227SC*.  trans-116.668.3-171.1-59.6-178.6-169.1175.62.2111.3W65W65-R76 HydrophobicContact CD2-CG 4.25Å; W65-R76 HydrophobicContact CE3-CB 4.17Å; W65-R76 HydrophobicContact CE3-CG 4.12Å; W65-R76 HydrophobicContact CZ3-CB 4.43Å
77V90.7Very high91.7Very high43 Ų4349.6 Ų49.626%0.26123%0.234SC..SBendtrans-79.5-28-179.3-176.80000111.3V47 V66 Q74V47-V77 HydrophobicContact CG2-CG1 4.23Å; V47-V77 PolarHBondContact N-O 2.71Å; V66-V77 PolarHBondContact O-N 3.31Å; Q74-V77 HydrophobicContact CB-CG2 4.26Å
78G92.2Very high91.8Very high6 Ų649.9 Ų49.96%0.06224%0.24CC..EExtended strand (participates in β ladder)trans-167.5-172.2-178.900000114.4V47 V66V47-G78 CarbonylContact O-C 3.56Å; V47-G78 VanDerWaalsContact O-CA 3.24Å; V47-G78 WeakPolarHBondContact O-CA 3.47Å; V66-G78 PolarHBondContact N-O 3.05Å; V66-G78 PolarHBondContact O-N 2.83Å; V66-G78 VanDerWaalsContact O-N 3.12Å
79L93.9Very high92Very high43 Ų4351.1 Ų51.123%0.22525%0.247CC..EExtended strand (participates in β ladder)trans-135.3128.8-179.1-166.3156.3000109.6V47 L48 R49 Q63V47-L79 PolarHBondContact O-N 2.97Å; L48-L79 WeakPolarHBondContact CA-O 3.37Å; L48-L79 HydrophobicContact CD2-CB 4.02Å; R49-L79 PolarHBondContact N-O 3.32Å; Q63-L79 HydrophobicContact CB-CD2 3.95Å; Q63-L79 HydrophobicContact CG-CD2 3.87Å
80A95Very high92.1Very high1 Ų154.3 Ų54.31%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-114.6127178.600000111.3R49 Q63 A64 V66 I189R49-A80 HydrophobicContact CB-CB 4.14Å; Q63-A80 WeakPolarHBondContact CA-O 3.38Å; A64-A80 PolarHBondContact N-O 3.12Å; A64-A80 PolarHBondContact O-N 3.2Å; V66-A80 HydrophobicContact CG2-CB 3.68Å; A80-I189 HydrophobicContact CB-CD1 4.44Å
81D95.4Very high92.3Very high42 Ų4253.6 Ų53.623%0.22528%0.283CS..EExtended strand (participates in β ladder)trans-81.1128.2168.1-64.4-33000109.7R49 V51 P61 Q63R49-D81 PolarHBondContact O-N 3.34Å; V51-D81 HydrophobicContact CG2-CB 3.81Å; V51-D81 WeakPolarHBondContact CG2-O 3.47Å; P61-D81 HydrophobicContact CB-CB 4.2Å; P61-D81 HydrophobicContact CG-CB 4.44Å; Q63-D81 WeakPolarHBondContact CG-OD1 3.25Å; Q63-D81 PolarHBondContact NE2-OD1 2.89Å
82L94.5Very high92.6Very high14 Ų1458.4 Ų58.47%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-111.6141.4-177.3-59.4179.2000111.2P61 V62 A64 F87 L182 I189P61-L82 WeakPolarHBondContact CA-O 3.3Å; P61-L82 VanDerWaalsContact CB-O 3.3Å; P61-L82 WeakPolarHBondContact CB-O 3.35Å; V62-L82 PolarHBondContact N-O 2.91Å; V62-L82 WeakPolarHBondContact O-CA 3.32Å; V62-L82 VanDerWaalsContact O-CB 3.32Å; V62-L82 WeakPolarHBondContact O-CB 3.45Å; V62-L82 PolarHBondContact O-N 2.99Å; A64-L82 HydrophobicContact CB-CD1 3.83Å; A64-L82 HydrophobicContact CB-CG 4.46Å; L82-F87 HydrophobicContact CB-CB 4.21Å; L82-F87 HydrophobicContact CB-CD2 3.69Å; L82-F87 HydrophobicContact CB-CE2 4.27Å; L82-F87 HydrophobicContact CB-CG 4.04Å; L82-F87 HydrophobicContact CD1-CB 4.28Å; L82-F87 HydrophobicContact CD1-CD1 4.03Å; L82-F87 HydrophobicContact CD1-CD2 4.2Å; L82-F87 HydrophobicContact CD1-CE1 4.4Å; L82-F87 HydrophobicContact CD1-CG 3.91Å; L82-F87 HydrophobicContact CD2-CD2 4.27Å; L82-F87 HydrophobicContact CD2-CE2 4.02Å; L82-F87 HydrophobicContact CD2-CZ 4.31Å; L82-F87 HydrophobicContact CG-CD2 4.29Å; L82-F87 HydrophobicContact CG-CG 4.48Å; L82-L182 HydrophobicContact CD1-CD2 3.97Å; L82-I189 HydrophobicContact CD1-CD1 3.95Å; L82-I189 HydrophobicContact CD2-CD1 3.77Å; L82-I189 HydrophobicContact CG-CD1 4.25Å
83H96.2Very high92.8Very high31 Ų3160.6 Ų60.614%0.14431%0.311CS..  trans-67.1126.7-179.8-168.1-77.8000111.7V51 D85 V86 F87V51-H83 HydrophobicContact CG1-CB 4.15Å; H83-D85 VanDerWaalsContact C-N 3.35Å; H83-D85 IonicContact CE1-OD2 3.81Å; H83-D85 PolarHBondContact CE1-OD2 3.15Å; H83-D85 PolarHBondContact ND1-N 3.35Å; H83-D85 VanDerWaalsContact ND1-N 3.13Å; H83-D85 PolarHBondContact O-N 3.19Å; H83-V86 HydrophobicContact CB-CG2 4.5Å; H83-V86 PolarHBondContact O-N 3.43Å; H83-V86 VanDerWaalsContact O-N 3.14Å; H83-F87 PolarHBondContact O-N 3.17Å; H83-F87 VanDerWaalsContact O-N 3.11Å
84P95.4Very high93.2Very high1 Ų156.3 Ų56.31%0.00629%0.294CS..Hα-helixtrans-68.4-29.4-171.626-32.8000113.4V55 R59 V86 A88V55-P84 HydrophobicContact CG1-CG 3.68Å; R59-P84 HydrophobicContact CB-CB 4.31Å; R59-P84 HydrophobicContact CB-CG 3.94Å; R59-P84 PolarHBondContact NH1-O 3.27Å; P84-V86 PolarHBondContact O-N 3.15Å; P84-A88 HydrophobicContact CB-CB 4.3Å; P84-A88 CarbonylContact O-C 3.59Å; P84-A88 WeakPolarHBondContact O-CA 3.43Å; P84-A88 VanDerWaalsContact O-CB 3.32Å; P84-A88 WeakPolarHBondContact O-CB 3.31Å; P84-A88 PolarHBondContact O-N 3.44Å
85D94.7Very high93.6Very high52 Ų5252 Ų5228%0.27827%0.273SS..Hα-helixtrans-77.6-0.4177.9-58.4-22.7000114.4R59 H83 T89 K175R59-D85 IonicContact CZ-OD1 2.99Å; R59-D85 IonicContact NH1-OD1 3.11Å; R59-D85 PolarHBondContact NH1-OD1 2.9Å; H83-D85 VanDerWaalsContact C-N 3.35Å; H83-D85 IonicContact CE1-OD2 3.81Å; H83-D85 PolarHBondContact CE1-OD2 3.15Å; H83-D85 PolarHBondContact ND1-N 3.35Å; H83-D85 VanDerWaalsContact ND1-N 3.13Å; H83-D85 PolarHBondContact O-N 3.19Å; D85-T89 PolarHBondContact O-OG1 3.22Å; D85-K175 WeakPolarHBondContact O-CD 3.38Å; D85-K175 WeakPolarHBondContact O-CE 3.41Å; D85-K175 PolarHBondContact O-NZ 2.73Å
86V94.1Very high94Very high42 Ų4249.7 Ų49.726%0.25526%0.263SS..Hα-helixtrans-110.5-48.9174.2179.60000109.7H83 P84 K175 L178 T179H83-V86 HydrophobicContact CB-CG2 4.5Å; H83-V86 PolarHBondContact O-N 3.43Å; H83-V86 VanDerWaalsContact O-N 3.14Å; P84-V86 PolarHBondContact O-N 3.15Å; V86-K175 VanDerWaalsContact O-O 3.12Å; V86-L178 HydrophobicContact CG1-CD1 4.05Å; V86-T179 PolarHBondContact O-OG1 3.06Å
87F95Very high94.3Very high39 Ų3947 Ų4717%0.17126%0.258CS..Hα-helixtrans-101.3-9.1-171.9-67.3-83.3000114.7L82 H83 L178 T179 L182 L187L82-F87 HydrophobicContact CB-CB 4.21Å; L82-F87 HydrophobicContact CB-CD2 3.69Å; L82-F87 HydrophobicContact CB-CE2 4.27Å; L82-F87 HydrophobicContact CB-CG 4.04Å; L82-F87 HydrophobicContact CD1-CB 4.28Å; L82-F87 HydrophobicContact CD1-CD1 4.03Å; L82-F87 HydrophobicContact CD1-CD2 4.2Å; L82-F87 HydrophobicContact CD1-CE1 4.4Å; L82-F87 HydrophobicContact CD1-CG 3.91Å; L82-F87 HydrophobicContact CD2-CD2 4.27Å; L82-F87 HydrophobicContact CD2-CE2 4.02Å; L82-F87 HydrophobicContact CD2-CZ 4.31Å; L82-F87 HydrophobicContact CG-CD2 4.29Å; L82-F87 HydrophobicContact CG-CG 4.48Å; H83-F87 PolarHBondContact O-N 3.17Å; H83-F87 VanDerWaalsContact O-N 3.11Å; F87-L178 HydrophobicContact CD1-CB 4.14Å; F87-L178 HydrophobicContact CE1-CB 4.18Å; F87-L178 HydrophobicContact CE1-CD1 4.18Å; F87-L178 HydrophobicContact CE1-CD2 4.47Å; F87-L178 HydrophobicContact CZ-CD1 4.44Å; F87-T179 WeakPolarHBondContact O-CA 3.24Å; F87-T179 WeakPolarHBondContact O-CB 3.19Å; F87-T179 VanDerWaalsContact O-CG2 3.28Å; F87-T179 WeakPolarHBondContact O-CG2 3.24Å; F87-T179 PolarHBondContact O-OG1 2.84Å; F87-L182 HydrophobicContact CB-CD2 3.84Å; F87-L182 HydrophobicContact CD1-CD2 4.4Å; F87-L187 HydrophobicContact CD1-CD2 4.01Å; F87-L187 HydrophobicContact CE1-CD2 3.87Å
88A94.8Very high94.4Very high26 Ų2649.3 Ų49.322%0.21527%0.266CS..SBendtrans-129.943178.100000111.8R59 V62 P84R59-A88 PolarHBondContact NH2-O 3Å; V62-A88 HydrophobicContact CG2-CB 3.69Å; P84-A88 HydrophobicContact CB-CB 4.3Å; P84-A88 CarbonylContact O-C 3.59Å; P84-A88 WeakPolarHBondContact O-CA 3.43Å; P84-A88 VanDerWaalsContact O-CB 3.32Å; P84-A88 WeakPolarHBondContact O-CB 3.31Å; P84-A88 PolarHBondContact O-N 3.44Å
89T94.4Very high94.5Very high28 Ų2849.6 Ų49.617%0.17227%0.266CS..  trans-79.3154174.5-57.40000110.7D85 L172 V176 T179D85-T89 PolarHBondContact O-OG1 3.22Å; T89-L172 HydrophobicContact CG2-CD1 3.99Å; T89-V176 HydrophobicContact CG2-CG2 4.4Å; T89-T179 PolarHBondContact N-OG1 2.96Å; T89-T179 VanDerWaalsContact N-OG1 3.11Å; T89-T179 VanDerWaalsContact O-CG2 3.25Å; T89-T179 WeakPolarHBondContact O-CG2 3.29Å
90A94Very high94.5Very high67 Ų6749 Ų4955%0.55427%0.268SS*.  trans-54.8131.2173.600000111.2R92A90-R92 PolarHBondContact O-N 3.34Å
91P93.7Very high94.5Very high94 Ų9452.3 Ų52.361%0.6128%0.284SS*.  trans-72.986.7-174.128.5-34.8000111.7L93 V180P91-L93 PolarHBondContact O-N 3.32Å; P91-V180 HydrophobicContact CB-CG2 4.37Å
92R94Very high94.5Very high116 Ų11650.4 Ų50.444%0.43827%0.274SS..  trans-9084.6-179.2-75.3-16667.9167.32.1112.6A90 D94 I95 L96 V176A90-R92 PolarHBondContact O-N 3.34Å; R92-D94 VanDerWaalsContact C-OD1 3.26Å; R92-D94 WeakPolarHBondContact CA-OD1 3.48Å; R92-D94 VanDerWaalsContact CB-OD1 3.25Å; R92-D94 WeakPolarHBondContact CB-OD1 3.3Å; R92-D94 IonicContact CZ-OD2 3.21Å; R92-D94 IonicContact NE-OD1 3.85Å; R92-D94 PolarHBondContact NE-OD1 3.29Å; R92-D94 IonicContact NE-OD2 2.79Å; R92-D94 IonicContact NH2-OD2 3Å; R92-D94 PolarHBondContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact O-N 3.38Å; R92-I95 HydrophobicContact CB-CB 4.45Å; R92-I95 HydrophobicContact CB-CD1 4.25Å; R92-I95 HydrophobicContact CB-CG1 4.3Å; R92-I95 PolarHBondContact O-N 2.85Å; R92-L96 PolarHBondContact O-N 3.04Å; R92-V176 HydrophobicContact CB-CG2 4.12Å
93L94.3Very high94.4Very high118 Ų11850.9 Ų50.962%0.61828%0.275SS*.Hα-helixtrans-63.4-27.1-179.4-58.3-178.7000113.4P91 L96 H97P91-L93 PolarHBondContact O-N 3.32Å; L93-L96 HydrophobicContact CD2-CD1 4.13Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-H97 PolarHBondContact O-N 2.9Å
94D95.8Very high94.2Very high72 Ų7256.2 Ų56.239%0.38530%0.298SS..Hα-helixtrans-58.3-47.2174.160.6-40.4000111.7R92 H97 Q98R92-D94 VanDerWaalsContact C-OD1 3.26Å; R92-D94 WeakPolarHBondContact CA-OD1 3.48Å; R92-D94 VanDerWaalsContact CB-OD1 3.25Å; R92-D94 WeakPolarHBondContact CB-OD1 3.3Å; R92-D94 IonicContact CZ-OD2 3.21Å; R92-D94 IonicContact NE-OD1 3.85Å; R92-D94 PolarHBondContact NE-OD1 3.29Å; R92-D94 IonicContact NE-OD2 2.79Å; R92-D94 IonicContact NH2-OD2 3Å; R92-D94 PolarHBondContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact O-N 3.38Å; D94-H97 PolarHBondContact O-N 3.21Å; D94-Q98 WeakPolarHBondContact O-CG 3.25Å; D94-Q98 PolarHBondContact O-N 3.48Å
95I94.4Very high94.1Very high8 Ų857.7 Ų57.74%0.04131%0.306CS..Hα-helixtrans-69.4-40.4-180-63.4-175.9000110.7R92 H97 Q98 V99 V169 L172R92-I95 HydrophobicContact CB-CB 4.45Å; R92-I95 HydrophobicContact CB-CD1 4.25Å; R92-I95 HydrophobicContact CB-CG1 4.3Å; R92-I95 PolarHBondContact O-N 2.85Å; I95-H97 VanDerWaalsContact C-N 3.33Å; I95-H97 PolarHBondContact O-N 2.97Å; I95-Q98 PolarHBondContact O-N 3.32Å; I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.44Å; I95-V99 PolarHBondContact O-N 3.01Å; I95-V169 HydrophobicContact CG2-CG1 4.13Å; I95-L172 HydrophobicContact CD1-CD2 3.33Å; I95-L172 HydrophobicContact CD1-CG 3.87Å
96L92.3Very high94.1Very high22 Ų2257.3 Ų57.312%0.11530%0.302CS..Hα-helixtrans-57-47.9175.1-76.9179.7000111.5R92 L93 Q98 V99 A100 G173 V176 A177 V180R92-L96 PolarHBondContact O-N 3.04Å; L93-L96 HydrophobicContact CD2-CD1 4.13Å; L93-L96 PolarHBondContact O-N 3.49Å; L96-Q98 PolarHBondContact O-N 2.8Å; L96-V99 PolarHBondContact O-N 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.44Å; L96-G173 VanDerWaalsContact CD2-O 3.27Å; L96-G173 WeakPolarHBondContact CD2-O 3.45Å; L96-V176 HydrophobicContact CD1-CG1 3.72Å; L96-V176 HydrophobicContact CD2-CB 4.28Å; L96-V176 HydrophobicContact CD2-CG1 4.24Å; L96-V176 HydrophobicContact CG-CB 4.21Å; L96-V176 HydrophobicContact CG-CG1 3.7Å; L96-A177 HydrophobicContact CD2-CB 3.77Å; L96-V180 HydrophobicContact CD1-CG2 4.26Å
97H94.8Very high93.9Very high122 Ų12262.1 Ų62.157%0.56532%0.32SS*.Hα-helixtrans-61.4-44.3177.6175.5-103000112.1L93 D94 I95 V99 A100 M101L93-H97 PolarHBondContact O-N 2.9Å; D94-H97 PolarHBondContact O-N 3.21Å; I95-H97 VanDerWaalsContact C-N 3.33Å; I95-H97 PolarHBondContact O-N 2.97Å; H97-V99 PolarHBondContact O-N 3.46Å; H97-A100 PolarHBondContact O-N 2.89Å; H97-M101 WeakPolarHBondContact O-CB 3.45Å; H97-M101 WeakPolarHBondContact O-CG 3.38Å; H97-M101 PolarHBondContact O-N 2.89Å
98Q94.6Very high93.9Very high91 Ų9166.1 Ų66.143%0.42533%0.334SS..Hα-helixtrans-60.8-46.3177.9-72.4175.422.400112.2D94 I95 L96 M101 W102D94-Q98 WeakPolarHBondContact O-CG 3.25Å; D94-Q98 PolarHBondContact O-N 3.48Å; I95-Q98 PolarHBondContact O-N 3.32Å; L96-Q98 PolarHBondContact O-N 2.8Å; Q98-M101 PolarHBondContact O-N 3.44Å; Q98-W102 VanDerWaalsContact O-CB 3.3Å; Q98-W102 WeakPolarHBondContact O-CB 3.18Å; Q98-W102 PolarHBondContact O-N 3.37Å
99V94.3Very high93.9Very high12 Ų1269 Ų697%0.07335%0.345CS..Hα-helixtrans-65.7-41179.2173.70000111.1I95 L96 H97 W102 Q103 L165 W250I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.44Å; I95-V99 PolarHBondContact O-N 3.01Å; L96-V99 PolarHBondContact O-N 3.25Å; H97-V99 PolarHBondContact O-N 3.46Å; V99-W102 PolarHBondContact O-N 3.32Å; V99-Q103 WeakPolarHBondContact O-CB 3.24Å; V99-Q103 WeakPolarHBondContact O-CG 3.17Å; V99-Q103 PolarHBondContact O-N 2.94Å; V99-L165 HydrophobicContact CG2-CD1 4.17Å; V99-W250 HydrophobicContact CG1-CH2 3.95Å; V99-W250 HydrophobicContact CG1-CZ2 4.09Å
100A92.8Very high94Very high31 Ų3169 Ų6926%0.25635%0.346SS..Hα-helixtrans-63.1-45.2176.600000112.2L96 H97 Q103 K104L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.44Å; H97-A100 PolarHBondContact O-N 2.89Å; A100-Q103 PolarHBondContact O-N 3.39Å; A100-K104 PolarHBondContact O-N 3.5Å; A100-K104 VanDerWaalsContact O-N 3.11Å
101M94.8Very high94.1Very high71 Ų7174.4 Ų74.435%0.3535%0.353SS..Hα-helixtrans-66.2-38.4177-73.3-59.1-67.100112.4H97 Q98 K104 N105H97-M101 WeakPolarHBondContact O-CB 3.45Å; H97-M101 WeakPolarHBondContact O-CG 3.38Å; H97-M101 PolarHBondContact O-N 2.89Å; Q98-M101 PolarHBondContact O-N 3.44Å; M101-K104 PolarHBondContact O-N 2.86Å; M101-N105 WeakPolarHBondContact O-CB 3.23Å; M101-N105 PolarHBondContact O-N 2.86Å; M101-N105 VanDerWaalsContact O-N 3.1Å; M101-N105 PolarHBondContact O-ND2 3.17Å
102W96.1Very high94.2Very high2 Ų272.1 Ų72.11%0.00834%0.342CS..Hα-helixtrans-62.7-46.1173.5171.480.8000111.1Q98 V99 K104 N105 F106 Y163 M164 L165 W250Q98-W102 VanDerWaalsContact O-CB 3.3Å; Q98-W102 WeakPolarHBondContact O-CB 3.18Å; Q98-W102 PolarHBondContact O-N 3.37Å; V99-W102 PolarHBondContact O-N 3.32Å; W102-K104 VanDerWaalsContact C-N 3.26Å; W102-K104 PolarHBondContact O-N 2.91Å; W102-N105 PolarHBondContact O-N 3.34Å; W102-N105 VanDerWaalsContact O-N 3.11Å; W102-F106 HydrophobicContact CE3-CD1 4.41Å; W102-F106 HydrophobicContact CH2-CD1 4.07Å; W102-F106 HydrophobicContact CH2-CD2 4.22Å; W102-F106 AromaticContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE2 4.07Å; W102-F106 HydrophobicContact CH2-CG 4.17Å; W102-F106 AromaticContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CZ2-CD1 4.44Å; W102-F106 HydrophobicContact CZ2-CD2 4.2Å; W102-F106 HydrophobicContact CZ2-CE2 4.44Å; W102-F106 HydrophobicContact CZ2-CG 4.14Å; W102-F106 AromaticContact CZ3-CD1 3.91Å; W102-F106 HydrophobicContact CZ3-CD1 3.91Å; W102-F106 AromaticContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CG 4.41Å; W102-F106 HydrophobicContact CZ3-CZ 4.14Å; W102-F106 WeakPolarHBondContact O-CB 3.21Å; W102-F106 WeakPolarHBondContact O-CD1 3.35Å; W102-F106 PolarHBondContact O-N 3.41Å; W102-Y163 WeakPolarHBondContact CA-OH 3.31Å; W102-Y163 HydrophobicContact CB-CE2 4.04Å; W102-Y163 WeakPolarHBondContact CB-OH 3.3Å; W102-Y163 AromaticContact CD1-CD2 3.66Å; W102-Y163 AromaticContact CD1-CE2 3.42Å; W102-Y163 VanDerWaalsContact CD1-CE2 3.42Å; W102-Y163 AromaticContact CD1-CZ 3.65Å; W102-Y163 VanDerWaalsContact CD1-O 3.29Å; W102-Y163 HydrophobicContact CG-CE2 4.08Å; W102-Y163 PolarHBondContact N-OH 2.91Å; W102-Y163 PolarHBondContact NE1-O 2.92Å; W102-M164 HydrophobicContact CZ2-SD 3.9Å; W102-L165 HydrophobicContact CB-CD1 3.27Å; W102-L165 HydrophobicContact CB-CG 3.95Å; W102-L165 HydrophobicContact CD2-CB 4.34Å; W102-L165 HydrophobicContact CD2-CD1 3.63Å; W102-L165 HydrophobicContact CD2-CG 4.09Å; W102-L165 HydrophobicContact CE3-CD1 4.17Å; W102-L165 HydrophobicContact CG-CB 4.3Å; W102-L165 HydrophobicContact CG-CD1 3.26Å; W102-L165 HydrophobicContact CG-CG 3.59Å; W102-W250 AromaticContact CE3-CH2 3.52Å; W102-W250 HydrophobicContact CE3-CH2 3.52Å; W102-W250 AromaticContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CH2-CD2 4.35Å; W102-W250 AromaticContact CH2-CE3 3.31Å; W102-W250 HydrophobicContact CH2-CE3 3.31Å; W102-W250 AromaticContact CH2-CH2 3.64Å; W102-W250 HydrophobicContact CH2-CH2 3.64Å; W102-W250 AromaticContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CZ2-CE3 4.47Å; W102-W250 HydrophobicContact CZ2-CZ3 4.33Å; W102-W250 AromaticContact CZ3-CE3 3.57Å; W102-W250 HydrophobicContact CZ3-CE3 3.57Å; W102-W250 AromaticContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CZ2 4.22Å; W102-W250 AromaticContact CZ3-CZ3 2.74Å; W102-W250 HydrophobicContact CZ3-CZ3 2.74Å
103Q91.8Very high94.3Very high23 Ų2373 Ų7311%0.10735%0.349CS..Hα-helixtrans-58.5-37.3177.4-79.9171.8-7.400113.1V99 A100 F106 W250 F268 P269V99-Q103 WeakPolarHBondContact O-CB 3.24Å; V99-Q103 WeakPolarHBondContact O-CG 3.17Å; V99-Q103 PolarHBondContact O-N 2.94Å; A100-Q103 PolarHBondContact O-N 3.39Å; Q103-F106 HydrophobicContact CB-CE1 4.45Å; Q103-F106 WeakPolarHBondContact O-CD1 3.4Å; Q103-F106 WeakPolarHBondContact O-CE1 3.48Å; Q103-W250 HydrophobicContact CG-CH2 3.79Å; Q103-W250 HydrophobicContact CG-CZ3 3.87Å; Q103-W250 VanDerWaalsContact NE2-CH2 3.25Å; Q103-F268 VanDerWaalsContact CD-CB 3.42Å; Q103-P269 VanDerWaalsContact OE1-CD 3.32Å
104K92.1Very high94.4Very high143 Ų14369 Ų6962%0.62233%0.33SS*.Hα-helixtrans-69.4-39.1177.1-174.4177.1-178.3177.20112.6A100 M101 W102A100-K104 PolarHBondContact O-N 3.5Å; A100-K104 VanDerWaalsContact O-N 3.11Å; M101-K104 PolarHBondContact O-N 2.86Å; W102-K104 VanDerWaalsContact C-N 3.26Å; W102-K104 PolarHBondContact O-N 2.91Å
105N94.4Very high94.5Very high33 Ų3372.3 Ų72.318%0.17634%0.341CS..Hα-helixtrans-94-34.1-169.5-70.6-21.1000113.7M101 W102 K107 R108 Y163M101-N105 WeakPolarHBondContact O-CB 3.23Å; M101-N105 PolarHBondContact O-N 2.86Å; M101-N105 VanDerWaalsContact O-N 3.1Å; M101-N105 PolarHBondContact O-ND2 3.17Å; W102-N105 PolarHBondContact O-N 3.34Å; W102-N105 VanDerWaalsContact O-N 3.11Å; N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 3.19Å; N105-R108 VanDerWaalsContact O-CB 3.24Å; N105-R108 WeakPolarHBondContact O-CB 3.44Å; N105-R108 PolarHBondContact O-N 3.15Å; N105-Y163 HydrophobicContact CB-CE1 4.02Å
106F94.2Very high94.5Very high44 Ų4473.6 Ų73.619%0.19335%0.349CS..Hα-helixtrans-64.3-29.7-170.786.6-76.5000113.9W102 Q103W102-F106 HydrophobicContact CE3-CD1 4.41Å; W102-F106 HydrophobicContact CH2-CD1 4.07Å; W102-F106 HydrophobicContact CH2-CD2 4.22Å; W102-F106 AromaticContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE2 4.07Å; W102-F106 HydrophobicContact CH2-CG 4.17Å; W102-F106 AromaticContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CZ2-CD1 4.44Å; W102-F106 HydrophobicContact CZ2-CD2 4.2Å; W102-F106 HydrophobicContact CZ2-CE2 4.44Å; W102-F106 HydrophobicContact CZ2-CG 4.14Å; W102-F106 AromaticContact CZ3-CD1 3.91Å; W102-F106 HydrophobicContact CZ3-CD1 3.91Å; W102-F106 AromaticContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CG 4.41Å; W102-F106 HydrophobicContact CZ3-CZ 4.14Å; W102-F106 WeakPolarHBondContact O-CB 3.21Å; W102-F106 WeakPolarHBondContact O-CD1 3.35Å; W102-F106 PolarHBondContact O-N 3.41Å; Q103-F106 HydrophobicContact CB-CE1 4.45Å; Q103-F106 WeakPolarHBondContact O-CD1 3.4Å; Q103-F106 WeakPolarHBondContact O-CE1 3.48Å
107K90.4Very high94.6Very high142 Ų14278.5 Ų78.562%0.61737%0.366SS*.THydrogen-bonded Turntrans-88.2-6.9175.5-66.2177.4-177.9-173.10113.2N105N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 3.19Å
108R93.5Very high94.6Very high124 Ų12476.4 Ų76.447%0.46837%0.369SS..  trans-80.4125.6-171.3-174.5-176178.1-166.9-2110.6N105 Y161N105-R108 VanDerWaalsContact O-CB 3.24Å; N105-R108 WeakPolarHBondContact O-CB 3.44Å; N105-R108 PolarHBondContact O-N 3.15Å; R108-Y161 HydrophobicContact CB-CD2 4.43Å; R108-Y161 HydrophobicContact CG-CD2 4.16Å; R108-Y161 PolarHBondContact O-N 3.15Å
109I96Very high94.6Very high87 Ų8775.7 Ų75.745%0.44637%0.366SS..EExtended strand (participates in β ladder)trans-121.3124.3170-58.4173.7000107.6Y111I109-Y111 HydrophobicContact CB-CE2 4.21Å; I109-Y111 HydrophobicContact CG2-CD2 4.46Å; I109-Y111 HydrophobicContact CG2-CE1 3.99Å; I109-Y111 HydrophobicContact CG2-CE2 3.94Å
110S96.1Very high94.7Very high28 Ų2876.5 Ų76.520%0.19637%0.371CS..EExtended strand (participates in β ladder)trans-96.7119.3175.2-175.90000110A112 P158 T159S110-A112 VanDerWaalsContact C-N 3.35Å; S110-P158 CarbonylContact O-C 3.59Å; S110-P158 VanDerWaalsContact O-CA 3.23Å; S110-P158 WeakPolarHBondContact O-CA 3.3Å; S110-T159 PolarHBondContact N-O 3.44Å; S110-T159 PolarHBondContact O-N 3.26Å
111Y96.3Very high94.8Very high180 Ų18086.3 Ų86.371%0.70640%0.401SS*.  trans-91.45.5177.6-63.4-80.7000113.7I109 K113 P158I109-Y111 HydrophobicContact CB-CE2 4.21Å; I109-Y111 HydrophobicContact CG2-CD2 4.46Å; I109-Y111 HydrophobicContact CG2-CE1 3.99Å; I109-Y111 HydrophobicContact CG2-CE2 3.94Å; Y111-K113 PolarHBondContact O-N 2.83Å; Y111-P158 HydrophobicContact CD1-CB 4.43Å
112A96Very high94.8Very high45 Ų4585.2 Ų85.237%0.37241%0.408SS..  trans-64.1128.6179.900000110.1S110 P155 G157S110-A112 VanDerWaalsContact C-N 3.35Å; A112-P155 HydrophobicContact CB-CB 3.79Å; A112-P155 HydrophobicContact CB-CG 3.77Å; A112-P155 WeakPolarHBondContact O-CB 3.45Å; A112-G157 PolarHBondContact O-N 3.1Å
113K96.3Very high94.5Very high135 Ų13585.9 Ų85.959%0.58742%0.415SS*.  trans-141.1122.8177.8-174.6175.4178.1177.60110.2Y111 P155Y111-K113 PolarHBondContact O-N 2.83Å; K113-P155 WeakPolarHBondContact CA-O 3.44Å
114T96.4Very high94.4Very high35 Ų3588.7 Ų88.722%0.21545%0.451CS..PPolyproline II helixtrans-99.6144.5169.5520000110.8V151 G154 P155 R156T114-V151 HydrophobicContact CG2-CB 4.44Å; T114-V151 HydrophobicContact CG2-CG2 4.14Å; T114-G154 WeakPolarHBondContact OG1-CA 3.5Å; T114-P155 HydrophobicContact CG2-CG 3.98Å; T114-P155 PolarHBondContact N-O 2.93Å; T114-P155 PolarHBondContact OG1-O 3.12Å; T114-R156 PolarHBondContact O-NH1 3.02Å
115K96.1Very high94.5Very high141 Ų14192.6 Ų92.661%0.61346%0.462SS*.PPolyproline II helixtrans-74.7126.4174.6-63.2-176-177.5179.50110.2E119 V120 G150 V151K115-E119 VanDerWaalsContact CA-OE2 3.3Å; K115-E119 WeakPolarHBondContact CA-OE2 3.38Å; K115-E119 HydrophobicContact CB-CB 4.12Å; K115-E119 HydrophobicContact CG-CB 4.49Å; K115-V120 HydrophobicContact CB-CG2 3.83Å; K115-G150 WeakPolarHBondContact O-CA 3.38Å; K115-V151 PolarHBondContact O-N 2.92Å
116T96.3Very high94.5Very high34 Ų3495.2 Ų95.221%0.20947%0.471CS..PPolyproline II helixtrans-73.8167.4169.665.90000110.4A118 E119 V120T116-A118 PolarHBondContact O-N 3.1Å; T116-A118 PolarHBondContact OG1-N 3.03Å; T116-E119 PolarHBondContact N-OE2 3.25Å; T116-E119 PolarHBondContact O-N 3.32Å; T116-E119 WeakPolarHBondContact OG1-CG 3.27Å; T116-V120 WeakPolarHBondContact O-CG2 3.33Å; T116-V120 PolarHBondContact O-N 3.35Å; T116-V120 VanDerWaalsContact O-N 3.08Å
117R94.4Very high94.6Very high126 Ų12695.2 Ų95.248%0.47548%0.476SS..THydrogen-bonded Turntrans-54.9-24.8175.165.8177.6-67.2-163.4-4.3114R142R117-R142 HydrophobicContact CB-CB 4.43Å; R117-R142 VanDerWaalsContact CB-O 3.22Å; R117-R142 WeakPolarHBondContact CB-O 3.26Å; R117-R142 WeakPolarHBondContact O-CD 3.43Å; R117-R142 PolarHBondContact O-NH1 3.31Å
118A94.1Very high94.8Very high77 Ų7790.3 Ų90.364%0.63645%0.454SS*.THydrogen-bonded Turntrans-77.9-35.8176.700000112.1T116 R142T116-A118 PolarHBondContact O-N 3.1Å; T116-A118 PolarHBondContact OG1-N 3.03Å; A118-R142 PolarHBondContact O-NH1 2.89Å
119E95.3Very high95Very high76 Ų7688.6 Ų88.636%0.35546%0.459SS..THydrogen-bonded Turntrans-85.3-21.1-176.1-64.3168.1165.500113.7K115 T116 R156K115-E119 VanDerWaalsContact CA-OE2 3.3Å; K115-E119 WeakPolarHBondContact CA-OE2 3.38Å; K115-E119 HydrophobicContact CB-CB 4.12Å; K115-E119 HydrophobicContact CG-CB 4.49Å; T116-E119 PolarHBondContact N-OE2 3.25Å; T116-E119 PolarHBondContact O-N 3.32Å; T116-E119 WeakPolarHBondContact OG1-CG 3.27Å; E119-R156 IonicContact OE1-CZ 2.89Å; E119-R156 IonicContact OE1-NH1 3.88Å; E119-R156 PolarHBondContact OE1-NH1 3.3Å; E119-R156 VanDerWaalsContact OE1-NH1 3.15Å; E119-R156 IonicContact OE1-NH2 3.72Å; E119-R156 PolarHBondContact OE1-NH2 3.39Å; E119-R156 IonicContact OE2-CZ 3.79Å; E119-R156 IonicContact OE2-NH1 2.67Å; E119-R156 PolarHBondContact OE2-NH1 2.9Å; E119-R156 IonicContact OE2-NH2 2.82Å
120V96.1Very high94.9Very high29 Ų2988.7 Ų88.718%0.17646%0.457CS..SBendtrans-64.3151.4171175.40000109.6K115 T116 R142K115-V120 HydrophobicContact CB-CG2 3.83Å; T116-V120 WeakPolarHBondContact O-CG2 3.33Å; T116-V120 PolarHBondContact O-N 3.35Å; T116-V120 VanDerWaalsContact O-N 3.08Å; V120-R142 HydrophobicContact CB-CG 4.35Å; V120-R142 HydrophobicContact CG1-CG 4.06Å; V120-R142 PolarHBondContact O-NE 3.41Å; V120-R142 PolarHBondContact O-NH1 3.49Å; V120-R142 PolarHBondContact O-NH2 3.42Å
121R95Very high94.9Very high237 Ų23795.4 Ų95.489%0.89448%0.483SS*.SBendtrans-80.7155.3-179-170.3179.4176.6-168-0.5112.5R142R121-R142 VanDerWaalsContact C-CZ 3.41Å; R121-R142 PolarHBondContact O-NE 2.81Å
122G94.3Very high94.8Very high48 Ų4891 Ų9150%0.49549%0.492SS..SBendtrans91.3-135.8178.300000118.9G124 R142G122-G124 VanDerWaalsContact C-N 3.35Å; G122-G124 PolarHBondContact O-N 3.38Å; G122-R142 PolarHBondContact O-NE 3.42Å; G122-R142 PolarHBondContact O-NH2 3.01Å
123G89.3Confident94.7Very high16 Ų1691.9 Ų91.917%0.16549%0.493CS..  trans62.62.3154.500000123.1S140G123-S140 PolarHBondContact O-OG 2.82Å
124G90.7Very high94.7Very high83 Ų8389.6 Ų89.686%0.85651%0.508SS*.  trans-80.2-21.9-179.500000115G122G122-G124 VanDerWaalsContact C-N 3.35Å; G122-G124 PolarHBondContact O-N 3.38Å
125R93.6Very high94.6Very high225 Ų22596 Ų9685%0.84953%0.528SS*.SBendtrans-95.2139178.8-176.1178.9173.9-169.60111.1
126K95.1Very high94.6Very high87 Ų8792.4 Ų92.438%0.37853%0.525SS..  trans-64.9130.2172.3-167.9174.1-177163.30110.3W128 H138K126-W128 WeakPolarHBondContact CD-O 3.48Å; K126-W128 WeakPolarHBondContact CE-O 3.49Å; K126-W128 WeakPolarHBondContact CG-O 3.5Å; K126-W128 PolarHBondContact O-N 2.79Å; K126-H138 WeakPolarHBondContact CE-O 3.47Å
127P94.9Very high94.6Very high45 Ų4598.8 Ų98.829%0.29255%0.545SS..SBendtrans-61.4-40.4-176.2-26.535.8000114.5H138 I141P127-H138 HydrophobicContact CG-CB 4.43Å; P127-I141 HydrophobicContact CB-CG2 4.36Å; P127-I141 HydrophobicContact CG-CG2 3.67Å
128W96.1Very high94.7Very high39 Ų3994.9 Ų94.915%0.14853%0.532CS..SBendtrans-154.9163176.950.586.4000111.7K126 T133 R135 A136 H138 W146K126-W128 WeakPolarHBondContact CD-O 3.48Å; K126-W128 WeakPolarHBondContact CE-O 3.49Å; K126-W128 WeakPolarHBondContact CG-O 3.5Å; K126-W128 PolarHBondContact O-N 2.79Å; W128-T133 HydrophobicContact CB-CG2 4.14Å; W128-T133 HydrophobicContact CG-CG2 4.46Å; W128-R135 HydrophobicContact CZ2-CB 4Å; W128-A136 WeakPolarHBondContact CZ2-O 3.39Å; W128-A136 PolarHBondContact NE1-O 3.35Å; W128-H138 AromaticContact CH2-CD2 3.78Å; W128-H138 HydrophobicContact CZ2-CB 4.37Å; W128-H138 AromaticContact CZ2-CD2 3.53Å; W128-W146 AromaticContact CH2-CH2 3.68Å; W128-W146 HydrophobicContact CH2-CH2 3.68Å; W128-W146 AromaticContact CH2-CZ2 3.64Å; W128-W146 HydrophobicContact CH2-CZ2 3.64Å; W128-W146 AromaticContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CZ2 4.05Å
129P95.8Very high94.7Very high88 Ų8893.9 Ų93.957%0.57153%0.529SS*.  trans-57.3155.6175.7-24.935.3000113.2K131P129-K131 PolarHBondContact O-N 2.87Å
130Q95.5Very high94.7Very high88 Ų8890.8 Ų90.841%0.41152%0.516SS..SBendtrans-64.3-26.7-174.7-17267.42.600113.9R137Q130-R137 VanDerWaalsContact NE2-CD 3.29Å
131K94.9Very high94.7Very high170 Ų17093.4 Ų93.474%0.73953%0.528SS*.SBendtrans-136.9160.2-175.9-61.8-177.7-180-179.40109.1P129P129-K131 PolarHBondContact O-N 2.87Å
132G95.6Very high94.7Very high87 Ų8784.4 Ų84.490%0.89749%0.494SS*.SBendtrans98.3-20.2174.300000115.9
133T93.4Very high94.7Very high63 Ų6383.1 Ų83.139%0.38748%0.478SS..SBendtrans-95.4-9.5-175.356.80000115.4W128 R135W128-T133 HydrophobicContact CB-CG2 4.14Å; W128-T133 HydrophobicContact CG-CG2 4.46Å; T133-R135 PolarHBondContact O-N 3.48Å; T133-R135 VanDerWaalsContact O-N 3.07Å
134G95.4Very high95Very high88 Ų8885.4 Ų85.491%0.90749%0.49SS*.  trans66.91.8-175.600000115.5
135R95.8Very high95.3Very high168 Ų16888.5 Ų88.563%0.63449%0.486SS*.SBendtrans-95.1164-179.2-61.1177.678.1155.14.7111.9W128 T133W128-R135 HydrophobicContact CZ2-CB 4Å; T133-R135 PolarHBondContact O-N 3.48Å; T133-R135 VanDerWaalsContact O-N 3.07Å
136A95.9Very high95.3Very high66 Ų6681.4 Ų81.455%0.54546%0.459SS..PPolyproline II helixtrans-56149.7171.200000112.1W128W128-A136 WeakPolarHBondContact CZ2-O 3.39Å; W128-A136 PolarHBondContact NE1-O 3.35Å
137R96.2Very high95.3Very high169 Ų16989.2 Ų89.264%0.63849%0.486SS*.PPolyproline II helixtrans-80.6121.5-177.3-67.8165.4172.8-173.69.9110.5Q130Q130-R137 VanDerWaalsContact NE2-CD 3.29Å
138H95.9Very high95.2Very high43 Ų4390.3 Ų90.320%0.19951%0.506CS..  trans-130.8138.8176-69.7-56.4000112.5K126 P127 W128 W146K126-H138 WeakPolarHBondContact CE-O 3.47Å; P127-H138 HydrophobicContact CG-CB 4.43Å; W128-H138 AromaticContact CH2-CD2 3.78Å; W128-H138 HydrophobicContact CZ2-CB 4.37Å; W128-H138 AromaticContact CZ2-CD2 3.53Å; H138-W146 HydrophobicContact CB-CZ2 4.14Å; H138-W146 AromaticContact CD2-CE2 3.81Å; H138-W146 AromaticContact CD2-CZ2 3.48Å; H138-W146 VanDerWaalsContact CD2-CZ2 3.48Å; H138-W146 WeakPolarHBondContact CD2-CZ2 3.34Å; H138-W146 AromaticContact CD2-NE1 3.61Å; H138-W146 AromaticContact CE1-NE1 3.62Å; H138-W146 AromaticContact CG-CE2 3.91Å; H138-W146 AromaticContact CG-CZ2 3.85Å; H138-W146 AromaticContact CG-NE1 3.35Å; H138-W146 AromaticContact ND1-NE1 3.36Å; H138-W146 PolarHBondContact ND1-NE1 3.43Å; H138-W146 AromaticContact NE2-NE1 3.77Å
139G94.7Very high95.1Very high56 Ų5689.4 Ų89.458%0.57751%0.509SS*.SBendtrans-95-28.9177.200000114.2
140S94.9Very high95.2Very high12 Ų1285.5 Ų85.58%0.08448%0.484CS..  trans-156.3145.3-178.7177.80000110.4G123 R142G123-S140 PolarHBondContact O-OG 2.82Å; S140-R142 PolarHBondContact O-N 3.42Å; S140-R142 PolarHBondContact OG-N 2.7Å
141I95.1Very high95.2Very high83 Ų8384.5 Ų84.543%0.42648%0.484SS..THydrogen-bonded Turntrans-71.6-11.7174.663.2173.5000113.7P127 S143 W146P127-I141 HydrophobicContact CB-CG2 4.36Å; P127-I141 HydrophobicContact CG-CG2 3.67Å; I141-S143 VanDerWaalsContact C-N 3.34Å; I141-W146 WeakPolarHBondContact O-CB 3.33Å
142R95.8Very high95.2Very high48 Ų4879.6 Ų79.618%0.18148%0.475CS..THydrogen-bonded Turntrans-91.24.3179.2-60.6175.2-174177.4-2.9113.4R117 A118 V120 R121 G122 S140 G149 G150R117-R142 HydrophobicContact CB-CB 4.43Å; R117-R142 VanDerWaalsContact CB-O 3.22Å; R117-R142 WeakPolarHBondContact CB-O 3.26Å; R117-R142 WeakPolarHBondContact O-CD 3.43Å; R117-R142 PolarHBondContact O-NH1 3.31Å; A118-R142 PolarHBondContact O-NH1 2.89Å; V120-R142 HydrophobicContact CB-CG 4.35Å; V120-R142 HydrophobicContact CG1-CG 4.06Å; V120-R142 PolarHBondContact O-NE 3.41Å; V120-R142 PolarHBondContact O-NH1 3.49Å; V120-R142 PolarHBondContact O-NH2 3.42Å; R121-R142 VanDerWaalsContact C-CZ 3.41Å; R121-R142 PolarHBondContact O-NE 2.81Å; G122-R142 PolarHBondContact O-NE 3.42Å; G122-R142 PolarHBondContact O-NH2 3.01Å; S140-R142 PolarHBondContact O-N 3.42Å; S140-R142 PolarHBondContact OG-N 2.7Å; R142-G149 WeakPolarHBondContact O-CA 3.41Å; R142-G150 PolarHBondContact O-N 3.2Å
143S94.1Very high95.2Very high21 Ų2184.3 Ų84.315%0.14747%0.474CS..SBendtrans-60.8147.9178.7174.40000110.4I141 L145 W146I141-S143 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.26Å; S143-W146 WeakPolarHBondContact O-CB 3.45Å; S143-W146 PolarHBondContact O-N 3.44Å
144P96.4Very high95.2Very high64 Ų6482.6 Ų82.642%0.41647%0.468SS..THydrogen-bonded Turntrans-55.7-21.7176.8-23.631.9000114.8W146 G150 A152P144-W146 VanDerWaalsContact C-N 3.26Å; P144-W146 PolarHBondContact O-N 2.94Å; P144-G150 VanDerWaalsContact CA-O 3.25Å; P144-G150 WeakPolarHBondContact CA-O 3.26Å; P144-G150 WeakPolarHBondContact CB-O 3.3Å; P144-G150 WeakPolarHBondContact CG-O 3.42Å; P144-A152 HydrophobicContact CB-CB 4.1Å; P144-A152 HydrophobicContact CG-CB 3.78Å
145L95.4Very high95.3Very high148 Ų14881.3 Ų81.378%0.77544%0.444SS*.THydrogen-bonded Turntrans-71.2-20.6175.4-61.4174.7000113.2S143S143-L145 PolarHBondContact O-N 3.26Å
146W95Very high95.1Very high76 Ų7679 Ų7929%0.28844%0.435SS..SBendtrans-92.8145.3-177.4-76.472.5000111.2W128 H138 I141 S143 P144 G148 G149W128-W146 AromaticContact CH2-CH2 3.68Å; W128-W146 HydrophobicContact CH2-CH2 3.68Å; W128-W146 AromaticContact CH2-CZ2 3.64Å; W128-W146 HydrophobicContact CH2-CZ2 3.64Å; W128-W146 AromaticContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CZ2 4.05Å; H138-W146 HydrophobicContact CB-CZ2 4.14Å; H138-W146 AromaticContact CD2-CE2 3.81Å; H138-W146 AromaticContact CD2-CZ2 3.48Å; H138-W146 VanDerWaalsContact CD2-CZ2 3.48Å; H138-W146 WeakPolarHBondContact CD2-CZ2 3.34Å; H138-W146 AromaticContact CD2-NE1 3.61Å; H138-W146 AromaticContact CE1-NE1 3.62Å; H138-W146 AromaticContact CG-CE2 3.91Å; H138-W146 AromaticContact CG-CZ2 3.85Å; H138-W146 AromaticContact CG-NE1 3.35Å; H138-W146 AromaticContact ND1-NE1 3.36Å; H138-W146 PolarHBondContact ND1-NE1 3.43Å; H138-W146 AromaticContact NE2-NE1 3.77Å; I141-W146 WeakPolarHBondContact O-CB 3.33Å; S143-W146 WeakPolarHBondContact O-CB 3.45Å; S143-W146 PolarHBondContact O-N 3.44Å; P144-W146 VanDerWaalsContact C-N 3.26Å; P144-W146 PolarHBondContact O-N 2.94Å; W146-G148 PolarHBondContact O-N 3.02Å; W146-G149 PolarHBondContact O-N 3.06Å
147R94.4Very high94.5Very high251 Ų25176.2 Ų76.295%0.94741%0.413SS*.THydrogen-bonded Turntrans-61.7128.7170.4-174.8-176.3178.7-151.70.2109.7G149R147-G149 PolarHBondContact O-N 2.97Å
148G93.2Very high94.4Very high68 Ų6873 Ų7370%0.70141%0.414SS*.THydrogen-bonded Turntrans75.47.7-174.800000114.1W146W146-G148 PolarHBondContact O-N 3.02Å
149G94.4Very high94.3Very high21 Ų2173.7 Ų73.722%0.21642%0.421CS..PPolyproline II helixtrans-69.4171170.100000113R142 W146 R147R142-G149 WeakPolarHBondContact O-CA 3.41Å; W146-G149 PolarHBondContact O-N 3.06Å; R147-G149 PolarHBondContact O-N 2.97Å
150G96.3Very high94.3Very high5 Ų575.1 Ų75.15%0.05242%0.422CS..PPolyproline II helixtrans-73.4156.4176.500000112.6K115 R142 P144K115-G150 WeakPolarHBondContact O-CA 3.38Å; R142-G150 PolarHBondContact O-N 3.2Å; P144-G150 VanDerWaalsContact CA-O 3.25Å; P144-G150 WeakPolarHBondContact CA-O 3.26Å; P144-G150 WeakPolarHBondContact CB-O 3.3Å; P144-G150 WeakPolarHBondContact CG-O 3.42Å
151V96.9Very high94.4Very high68 Ų6879.1 Ų79.141%0.41244%0.436SS..PPolyproline II helixtrans-78.6132175.2-178.20000109.4T114 K115T114-V151 HydrophobicContact CG2-CB 4.44Å; T114-V151 HydrophobicContact CG2-CG2 4.14Å; K115-V151 PolarHBondContact O-N 2.92Å
152A94.9Very high94.4Very high67 Ų6781.6 Ų81.655%0.55444%0.441SS*.SBendtrans-70.8-59.6179.100000111.8P144P144-A152 HydrophobicContact CB-CB 4.1Å; P144-A152 HydrophobicContact CG-CB 3.78Å
153H95.1Very high94.5Very high186 Ų18683.9 Ų83.986%0.86145%0.451SS*.SBendtrans-120.7102.8176.2-60.1-62.1000108.5
154G94.4Very high94.5Very high27 Ų2786.6 Ų86.628%0.27846%0.462SS..  trans-143.8172.3176.700000109.9T114 R156T114-G154 WeakPolarHBondContact OG1-CA 3.5Å; G154-R156 PolarHBondContact O-N 3.22Å
155P95.9Very high94.5Very high60 Ų6084.6 Ų84.639%0.3945%0.448SS..  trans-60.4132.2-178.827.5-36.6000110.7A112 K113 T114A112-P155 HydrophobicContact CB-CB 3.79Å; A112-P155 HydrophobicContact CB-CG 3.77Å; A112-P155 WeakPolarHBondContact O-CB 3.45Å; K113-P155 WeakPolarHBondContact CA-O 3.44Å; T114-P155 HydrophobicContact CG2-CG 3.98Å; T114-P155 PolarHBondContact N-O 2.93Å; T114-P155 PolarHBondContact OG1-O 3.12Å
156R91.9Very high94.5Very high120 Ų12081.5 Ų81.545%0.45344%0.437SS..  trans-108.588.7-176.8-66.6-58.8-63.2149.6-4.7110.1T114 E119 G154T114-R156 PolarHBondContact O-NH1 3.02Å; E119-R156 IonicContact OE1-CZ 2.89Å; E119-R156 IonicContact OE1-NH1 3.88Å; E119-R156 PolarHBondContact OE1-NH1 3.3Å; E119-R156 VanDerWaalsContact OE1-NH1 3.15Å; E119-R156 IonicContact OE1-NH2 3.72Å; E119-R156 PolarHBondContact OE1-NH2 3.39Å; E119-R156 IonicContact OE2-CZ 3.79Å; E119-R156 IonicContact OE2-NH1 2.67Å; E119-R156 PolarHBondContact OE2-NH1 2.9Å; E119-R156 IonicContact OE2-NH2 2.82Å; G154-R156 PolarHBondContact O-N 3.22Å
157G83.9Confident94.6Very high8 Ų884.7 Ų84.78%0.08246%0.456CS..SBendtrans60.6-170.7167.800000114.2A112 T159A112-G157 PolarHBondContact O-N 3.1Å; G157-T159 PolarHBondContact O-N 3.28Å; G157-T159 PolarHBondContact O-OG1 2.9Å
158P93.3Very high94.6Very high102 Ų10281.3 Ų81.366%0.66245%0.449SS*.SBendtrans-60.9108.2-174.625.6-32.7000110.1S110 Y111S110-P158 CarbonylContact O-C 3.59Å; S110-P158 VanDerWaalsContact O-CA 3.23Å; S110-P158 WeakPolarHBondContact O-CA 3.3Å; Y111-P158 HydrophobicContact CD1-CB 4.43Å
159T94.8Very high94.8Very high56 Ų5679.9 Ų79.934%0.34443%0.426SS..EExtended strand (participates in β ladder)trans-104.9121.5178-53.70000108.5S110 G157 Y161S110-T159 PolarHBondContact N-O 3.44Å; S110-T159 PolarHBondContact O-N 3.26Å; G157-T159 PolarHBondContact O-N 3.28Å; G157-T159 PolarHBondContact O-OG1 2.9Å; T159-Y161 HydrophobicContact CG2-CE2 4.31Å
160S95.2Very high94.7Very high86 Ų8680.6 Ų80.660%0.60142%0.422SS*.EExtended strand (participates in β ladder)trans-89141.3173.659.10000110.5
161Y95.4Very high94.6Very high96 Ų9682.6 Ų82.638%0.37644%0.438SS..  trans-107.130.1173.9-66-99.1000110.7R108 T159 Y163R108-Y161 HydrophobicContact CB-CD2 4.43Å; R108-Y161 HydrophobicContact CG-CD2 4.16Å; R108-Y161 PolarHBondContact O-N 3.15Å; T159-Y161 HydrophobicContact CG2-CE2 4.31Å; Y161-Y163 WeakPolarHBondContact O-CD1 3.36Å
162Y96.4Very high94.6Very high136 Ų13681.7 Ų81.753%0.53343%0.431SS..  trans-74.9128.4-174.1177.1-96.1000111M164Y162-M164 HydrophobicContact CE1-CG 4.31Å; Y162-M164 HydrophobicContact CE2-CE 4.1Å; Y162-M164 HydrophobicContact CE2-CG 4.37Å; Y162-M164 WeakPolarHBondContact OH-CE 3.47Å; Y162-M164 VanDerWaalsContact OH-CG 3.25Å; Y162-M164 WeakPolarHBondContact OH-CG 3.44Å
163Y96.3Very high94.5Very high96 Ų9678.7 Ų78.738%0.37641%0.406SS..  trans-150.4156.8166.866.6-76000108.4W102 N105 Y161 L165W102-Y163 WeakPolarHBondContact CA-OH 3.31Å; W102-Y163 HydrophobicContact CB-CE2 4.04Å; W102-Y163 WeakPolarHBondContact CB-OH 3.3Å; W102-Y163 AromaticContact CD1-CD2 3.66Å; W102-Y163 AromaticContact CD1-CE2 3.42Å; W102-Y163 VanDerWaalsContact CD1-CE2 3.42Å; W102-Y163 AromaticContact CD1-CZ 3.65Å; W102-Y163 VanDerWaalsContact CD1-O 3.29Å; W102-Y163 HydrophobicContact CG-CE2 4.08Å; W102-Y163 PolarHBondContact N-OH 2.91Å; W102-Y163 PolarHBondContact NE1-O 2.92Å; N105-Y163 HydrophobicContact CB-CE1 4.02Å; Y161-Y163 WeakPolarHBondContact O-CD1 3.36Å; Y163-L165 HydrophobicContact CE2-CG 4.49Å
164M95.6Very high94.4Very high77 Ų7772.3 Ų72.338%0.37938%0.378SS..  trans-112.9128.2179.9-85.6-67.6-167.500111.3W102 Y162 H252W102-M164 HydrophobicContact CZ2-SD 3.9Å; Y162-M164 HydrophobicContact CE1-CG 4.31Å; Y162-M164 HydrophobicContact CE2-CE 4.1Å; Y162-M164 HydrophobicContact CE2-CG 4.37Å; Y162-M164 WeakPolarHBondContact OH-CE 3.47Å; Y162-M164 VanDerWaalsContact OH-CG 3.25Å; Y162-M164 WeakPolarHBondContact OH-CG 3.44Å; M164-H252 VanDerWaalsContact CE-NE2 3.26Å; M164-H252 WeakPolarHBondContact CE-NE2 3.45Å
165L94.8Very high94.4Very high23 Ų2374.5 Ų74.512%0.1238%0.38CS..  trans-80.6143.8169.2-80.9170.1000110.7V99 W102 Y163 M167 V169 R170V99-L165 HydrophobicContact CG2-CD1 4.17Å; W102-L165 HydrophobicContact CB-CD1 3.27Å; W102-L165 HydrophobicContact CB-CG 3.95Å; W102-L165 HydrophobicContact CD2-CB 4.34Å; W102-L165 HydrophobicContact CD2-CD1 3.63Å; W102-L165 HydrophobicContact CD2-CG 4.09Å; W102-L165 HydrophobicContact CE3-CD1 4.17Å; W102-L165 HydrophobicContact CG-CB 4.3Å; W102-L165 HydrophobicContact CG-CD1 3.26Å; W102-L165 HydrophobicContact CG-CG 3.59Å; Y163-L165 HydrophobicContact CE2-CG 4.49Å; L165-M167 PolarHBondContact O-N 3.41Å; L165-V169 HydrophobicContact CD2-CG1 4.38Å; L165-R170 HydrophobicContact CB-CG 3.79Å; L165-R170 HydrophobicContact CD1-CG 4.41Å; L165-R170 PolarHBondContact O-NE 2.93Å; L165-R170 VanDerWaalsContact O-NE 3.09Å
166P97.3Very high94.4Very high83 Ų8371.6 Ų71.654%0.53936%0.361SS..  trans-52.6140.3172.7-24.533.2000111.6K168 V169 R170P166-K168 VanDerWaalsContact C-N 3.26Å; P166-K168 PolarHBondContact O-N 3.09Å; P166-V169 HydrophobicContact CB-CB 4.49Å; P166-V169 HydrophobicContact CB-CG2 4.06Å; P166-V169 HydrophobicContact CG-CG2 4.22Å; P166-V169 PolarHBondContact O-N 3.21Å; P166-R170 PolarHBondContact O-N 3.06Å
167M95.6Very high94.4Very high143 Ų14366.7 Ų66.770%0.70435%0.346SS*.Hα-helixtrans-56.6-40.1-176.3-174.2176.171.300112.5L165 V169 R170 A171L165-M167 PolarHBondContact O-N 3.41Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-V169 PolarHBondContact O-N 3.28Å; M167-R170 PolarHBondContact O-N 3.23Å; M167-A171 PolarHBondContact O-N 2.86Å
168K95.9Very high94.9Very high180 Ų18067.5 Ų67.578%0.78335%0.348SS*.Hα-helixtrans-62.9-37.4178.4-64-176.3179.6-179.20112.6P166 L172P166-K168 VanDerWaalsContact C-N 3.26Å; P166-K168 PolarHBondContact O-N 3.09Å; K168-L172 VanDerWaalsContact O-CB 3.23Å; K168-L172 WeakPolarHBondContact O-CB 3.3Å; K168-L172 PolarHBondContact O-N 3.46Å
169V95.4Very high95Very high37 Ų3763.2 Ų63.222%0.22432%0.321CS..Hα-helixtrans-68-42177.61770000110.4I95 L165 P166 M167 L172 G173I95-V169 HydrophobicContact CG2-CG1 4.13Å; L165-V169 HydrophobicContact CD2-CG1 4.38Å; P166-V169 HydrophobicContact CB-CB 4.49Å; P166-V169 HydrophobicContact CB-CG2 4.06Å; P166-V169 HydrophobicContact CG-CG2 4.22Å; P166-V169 PolarHBondContact O-N 3.21Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-V169 PolarHBondContact O-N 3.28Å; V169-L172 PolarHBondContact O-N 3.18Å; V169-G173 PolarHBondContact O-N 3.43Å
170R94.1Very high94.9Very high36 Ų3662 Ų6214%0.13631%0.313CS..Hα-helixtrans-62.8-44.7176-71.9-173.2-73.6152.5-1112.4L165 P166 M167 G173 L174 W250L165-R170 HydrophobicContact CB-CG 3.79Å; L165-R170 HydrophobicContact CD1-CG 4.41Å; L165-R170 PolarHBondContact O-NE 2.93Å; L165-R170 VanDerWaalsContact O-NE 3.09Å; P166-R170 PolarHBondContact O-N 3.06Å; M167-R170 PolarHBondContact O-N 3.23Å; R170-G173 PolarHBondContact O-N 3.04Å; R170-L174 PolarHBondContact O-N 3.16Å; R170-W250 HydrophobicContact CB-CZ2 3.57Å; R170-W250 HydrophobicContact CG-CH2 4.25Å; R170-W250 HydrophobicContact CG-CZ2 3.66Å
171A94.3Very high94.8Very high48 Ų4858.8 Ų58.840%0.39729%0.288SS..Hα-helixtrans-65.7-41.2176.500000112M167 L174 K175M167-A171 PolarHBondContact O-N 2.86Å; A171-L174 PolarHBondContact O-N 3.06Å; A171-K175 PolarHBondContact O-N 2.97Å; A171-K175 VanDerWaalsContact O-N 3.15Å
172L95.1Very high94.8Very high49 Ų4955.5 Ų55.526%0.25728%0.277SS..Hα-helixtrans-63.8-41.1176.3-177.356.4000111.6T89 I95 K168 V169 L174 K175 V176T89-L172 HydrophobicContact CG2-CD1 3.99Å; I95-L172 HydrophobicContact CD1-CD2 3.33Å; I95-L172 HydrophobicContact CD1-CG 3.87Å; K168-L172 VanDerWaalsContact O-CB 3.23Å; K168-L172 WeakPolarHBondContact O-CB 3.3Å; K168-L172 PolarHBondContact O-N 3.46Å; V169-L172 PolarHBondContact O-N 3.18Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.24Å; L172-K175 PolarHBondContact O-N 2.67Å; L172-V176 HydrophobicContact CD1-CG2 4.28Å; L172-V176 HydrophobicContact CG-CG2 4.46Å; L172-V176 VanDerWaalsContact O-CG2 3.3Å; L172-V176 WeakPolarHBondContact O-CG2 2.99Å; L172-V176 PolarHBondContact O-N 2.99Å
173G93.3Very high94.7Very high3 Ų352.9 Ų52.93%0.03128%0.283CS..Hα-helixtrans-57.9-39174.500000113L96 V169 R170 V176 A177L96-G173 VanDerWaalsContact CD2-O 3.27Å; L96-G173 WeakPolarHBondContact CD2-O 3.45Å; V169-G173 PolarHBondContact O-N 3.43Å; R170-G173 PolarHBondContact O-N 3.04Å; G173-V176 PolarHBondContact O-N 2.86Å; G173-A177 WeakPolarHBondContact O-CB 3.34Å; G173-A177 PolarHBondContact O-N 3.5Å
174L93.6Very high94.5Very high53 Ų5353.5 Ų53.528%0.27729%0.29SS..Hα-helixtrans-65.5-44.6175.4-175.265.5000112.1R170 A171 L172 V176 A177 L178 F268R170-L174 PolarHBondContact O-N 3.16Å; A171-L174 PolarHBondContact O-N 3.06Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.24Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 PolarHBondContact O-N 3.34Å; L174-A177 WeakPolarHBondContact O-CB 3.14Å; L174-A177 PolarHBondContact O-N 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.24Å; L174-L178 PolarHBondContact O-N 3.02Å; L174-F268 HydrophobicContact CD1-CE1 3.74Å; L174-F268 HydrophobicContact CD1-CZ 3.84Å
175K94.6Very high94.4Very high72 Ų7256.4 Ų56.431%0.31331%0.307SS..Hα-helixtrans-59.4-43.8176-67.8176.6166-148.40112D85 V86 A171 L172 A177 L178 T179D85-K175 WeakPolarHBondContact O-CD 3.38Å; D85-K175 WeakPolarHBondContact O-CE 3.41Å; D85-K175 PolarHBondContact O-NZ 2.73Å; V86-K175 VanDerWaalsContact O-O 3.12Å; A171-K175 PolarHBondContact O-N 2.97Å; A171-K175 VanDerWaalsContact O-N 3.15Å; L172-K175 PolarHBondContact O-N 2.67Å; K175-A177 VanDerWaalsContact C-N 3.33Å; K175-A177 PolarHBondContact O-N 3.04Å; K175-L178 PolarHBondContact O-N 3.24Å; K175-T179 WeakPolarHBondContact O-CB 3.26Å; K175-T179 PolarHBondContact O-N 3.43Å; K175-T179 PolarHBondContact O-OG1 3.43Å
176V94.4Very high94.3Very high0 Ų057.4 Ų57.40%031%0.312CS..Hα-helixtrans-64.7-39.9177.4178.60000110.6T89 R92 L96 L172 G173 L174 T179 V180T89-V176 HydrophobicContact CG2-CG2 4.4Å; R92-V176 HydrophobicContact CB-CG2 4.12Å; L96-V176 HydrophobicContact CD1-CG1 3.72Å; L96-V176 HydrophobicContact CD2-CB 4.28Å; L96-V176 HydrophobicContact CD2-CG1 4.24Å; L96-V176 HydrophobicContact CG-CB 4.21Å; L96-V176 HydrophobicContact CG-CG1 3.7Å; L172-V176 HydrophobicContact CD1-CG2 4.28Å; L172-V176 HydrophobicContact CG-CG2 4.46Å; L172-V176 VanDerWaalsContact O-CG2 3.3Å; L172-V176 WeakPolarHBondContact O-CG2 2.99Å; L172-V176 PolarHBondContact O-N 2.99Å; G173-V176 PolarHBondContact O-N 2.86Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 PolarHBondContact O-N 3.34Å; V176-T179 PolarHBondContact O-N 2.76Å; V176-V180 HydrophobicContact CG1-CG2 4.27Å; V176-V180 WeakPolarHBondContact O-CB 3.36Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.21Å; V176-V180 PolarHBondContact O-N 3.08Å
177A93.1Very high94.2Very high16 Ų1654.1 Ų54.113%0.13229%0.29CS..Hα-helixtrans-61.7-46.5177.300000111.7L96 G173 L174 K175 V180 K181L96-A177 HydrophobicContact CD2-CB 3.77Å; G173-A177 WeakPolarHBondContact O-CB 3.34Å; G173-A177 PolarHBondContact O-N 3.5Å; L174-A177 WeakPolarHBondContact O-CB 3.14Å; L174-A177 PolarHBondContact O-N 3.25Å; K175-A177 VanDerWaalsContact C-N 3.33Å; K175-A177 PolarHBondContact O-N 3.04Å; A177-V180 PolarHBondContact O-N 3.38Å; A177-K181 WeakPolarHBondContact O-CG 3.48Å; A177-K181 PolarHBondContact O-N 3.4Å
178L94.3Very high94.1Very high25 Ų2548.8 Ų48.813%0.13126%0.263CS..Hα-helixtrans-63-41.6176.3-68.6174.5000112V86 F87 L174 K175 K181 L182 I279V86-L178 HydrophobicContact CG1-CD1 4.05Å; F87-L178 HydrophobicContact CD1-CB 4.14Å; F87-L178 HydrophobicContact CE1-CB 4.18Å; F87-L178 HydrophobicContact CE1-CD1 4.18Å; F87-L178 HydrophobicContact CE1-CD2 4.47Å; F87-L178 HydrophobicContact CZ-CD1 4.44Å; L174-L178 WeakPolarHBondContact O-CG 3.24Å; L174-L178 PolarHBondContact O-N 3.02Å; K175-L178 PolarHBondContact O-N 3.24Å; L178-K181 PolarHBondContact O-N 2.9Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 2.93Å; L178-I279 HydrophobicContact CD2-CD1 3.96Å
179T94.9Very high94Very high13 Ų1340.5 Ų40.58%0.0823%0.228CC..Hα-helixtrans-63.8-44.2177.7-57.30000111.6V86 F87 T89 K175 V176 K181 L182 A183V86-T179 PolarHBondContact O-OG1 3.06Å; F87-T179 WeakPolarHBondContact O-CA 3.24Å; F87-T179 WeakPolarHBondContact O-CB 3.19Å; F87-T179 VanDerWaalsContact O-CG2 3.28Å; F87-T179 WeakPolarHBondContact O-CG2 3.24Å; F87-T179 PolarHBondContact O-OG1 2.84Å; T89-T179 PolarHBondContact N-OG1 2.96Å; T89-T179 VanDerWaalsContact N-OG1 3.11Å; T89-T179 VanDerWaalsContact O-CG2 3.25Å; T89-T179 WeakPolarHBondContact O-CG2 3.29Å; K175-T179 WeakPolarHBondContact O-CB 3.26Å; K175-T179 PolarHBondContact O-N 3.43Å; K175-T179 PolarHBondContact O-OG1 3.43Å; V176-T179 PolarHBondContact O-N 2.76Å; T179-K181 VanDerWaalsContact C-N 3.33Å; T179-K181 PolarHBondContact O-N 3.42Å; T179-L182 PolarHBondContact O-N 3.35Å; T179-A183 VanDerWaalsContact O-CB 3.31Å; T179-A183 WeakPolarHBondContact O-CB 3.41Å; T179-A183 PolarHBondContact O-N 2.75Å
180V93.9Very high93.9Very high29 Ų2938.8 Ų38.818%0.17622%0.217CC..Hα-helixtrans-63.1-42.5178169.10000110.6P91 L96 V176 A177 A183 Q184P91-V180 HydrophobicContact CB-CG2 4.37Å; L96-V180 HydrophobicContact CD1-CG2 4.26Å; V176-V180 HydrophobicContact CG1-CG2 4.27Å; V176-V180 WeakPolarHBondContact O-CB 3.36Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.21Å; V176-V180 PolarHBondContact O-N 3.08Å; A177-V180 PolarHBondContact O-N 3.38Å; V180-A183 PolarHBondContact O-N 2.95Å; V180-Q184 HydrophobicContact CG1-CG 4.39Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.26Å; V180-Q184 PolarHBondContact O-N 3.5Å
181K93Very high93.6Very high20 Ų2039 Ų399%0.08722%0.221CC..Hα-helixtrans-64.4-40.2177.9-77-73170.3-1690113A177 L178 T179 Q184 D185 D186 L187 M274 K275A177-K181 WeakPolarHBondContact O-CG 3.48Å; A177-K181 PolarHBondContact O-N 3.4Å; L178-K181 PolarHBondContact O-N 2.9Å; T179-K181 VanDerWaalsContact C-N 3.33Å; T179-K181 PolarHBondContact O-N 3.42Å; K181-Q184 PolarHBondContact O-N 3.38Å; K181-D185 PolarHBondContact O-N 3.19Å; K181-D186 HydrophobicContact CD-CB 3.58Å; K181-D186 IonicContact NZ-OD2 2.75Å; K181-D186 PolarHBondContact NZ-OD2 3.45Å; K181-D186 PolarHBondContact O-N 3.44Å; K181-L187 HydrophobicContact CB-CB 4.18Å; K181-L187 PolarHBondContact O-N 3.48Å; K181-M274 PolarHBondContact NZ-O 3.03Å; K181-K275 PolarHBondContact NZ-O 2.75Å
182L94.4Very high93.3Very high27 Ų2737 Ų3714%0.14120%0.204CC..Hα-helixtrans-66.8-42.9174.2-176.561000112V62 A64 L82 F87 L178 T179 Q184 D185 L187V62-L182 HydrophobicContact CG1-CD2 3.83Å; A64-L182 HydrophobicContact CB-CD1 4.39Å; L82-L182 HydrophobicContact CD1-CD2 3.97Å; F87-L182 HydrophobicContact CB-CD2 3.84Å; F87-L182 HydrophobicContact CD1-CD2 4.4Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 2.93Å; T179-L182 PolarHBondContact O-N 3.35Å; L182-Q184 PolarHBondContact O-N 2.79Å; L182-D185 PolarHBondContact O-N 2.9Å; L182-L187 HydrophobicContact CB-CB 4.39Å; L182-L187 HydrophobicContact CB-CD2 3.97Å; L182-L187 HydrophobicContact CD1-CB 4.48Å; L182-L187 HydrophobicContact CD1-CD2 4.24Å
183A94Very high93.1Very high81 Ų8134.7 Ų34.767%0.66919%0.192SC*.Hα-helixtrans-70.2-16.1-179.900000114T179 V180T179-A183 VanDerWaalsContact O-CB 3.31Å; T179-A183 WeakPolarHBondContact O-CB 3.41Å; T179-A183 PolarHBondContact O-N 2.75Å; V180-A183 PolarHBondContact O-N 2.95Å
184Q93.4Very high92.9Very high109 Ų10938.1 Ų38.151%0.50921%0.207SC..THydrogen-bonded Turntrans-97.34.2176.2-71.8179.7-38.800113V180 K181 L182 D186V180-Q184 HydrophobicContact CG1-CG 4.39Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.26Å; V180-Q184 PolarHBondContact O-N 3.5Å; K181-Q184 PolarHBondContact O-N 3.38Å; L182-Q184 PolarHBondContact O-N 2.79Å; Q184-D186 HydrophobicContact CB-CB 4.42Å; Q184-D186 PolarHBondContact O-N 3.21Å
185D93Very high92.8Very high138 Ų13836.1 Ų36.174%0.73820%0.197SC*.THydrogen-bonded Turntrans58.823.1-174.1-56.2-43.3000114.1K181 L182K181-D185 PolarHBondContact O-N 3.19Å; L182-D185 PolarHBondContact O-N 2.9Å
186D93.4Very high92.6Very high44 Ų4436.2 Ų36.224%0.23521%0.205CC..  trans-93.6-8.7-179.2-85-13000112.5K181 Q184 K275 A276 Q277K181-D186 HydrophobicContact CD-CB 3.58Å; K181-D186 IonicContact NZ-OD2 2.75Å; K181-D186 PolarHBondContact NZ-OD2 3.45Å; K181-D186 PolarHBondContact O-N 3.44Å; Q184-D186 HydrophobicContact CB-CB 4.42Å; Q184-D186 PolarHBondContact O-N 3.21Å; D186-K275 WeakPolarHBondContact CB-O 3.47Å; D186-K275 VanDerWaalsContact OD2-O 3.07Å; D186-A276 CarbonylContact O-C 3.16Å; D186-A276 WeakPolarHBondContact O-CA 3.4Å; D186-Q277 PolarHBondContact O-N 2.9Å
187L93.8Very high92.4Very high14 Ų1439.3 Ų39.37%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-100.9116.3-177.2-17866.8000110.5F87 K181 L182 Q277 I279F87-L187 HydrophobicContact CD1-CD2 4.01Å; F87-L187 HydrophobicContact CE1-CD2 3.87Å; K181-L187 HydrophobicContact CB-CB 4.18Å; K181-L187 PolarHBondContact O-N 3.48Å; L182-L187 HydrophobicContact CB-CB 4.39Å; L182-L187 HydrophobicContact CB-CD2 3.97Å; L182-L187 HydrophobicContact CD1-CB 4.48Å; L182-L187 HydrophobicContact CD1-CD2 4.24Å; L187-Q277 WeakPolarHBondContact CA-O 3.16Å; L187-Q277 HydrophobicContact CD1-CB 4.36Å; L187-Q277 HydrophobicContact CD1-CG 4.47Å; L187-I279 HydrophobicContact CD1-CD1 3.63Å; L187-I279 HydrophobicContact CD1-CG1 3.88Å
188H94Very high92.3Very high31 Ų3139.2 Ų39.214%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-112.2135.5177.2-58.1-87.9000110.6E67 M190 W212 Q277 V278 I279E67-H188 IonicContact OE1-CE1 3.4Å; E67-H188 IonicContact OE1-CG 2.84Å; E67-H188 IonicContact OE1-ND1 3.81Å; E67-H188 PolarHBondContact OE1-ND1 2.92Å; H188-M190 HydrophobicContact CB-CE 3.55Å; H188-W212 AromaticContact CD2-CD1 3.71Å; H188-W212 AromaticContact CD2-NE1 3.66Å; H188-W212 AromaticContact CE1-CD1 3.5Å; H188-W212 VanDerWaalsContact CE1-CD1 3.5Å; H188-W212 AromaticContact CE1-NE1 3.35Å; H188-W212 PolarHBondContact CE1-NE1 3.32Å; H188-W212 VanDerWaalsContact CE1-NE1 3.35Å; H188-W212 AromaticContact CG-NE1 3.63Å; H188-W212 AromaticContact ND1-NE1 3.42Å; H188-W212 PolarHBondContact ND1-NE1 2.94Å; H188-W212 AromaticContact NE2-CD1 3.25Å; H188-W212 AromaticContact NE2-NE1 3.48Å; H188-W212 PolarHBondContact NE2-NE1 3.27Å; H188-Q277 PolarHBondContact N-O 3.02Å; H188-V278 HydrophobicContact CB-CG2 4.32Å; H188-V278 WeakPolarHBondContact O-CA 3.25Å; H188-I279 PolarHBondContact O-N 3.09Å
189I94.3Very high92.3Very high6 Ų642.1 Ų42.13%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-104.4129.1179.5-64.7-179.8000109A64 V66 E67 A80 L82 V281A64-I189 HydrophobicContact CB-CD1 3.58Å; A64-I189 HydrophobicContact CB-CG1 4.42Å; V66-I189 WeakPolarHBondContact CA-O 3.43Å; V66-I189 HydrophobicContact CG2-CG2 4.12Å; E67-I189 PolarHBondContact N-O 2.58Å; A80-I189 HydrophobicContact CB-CD1 4.44Å; L82-I189 HydrophobicContact CD1-CD1 3.95Å; L82-I189 HydrophobicContact CD2-CD1 3.77Å; L82-I189 HydrophobicContact CG-CD1 4.25Å; I189-V281 HydrophobicContact CG2-CB 4.03Å; I189-V281 HydrophobicContact CG2-CG2 3.45Å; I189-V281 VanDerWaalsContact CG2-CG2 3.45Å
190M92Very high92.3Very high0 Ų043 Ų430%025%0.246CC..EExtended strand (participates in β ladder)trans-113.2146.9178.7-57.1-67.8130.600111.4E67 L69 H188 L193 W212 V278 I279 V281E67-M190 HydrophobicContact CB-CE 3.54Å; E67-M190 HydrophobicContact CB-SD 3.82Å; E67-M190 HydrophobicContact CG-CE 3.62Å; E67-M190 WeakPolarHBondContact O-CA 3.46Å; E67-M190 WeakPolarHBondContact OE2-CE 3.32Å; L69-M190 HydrophobicContact CD2-SD 3.76Å; L69-M190 HydrophobicContact CG-SD 4.1Å; H188-M190 HydrophobicContact CB-CE 3.55Å; M190-L193 HydrophobicContact CB-CD2 4.2Å; M190-L193 HydrophobicContact CG-CD2 4.21Å; M190-W212 HydrophobicContact CE-CH2 4.15Å; M190-W212 HydrophobicContact CE-CZ2 3.82Å; M190-V278 HydrophobicContact CB-CG1 4.38Å; M190-V278 HydrophobicContact CE-CG1 3.96Å; M190-V278 HydrophobicContact CG-CG1 3.17Å; M190-V278 HydrophobicContact SD-CG1 4.12Å; M190-I279 PolarHBondContact N-O 2.93Å; M190-V281 PolarHBondContact O-N 2.92Å
191D88.8Confident92.3Very high40 Ų4047 Ų4721%0.21426%0.263CS..SBendtrans-72.3-45.3169.974.1-29000112V66 E67 S68V66-D191 HydrophobicContact CG1-CB 3.98Å; E67-D191 PolarHBondContact O-N 3.38Å; S68-D191 PolarHBondContact OG-OD1 3.26Å; S68-D191 VanDerWaalsContact OG-OD1 3.09Å
192S88.1Confident92.3Very high8 Ų847.5 Ų47.56%0.05626%0.264CS..  trans-150.7142.8-171.961.90000109.2E194S192-E194 PolarHBondContact O-N 2.6Å
193L89.9Confident92.2Very high0 Ų046.2 Ų46.20%026%0.258CS..  trans-93.728175.6-62.9177.7000111.8L69 M190 D220 P227 I230 L242 V278 R280L69-L193 HydrophobicContact CD1-CB 4.46Å; L69-L193 HydrophobicContact CD1-CD2 3.73Å; M190-L193 HydrophobicContact CB-CD2 4.2Å; M190-L193 HydrophobicContact CG-CD2 4.21Å; L193-D220 HydrophobicContact CD1-CB 3.83Å; L193-P227 HydrophobicContact CB-CG 4.47Å; L193-P227 WeakPolarHBondContact O-CG 3.42Å; L193-I230 HydrophobicContact CB-CG2 4.48Å; L193-I230 WeakPolarHBondContact O-CB 3.01Å; L193-L242 HydrophobicContact CD1-CD1 4.26Å; L193-V278 HydrophobicContact CD2-CG1 4.3Å; L193-R280 HydrophobicContact CD1-CB 3.87Å; L193-R280 HydrophobicContact CD1-CG 4.46Å; L193-R280 HydrophobicContact CD2-CB 4.35Å; L193-R280 HydrophobicContact CG-CB 3.8Å; L193-R280 HydrophobicContact CG-CG 4Å
194E89.6Confident92.2Very high74 Ų7444.2 Ų44.235%0.34624%0.238SC..  trans-82.3126178-73.3175.6-152.600110.3R70 S192 P227R70-E194 IonicContact CZ-OE2 2.88Å; R70-E194 IonicContact NH1-OE2 3.15Å; R70-E194 PolarHBondContact NH1-OE2 3.43Å; R70-E194 VanDerWaalsContact NH2-CD 3.34Å; R70-E194 IonicContact NH2-OE1 3.54Å; R70-E194 IonicContact NH2-OE2 2.8Å; R70-E194 PolarHBondContact NH2-OE2 3.14Å; S192-E194 PolarHBondContact O-N 2.6Å; E194-P227 HydrophobicContact CG-CB 4.08Å; E194-P227 HydrophobicContact CG-CG 4.15Å
195L91.1Very high92.3Very high11 Ų1143.4 Ų43.46%0.05823%0.234CC..  trans-97.2147.5172.5-61.6177.5000110.1L69 T197 Y202 L203 I230 A233L69-L195 HydrophobicContact CB-CD2 3.8Å; L69-L195 HydrophobicContact CD1-CD2 4.12Å; L195-T197 WeakPolarHBondContact CB-O 3.46Å; L195-T197 PolarHBondContact O-N 3.15Å; L195-Y202 HydrophobicContact CD2-CD1 4.16Å; L195-Y202 HydrophobicContact CD2-CE1 3.96Å; L195-L203 HydrophobicContact CD1-CD1 4.42Å; L195-L203 HydrophobicContact CD2-CD1 4.13Å; L195-I230 HydrophobicContact CD1-CB 4.47Å; L195-I230 HydrophobicContact CD1-CD1 3.52Å; L195-I230 HydrophobicContact CD2-CD1 4.26Å; L195-I230 HydrophobicContact CG-CD1 3.87Å; L195-A233 HydrophobicContact CD1-CB 3.8Å
196P91.1Very high92.3Very high75 Ų7536.9 Ų36.949%0.48720%0.199SC..SBendtrans-67.9-28.2173.830.9-34.7000111.5R70 Y202R70-P196 WeakPolarHBondContact O-CG 3.21Å; P196-Y202 HydrophobicContact CG-CD1 4.5Å; P196-Y202 HydrophobicContact CG-CD2 4.48Å; P196-Y202 HydrophobicContact CG-CE1 3.86Å; P196-Y202 HydrophobicContact CG-CE2 3.81Å; P196-Y202 VanDerWaalsContact CG-CZ 3.48Å
197T90.5Very high92.3Very high64 Ų6434.9 Ų34.939%0.39319%0.188SC..SBendtrans-139.7141.9-179.7-47.90000109.2L195 D199L195-T197 WeakPolarHBondContact CB-O 3.46Å; L195-T197 PolarHBondContact O-N 3.15Å; T197-D199 HydrophobicContact CG2-CB 3.98Å; T197-D199 WeakPolarHBondContact CG2-OD2 3.48Å; T197-D199 PolarHBondContact O-N 2.99Å; T197-D199 VanDerWaalsContact O-N 3.13Å
198G91.5Very high92.2Very high15 Ų1541.7 Ų41.716%0.15522%0.22CC..  trans-76.315.917700000114.3
199D93.3Very high92.3Very high86 Ų8645.9 Ų45.946%0.4624%0.235SC..  trans-82.1129.1-174.6-73.2-25.1000111.1T197 Q201 Y202T197-D199 HydrophobicContact CG2-CB 3.98Å; T197-D199 WeakPolarHBondContact CG2-OD2 3.48Å; T197-D199 PolarHBondContact O-N 2.99Å; T197-D199 VanDerWaalsContact O-N 3.13Å; D199-Q201 PolarHBondContact O-N 3.11Å; D199-Y202 WeakPolarHBondContact O-CB 3.12Å; D199-Y202 PolarHBondContact O-N 3Å
200P94.6Very high92.2Very high30 Ų3046.6 Ų46.620%0.19524%0.237CC..Hα-helixtrans-65.4-27.4179.526.3-34.2000112.3Y202 L203 T204 R236 L237P200-Y202 VanDerWaalsContact C-N 3.35Å; P200-L203 PolarHBondContact O-N 2.79Å; P200-T204 PolarHBondContact O-N 3.49Å; P200-T204 PolarHBondContact O-OG1 3.13Å; P200-R236 HydrophobicContact CB-CB 4.47Å; P200-R236 HydrophobicContact CG-CB 4.49Å; P200-L237 HydrophobicContact CB-CD1 3.92Å; P200-L237 HydrophobicContact CB-CD2 3.98Å; P200-L237 HydrophobicContact CB-CG 3.83Å
201Q94.1Very high92.2Very high115 Ų11557.3 Ų57.354%0.53728%0.277SS..Hα-helixtrans-67.1-36.2178.8-173.86415.800112D199 L203 T204 E205D199-Q201 PolarHBondContact O-N 3.11Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 3.37Å; Q201-T204 WeakPolarHBondContact CA-OG1 3.42Å; Q201-T204 PolarHBondContact O-N 3.44Å; Q201-T204 PolarHBondContact O-OG1 3.15Å; Q201-E205 HydrophobicContact CG-CG 4.44Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.16Å; Q201-E205 PolarHBondContact NE2-OE1 3.19Å; Q201-E205 WeakPolarHBondContact O-CB 3.32Å; Q201-E205 VanDerWaalsContact O-CG 3.32Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 2.91Å
202Y93.8Very high92.3Very high29 Ų2955.7 Ų55.711%0.11427%0.269CS..Hα-helixtrans-59.7-45.1174.9176.6-92.3000111L69 R70 F72 L195 P196 D199 P200 T204 E205 L206L69-Y202 PolarHBondContact O-OH 2.73Å; R70-Y202 PolarHBondContact O-OH 3.46Å; F72-Y202 HydrophobicContact CD2-CE2 4.22Å; F72-Y202 HydrophobicContact CE1-CD2 4.33Å; F72-Y202 HydrophobicContact CE1-CE2 4.1Å; F72-Y202 AromaticContact CE2-CD2 3.98Å; F72-Y202 HydrophobicContact CE2-CD2 3.98Å; F72-Y202 AromaticContact CE2-CE2 3.43Å; F72-Y202 HydrophobicContact CE2-CE2 3.43Å; F72-Y202 VanDerWaalsContact CE2-CE2 3.43Å; F72-Y202 AromaticContact CZ-CD2 3.53Å; F72-Y202 HydrophobicContact CZ-CD2 3.53Å; F72-Y202 AromaticContact CZ-CE2 3.36Å; F72-Y202 HydrophobicContact CZ-CE2 3.36Å; L195-Y202 HydrophobicContact CD2-CD1 4.16Å; L195-Y202 HydrophobicContact CD2-CE1 3.96Å; P196-Y202 HydrophobicContact CG-CD1 4.5Å; P196-Y202 HydrophobicContact CG-CD2 4.48Å; P196-Y202 HydrophobicContact CG-CE1 3.86Å; P196-Y202 HydrophobicContact CG-CE2 3.81Å; P196-Y202 VanDerWaalsContact CG-CZ 3.48Å; D199-Y202 WeakPolarHBondContact O-CB 3.12Å; D199-Y202 PolarHBondContact O-N 3Å; P200-Y202 VanDerWaalsContact C-N 3.35Å; Y202-T204 PolarHBondContact O-N 3.16Å; Y202-E205 PolarHBondContact O-N 3Å; Y202-L206 HydrophobicContact CE1-CD1 3.82Å; Y202-L206 VanDerWaalsContact O-CB 3.26Å; Y202-L206 WeakPolarHBondContact O-CB 3.44Å; Y202-L206 PolarHBondContact O-N 3.39Å
203L93Very high92.4Very high1 Ų156.7 Ų56.71%0.00528%0.28CS..Hα-helixtrans-66.8-38.4-178.8-169.471.3000112.4L195 P200 Q201 A207 I230 T234 L237 F240L195-L203 HydrophobicContact CD1-CD1 4.42Å; L195-L203 HydrophobicContact CD2-CD1 4.13Å; P200-L203 PolarHBondContact O-N 2.79Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 3.37Å; L203-A207 WeakPolarHBondContact O-CB 3.34Å; L203-A207 PolarHBondContact O-N 3.5Å; L203-A207 VanDerWaalsContact O-N 3.08Å; L203-I230 HydrophobicContact CD1-CD1 4.11Å; L203-I230 HydrophobicContact CD2-CD1 4.28Å; L203-T234 HydrophobicContact CD2-CG2 4.04Å; L203-L237 HydrophobicContact CD2-CD1 4.07Å; L203-F240 HydrophobicContact CD2-CB 4.1Å; L203-F240 HydrophobicContact CD2-CD1 3.6Å; L203-F240 HydrophobicContact CD2-CD2 4.49Å; L203-F240 HydrophobicContact CD2-CE1 4.16Å; L203-F240 HydrophobicContact CD2-CG 3.8Å; L203-F240 HydrophobicContact CG-CD1 3.96Å; L203-F240 HydrophobicContact CG-CE1 3.99Å; L203-F240 HydrophobicContact CG-CG 4.47Å
204T93.8Very high92.3Very high39 Ų3962.1 Ų62.124%0.23931%0.309CS..Hα-helixtrans-69-42.5177.4520000111.7P200 Q201 Y202 A207 H208 L237 F240P200-T204 PolarHBondContact O-N 3.49Å; P200-T204 PolarHBondContact O-OG1 3.13Å; Q201-T204 WeakPolarHBondContact CA-OG1 3.42Å; Q201-T204 PolarHBondContact O-N 3.44Å; Q201-T204 PolarHBondContact O-OG1 3.15Å; Y202-T204 PolarHBondContact O-N 3.16Å; T204-A207 PolarHBondContact O-N 3.26Å; T204-H208 WeakPolarHBondContact O-CB 3.21Å; T204-H208 PolarHBondContact O-N 3.34Å; T204-L237 HydrophobicContact CG2-CD1 4.03Å; T204-L237 HydrophobicContact CG2-CD2 4.04Å; T204-F240 HydrophobicContact CG2-CE2 3.96Å
205E94.3Very high92.4Very high92 Ų9259.8 Ų59.843%0.4330%0.301SS..Hα-helixtrans-64.5-42.2176.1-73.2174.4-173.200111.7F72 Q201 Y202 A207 H208 Y209F72-E205 HydrophobicContact CE1-CB 4.16Å; Q201-E205 HydrophobicContact CG-CG 4.44Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.16Å; Q201-E205 PolarHBondContact NE2-OE1 3.19Å; Q201-E205 WeakPolarHBondContact O-CB 3.32Å; Q201-E205 VanDerWaalsContact O-CG 3.32Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 2.91Å; Y202-E205 PolarHBondContact O-N 3Å; E205-A207 PolarHBondContact O-N 3.46Å; E205-H208 PolarHBondContact O-N 3.43Å; E205-Y209 WeakPolarHBondContact O-CB 3.21Å; E205-Y209 PolarHBondContact O-N 3.11Å
206L93.3Very high92.5Very high0 Ų059.3 Ų59.30%030%0.298CS..Hα-helixtrans-61.1-45.7176.4-176.6145.7000111.6L69 F72 Y202 H208 Y209 R210 W212L69-L206 HydrophobicContact CD2-CD2 4.16Å; F72-L206 HydrophobicContact CD1-CB 4.13Å; F72-L206 HydrophobicContact CD1-CG 4.49Å; F72-L206 HydrophobicContact CE1-CB 4.03Å; Y202-L206 HydrophobicContact CE1-CD1 3.82Å; Y202-L206 VanDerWaalsContact O-CB 3.26Å; Y202-L206 WeakPolarHBondContact O-CB 3.44Å; Y202-L206 PolarHBondContact O-N 3.39Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.4Å; L206-Y209 PolarHBondContact O-N 3.26Å; L206-R210 PolarHBondContact O-N 3.4Å; L206-W212 HydrophobicContact CD2-CE3 4.24Å; L206-W212 HydrophobicContact CD2-CH2 3.49Å; L206-W212 VanDerWaalsContact CD2-CH2 3.49Å; L206-W212 HydrophobicContact CD2-CZ2 4.31Å; L206-W212 HydrophobicContact CD2-CZ3 3.44Å; L206-W212 VanDerWaalsContact CD2-CZ3 3.44Å
207A92.7Very high92.6Very high2 Ų256 Ų562%0.01728%0.277CS..Hα-helixtrans-65.3-34.7177.500000112.8L203 T204 E205 R211 W212 F240L203-A207 WeakPolarHBondContact O-CB 3.34Å; L203-A207 PolarHBondContact O-N 3.5Å; L203-A207 VanDerWaalsContact O-N 3.08Å; T204-A207 PolarHBondContact O-N 3.26Å; E205-A207 PolarHBondContact O-N 3.46Å; A207-R211 PolarHBondContact O-N 2.82Å; A207-W212 HydrophobicContact CB-CB 4.45Å; A207-W212 HydrophobicContact CB-CE3 3.98Å; A207-W212 PolarHBondContact O-N 3.13Å; A207-F240 HydrophobicContact CB-CE1 3.84Å; A207-F240 HydrophobicContact CB-CZ 3.51Å
208H93.4Very high92.7Very high158 Ų15853 Ų5373%0.73126%0.258SS*.Hα-helixtrans-69.2-43.9175.1-177.6-87.2000111.5T204 E205 L206 R211T204-H208 WeakPolarHBondContact O-CB 3.21Å; T204-H208 PolarHBondContact O-N 3.34Å; E205-H208 PolarHBondContact O-N 3.43Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.4Å; H208-R211 PolarHBondContact O-N 3.17Å
209Y94.4Very high92.7Very high119 Ų11952.7 Ų52.747%0.46725%0.253SS..Hα-helixtrans-59.2-48.9176.9-179-94000111.5F72 E205 L206 R211F72-Y209 HydrophobicContact CB-CD1 4.46Å; E205-Y209 WeakPolarHBondContact O-CB 3.21Å; E205-Y209 PolarHBondContact O-N 3.11Å; L206-Y209 PolarHBondContact O-N 3.26Å; Y209-R211 VanDerWaalsContact C-N 3.25Å; Y209-R211 PolarHBondContact O-N 3.39Å
210R92.6Very high92.6Very high21 Ų2148.7 Ų48.78%0.07923%0.232CC..THydrogen-bonded Turntrans-79-3178.9-63.7-171.6-177-179.29.2114.8E67 S68 G71 F72 Q74 L206 W212E67-R210 IonicContact OE2-CZ 3.6Å; E67-R210 IonicContact OE2-NH1 3.81Å; E67-R210 PolarHBondContact OE2-NH1 3.11Å; S68-R210 PolarHBondContact O-NH1 3.34Å; S68-R210 VanDerWaalsContact O-NH1 3.12Å; S68-R210 PolarHBondContact O-NH2 2.97Å; G71-R210 PolarHBondContact O-NH2 3.08Å; F72-R210 PolarHBondContact O-NE 3.4Å; Q74-R210 PolarHBondContact O-NH2 3.25Å; L206-R210 PolarHBondContact O-N 3.4Å; R210-W212 VanDerWaalsContact C-N 3.3Å; R210-W212 HydrophobicContact CB-CD2 4.23Å; R210-W212 HydrophobicContact CB-CG 4.24Å; R210-W212 HydrophobicContact CB-CZ2 4.43Å; R210-W212 VanDerWaalsContact CD-CZ2 3.45Å; R210-W212 PolarHBondContact O-N 3.1Å
211R92.9Very high92.3Very high224 Ų22450 Ų5085%0.84524%0.237SC*.THydrogen-bonded Turntrans58.634.3178.2-52.3-179.4178.6-173.2-0.8114.5A207 H208 Y209 G213A207-R211 PolarHBondContact O-N 2.82Å; H208-R211 PolarHBondContact O-N 3.17Å; Y209-R211 VanDerWaalsContact C-N 3.25Å; Y209-R211 PolarHBondContact O-N 3.39Å; R211-G213 PolarHBondContact O-N 3.42Å; R211-G213 VanDerWaalsContact O-N 3.16Å
212W90.7Very high91.9Very high7 Ų746.6 Ų46.63%0.02722%0.224CC..  trans-66.5-13.5175.2-67.7-14.1000113.8E67 L69 H188 M190 L206 A207 R210 V216 A276 V278E67-W212 WeakPolarHBondContact OE2-CZ2 3.34Å; L69-W212 HydrophobicContact CD2-CH2 3.53Å; L69-W212 HydrophobicContact CD2-CZ3 4.12Å; H188-W212 AromaticContact CD2-CD1 3.71Å; H188-W212 AromaticContact CD2-NE1 3.66Å; H188-W212 AromaticContact CE1-CD1 3.5Å; H188-W212 VanDerWaalsContact CE1-CD1 3.5Å; H188-W212 AromaticContact CE1-NE1 3.35Å; H188-W212 PolarHBondContact CE1-NE1 3.32Å; H188-W212 VanDerWaalsContact CE1-NE1 3.35Å; H188-W212 AromaticContact CG-NE1 3.63Å; H188-W212 AromaticContact ND1-NE1 3.42Å; H188-W212 PolarHBondContact ND1-NE1 2.94Å; H188-W212 AromaticContact NE2-CD1 3.25Å; H188-W212 AromaticContact NE2-NE1 3.48Å; H188-W212 PolarHBondContact NE2-NE1 3.27Å; M190-W212 HydrophobicContact CE-CH2 4.15Å; M190-W212 HydrophobicContact CE-CZ2 3.82Å; L206-W212 HydrophobicContact CD2-CE3 4.24Å; L206-W212 HydrophobicContact CD2-CH2 3.49Å; L206-W212 VanDerWaalsContact CD2-CH2 3.49Å; L206-W212 HydrophobicContact CD2-CZ2 4.31Å; L206-W212 HydrophobicContact CD2-CZ3 3.44Å; L206-W212 VanDerWaalsContact CD2-CZ3 3.44Å; A207-W212 HydrophobicContact CB-CB 4.45Å; A207-W212 HydrophobicContact CB-CE3 3.98Å; A207-W212 PolarHBondContact O-N 3.13Å; R210-W212 VanDerWaalsContact C-N 3.3Å; R210-W212 HydrophobicContact CB-CD2 4.23Å; R210-W212 HydrophobicContact CB-CG 4.24Å; R210-W212 HydrophobicContact CB-CZ2 4.43Å; R210-W212 VanDerWaalsContact CD-CZ2 3.45Å; R210-W212 PolarHBondContact O-N 3.1Å; W212-V216 HydrophobicContact CB-CG2 4.17Å; W212-V216 HydrophobicContact CE3-CG1 4.43Å; W212-A276 HydrophobicContact CB-CB 3.7Å; W212-A276 HydrophobicContact CG-CB 4.22Å; W212-A276 VanDerWaalsContact O-CB 3.26Å; W212-A276 WeakPolarHBondContact O-CB 3.42Å; W212-A276 PolarHBondContact O-N 2.87Å; W212-V278 HydrophobicContact CE3-CG2 4.26Å; W212-V278 HydrophobicContact CH2-CG2 4.28Å; W212-V278 HydrophobicContact CZ3-CG2 4.12Å
213G90.1Very high91.4Very high28 Ų2851.2 Ų51.229%0.28925%0.246SC..  trans88.3-172.1-179.500000113.4R211 S215R211-G213 PolarHBondContact O-N 3.42Å; R211-G213 VanDerWaalsContact O-N 3.16Å; G213-S215 VanDerWaalsContact C-N 3.34Å; G213-S215 PolarHBondContact O-N 2.74Å
214D88.4Confident91.1Very high114 Ų11458.7 Ų58.761%0.6128%0.281SS*.SBendtrans-75.3-21.3-163.7-47.1-61.2000114.5T239 K275D214-T239 WeakPolarHBondContact O-CB 3.34Å; D214-T239 WeakPolarHBondContact O-CG2 3.42Å; D214-K275 IonicContact OD2-NZ 3.82Å; D214-K275 PolarHBondContact OD2-NZ 2.88Å
215S91.6Very high90.8Very high26 Ų2662.9 Ų62.918%0.18230%0.298CS..  trans-140.2128.5-17265.10000110.1G213 M274 K275 A276G213-S215 VanDerWaalsContact C-N 3.34Å; G213-S215 PolarHBondContact O-N 2.74Å; S215-M274 WeakPolarHBondContact OG-CA 3.17Å; S215-K275 PolarHBondContact O-N 3.33Å; S215-K275 PolarHBondContact OG-N 3.39Å; S215-A276 PolarHBondContact O-N 3.15Å
216V92.9Very high90.4Very high0 Ų059.7 Ų59.70%028%0.283CS..EExtended strand (participates in β ladder)trans-131.4133.7-172.2-1730000109.7W212 L218 T239 F240 N241 A276 V278W212-V216 HydrophobicContact CB-CG2 4.17Å; W212-V216 HydrophobicContact CE3-CG1 4.43Å; V216-L218 HydrophobicContact CG1-CD2 3.9Å; V216-T239 PolarHBondContact N-O 3.19Å; V216-T239 VanDerWaalsContact N-O 3.15Å; V216-F240 HydrophobicContact CB-CD1 3.64Å; V216-F240 HydrophobicContact CB-CE1 3.61Å; V216-F240 HydrophobicContact CB-CZ 4.47Å; V216-F240 HydrophobicContact CG1-CD1 4.37Å; V216-F240 HydrophobicContact CG1-CE1 4.35Å; V216-F240 HydrophobicContact CG2-CD1 4.03Å; V216-F240 HydrophobicContact CG2-CE1 3.45Å; V216-F240 VanDerWaalsContact CG2-CE1 3.45Å; V216-F240 HydrophobicContact CG2-CZ 3.96Å; V216-F240 WeakPolarHBondContact O-CA 3.46Å; V216-N241 PolarHBondContact O-N 3.32Å; V216-N241 VanDerWaalsContact O-N 3.17Å; V216-A276 WeakPolarHBondContact CA-O 3.46Å; V216-A276 HydrophobicContact CG1-CB 4.23Å; V216-A276 HydrophobicContact CG2-CB 4.26Å; V216-V278 HydrophobicContact CG1-CB 4.41Å; V216-V278 HydrophobicContact CG1-CG2 3.54Å
217L92.9Very high90.3Very high7 Ų760.7 Ų60.74%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-101119.1171.8-177.158.8000110.2V219 N241 I243 M274 A276 Q277 V278L217-V219 HydrophobicContact CD2-CG2 4.32Å; L217-V219 HydrophobicContact CG-CG2 4.08Å; L217-N241 HydrophobicContact CD1-CB 4.18Å; L217-I243 HydrophobicContact CD1-CB 4.41Å; L217-I243 HydrophobicContact CD1-CD1 3.65Å; L217-I243 HydrophobicContact CD1-CG1 3.87Å; L217-M274 HydrophobicContact CB-SD 3.55Å; L217-M274 VanDerWaalsContact CB-SD 3.55Å; L217-M274 HydrophobicContact CD1-SD 4.22Å; L217-M274 HydrophobicContact CG-SD 4.36Å; L217-A276 PolarHBondContact N-O 3.04Å; L217-Q277 HydrophobicContact CB-CG 4.2Å; L217-Q277 HydrophobicContact CD2-CG 4.23Å; L217-Q277 HydrophobicContact CG-CG 4.42Å; L217-V278 PolarHBondContact O-N 3.47Å
218L92.1Very high90.2Very high1 Ų168 Ų681%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-96.9128.9172.6-51.5-177000109.7V216 I230 T234 N241 L242 I243 V278V216-L218 HydrophobicContact CG1-CD2 3.9Å; L218-I230 HydrophobicContact CD1-CD1 3.62Å; L218-I230 HydrophobicContact CD1-CG1 3.77Å; L218-T234 HydrophobicContact CD1-CG2 3.72Å; L218-N241 PolarHBondContact N-O 3.24Å; L218-L242 HydrophobicContact CB-CD1 3.71Å; L218-I243 PolarHBondContact O-N 2.95Å; L218-V278 WeakPolarHBondContact CA-O 3.19Å; L218-V278 HydrophobicContact CD2-CB 3.56Å; L218-V278 HydrophobicContact CD2-CG1 3.94Å; L218-V278 HydrophobicContact CD2-CG2 3.9Å
219V91.9Very high90.1Very high8 Ų862.3 Ų62.35%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-119.2116.8177.3-172.80000110.4L217 I243 A245 T248 V278 I279 R280L217-V219 HydrophobicContact CD2-CG2 4.32Å; L217-V219 HydrophobicContact CG-CG2 4.08Å; V219-I243 VanDerWaalsContact CA-O 3.3Å; V219-I243 WeakPolarHBondContact CA-O 3.25Å; V219-A245 HydrophobicContact CG1-CB 4.13Å; V219-T248 HydrophobicContact CG1-CG2 4.45Å; V219-V278 PolarHBondContact N-O 3.05Å; V219-I279 HydrophobicContact CB-CG1 4.38Å; V219-I279 HydrophobicContact CG2-CG1 4.48Å; V219-R280 WeakPolarHBondContact O-CB 3.19Å; V219-R280 PolarHBondContact O-N 2.96Å
220D90.6Very high90Very high1 Ų156.6 Ų56.61%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-105166.4171.8-152.4-18.5000110.8L193 M226 L242 I243 P244 A245 R280L193-D220 HydrophobicContact CD1-CB 3.83Å; D220-M226 HydrophobicContact CB-CE 3.88Å; D220-M226 HydrophobicContact CB-CG 4.13Å; D220-L242 HydrophobicContact CB-CD1 4.49Å; D220-I243 PolarHBondContact N-O 3.03Å; D220-I243 VanDerWaalsContact N-O 3.15Å; D220-P244 CarbonylContact O-C 3.55Å; D220-P244 VanDerWaalsContact O-C 3.31Å; D220-P244 WeakPolarHBondContact O-CA 3.26Å; D220-A245 WeakPolarHBondContact O-CA 3.44Å; D220-A245 VanDerWaalsContact O-CB 3.3Å; D220-A245 WeakPolarHBondContact O-CB 3.39Å; D220-A245 PolarHBondContact O-N 2.68Å; D220-R280 WeakPolarHBondContact OD1-CD 3.41Å; D220-R280 IonicContact OD1-CZ 3.42Å; D220-R280 IonicContact OD1-NE 2.79Å; D220-R280 IonicContact OD1-NH1 3.76Å; D220-R280 PolarHBondContact OD1-NH1 3.03Å; D220-R280 VanDerWaalsContact OD1-NH1 3.11Å; D220-R280 IonicContact OD2-NH1 3.44Å; D220-R280 PolarHBondContact OD2-NH1 2.94Å
221L87.9Confident90.1Very high59 Ų5958.5 Ų58.531%0.30929%0.293SS..SBendtrans-74-57.6-174.1-59.7158.5000112.4A245 A282L221-A245 PolarHBondContact O-N 3.22Å; L221-A282 HydrophobicContact CD1-CB 3.18Å; L221-A282 HydrophobicContact CD2-CB 3.96Å; L221-A282 HydrophobicContact CG-CB 4.14Å
222T86.7Confident90.1Very high43 Ų4352.3 Ų52.326%0.26427%0.274SS..  trans-118160.1-175.360.40000108.8E225 M226T222-E225 VanDerWaalsContact OG1-CB 3.24Å; T222-E225 WeakPolarHBondContact OG1-CB 3.38Å; T222-E225 VanDerWaalsContact OG1-CD 3.27Å; T222-E225 VanDerWaalsContact OG1-CG 3.26Å; T222-E225 WeakPolarHBondContact OG1-CG 3.33Å; T222-E225 PolarHBondContact OG1-N 2.86Å; T222-E225 PolarHBondContact OG1-OE2 3.24Å; T222-M226 WeakPolarHBondContact O-CG 3.44Å
223H84.1Confident90.2Very high125 Ų12552 Ų5258%0.57927%0.272SS*.SBendtrans-84.2-30.9178.4178.9-89.9000111.1
224E85.8Confident90.3Very high158 Ų15851.2 Ų51.274%0.73826%0.262SS*.THydrogen-bonded Turntrans-75.2-30.4-175.1-63.171.4-158.400112.6
225E86.8Confident90.5Very high128 Ų12850 Ų5060%0.59826%0.263SS*.THydrogen-bonded Turntrans-95.414.7-177.9-53.9167.2153.200113T222T222-E225 VanDerWaalsContact OG1-CB 3.24Å; T222-E225 WeakPolarHBondContact OG1-CB 3.38Å; T222-E225 VanDerWaalsContact OG1-CD 3.27Å; T222-E225 VanDerWaalsContact OG1-CG 3.26Å; T222-E225 WeakPolarHBondContact OG1-CG 3.33Å; T222-E225 PolarHBondContact OG1-N 2.86Å; T222-E225 PolarHBondContact OG1-OE2 3.24Å
226M87.1Confident90.6Very high25 Ų2556.1 Ų56.112%0.12328%0.282CS..  trans-71.9126.4176.7-69.7-178.2174.700110.2D220 T222 V231 L242 P244D220-M226 HydrophobicContact CB-CE 3.88Å; D220-M226 HydrophobicContact CB-CG 4.13Å; T222-M226 WeakPolarHBondContact O-CG 3.44Å; M226-V231 HydrophobicContact CB-CG2 3.87Å; M226-L242 HydrophobicContact CE-CD1 4.45Å; M226-L242 HydrophobicContact CE-CD2 4.43Å; M226-L242 HydrophobicContact CE-CG 4.11Å; M226-L242 HydrophobicContact CG-CD2 4.46Å; M226-L242 HydrophobicContact SD-CD2 3.63Å; M226-L242 HydrophobicContact SD-CG 3.96Å; M226-P244 HydrophobicContact CE-CB 3.89Å; M226-P244 HydrophobicContact CE-CG 4.47Å
227P90.2Very high90.5Very high21 Ų2157.9 Ų57.914%0.13629%0.291CS..  trans-66.6139.9-179.922.4-26.9000110.9L193 E194 S229 I230 V231L193-P227 HydrophobicContact CB-CG 4.47Å; L193-P227 WeakPolarHBondContact O-CG 3.42Å; E194-P227 HydrophobicContact CG-CB 4.08Å; E194-P227 HydrophobicContact CG-CG 4.15Å; P227-S229 PolarHBondContact O-N 3.2Å; P227-I230 HydrophobicContact CG-CB 4.49Å; P227-I230 HydrophobicContact CG-CG2 3.73Å; P227-I230 WeakPolarHBondContact O-CG2 3.24Å; P227-I230 PolarHBondContact O-N 3.01Å; P227-V231 WeakPolarHBondContact O-CG2 3.22Å; P227-V231 PolarHBondContact O-N 3.27Å
228Q91.4Very high90.4Very high155 Ų15567 Ų6772%0.72433%0.331SS*.Hα-helixtrans-58.7-36.4-177-68.9179.1-13.400112.1I230 V231 E232Q228-I230 VanDerWaalsContact C-N 3.35Å; Q228-I230 PolarHBondContact O-N 3.49Å; Q228-V231 PolarHBondContact O-N 3.25Å; Q228-E232 WeakPolarHBondContact O-CG 3.3Å; Q228-E232 PolarHBondContact O-N 3.41Å
229S91.9Very high90.3Very high38 Ų3869.9 Ų69.927%0.26635%0.348SS..Hα-helixtrans-54.5-46.6-179.9-21.10000112.7P227 A233P227-S229 PolarHBondContact O-N 3.2Å; S229-A233 WeakPolarHBondContact O-CB 3.2Å; S229-A233 PolarHBondContact O-N 2.84Å
230I92.6Very high90.4Very high0 Ų069.9 Ų69.90%035%0.348CS..Hα-helixtrans-76.6-33.8-178.5-164.661.5000111.8L193 L195 L203 L218 P227 Q228 T234 L242L193-I230 HydrophobicContact CB-CG2 4.48Å; L193-I230 WeakPolarHBondContact O-CB 3.01Å; L195-I230 HydrophobicContact CD1-CB 4.47Å; L195-I230 HydrophobicContact CD1-CD1 3.52Å; L195-I230 HydrophobicContact CD2-CD1 4.26Å; L195-I230 HydrophobicContact CG-CD1 3.87Å; L203-I230 HydrophobicContact CD1-CD1 4.11Å; L203-I230 HydrophobicContact CD2-CD1 4.28Å; L218-I230 HydrophobicContact CD1-CD1 3.62Å; L218-I230 HydrophobicContact CD1-CG1 3.77Å; P227-I230 HydrophobicContact CG-CB 4.49Å; P227-I230 HydrophobicContact CG-CG2 3.73Å; P227-I230 WeakPolarHBondContact O-CG2 3.24Å; P227-I230 PolarHBondContact O-N 3.01Å; Q228-I230 VanDerWaalsContact C-N 3.35Å; Q228-I230 PolarHBondContact O-N 3.49Å; I230-T234 HydrophobicContact CD1-CG2 3.96Å; I230-T234 HydrophobicContact CG1-CG2 3.99Å; I230-T234 VanDerWaalsContact O-CB 3.3Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 WeakPolarHBondContact O-CG2 3.47Å; I230-T234 PolarHBondContact O-N 3.26Å; I230-T234 PolarHBondContact O-OG1 3.12Å; I230-L242 HydrophobicContact CG2-CD2 3.97Å
231V93.4Very high90.4Very high61 Ų6172.6 Ų72.637%0.3736%0.362SS..Hα-helixtrans-64.2-45.6177.7176.40000110.1M226 P227 Q228 T234 S235 L242M226-V231 HydrophobicContact CB-CG2 3.87Å; P227-V231 WeakPolarHBondContact O-CG2 3.22Å; P227-V231 PolarHBondContact O-N 3.27Å; Q228-V231 PolarHBondContact O-N 3.25Å; V231-T234 PolarHBondContact O-OG1 3.49Å; V231-S235 WeakPolarHBondContact O-CB 3.21Å; V231-S235 PolarHBondContact O-N 2.91Å; V231-S235 PolarHBondContact O-OG 2.8Å; V231-L242 HydrophobicContact CG2-CD2 3.94Å
232E92.4Very high90.6Very high94 Ų9471.6 Ų71.644%0.43936%0.357SS..Hα-helixtrans-63.5-47.7177.4-71.4-173.9-17700112.1Q228 T234 S235Q228-E232 WeakPolarHBondContact O-CG 3.3Å; Q228-E232 PolarHBondContact O-N 3.41Å; E232-T234 PolarHBondContact O-N 3.25Å; E232-S235 PolarHBondContact O-OG 2.93Å
233A93.2Very high90.7Very high0 Ų071.6 Ų71.60%036%0.355CS..Hα-helixtrans-61.6-46.1179.200000111.9L195 S229L195-A233 HydrophobicContact CD1-CB 3.8Å; S229-A233 WeakPolarHBondContact O-CB 3.2Å; S229-A233 PolarHBondContact O-N 2.84Å
234T93.3Very high91Very high12 Ų1266.9 Ų66.97%0.07434%0.335CS..Hα-helixtrans-74.2-35.5-176.455.40000113.1L203 L218 I230 V231 E232 R236 L237 F240 L242L203-T234 HydrophobicContact CD2-CG2 4.04Å; L218-T234 HydrophobicContact CD1-CG2 3.72Å; I230-T234 HydrophobicContact CD1-CG2 3.96Å; I230-T234 HydrophobicContact CG1-CG2 3.99Å; I230-T234 VanDerWaalsContact O-CB 3.3Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 WeakPolarHBondContact O-CG2 3.47Å; I230-T234 PolarHBondContact O-N 3.26Å; I230-T234 PolarHBondContact O-OG1 3.12Å; V231-T234 PolarHBondContact O-OG1 3.49Å; E232-T234 PolarHBondContact O-N 3.25Å; T234-R236 PolarHBondContact O-N 3.11Å; T234-R236 VanDerWaalsContact O-N 3.12Å; T234-L237 PolarHBondContact O-N 3.03Å; T234-F240 HydrophobicContact CG2-CB 4.41Å; T234-L242 HydrophobicContact CG2-CB 4.34Å
235S91.9Very high90.9Very high89 Ų8960.9 Ų60.962%0.62231%0.312SS*.Hα-helixtrans-59-26.8-179.468.20000114.1V231 E232V231-S235 WeakPolarHBondContact O-CB 3.21Å; V231-S235 PolarHBondContact O-N 2.91Å; V231-S235 PolarHBondContact O-OG 2.8Å; E232-S235 PolarHBondContact O-OG 2.93Å
236R92.8Very high90.5Very high153 Ų15359.2 Ų59.258%0.57731%0.311SS*.THydrogen-bonded Turntrans-86.7-16.3-179.9-61.4176.4-172.2169.57.4112.9P200 T234P200-R236 HydrophobicContact CB-CB 4.47Å; P200-R236 HydrophobicContact CG-CB 4.49Å; T234-R236 PolarHBondContact O-N 3.11Å; T234-R236 VanDerWaalsContact O-N 3.12Å
237L91.4Very high88.9Confident38 Ų3859.8 Ų59.820%0.19932%0.319CS..  trans-102.2146-174.9-65.3173.5000111.2P200 L203 T204 T234 F240P200-L237 HydrophobicContact CB-CD1 3.92Å; P200-L237 HydrophobicContact CB-CD2 3.98Å; P200-L237 HydrophobicContact CB-CG 3.83Å; L203-L237 HydrophobicContact CD2-CD1 4.07Å; T204-L237 HydrophobicContact CG2-CD1 4.03Å; T204-L237 HydrophobicContact CG2-CD2 4.04Å; T234-L237 PolarHBondContact O-N 3.03Å; L237-F240 HydrophobicContact CB-CB 4.25Å; L237-F240 HydrophobicContact CB-CD2 4.29Å; L237-F240 HydrophobicContact CD1-CB 4.28Å; L237-F240 HydrophobicContact CD1-CD2 3.68Å; L237-F240 HydrophobicContact CD1-CE2 4.36Å; L237-F240 HydrophobicContact CD1-CG 4.15Å
238K91Very high87.3Confident199 Ų19960.9 Ų60.987%0.86533%0.326SS*.SBendtrans-94.5-26176.2-66.4-179.5-178.6174.10113.1
239T91.1Very high84.4Confident61 Ų6162.5 Ų62.537%0.37433%0.325SS..SBendtrans-88.3-26.4-174.244.50000113.1D214 V216 M274D214-T239 WeakPolarHBondContact O-CB 3.34Å; D214-T239 WeakPolarHBondContact O-CG2 3.42Å; V216-T239 PolarHBondContact N-O 3.19Å; V216-T239 VanDerWaalsContact N-O 3.15Å; T239-M274 VanDerWaalsContact O-CE 3.25Å; T239-M274 WeakPolarHBondContact O-CE 3.23Å
240F92.7Very high81.5Confident8 Ų864.2 Ų64.24%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-100.5119.2176.3-67.4-98.4000108.8L203 T204 A207 V216 T234 L237L203-F240 HydrophobicContact CD2-CB 4.1Å; L203-F240 HydrophobicContact CD2-CD1 3.6Å; L203-F240 HydrophobicContact CD2-CD2 4.49Å; L203-F240 HydrophobicContact CD2-CE1 4.16Å; L203-F240 HydrophobicContact CD2-CG 3.8Å; L203-F240 HydrophobicContact CG-CD1 3.96Å; L203-F240 HydrophobicContact CG-CE1 3.99Å; L203-F240 HydrophobicContact CG-CG 4.47Å; T204-F240 HydrophobicContact CG2-CE2 3.96Å; A207-F240 HydrophobicContact CB-CE1 3.84Å; A207-F240 HydrophobicContact CB-CZ 3.51Å; V216-F240 HydrophobicContact CB-CD1 3.64Å; V216-F240 HydrophobicContact CB-CE1 3.61Å; V216-F240 HydrophobicContact CB-CZ 4.47Å; V216-F240 HydrophobicContact CG1-CD1 4.37Å; V216-F240 HydrophobicContact CG1-CE1 4.35Å; V216-F240 HydrophobicContact CG2-CD1 4.03Å; V216-F240 HydrophobicContact CG2-CE1 3.45Å; V216-F240 VanDerWaalsContact CG2-CE1 3.45Å; V216-F240 HydrophobicContact CG2-CZ 3.96Å; V216-F240 WeakPolarHBondContact O-CA 3.46Å; T234-F240 HydrophobicContact CG2-CB 4.41Å; L237-F240 HydrophobicContact CB-CB 4.25Å; L237-F240 HydrophobicContact CB-CD2 4.29Å; L237-F240 HydrophobicContact CD1-CB 4.28Å; L237-F240 HydrophobicContact CD1-CD2 3.68Å; L237-F240 HydrophobicContact CD1-CE2 4.36Å; L237-F240 HydrophobicContact CD1-CG 4.15Å
241N92Very high78.3Confident58 Ų5874 Ų7431%0.3136%0.363SS..EExtended strand (participates in β ladder)trans-116.3133.5177.1-69.6-52.1000109.9V216 L217 L218 M274V216-N241 PolarHBondContact O-N 3.32Å; V216-N241 VanDerWaalsContact O-N 3.17Å; L217-N241 HydrophobicContact CD1-CB 4.18Å; L218-N241 PolarHBondContact N-O 3.24Å; N241-M274 HydrophobicContact CB-CE 4.28Å; N241-M274 WeakPolarHBondContact ND2-CE 3.22Å
242L90.8Very high75.2Confident38 Ų3877.8 Ų77.820%0.19938%0.376CS..EExtended strand (participates in β ladder)trans-103127.1173.3-177.363.2000109.9L193 L218 D220 M226 I230 V231 T234L193-L242 HydrophobicContact CD1-CD1 4.26Å; L218-L242 HydrophobicContact CB-CD1 3.71Å; D220-L242 HydrophobicContact CB-CD1 4.49Å; M226-L242 HydrophobicContact CE-CD1 4.45Å; M226-L242 HydrophobicContact CE-CD2 4.43Å; M226-L242 HydrophobicContact CE-CG 4.11Å; M226-L242 HydrophobicContact CG-CD2 4.46Å; M226-L242 HydrophobicContact SD-CD2 3.63Å; M226-L242 HydrophobicContact SD-CG 3.96Å; I230-L242 HydrophobicContact CG2-CD2 3.97Å; V231-L242 HydrophobicContact CG2-CD2 3.94Å; T234-L242 HydrophobicContact CG2-CB 4.34Å
243I89.6Confident72.1Confident43 Ų4380.2 Ų80.222%0.22139%0.388CS..EExtended strand (participates in β ladder)trans-136.7138.5-177.5-57.9-171.7000109.5L217 L218 V219 D220 A247L217-I243 HydrophobicContact CD1-CB 4.41Å; L217-I243 HydrophobicContact CD1-CD1 3.65Å; L217-I243 HydrophobicContact CD1-CG1 3.87Å; L218-I243 PolarHBondContact O-N 2.95Å; V219-I243 VanDerWaalsContact CA-O 3.3Å; V219-I243 WeakPolarHBondContact CA-O 3.25Å; D220-I243 PolarHBondContact N-O 3.03Å; D220-I243 VanDerWaalsContact N-O 3.15Å; I243-A247 HydrophobicContact CG2-CB 3.51Å
244P90.4Very high69.3Low26 Ų2686.2 Ų86.217%0.16943%0.427CS..EExtended strand (participates in β ladder)trans-73.5153.5173.230-35.1000112D220 M226 V246 A247D220-P244 CarbonylContact O-C 3.55Å; D220-P244 VanDerWaalsContact O-C 3.31Å; D220-P244 WeakPolarHBondContact O-CA 3.26Å; M226-P244 HydrophobicContact CE-CB 3.89Å; M226-P244 HydrophobicContact CE-CG 4.47Å; P244-V246 PolarHBondContact O-N 3.31Å; P244-A247 HydrophobicContact CG-CB 4.03Å; P244-A247 WeakPolarHBondContact O-CB 3.38Å; P244-A247 PolarHBondContact O-N 2.93Å
245A83.6Confident66.3Low31 Ų3194.2 Ų94.226%0.25646%0.46SS..G310 helixtrans-65.9-30.3-177.400000110V219 D220 L221 A247 T248V219-A245 HydrophobicContact CG1-CB 4.13Å; D220-A245 WeakPolarHBondContact O-CA 3.44Å; D220-A245 VanDerWaalsContact O-CB 3.3Å; D220-A245 WeakPolarHBondContact O-CB 3.39Å; D220-A245 PolarHBondContact O-N 2.68Å; L221-A245 PolarHBondContact O-N 3.22Å; A245-A247 PolarHBondContact O-N 3.2Å; A245-T248 WeakPolarHBondContact O-CA 3.37Å; A245-T248 VanDerWaalsContact O-CB 3.3Å; A245-T248 WeakPolarHBondContact O-CB 3.37Å; A245-T248 PolarHBondContact O-N 3.19Å; A245-T248 PolarHBondContact O-OG1 3.09Å
246V77.2Confident63.6Low94 Ų9495.8 Ų95.857%0.5747%0.471SS*.G310 helixtrans-62.1-26.3171.8-172.80000111.9P244 T248 R249P244-V246 PolarHBondContact O-N 3.31Å; V246-T248 PolarHBondContact O-N 3.36Å; V246-R249 CarbonylContact O-C 3.31Å; V246-R249 VanDerWaalsContact O-CA 3.31Å; V246-R249 WeakPolarHBondContact O-CA 3.25Å; V246-R249 WeakPolarHBondContact O-CB 3.47Å; V246-R249 PolarHBondContact O-N 3.26Å; V246-R249 VanDerWaalsContact O-O 3.05Å
247A54.6Low60.5Low36 Ų3693.5 Ų93.530%0.29848%0.478SS..G310 helixtrans-75.6-12173.200000113.1I243 P244 A245I243-A247 HydrophobicContact CG2-CB 3.51Å; P244-A247 HydrophobicContact CG-CB 4.03Å; P244-A247 WeakPolarHBondContact O-CB 3.38Å; P244-A247 PolarHBondContact O-N 2.93Å; A245-A247 PolarHBondContact O-N 3.2Å
248T55.8Low57.7Low44 Ų4497.7 Ų97.727%0.2751%0.508SS..G310 helixtrans-74.8-15.3162.577.50000112.5V219 A245 V246 F268V219-T248 HydrophobicContact CG1-CG2 4.45Å; A245-T248 WeakPolarHBondContact O-CA 3.37Å; A245-T248 VanDerWaalsContact O-CB 3.3Å; A245-T248 WeakPolarHBondContact O-CB 3.37Å; A245-T248 PolarHBondContact O-N 3.19Å; A245-T248 PolarHBondContact O-OG1 3.09Å; V246-T248 PolarHBondContact O-N 3.36Å; T248-F268 HydrophobicContact CG2-CE2 4.2Å; T248-F268 HydrophobicContact CG2-CZ 4.04Å
249R30.3Very low54.8Low189 Ų18994.3 Ų94.371%0.71350%0.504SS*.SBendtrans-84.3127.4165.3179-174.4-74.1-137.1-1.4109.5V246 R251V246-R249 CarbonylContact O-C 3.31Å; V246-R249 VanDerWaalsContact O-CA 3.31Å; V246-R249 WeakPolarHBondContact O-CA 3.25Å; V246-R249 WeakPolarHBondContact O-CB 3.47Å; V246-R249 PolarHBondContact O-N 3.26Å; V246-R249 VanDerWaalsContact O-O 3.05Å; R249-R251 PolarHBondContact O-N 2.93Å
250W31.1Very low51.8Low75 Ų7597 Ų9728%0.28452%0.522SS..  trans-51.8105.8173.8-58.784.8000110.9V99 W102 Q103 R170 H252V99-W250 HydrophobicContact CG1-CH2 3.95Å; V99-W250 HydrophobicContact CG1-CZ2 4.09Å; W102-W250 AromaticContact CE3-CH2 3.52Å; W102-W250 HydrophobicContact CE3-CH2 3.52Å; W102-W250 AromaticContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CH2-CD2 4.35Å; W102-W250 AromaticContact CH2-CE3 3.31Å; W102-W250 HydrophobicContact CH2-CE3 3.31Å; W102-W250 AromaticContact CH2-CH2 3.64Å; W102-W250 HydrophobicContact CH2-CH2 3.64Å; W102-W250 AromaticContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CZ2-CE3 4.47Å; W102-W250 HydrophobicContact CZ2-CZ3 4.33Å; W102-W250 AromaticContact CZ3-CE3 3.57Å; W102-W250 HydrophobicContact CZ3-CE3 3.57Å; W102-W250 AromaticContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CZ2 4.22Å; W102-W250 AromaticContact CZ3-CZ3 2.74Å; W102-W250 HydrophobicContact CZ3-CZ3 2.74Å; Q103-W250 HydrophobicContact CG-CH2 3.79Å; Q103-W250 HydrophobicContact CG-CZ3 3.87Å; Q103-W250 VanDerWaalsContact NE2-CH2 3.25Å; R170-W250 HydrophobicContact CB-CZ2 3.57Å; R170-W250 HydrophobicContact CG-CH2 4.25Å; R170-W250 HydrophobicContact CG-CZ2 3.66Å; W250-H252 PolarHBondContact O-N 2.83Å
251R26.8Very low48.6Very low206 Ų206104.7 Ų104.778%0.77756%0.558SS**  trans-67.9102.8-176-161.6-176.3-67.2-109.74.4111.2R249R249-R251 PolarHBondContact O-N 2.93Å
252H28.3Very low45.6Very low140 Ų140107.3 Ų107.365%0.64858%0.578SS**  trans-116.491.9148.4-84.6-79.9000106.9M164 W250M164-H252 VanDerWaalsContact CE-NE2 3.26Å; M164-H252 WeakPolarHBondContact CE-NE2 3.45Å; W250-H252 PolarHBondContact O-N 2.83Å
253E26.4Very low42.6Very low145 Ų145110.4 Ų110.468%0.67860%0.599SS**  trans-159128.1147.5-146.7145.9-177.600110.2
254P35Very low39.8Very low126 Ų126114.5 Ų114.582%0.81863%0.629SS**  trans-91.9114.3168.132.8-22.5000108.2
255K29.5Very low37Very low180 Ų180120.5 Ų120.578%0.78366%0.659SS**  trans-130131159.6-86.8-177.5179.1171.10110
256S35.1Very low34.7Very low121 Ų121121.8 Ų121.885%0.84667%0.669SS**  trans-66.8118.9-17447.10000113
257S27.9Very low32.4Very low105 Ų105118.7 Ų118.773%0.73466%0.656SS**  trans-165151155.739.80000109.4
258P32.1Very low31.9Very low127 Ų127119.2 Ų119.283%0.82565%0.652SS**PPolyproline II helixtrans-74.2139.3-159.630.4-34.3000112.2P260P258-P260 WeakPolarHBondContact O-CD 3.3Å
259V31.1Very low30.7Very low127 Ų127120 Ų12077%0.7766%0.658SS**PPolyproline II helixtrans-68.1126.8-174.2175.30000111.7
260P27.4Very low31Very low118 Ų118114.4 Ų114.477%0.76665%0.645SS**PPolyproline II helixtrans-88.2142.6140.530-20.3000109.5P258P258-P260 WeakPolarHBondContact O-CD 3.3Å
261Q26.8Very low31.5Very low169 Ų169111.5 Ų111.579%0.7964%0.636SS**  trans-32146.1-168.7-63.1-78.3-1.700117.4T263Q261-T263 PolarHBondContact O-N 2.9Å
262P28.9Very low32.3Very low113 Ų113105.6 Ų105.673%0.73462%0.619SS**  trans-72.7103.5-175.130.4-33.2000111.7
263T27.8Very low32.9Very low104 Ų104109.2 Ų109.264%0.63863%0.627SS**  trans-68139.9154.316.30000108.8Q261 L265Q261-T263 PolarHBondContact O-N 2.9Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.45Å
264P30Very low33.9Very low129 Ų129103 Ų10384%0.83860%0.599SS**  trans-73.586.7179.729.9-31.6000109.3A266P264-A266 PolarHBondContact O-N 3.36Å
265L32.3Very low34.7Very low152 Ų152102.1 Ų102.180%0.79658%0.582SS**  trans-72.7113.4-179.3-71.9171.8000110.9T263 G267T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.45Å; L265-G267 PolarHBondContact O-N 3.16Å
266A34Very low36Very low57 Ų5793.6 Ų93.647%0.47155%0.545SS..  trans-56.3118.917800000111.5P264P264-A266 PolarHBondContact O-N 3.36Å
267G29.5Very low37.5Very low30 Ų3088.8 Ų88.831%0.30951%0.509SS..  trans-69.8155.8154.600000109.6L265 P269 T270L265-G267 PolarHBondContact O-N 3.16Å; G267-P269 VanDerWaalsContact C-N 3.26Å; G267-P269 WeakPolarHBondContact O-CD 3.21Å; G267-P269 WeakPolarHBondContact O-CG 3.46Å; G267-T270 PolarHBondContact O-N 2.91Å
268F43.5Very low39.4Very low47 Ų4783.8 Ų83.821%0.20647%0.474CS..G310 helixtrans-32.1-28.2173-102.3-107000119.8Q103 L174 T248 T270 S271 L272Q103-F268 VanDerWaalsContact CD-CB 3.42Å; L174-F268 HydrophobicContact CD1-CE1 3.74Å; L174-F268 HydrophobicContact CD1-CZ 3.84Å; T248-F268 HydrophobicContact CG2-CE2 4.2Å; T248-F268 HydrophobicContact CG2-CZ 4.04Å; F268-T270 PolarHBondContact O-N 2.96Å; F268-T270 VanDerWaalsContact O-N 3.08Å; F268-S271 WeakPolarHBondContact O-CB 3.48Å; F268-S271 PolarHBondContact O-N 3.04Å; F268-L272 PolarHBondContact O-N 3.33Å
269P31.8Very low41.2Very low61 Ų6179.4 Ų79.440%0.39644%0.443SS..G310 helixtrans-55.4-25.1174.217.4-35000115.1Q103 G267Q103-P269 VanDerWaalsContact OE1-CD 3.32Å; G267-P269 VanDerWaalsContact C-N 3.26Å; G267-P269 WeakPolarHBondContact O-CD 3.21Å; G267-P269 WeakPolarHBondContact O-CG 3.46Å
270T36Very low42.5Very low70 Ų7075.2 Ų75.243%0.42941%0.414SS..G310 helixtrans-82.7-27.1174.9-29.80000112.5G267 F268 R273G267-T270 PolarHBondContact O-N 2.91Å; F268-T270 PolarHBondContact O-N 2.96Å; F268-T270 VanDerWaalsContact O-N 3.08Å; T270-R273 VanDerWaalsContact O-CB 3.26Å; T270-R273 WeakPolarHBondContact O-CB 3.45Å; T270-R273 PolarHBondContact O-N 3.27Å; T270-R273 VanDerWaalsContact O-N 3.16Å
271S40.5Very low43.3Very low15 Ų1570.9 Ų70.911%0.10539%0.385CS..G310 helixtrans-71.2-35.3-177.5134.30000112.2F268 R273 M274F268-S271 WeakPolarHBondContact O-CB 3.48Å; F268-S271 PolarHBondContact O-N 3.04Å; S271-R273 PolarHBondContact O-N 3.24Å; S271-M274 WeakPolarHBondContact O-CB 3.47Å; S271-M274 PolarHBondContact O-N 2.92Å; S271-M274 VanDerWaalsContact O-N 3.13Å
272L43.5Very low43.7Very low82 Ų8264.1 Ų64.143%0.42936%0.358SS..G310 helixtrans-68.3-13.8172-96.9131.6000113.6F268F268-L272 PolarHBondContact O-N 3.33Å
273R42.1Very low43.9Very low216 Ų21669.5 Ų69.582%0.81536%0.364SS*.G310 helixtrans-85.5-12.7174.3-119.6-178-168.3-168.40.9112.8T270 S271T270-R273 VanDerWaalsContact O-CB 3.26Å; T270-R273 WeakPolarHBondContact O-CB 3.45Å; T270-R273 PolarHBondContact O-N 3.27Å; T270-R273 VanDerWaalsContact O-N 3.16Å; S271-R273 PolarHBondContact O-N 3.24Å
274M48Very low44.1Very low15 Ų1571.8 Ų71.87%0.07437%0.367CS..  trans-78.7135.9-179.2-60.6-170.812800109.3K181 S215 L217 T239 N241 S271K181-M274 PolarHBondContact NZ-O 3.03Å; S215-M274 WeakPolarHBondContact OG-CA 3.17Å; L217-M274 HydrophobicContact CB-SD 3.55Å; L217-M274 VanDerWaalsContact CB-SD 3.55Å; L217-M274 HydrophobicContact CD1-SD 4.22Å; L217-M274 HydrophobicContact CG-SD 4.36Å; T239-M274 VanDerWaalsContact O-CE 3.25Å; T239-M274 WeakPolarHBondContact O-CE 3.23Å; N241-M274 HydrophobicContact CB-CE 4.28Å; N241-M274 WeakPolarHBondContact ND2-CE 3.22Å; S271-M274 WeakPolarHBondContact O-CB 3.47Å; S271-M274 PolarHBondContact O-N 2.92Å; S271-M274 VanDerWaalsContact O-N 3.13Å
275K50.3Low43.9Very low106 Ų10668.7 Ų68.746%0.46135%0.352SS..SBendtrans-68.1-64.1178.6-73.4178.7176.2171.40108.6K181 D186 D214 S215K181-K275 PolarHBondContact NZ-O 2.75Å; D186-K275 WeakPolarHBondContact CB-O 3.47Å; D186-K275 VanDerWaalsContact OD2-O 3.07Å; D214-K275 IonicContact OD2-NZ 3.82Å; D214-K275 PolarHBondContact OD2-NZ 2.88Å; S215-K275 PolarHBondContact O-N 3.33Å; S215-K275 PolarHBondContact OG-N 3.39Å
276A56.7Low43.8Very low1 Ų170 Ų701%0.00836%0.359CS..EExtended strand (participates in β ladder)trans-93.9143.7175.800000113.8D186 W212 S215 V216 L217D186-A276 CarbonylContact O-C 3.16Å; D186-A276 WeakPolarHBondContact O-CA 3.4Å; W212-A276 HydrophobicContact CB-CB 3.7Å; W212-A276 HydrophobicContact CG-CB 4.22Å; W212-A276 VanDerWaalsContact O-CB 3.26Å; W212-A276 WeakPolarHBondContact O-CB 3.42Å; W212-A276 PolarHBondContact O-N 2.87Å; S215-A276 PolarHBondContact O-N 3.15Å; V216-A276 WeakPolarHBondContact CA-O 3.46Å; V216-A276 HydrophobicContact CG1-CB 4.23Å; V216-A276 HydrophobicContact CG2-CB 4.26Å; L217-A276 PolarHBondContact N-O 3.04Å
277Q67.1Low43.6Very low20 Ų2074.9 Ų74.99%0.09337%0.372CS..EExtended strand (participates in β ladder)trans-121.5121.3165.8-173.3164.33.100109.1D186 L187 H188 L217 I279D186-Q277 PolarHBondContact O-N 2.9Å; L187-Q277 WeakPolarHBondContact CA-O 3.16Å; L187-Q277 HydrophobicContact CD1-CB 4.36Å; L187-Q277 HydrophobicContact CD1-CG 4.47Å; H188-Q277 PolarHBondContact N-O 3.02Å; L217-Q277 HydrophobicContact CB-CG 4.2Å; L217-Q277 HydrophobicContact CD2-CG 4.23Å; L217-Q277 HydrophobicContact CG-CG 4.42Å; Q277-I279 HydrophobicContact CG-CD1 4.46Å; Q277-I279 HydrophobicContact CG-CG1 4.1Å
278V67.5Low43.5Very low0 Ų080.7 Ų80.70%040%0.396CS..EExtended strand (participates in β ladder)trans-106.9116.4-179.5179.50000107.4H188 M190 L193 W212 V216 L217 L218 V219H188-V278 HydrophobicContact CB-CG2 4.32Å; H188-V278 WeakPolarHBondContact O-CA 3.25Å; M190-V278 HydrophobicContact CB-CG1 4.38Å; M190-V278 HydrophobicContact CE-CG1 3.96Å; M190-V278 HydrophobicContact CG-CG1 3.17Å; M190-V278 HydrophobicContact SD-CG1 4.12Å; L193-V278 HydrophobicContact CD2-CG1 4.3Å; W212-V278 HydrophobicContact CE3-CG2 4.26Å; W212-V278 HydrophobicContact CH2-CG2 4.28Å; W212-V278 HydrophobicContact CZ3-CG2 4.12Å; V216-V278 HydrophobicContact CG1-CB 4.41Å; V216-V278 HydrophobicContact CG1-CG2 3.54Å; L217-V278 PolarHBondContact O-N 3.47Å; L218-V278 WeakPolarHBondContact CA-O 3.19Å; L218-V278 HydrophobicContact CD2-CB 3.56Å; L218-V278 HydrophobicContact CD2-CG1 3.94Å; L218-V278 HydrophobicContact CD2-CG2 3.9Å; V219-V278 PolarHBondContact N-O 3.05Å
279I70.9Confident42.7Very low36 Ų3684.6 Ų84.619%0.18542%0.424CS..EExtended strand (participates in β ladder)trans-110.9122.5-179.6-57.8-174.3000108.3L178 L187 H188 M190 V219 Q277 V281L178-I279 HydrophobicContact CD2-CD1 3.96Å; L187-I279 HydrophobicContact CD1-CD1 3.63Å; L187-I279 HydrophobicContact CD1-CG1 3.88Å; H188-I279 PolarHBondContact O-N 3.09Å; M190-I279 PolarHBondContact N-O 2.93Å; V219-I279 HydrophobicContact CB-CG1 4.38Å; V219-I279 HydrophobicContact CG2-CG1 4.48Å; Q277-I279 HydrophobicContact CG-CD1 4.46Å; Q277-I279 HydrophobicContact CG-CG1 4.1Å; I279-V281 PolarHBondContact O-N 3.08Å
280R56.8Low42.5Very low39 Ų3987 Ų8715%0.14744%0.439CS..EExtended strand (participates in β ladder)trans-69.5125.8166.1-164.1-169.9-179.5172-4.6108.7L193 V219 D220L193-R280 HydrophobicContact CD1-CB 3.87Å; L193-R280 HydrophobicContact CD1-CG 4.46Å; L193-R280 HydrophobicContact CD2-CB 4.35Å; L193-R280 HydrophobicContact CG-CB 3.8Å; L193-R280 HydrophobicContact CG-CG 4Å; V219-R280 WeakPolarHBondContact O-CB 3.19Å; V219-R280 PolarHBondContact O-N 2.96Å; D220-R280 WeakPolarHBondContact OD1-CD 3.41Å; D220-R280 IonicContact OD1-CZ 3.42Å; D220-R280 IonicContact OD1-NE 2.79Å; D220-R280 IonicContact OD1-NH1 3.76Å; D220-R280 PolarHBondContact OD1-NH1 3.03Å; D220-R280 VanDerWaalsContact OD1-NH1 3.11Å; D220-R280 IonicContact OD2-NH1 3.44Å; D220-R280 PolarHBondContact OD2-NH1 2.94Å
281V45.3Very low42.6Very low27 Ų2794.5 Ų94.516%0.16446%0.46CS..PPolyproline II helixtrans-89.9126.3165.61630000107.8I189 M190 I279 R283I189-V281 HydrophobicContact CG2-CB 4.03Å; I189-V281 HydrophobicContact CG2-CG2 3.45Å; I189-V281 VanDerWaalsContact CG2-CG2 3.45Å; M190-V281 PolarHBondContact O-N 2.92Å; I279-V281 PolarHBondContact O-N 3.08Å; V281-R283 PolarHBondContact O-N 3.48Å
282A34.8Very low42.2Very low27 Ų27102.5 Ų102.522%0.22350%0.495CS..PPolyproline II helixtrans-52.6125.6177.300000111.7L221 Q284L221-A282 HydrophobicContact CD1-CB 3.18Å; L221-A282 HydrophobicContact CD2-CB 3.96Å; L221-A282 HydrophobicContact CG-CB 4.14Å; A282-Q284 PolarHBondContact O-N 3.36Å; A282-Q284 VanDerWaalsContact O-N 3.15Å
283R34.3Very low41.6Very low225 Ų225106.8 Ų106.885%0.84952%0.517SS*.  trans-73.198159-169.1177.4-171.9-179.23.1106.5V281 A285V281-R283 PolarHBondContact O-N 3.48Å; R283-A285 PolarHBondContact O-N 2.94Å
284Q31.8Very low41.2Very low152 Ų152102 Ų10271%0.7152%0.515SS*.  trans-66.3106.9167.9-161.581.522.600106.3A282 L286A282-Q284 PolarHBondContact O-N 3.36Å; A282-Q284 VanDerWaalsContact O-N 3.15Å; Q284-L286 PolarHBondContact O-N 2.9Å; Q284-L286 VanDerWaalsContact O-N 3.1Å
285A25.6Very low40.5Very low64 Ų64106 Ų10653%0.52955%0.549SS..  trans-57.9116165.300000106.9R283 H287R283-A285 PolarHBondContact O-N 2.94Å; A285-H287 PolarHBondContact O-N 3.37Å
286L28.9Very low39.6Very low180 Ų180108.8 Ų108.894%0.94257%0.569SS**  trans-64.483.9165.2-90.6152.5000107.1Q284Q284-L286 PolarHBondContact O-N 2.9Å; Q284-L286 VanDerWaalsContact O-N 3.1Å
287H29.5Very low38.4Very low160 Ų160113.8 Ų113.874%0.74160%0.601SS**  trans-97.9126.4160.4-87.2-65.2000108.6A285 V289A285-H287 PolarHBondContact O-N 3.37Å; H287-V289 PolarHBondContact O-N 3.43Å
288D29.3Very low36.7Very low152 Ų152118.7 Ų118.781%0.81364%0.637SS**  trans-25.9118.8179.7-67.6-57.3000115.2P290D288-P290 WeakPolarHBondContact O-CD 3.37Å
289V26.4Very low34.8Very low129 Ų129128 Ų12878%0.78268%0.678SS**  trans-83.9110162.7177.70000107.3H287 R291H287-V289 PolarHBondContact O-N 3.43Å; V289-R291 PolarHBondContact O-N 3.37Å
290P28.1Very low32.9Very low111 Ų111130.3 Ų130.372%0.72170%0.702SS**  trans-66.1111.4169.825.3-30.9000108.9D288 H292D288-P290 WeakPolarHBondContact O-CD 3.37Å; P290-H292 VanDerWaalsContact C-N 3.34Å; P290-H292 PolarHBondContact O-N 2.97Å
291R37.7Very low31.8Very low228 Ų228137 Ų13786%0.8674%0.74SS**  trans-67.885.2171.5-70.5-176.3-175.1174.72.6110.1V289V289-R291 PolarHBondContact O-N 3.37Å
292H32.1Very low30.9Very low183 Ų183139.1 Ų139.185%0.84777%0.767SS**  trans-148.2103.5158.4-74.3-60.9000110.8P290P290-H292 VanDerWaalsContact C-N 3.34Å; P290-H292 PolarHBondContact O-N 2.97Å
293L30.1Very low30.9Very low171 Ų171146.1 Ų146.190%0.89580%0.8SS**  trans-125.1118.6159.7-114.9151.8000106.8
294P33.1Very low31.1Very low117 Ų117141.4 Ų141.476%0.7680%0.798SS**  trans-74.5142.4179.228.8-31.8000111.2
295A33.7Very low31Very low97 Ų97142.4 Ų142.480%0.80280%0.803SS**  trans-65.2140.9174.200000112.1
296L31.1Very low31.4Very low166 Ų166147.1 Ų147.187%0.86981%0.814SS**  trans-149.3156.2163.4-86.3-171.1000109.3
297P32.5Very low31.4Very low106 Ų106145 Ų14569%0.68880%0.804SS**  -108164.3-117.131.9-22.6000115.3F299P297-F299 PolarHBondContact O-N 3.29Å
298S31.7Very low31.3Very low122 Ų122140.5 Ų140.585%0.85380%0.8SS**  trans-44.5127.2169.1-63.30000113.4
299F27.1Very low31.2Very low197 Ų197138.5 Ų138.586%0.86480%0.798SS**  trans-119.9111.9157.4-106.4-89.7000108.9P297P297-F299 PolarHBondContact O-N 3.29Å
300A30.9Very low31.3Very low83 Ų83140.7 Ų140.769%0.68680%0.8SS**  trans-83.6151.4165.800000109.7
301L33.1Very low31.3Very low180 Ų180142.7 Ų142.794%0.94280%0.8SS**  trans137.5128.1165.1-79.2158.3000107.6
302G27.9Very low31Very low71 Ų71137.2 Ų137.273%0.73280%0.796SS**  cis-176.9139.6-3.600000105.8
303L34.2Very low30.8Very low174 Ų174137.3 Ų137.391%0.91180%0.797SS**  trans-70.6158.3174.5-76.5160.6000110.7
304P37.3Very low31.4Very low126 Ų126134.8 Ų134.882%0.81879%0.791SS**  -136149.2113.932.1-18.7000115.3
305H31.5Very low31.2Very low173 Ų173132.9 Ų132.980%0.80179%0.793SS**  trans-58.1146167.9-115.6-35.5000113.6
306Q32.6Very low31.1Very low164 Ų164135.2 Ų135.277%0.76680%0.797SS**  179.4135101.8-93.3-152.645.800113
307N29.5Very low30.9Very low135 Ų135130.6 Ų130.672%0.72279%0.79SS**  trans38.6137.5137.4-58.7-20.2000120.1
308G26.6Very low31Very low65 Ų65131.8 Ų131.867%0.6780%0.797SS**  cis158168.311.100000109
309S28.6Very low31Very low110 Ų110131.1 Ų131.177%0.76979%0.793SS**  trans93.4106167.9-40.60000116.2
310Q28.8Very low31.1Very low176 Ų176130.3 Ų130.382%0.82280%0.796SS**  84139.199.6-82.5-176.9-13.200111.7
311E27.8Very low31Very low153 Ų153130.1 Ų130.172%0.71580%0.795SS**  cis-178.51633.9179.1156.9-174.700107.3
312S29.9Very low30.9Very low112 Ų112129.5 Ų129.578%0.78379%0.792SS**  trans84110.8158.274.40000122.1
313Q29.2Very low30.8Very low186 Ų186129.9 Ų129.987%0.86980%0.796SS**  trans-110.8171.1131.9-80.3-155.72.600106.6
314P42.6Very low30.9Very low118 Ų118129.9 Ų129.977%0.76679%0.791SS**  cis-141.3175.520.936.1-13.4000116
315G28.1Very low30.6Very low77 Ų77131.8 Ų131.879%0.79479%0.789SS**  trans-152.1120.7170.600000112.1
316T31.5Very low30.7Very low145 Ų145129.7 Ų129.789%0.8979%0.788SS**  trans-102.8134.2-168.6-48.30000112
317G27Very low30.8Very low70 Ų70126.9 Ų126.972%0.72278%0.776SS**  trans93.3165.6148.900000118.8
318P35.9Very low31.3Very low130 Ų130123.3 Ų123.384%0.84476%0.762SS**  cis-126.7170-12.637.7-20.7000115.3
319S29.8Very low31.7Very low108 Ų108130 Ų13076%0.75577%0.767SS**  trans-45.2136.8163.7178.60000114.8
320L30Very low32.2Very low180 Ų180132.5 Ų132.594%0.94277%0.766SS**  trans-138.3131.3151.6-93.9172.1000110.6
321A29.6Very low32.8Very low80 Ų80129.7 Ų129.766%0.66175%0.753SS**  trans-82.1150.9-169.300000113.3
322L30.5Very low33.4Very low167 Ų167128.4 Ų128.487%0.87475%0.75SS**  trans23.9117.9139-81138.8000119.3
323G26.7Very low33.8Very low79 Ų79128.1 Ų128.181%0.81474%0.74SS**  trans-161.867.8154.600000109.7Q325G323-Q325 PolarHBondContact O-N 3Å
324Q34.8Very low34.1Very low173 Ų173121.9 Ų121.981%0.80873%0.726SS**  trans-69.9120.8169.4-80.6-172.8-3.200109
325Q32.2Very low33.8Very low166 Ų166124.6 Ų124.678%0.77673%0.728SS**  trans-128.488.9156.7-161.4161.2-12.300107G323 M327G323-Q325 PolarHBondContact O-N 3Å; Q325-M327 PolarHBondContact O-N 2.92Å
326V33.9Very low34Very low129 Ų129131.9 Ų131.978%0.78273%0.732SS**  trans-79.2106.6173.9178.30000106.9
327M35Very low34.1Very low106 Ų106132.5 Ų132.552%0.52273%0.729SS.*  trans-81.2134.2170.1-70.2-153.5176.700110.3Q325Q325-M327 PolarHBondContact O-N 2.92Å
328S39.8Very low34.7Very low59 Ų59135.4 Ų135.441%0.41373%0.733SS.*  trans-58.8145.4172.4160.50000111.6E330 Q331S328-E330 PolarHBondContact O-N 3.06Å; S328-E330 VanDerWaalsContact O-N 3.1Å; S328-E330 PolarHBondContact OG-N 2.75Å; S328-Q331 PolarHBondContact O-N 3.43Å
329W34.8Very low34.4Very low206 Ų206132.7 Ų132.778%0.7873%0.728SS**Hα-helixtrans-56.4-23.8177.1-150.785.5000113L333W329-L333 HydrophobicContact CD2-CD1 4.41Å; W329-L333 HydrophobicContact CE3-CD1 3.67Å; W329-L333 HydrophobicContact CH2-CD1 3.81Å; W329-L333 HydrophobicContact CZ3-CD1 3.33Å
330E38.3Very low34.5Very low162 Ų162134.7 Ų134.776%0.75773%0.731SS**Hα-helixtrans-75.5-29.3177.1-65.8-175.8154.700113.1S328S328-E330 PolarHBondContact O-N 3.06Å; S328-E330 VanDerWaalsContact O-N 3.1Å; S328-E330 PolarHBondContact OG-N 2.75Å
331Q40.5Very low34.5Very low117 Ų117136 Ų13655%0.54773%0.729SS.*Hα-helixtrans-79-28.5-178.2-71178.4-23.800112.7S328S328-Q331 PolarHBondContact O-N 3.43Å
332L40.8Very low34.6Very low126 Ų126142.7 Ų142.766%0.6674%0.737SS**Hα-helixtrans-78.2-20.5179-83.2164.6000114
333L39.3Very low34.7Very low106 Ų106140.8 Ų140.856%0.55574%0.735SS**Hα-helixtrans-89.5-21.3175.9-76.9168000113.3W329W329-L333 HydrophobicContact CD2-CD1 4.41Å; W329-L333 HydrophobicContact CE3-CD1 3.67Å; W329-L333 HydrophobicContact CH2-CD1 3.81Å; W329-L333 HydrophobicContact CZ3-CD1 3.33Å
334G34.8Very low34.9Very low56 Ų56140.1 Ų140.158%0.57773%0.728SS**Hα-helixtrans-76.3-26.4179.900000115.2
335Q36Very low34.5Very low175 Ų175143.3 Ų143.382%0.81873%0.732SS**THydrogen-bonded Turntrans-96.42.6-173.2-68.6-155.521.100115.5
336R32.2Very low34.5Very low229 Ų229141.8 Ų141.886%0.86473%0.734SS**THydrogen-bonded Turntrans-112.719.9-179-140.5178.7-165.4-167.14.6115.2
337L33.8Very low34.3Very low158 Ų158146.5 Ų146.583%0.82774%0.738SS**SBendtrans-124.113.3175.3-70.5177.9000115.1
338T40.4Very low34Very low132 Ų132147 Ų14781%0.8175%0.749SS**SBendtrans-128.467.917149.70000110.7
339G29.8Very low33.5Very low73 Ų73155.9 Ų155.975%0.75377%0.773SS**SBendtrans-155.1103.7176.100000112.5
340N30.9Very low33.4Very low150 Ų150151 Ų15180%0.80278%0.777SS**  trans91.660.3157.9-125-3.1000118.4R342N340-R342 PolarHBondContact O-N 2.81Å
341K30.6Very low33.2Very low207 Ų207147.5 Ų147.590%0.978%0.776SS**  trans-67.4104.3146.8-89.4-171.4177.4-179.70108.5
342R31Very low33.1Very low220 Ų220145.8 Ų145.883%0.8379%0.789SS**PPolyproline II helixtrans-60.3130.1161.1-66-179.1-177.6-173.3-0.2108.3N340 G344N340-R342 PolarHBondContact O-N 2.81Å; R342-G344 PolarHBondContact O-N 3.22Å
343P32.9Very low32.8Very low128 Ų128147.5 Ų147.583%0.83180%0.798SS**PPolyproline II helixtrans-65.3125.2174.225-30.2000109.2R345P343-R345 PolarHBondContact O-N 3.01Å
344G30.4Very low32.9Very low65 Ų65148.6 Ų148.667%0.6781%0.81SS**PPolyproline II helixtrans-62.4132.5176.900000110.7R342 V346R342-G344 PolarHBondContact O-N 3.22Å; G344-V346 PolarHBondContact O-N 3.07Å; G344-V346 VanDerWaalsContact O-N 3.09Å
345R27.7Very low32.9Very low239 Ų239154.7 Ų154.790%0.90282%0.82SS**  trans-62.1108.4162.3-90.8179.5-122.2-118.6-2.3108.3P343 W347P343-R345 PolarHBondContact O-N 3.01Å; R345-W347 PolarHBondContact O-N 3.23Å
346V31.2Very low32.9Very low134 Ų134150.9 Ų150.981%0.81281%0.813SS**PPolyproline II helixtrans-71.8116.4166.3179.10000107G344G344-V346 PolarHBondContact O-N 3.07Å; G344-V346 VanDerWaalsContact O-N 3.09Å
347W29.4Very low33.3Very low229 Ų229152.5 Ų152.587%0.86783%0.83SS**PPolyproline II helixtrans-75.6130164.2-78.381000108R345 R349R345-W347 PolarHBondContact O-N 3.23Å; W347-R349 PolarHBondContact O-N 2.88Å
348P29.8Very low33.3Very low116 Ų116152.2 Ų152.275%0.75383%0.83SS**PPolyproline II helixtrans-67.1128.5174.45.83.1000109.6A350P348-A350 PolarHBondContact O-N 3.42Å
349R28.7Very low32.9Very low245 Ų245153.3 Ų153.393%0.92583%0.831SS**  trans-59.7115.5169.5-143.7176.7-171.2-176.71.3107.6W347 A351W347-R349 PolarHBondContact O-N 2.88Å; R349-A351 PolarHBondContact O-N 2.58Å
350A32.8Very low33.1Very low103 Ų103157.7 Ų157.785%0.85184%0.835SS**  trans-63.310817200000108.9P348P348-A350 PolarHBondContact O-N 3.42Å
351A35Very low33.3Very low89 Ų89158.2 Ų158.274%0.73684%0.837SS**  trans-71.8133.2166.200000108.5R349R349-A351 PolarHBondContact O-N 2.58Å
352G37.8Very low33.4Very low81 Ų81155.1 Ų155.184%0.83583%0.833SS**  trans-62.8134.2171.900000110.7
353L33.9Very low33.6Very low162 Ų162150.8 Ų150.885%0.84883%0.834SS**  trans-121.5106.1164.4-103.3134.2000107.4
354T41.8Very low33.6Very low129 Ų129152.4 Ų152.479%0.79183%0.834SS**  trans-75.5134.8155.644.80000108.6
355K33.9Very low33.9Very low185 Ų185159.2 Ų159.280%0.80485%0.846SS**  trans170.3105.7153.7-97.5172.8-178.3-172.90107.1
356S37.4Very low34.4Very low95 Ų95152.5 Ų152.566%0.66484%0.842SS**  57.992.591.774.40000113.7
357H41.1Very low34.7Very low262 Ų262154.2 Ų154.2100%1.21384%0.844SS**  -173.20113.4-101.8-60.2000110.6

Retrieved 357 of 357 residues in 51.8 ms (Link to these results)