A0A087YL37_POEFO Loading...

Opioid binding protein/cell adhesion molecule-like

AlphaFold DB , UniProt , Accession A0A087YL37, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42Very low35Very low249 Ų249124.2 Ų124.2100%1.22769%0.69SS**  058.30-67.4166.1101.800110.7
2C31.4Very low35.6Very low108 Ų108127.2 Ų127.273%0.7368%0.683SS**  trans-13911.7-179.9-147.40000112.9
3N31.7Very low35.5Very low138 Ų138124.7 Ų124.774%0.73868%0.675SS**SBendtrans-115.3-9.1-174.9-77.61.7000114.9
4S33.6Very low35.6Very low103 Ų103125.7 Ų125.772%0.7267%0.67SS**SBendtrans-90-17.9174.8-75.90000114.2
5V36.6Very low35.6Very low104 Ų104120.4 Ų120.463%0.6365%0.651SS**SBendtrans-84.1-21.4179.8-170.50000111.4
6C30.2Very low35.8Very low74 Ų74120.1 Ų120.150%0.565%0.654SS.*Hα-helixtrans-78.4-27.6-179.4-145.50000113.1L10C6-L10 PolarHBondContact O-N 3.03Å
7F31.8Very low35.9Very low171 Ų171118.9 Ų118.975%0.7565%0.646SS**Hα-helixtrans-76.6-22.6178.4-99.5-83.9000114.2
8I39.2Very low36.3Very low104 Ų104115.8 Ų115.853%0.53363%0.632SS.*Hα-helixtrans-77.1-31176.4-58.6177.4000110.2
9I38.3Very low36.7Very low115 Ų115113.2 Ų113.259%0.5961%0.614SS**Hα-helixtrans-77.2-32.4-179.7-58.9174.5000111.5W12I9-W12 PolarHBondContact O-N 3.22Å
10L33.3Very low36.6Very low126 Ų126111.6 Ų111.666%0.6661%0.609SS**Hα-helixtrans-79.7-17.1-179.1-90.4149.7000114.9C6C6-L10 PolarHBondContact O-N 3.03Å
11S36.4Very low36.9Very low74 Ų74110.2 Ų110.252%0.51762%0.621SS.*THydrogen-bonded Turntrans-86.1-8.8170.5109.70000113.3
12W42.2Very low36.6Very low160 Ų160103.6 Ų103.661%0.60659%0.594SS**THydrogen-bonded Turntrans-98.2-13.9-172.3-80.153.1000113.9I9 F14 A15I9-W12 PolarHBondContact O-N 3.22Å; W12-F14 PolarHBondContact O-N 2.7Å; W12-A15 PolarHBondContact O-N 3.24Å
13V34.5Very low36.6Very low95 Ų95103.6 Ų103.658%0.57659%0.593SS**THydrogen-bonded Turntrans-70.3-23.5163.1-174.70000110.7L17V13-L17 WeakPolarHBondContact O-CG 3.33Å
14F36.6Very low36.8Very low139 Ų139102.3 Ų102.361%0.6160%0.601SS**THydrogen-bonded Turntrans-79.6-22.3175.3-98.3-84.8000114.2W12 V16 L17 V18W12-F14 PolarHBondContact O-N 2.7Å; F14-V16 VanDerWaalsContact C-N 3.28Å; F14-V16 PolarHBondContact O-N 2.64Å; F14-L17 HydrophobicContact CD1-CB 4.3Å; F14-L17 HydrophobicContact CD1-CD1 4.35Å; F14-L17 HydrophobicContact CE1-CD1 4.43Å; F14-L17 CarbonylContact O-C 3.59Å; F14-L17 WeakPolarHBondContact O-CA 3.29Å; F14-L17 PolarHBondContact O-N 2.97Å; F14-V18 WeakPolarHBondContact O-CG2 3.22Å; F14-V18 PolarHBondContact O-N 3.03Å
15A36.8Very low36.7Very low46 Ų46108.5 Ų108.538%0.3861%0.609SS.*THydrogen-bonded Turntrans-68.9-29.3175.500000112.2W12 L17W12-A15 PolarHBondContact O-N 3.24Å; A15-L17 VanDerWaalsContact C-N 3.26Å
16V37.4Very low36.9Very low115 Ų115109.4 Ų109.470%0.69762%0.619SS**THydrogen-bonded Turntrans-72.3-21.4169.2-177.40000111.5F14F14-V16 VanDerWaalsContact C-N 3.28Å; F14-V16 PolarHBondContact O-N 2.64Å
17L38.8Very low37.1Very low100 Ų100108.9 Ų108.952%0.52463%0.627SS.*THydrogen-bonded Turntrans-96.7-8.7-178.1-65.9170.5000114.8V13 F14 A15V13-L17 WeakPolarHBondContact O-CG 3.33Å; F14-L17 HydrophobicContact CD1-CB 4.3Å; F14-L17 HydrophobicContact CD1-CD1 4.35Å; F14-L17 HydrophobicContact CE1-CD1 4.43Å; F14-L17 CarbonylContact O-C 3.59Å; F14-L17 WeakPolarHBondContact O-CA 3.29Å; F14-L17 PolarHBondContact O-N 2.97Å; A15-L17 VanDerWaalsContact C-N 3.26Å
18V42.5Very low37.4Very low63 Ų63108.9 Ų108.938%0.38263%0.634SS.*SBendtrans-90.2-11.7174.8-179.50000112.7F14 P20F14-V18 WeakPolarHBondContact O-CG2 3.22Å; F14-V18 PolarHBondContact O-N 3.03Å; V18-P20 VanDerWaalsContact C-CD 3.45Å; V18-P20 WeakPolarHBondContact O-CD 3.44Å
19F44Very low37.5Very low67 Ų67107.3 Ų107.329%0.29463%0.633SS.*SBendtrans-116.776.4156.5-68.5-78.5000107.8G21 A57 I64F19-G21 PolarHBondContact O-N 3.05Å; F19-A57 HydrophobicContact CZ-CB 3.99Å; F19-I64 HydrophobicContact CD2-CD1 4.2Å
20P34.7Very low37.7Very low81 Ų81105.8 Ų105.853%0.52664%0.638SS.*  trans-53135.5168.423.2-28.4000106.7V18 V22V18-P20 VanDerWaalsContact C-CD 3.45Å; V18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-V22 HydrophobicContact CB-CG2 4.41Å; P20-V22 HydrophobicContact CG-CG2 4.01Å; P20-V22 WeakPolarHBondContact O-CG2 3.49Å; P20-V22 PolarHBondContact O-N 3.42Å
21G42.2Very low38.2Very low82 Ų82105.1 Ų105.185%0.84563%0.634SS**  trans-58.385.5168.200000108.3F19 P23F19-G21 PolarHBondContact O-N 3.05Å; G21-P23 WeakPolarHBondContact O-CD 3.47Å
22V35.8Very low39.2Very low110 Ų110105.3 Ų105.367%0.66763%0.626SS**  trans-79.2118.3177.81750000105.7P20 A24P20-V22 HydrophobicContact CB-CG2 4.41Å; P20-V22 HydrophobicContact CG-CG2 4.01Å; P20-V22 WeakPolarHBondContact O-CG2 3.49Å; P20-V22 PolarHBondContact O-N 3.42Å; V22-A24 PolarHBondContact O-N 3.38Å
23P31.4Very low40.7Very low109 Ų109104.4 Ų104.471%0.70863%0.632SS**  trans-59.7126.4168.225.7-30.6000107.1G21 R25G21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-R25 VanDerWaalsContact C-N 3.33Å; P23-R25 PolarHBondContact O-N 2.8Å
24A35.5Very low43.1Very low110 Ų110103.9 Ų103.991%0.90963%0.626SS**  trans-56.493.6-179.700000110V22V22-A24 PolarHBondContact O-N 3.38Å
25R32.3Very low45.8Very low234 Ų23499.1 Ų99.188%0.88361%0.607SS**  trans-96.1115.5172.4-157.2172.9-177-1770.4107.8P23 G27P23-R25 VanDerWaalsContact C-N 3.33Å; P23-R25 PolarHBondContact O-N 2.8Å; R25-G27 PolarHBondContact O-N 2.59Å; R25-G27 VanDerWaalsContact O-N 3.14Å
26S40.8Very low48.5Very low122 Ų122100 Ų10085%0.85361%0.608SS**  trans-28.2102.9-179.958.30000114.7
27G33.8Very low51.3Low63 Ų6395.4 Ų95.465%0.64958%0.58SS**SBendtrans-136.8106.3158.700000106.5R25 S29R25-G27 PolarHBondContact O-N 2.59Å; R25-G27 VanDerWaalsContact O-N 3.14Å; G27-S29 PolarHBondContact O-N 3.49Å
28D39.3Very low53.9Low171 Ų17196.2 Ų96.291%0.91458%0.576SS**  trans-3.687.5-177.9-80.4-29.9000115.4A30D28-A30 PolarHBondContact O-N 3.47Å; D28-A30 VanDerWaalsContact O-N 3.13Å
29S40.8Very low56.5Low72 Ų7297.4 Ų97.450%0.50358%0.577SS.*  trans-71.8100159.158.40000106.7G27 L31G27-S29 PolarHBondContact O-N 3.49Å; S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 2.72Å
30A42.6Very low58.9Low83 Ų8396 Ų9669%0.68658%0.582SS**  trans-56.9103.9159.300000106.4D28 K32D28-A30 PolarHBondContact O-N 3.47Å; D28-A30 VanDerWaalsContact O-N 3.13Å; A30-K32 PolarHBondContact O-N 2.81Å
31L44.5Very low61.8Low112 Ų11296.3 Ų96.359%0.58658%0.579SS**  trans-62.6102.6176.4-169.677000106S29S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 2.72Å
32K56.3Low64.4Low78 Ų7895 Ų9534%0.33956%0.556SS.*  trans-74.9135.8170.9-148.8179.2-172.8-177.50106A30 K46 S48 T117 V119A30-K32 PolarHBondContact O-N 2.81Å; K32-K46 PolarHBondContact NZ-O 3.28Å; K32-S48 PolarHBondContact NZ-OG 3.39Å; K32-T117 HydrophobicContact CB-CG2 3.85Å; K32-T117 HydrophobicContact CD-CG2 4.16Å; K32-V119 HydrophobicContact CB-CG2 4.36Å
33D73.1Confident67.3Low140 Ų14089.7 Ų89.775%0.74953%0.525SS*.  trans-40.6143.8-169.7-63.4-41.8000114.1I35D33-I35 PolarHBondContact O-N 3.44Å
34N86.2Confident70.3Confident84 Ų8486.7 Ų86.745%0.44950%0.504SS..  trans-56.2131.7171.3-65.4-22.2000109.3I122N34-I122 HydrophobicContact CB-CD1 3.83Å; N34-I122 HydrophobicContact CB-CG1 4.48Å
35I92.3Very high73Confident40 Ų4081.5 Ų81.521%0.20546%0.461CS..EExtended strand (participates in β ladder)trans-94115.9176.3-66.6-176.9000107.5D33 V37 V44 L45 V119 H120 L121 I122D33-I35 PolarHBondContact O-N 3.44Å; I35-V37 HydrophobicContact CG2-CG2 3.91Å; I35-V44 WeakPolarHBondContact CD1-O 3.22Å; I35-L45 HydrophobicContact CD1-CD2 3.77Å; I35-V119 HydrophobicContact CB-CG1 4.13Å; I35-V119 HydrophobicContact CD1-CG1 3.6Å; I35-V119 HydrophobicContact CG1-CG1 3.59Å; I35-H120 PolarHBondContact N-O 2.73Å; I35-L121 HydrophobicContact CG2-CD1 4.09Å; I35-L121 CarbonylContact O-C 3.49Å; I35-L121 WeakPolarHBondContact O-CA 3.26Å; I35-I122 PolarHBondContact O-N 2.73Å
36T93.8Very high75.8Confident65 Ų6575.6 Ų75.640%0.39944%0.442SS..EExtended strand (participates in β ladder)trans-108.2125.1-178.5-55.30000109.7I122 Q124T36-I122 WeakPolarHBondContact CA-O 3.15Å; T36-I122 HydrophobicContact CG2-CB 4.39Å; T36-I122 HydrophobicContact CG2-CG2 4.35Å; T36-Q124 HydrophobicContact CG2-CG 3.56Å; T36-Q124 VanDerWaalsContact CG2-NE2 3.26Å; T36-Q124 VanDerWaalsContact CG2-OE1 3.23Å
37V95.5Very high78Confident18 Ų1869.9 Ų69.911%0.10940%0.402CS..EExtended strand (participates in β ladder)trans-138143.4-175.1175.30000109.7I35 D41 A43 V96 L121 I122 V123 Q124I35-V37 HydrophobicContact CG2-CG2 3.91Å; V37-D41 HydrophobicContact CG1-CB 3.65Å; V37-A43 HydrophobicContact CB-CB 4.38Å; V37-A43 HydrophobicContact CG1-CB 4.43Å; V37-A43 HydrophobicContact CG2-CB 3.82Å; V37-V96 HydrophobicContact CG1-CB 4.46Å; V37-V96 HydrophobicContact CG1-CG2 4.33Å; V37-L121 HydrophobicContact CB-CD1 4.38Å; V37-L121 HydrophobicContact CG2-CD1 4.28Å; V37-I122 PolarHBondContact N-O 3.46Å; V37-V123 WeakPolarHBondContact O-CA 3.38Å; V37-Q124 PolarHBondContact O-N 2.83Å
38R95.2Very high80.5Confident117 Ų11770.5 Ų70.544%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-76.1145.3175.1-63.7-179.4-179.2159.12.5110.4G40 D41 Q124 I199R38-G40 PolarHBondContact O-N 3.35Å; R38-D41 WeakPolarHBondContact O-CB 3.45Å; R38-D41 PolarHBondContact O-N 3.34Å; R38-Q124 CarbonylContact C-O 3.48Å; R38-Q124 WeakPolarHBondContact CA-O 3.4Å; R38-I199 HydrophobicContact CG-CG2 3.98Å; R38-I199 VanDerWaalsContact CZ-O 3.3Å; R38-I199 PolarHBondContact NE-O 3.13Å; R38-I199 PolarHBondContact NH2-O 3.08Å
39Q96Very high82.4Confident88 Ų8863.2 Ų63.241%0.41136%0.358SS..THydrogen-bonded Turntrans-54.4132.9174.4-174.4-177.122.200110.5D41 V96 N97 V123 Q124 V125Q39-D41 VanDerWaalsContact C-N 3.34Å; Q39-V96 CarbonylContact C-O 3.53Å; Q39-V96 WeakPolarHBondContact CA-O 3.22Å; Q39-V96 WeakPolarHBondContact CG-O 3.4Å; Q39-N97 PolarHBondContact NE2-OD1 2.99Å; Q39-V123 HydrophobicContact CB-CG1 4.16Å; Q39-Q124 PolarHBondContact N-O 2.9Å; Q39-V125 HydrophobicContact CB-CG2 4.11Å
40G95.2Very high83.9Confident37 Ų3764.7 Ų64.738%0.38136%0.36SS..THydrogen-bonded Turntrans92.3-21.7-176.200000114.6R38 N95 V96R38-G40 PolarHBondContact O-N 3.35Å; G40-N95 WeakPolarHBondContact CA-OD1 3.33Å; G40-N95 WeakPolarHBondContact O-CA 3.24Å; G40-V96 PolarHBondContact N-O 2.8Å
41D96.1Very high84.9Confident87 Ų8765.6 Ų65.647%0.46536%0.362SS..SBendtrans-77.3174.1176-69.2-14.2000111.3V37 R38 Q39 N95 V96V37-D41 HydrophobicContact CG1-CB 3.65Å; R38-D41 WeakPolarHBondContact O-CB 3.45Å; R38-D41 PolarHBondContact O-N 3.34Å; Q39-D41 VanDerWaalsContact C-N 3.34Å; D41-N95 PolarHBondContact O-N 3.37Å; D41-V96 WeakPolarHBondContact O-CB 3.48Å; D41-V96 VanDerWaalsContact O-CG2 3.27Å; D41-V96 WeakPolarHBondContact O-CG2 3.49Å; D41-V96 PolarHBondContact O-N 3.06Å
42S96.5Very high86Confident54 Ų5467.5 Ų67.538%0.37837%0.365SS..  trans-97.2132.9173.5-66.90000111.7Q92 I93S42-Q92 PolarHBondContact OG-NE2 2.67Å; S42-Q92 VanDerWaalsContact OG-NE2 3.11Å; S42-I93 CarbonylContact C-O 3.52Å; S42-I93 VanDerWaalsContact CA-O 3.25Å; S42-I93 WeakPolarHBondContact CA-O 3.04Å
43A96.1Very high86.6Confident0 Ų065.8 Ų65.80%036%0.361CS..EExtended strand (participates in β ladder)trans-97.5132.1171.100000110.9V37 Q92 I93 V96 L121V37-A43 HydrophobicContact CB-CB 4.38Å; V37-A43 HydrophobicContact CG1-CB 4.43Å; V37-A43 HydrophobicContact CG2-CB 3.82Å; A43-Q92 CarbonylContact O-C 3.59Å; A43-Q92 VanDerWaalsContact O-CA 3.25Å; A43-Q92 WeakPolarHBondContact O-CA 3.33Å; A43-I93 PolarHBondContact N-O 3.13Å; A43-I93 PolarHBondContact O-N 2.87Å; A43-V96 HydrophobicContact CB-CG2 3.74Å; A43-L121 HydrophobicContact CB-CD1 3.64Å; A43-L121 HydrophobicContact CB-CD2 4.34Å
44V94.3Very high86.6Confident46 Ų4662.3 Ų62.328%0.27935%0.347SS..EExtended strand (participates in β ladder)trans-108.5112.6174.4178.10000109.4I35 K46 M81 Q92I35-V44 WeakPolarHBondContact CD1-O 3.22Å; V44-K46 HydrophobicContact CG1-CG 3.93Å; V44-M81 HydrophobicContact CB-SD 4.43Å; V44-M81 HydrophobicContact CG1-SD 3.44Å; V44-M81 WeakPolarHBondContact CG1-SD 3.45Å; V44-M81 HydrophobicContact CG2-SD 4.15Å; V44-Q92 HydrophobicContact CG2-CB 4.28Å; V44-Q92 HydrophobicContact CG2-CG 4.18Å
45L92.9Very high86.5Confident0 Ų065 Ų650%035%0.352CS..EExtended strand (participates in β ladder)trans-94.6111.3178.9-52.4-178.1000109.2I35 W58 S90 I91 I93 Y104 V119I35-L45 HydrophobicContact CD1-CD2 3.77Å; L45-W58 HydrophobicContact CB-CH2 3.72Å; L45-W58 HydrophobicContact CB-CZ2 3.77Å; L45-W58 HydrophobicContact CB-CZ3 4.18Å; L45-W58 HydrophobicContact CD1-CZ3 4.41Å; L45-W58 WeakPolarHBondContact O-CZ2 3.38Å; L45-S90 VanDerWaalsContact O-CA 3.26Å; L45-S90 WeakPolarHBondContact O-CA 2.91Å; L45-I91 HydrophobicContact CB-CG1 3.94Å; L45-I91 HydrophobicContact CD1-CD1 4Å; L45-I91 HydrophobicContact CD1-CG1 4.13Å; L45-I91 HydrophobicContact CG-CG1 4.35Å; L45-I91 PolarHBondContact N-O 2.99Å; L45-I91 PolarHBondContact O-N 2.86Å; L45-I91 VanDerWaalsContact O-N 3.13Å; L45-I93 HydrophobicContact CD1-CD1 3.92Å; L45-Y104 HydrophobicContact CD1-CD1 3.48Å; L45-Y104 VanDerWaalsContact CD1-CD1 3.48Å; L45-Y104 HydrophobicContact CD1-CD2 4.15Å; L45-Y104 HydrophobicContact CD1-CE1 4.11Å; L45-Y104 HydrophobicContact CD1-CG 3.5Å; L45-V119 HydrophobicContact CD2-CG1 4.46Å
46K90.1Very high86.3Confident111 Ų11164 Ų6448%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-100.6119.8-172.3-65.8-175.5172.2-170.70113.4K32 V44 E88 S90K32-K46 PolarHBondContact NZ-O 3.28Å; V44-K46 HydrophobicContact CG1-CG 3.93Å; K46-E88 WeakPolarHBondContact CB-OE1 3.47Å; K46-E88 VanDerWaalsContact CD-OE1 3.27Å; K46-E88 WeakPolarHBondContact CD-OE1 3.23Å; K46-E88 VanDerWaalsContact CG-OE1 3.3Å; K46-E88 WeakPolarHBondContact CG-OE1 3.37Å; K46-S90 WeakPolarHBondContact CA-OG 3.5Å
47C87.8Confident86.2Confident1 Ų161 Ų611%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-113.7120.8173.7-167.40000111.6W58 E88 Y89 C106C47-W58 HydrophobicContact CB-CH2 4.41Å; C47-W58 HydrophobicContact CB-CZ2 3.57Å; C47-E88 CarbonylContact O-C 3.49Å; C47-E88 WeakPolarHBondContact O-CA 3.39Å; C47-Y89 WeakPolarHBondContact CB-O 3.12Å; C47-Y89 PolarHBondContact N-O 2.83Å; C47-Y89 PolarHBondContact O-N 3.16Å; C47-C106 HydrophobicContact CB-CB 3.54Å; C47-C106 WeakPolarHBondContact CB-SG 3.48Å; C47-C106 WeakPolarHBondContact SG-CB 3.21Å; C47-C106 CovalentContact SG-SG 2.01Å; C47-C106 PolarHBondContact SG-SG 3.28Å
48S85.5Confident86.2Confident76 Ų7660.1 Ų60.153%0.53132%0.323SS..EExtended strand (participates in β ladder)trans-86.2126.3177.1-53.40000109.6K32K32-S48 PolarHBondContact NZ-OG 3.39Å
49V79.8Confident86.1Confident19 Ų1955.9 Ų55.912%0.11531%0.309CS..  trans-116.6129.4-171.6-1730000108.5V53 V56 T87 I108V49-V53 HydrophobicContact CG1-CB 3.68Å; V49-V53 HydrophobicContact CG1-CG1 3.88Å; V49-V53 HydrophobicContact CG1-CG2 3.48Å; V49-V53 VanDerWaalsContact CG1-CG2 3.48Å; V49-V56 HydrophobicContact CG2-CG2 4.46Å; V49-T87 PolarHBondContact N-O 3.3Å; V49-T87 CarbonylContact O-C 3.57Å; V49-T87 VanDerWaalsContact O-CA 3.32Å; V49-T87 WeakPolarHBondContact O-CA 3.23Å; V49-T87 WeakPolarHBondContact O-CB 3.35Å; V49-I108 HydrophobicContact CG2-CD1 4.49Å
50D72.4Confident86Confident102 Ų10253.3 Ų53.355%0.54530%0.298SS..  trans-77.2156.2174.8-168.7-3.5000110.4K52 V53D50-K52 PolarHBondContact O-N 2.88Å; D50-V53 VanDerWaalsContact O-CG2 3.25Å; D50-V53 WeakPolarHBondContact O-CG2 3.26Å
51S63.4Low85.7Confident103 Ų10358.9 Ų58.972%0.7231%0.308SS*.SBendtrans-56.9-13.3-178.758.30000116
52K68.4Low85.3Confident152 Ų15260.7 Ų60.766%0.66132%0.322SS*.SBendtrans-11959.7-178.5-63.3-177.3-177.6179.10112.3D50D50-K52 PolarHBondContact O-N 2.88Å
53V67.8Low85.1Confident42 Ų4262 Ų6226%0.25533%0.328SS..EExtended strand (participates in β ladder)trans-109136.6179.8168.60000111.1V49 D50 R55 V56 I108 T110V49-V53 HydrophobicContact CG1-CB 3.68Å; V49-V53 HydrophobicContact CG1-CG1 3.88Å; V49-V53 HydrophobicContact CG1-CG2 3.48Å; V49-V53 VanDerWaalsContact CG1-CG2 3.48Å; D50-V53 VanDerWaalsContact O-CG2 3.25Å; D50-V53 WeakPolarHBondContact O-CG2 3.26Å; V53-R55 WeakPolarHBondContact CG1-O 3.42Å; V53-V56 HydrophobicContact CG1-CB 4.5Å; V53-I108 HydrophobicContact CB-CG2 4.24Å; V53-I108 HydrophobicContact CG1-CG2 3.73Å; V53-I108 HydrophobicContact CG2-CG2 3.42Å; V53-I108 VanDerWaalsContact CG2-CG2 3.42Å; V53-T110 HydrophobicContact CG2-CG2 4.32Å
54S72.6Confident85Confident66 Ų6664.1 Ų64.146%0.46234%0.339SS..EExtended strand (participates in β ladder)trans-97-39.3179.363.50000112.3L109S54-L109 PolarHBondContact N-O 2.94Å; S54-L109 WeakPolarHBondContact OG-CG 3.46Å; S54-L109 PolarHBondContact OG-O 2.82Å; S54-L109 VanDerWaalsContact OG-O 3.07Å
55R84.2Confident85.1Confident142 Ų14262.3 Ų62.354%0.53633%0.328SS..EExtended strand (participates in β ladder)trans-146.9147.2177.9-59.2-174.7-179.9-153.6-2110.5V53 L109V53-R55 WeakPolarHBondContact CG1-O 3.42Å; R55-L109 HydrophobicContact CB-CB 4.1Å; R55-L109 HydrophobicContact CG-CD2 4.46Å; R55-L109 PolarHBondContact O-N 2.81Å
56V88.8Confident85.2Confident19 Ų1962.8 Ų62.812%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-138142174.564.80000109.7V49 V53 A67 G68 Y89 S107 I108V49-V56 HydrophobicContact CG2-CG2 4.46Å; V53-V56 HydrophobicContact CG1-CB 4.5Å; V56-A67 CarbonylContact O-C 3.56Å; V56-G68 PolarHBondContact O-N 3.49Å; V56-Y89 HydrophobicContact CB-CD1 4.15Å; V56-Y89 HydrophobicContact CB-CE1 4.34Å; V56-Y89 HydrophobicContact CB-CG 4.38Å; V56-Y89 HydrophobicContact CG1-CD1 3.75Å; V56-Y89 HydrophobicContact CG1-CD2 3.69Å; V56-Y89 HydrophobicContact CG1-CE1 3.84Å; V56-Y89 HydrophobicContact CG1-CE2 3.81Å; V56-Y89 HydrophobicContact CG1-CG 3.65Å; V56-Y89 HydrophobicContact CG2-CD1 3.3Å; V56-Y89 HydrophobicContact CG2-CE1 3.76Å; V56-Y89 HydrophobicContact CG2-CG 3.8Å; V56-S107 CarbonylContact C-O 3.52Å; V56-S107 WeakPolarHBondContact CA-O 3.46Å; V56-I108 HydrophobicContact CG2-CG1 4Å
57A92.1Very high85.3Confident0 Ų058.6 Ų58.60%032%0.316CS..EExtended strand (participates in β ladder)trans-144.5145.6177.500000111.4F19 L59 F66 A67 C106 S107F19-A57 HydrophobicContact CZ-CB 3.99Å; A57-L59 HydrophobicContact CB-CD1 4.15Å; A57-F66 CarbonylContact C-O 3.54Å; A57-F66 WeakPolarHBondContact CA-O 3.49Å; A57-F66 VanDerWaalsContact CB-O 3.31Å; A57-F66 WeakPolarHBondContact CB-O 3.46Å; A57-A67 HydrophobicContact CB-CB 4.25Å; A57-C106 CarbonylContact O-C 3.54Å; A57-C106 WeakPolarHBondContact O-CA 3.34Å; A57-S107 PolarHBondContact N-O 2.79Å; A57-S107 PolarHBondContact O-N 2.84Å
58W94.8Very high85.3Confident1 Ų159.9 Ų59.90%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-101.5133.6167.2-88.9109.3000109.9L45 C47 L65 F66 Y89 I91 C106 V119L45-W58 HydrophobicContact CB-CH2 3.72Å; L45-W58 HydrophobicContact CB-CZ2 3.77Å; L45-W58 HydrophobicContact CB-CZ3 4.18Å; L45-W58 HydrophobicContact CD1-CZ3 4.41Å; L45-W58 WeakPolarHBondContact O-CZ2 3.38Å; C47-W58 HydrophobicContact CB-CH2 4.41Å; C47-W58 HydrophobicContact CB-CZ2 3.57Å; W58-L65 HydrophobicContact CB-CB 4.43Å; W58-L65 WeakPolarHBondContact O-CB 3.39Å; W58-L65 PolarHBondContact O-N 3.3Å; W58-F66 PolarHBondContact N-O 2.63Å; W58-F66 PolarHBondContact O-N 2.83Å; W58-Y89 AromaticContact CD1-CD1 3.46Å; W58-Y89 VanDerWaalsContact CD1-CD1 3.46Å; W58-Y89 AromaticContact CD1-CE1 3.3Å; W58-Y89 HydrophobicContact CG-CE1 4.2Å; W58-Y89 AromaticContact NE1-CD1 3.61Å; W58-Y89 AromaticContact NE1-CE1 3.97Å; W58-Y89 PolarHBondContact NE1-O 2.75Å; W58-I91 HydrophobicContact CB-CD1 3.7Å; W58-I91 HydrophobicContact CB-CG1 4.36Å; W58-I91 HydrophobicContact CB-CG2 4.43Å; W58-I91 HydrophobicContact CD2-CD1 4.05Å; W58-I91 HydrophobicContact CD2-CG1 4.06Å; W58-I91 HydrophobicContact CG-CD1 3.68Å; W58-I91 HydrophobicContact CG-CG1 3.83Å; W58-I91 HydrophobicContact CG-CG2 4.13Å; W58-C106 HydrophobicContact CD2-CB 4.03Å; W58-C106 HydrophobicContact CE3-CB 3.97Å; W58-C106 HydrophobicContact CH2-CB 3.77Å; W58-C106 HydrophobicContact CZ2-CB 3.84Å; W58-C106 HydrophobicContact CZ3-CB 3.83Å; W58-V119 HydrophobicContact CH2-CG2 4.38Å
59L93.9Very high85.4Confident27 Ų2762.3 Ų62.314%0.14134%0.341CS..EExtended strand (participates in β ladder)trans-123.5140.3178.6-60.387.2000110.2A57 T63 I64 Y104 V105A57-L59 HydrophobicContact CB-CD1 4.15Å; L59-T63 CarbonylContact C-O 3.53Å; L59-T63 WeakPolarHBondContact CA-O 3.48Å; L59-T63 WeakPolarHBondContact CB-O 3.38Å; L59-I64 HydrophobicContact CD2-CG1 4.25Å; L59-I64 HydrophobicContact CG-CG1 4.34Å; L59-Y104 CarbonylContact O-C 3.56Å; L59-Y104 VanDerWaalsContact O-CA 3.28Å; L59-Y104 WeakPolarHBondContact O-CA 3.47Å; L59-V105 HydrophobicContact CB-CB 4.44Å; L59-V105 PolarHBondContact N-O 2.99Å; L59-V105 PolarHBondContact O-N 2.57Å
60N93.8Very high86Confident35 Ų3567.2 Ų67.219%0.18736%0.363CS..EExtended strand (participates in β ladder)trans-97.5110.4162.2179.7-3.8000107.4T62 T63 L65 Y104N60-T62 PolarHBondContact O-N 3.45Å; N60-T63 PolarHBondContact N-O 2.87Å; N60-T63 PolarHBondContact O-N 2.95Å; N60-T63 PolarHBondContact O-OG1 2.8Å; N60-L65 HydrophobicContact CB-CD1 4.06Å; N60-L65 HydrophobicContact CB-CD2 3.95Å; N60-L65 HydrophobicContact CB-CG 4.08Å; N60-Y104 HydrophobicContact CB-CD1 4.02Å; N60-Y104 HydrophobicContact CB-CE1 3.71Å
61R88Confident87Confident154 Ų15466.7 Ų66.758%0.58136%0.355SS*.THydrogen-bonded Turntrans55.3-95.7-171-58.1163.4-173.8-99.8-2.2111.4E101 P103R61-E101 PolarHBondContact NH2-O 2.94Å; R61-P103 HydrophobicContact CG-CG 4Å; R61-P103 PolarHBondContact N-O 2.99Å
62T88.4Confident88.6Confident125 Ų12567.2 Ų67.277%0.76734%0.342SS*.THydrogen-bonded Turntrans-116.1-8.4178.656.30000113.4N60N60-T62 PolarHBondContact O-N 3.45Å
63T93Very high89.8Confident80 Ų8061.1 Ų61.149%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-89.6133.8-177.860.80000110.5L59 N60 L65L59-T63 CarbonylContact C-O 3.53Å; L59-T63 WeakPolarHBondContact CA-O 3.48Å; L59-T63 WeakPolarHBondContact CB-O 3.38Å; N60-T63 PolarHBondContact N-O 2.87Å; N60-T63 PolarHBondContact O-N 2.95Å; N60-T63 PolarHBondContact O-OG1 2.8Å; T63-L65 PolarHBondContact O-N 2.94Å
64I93.9Very high91.1Very high46 Ų4667.4 Ų67.424%0.23635%0.349CS..EExtended strand (participates in β ladder)trans-76.5124.7177.3-57.6174.4000108.3F19 L59 A67 W72F19-I64 HydrophobicContact CD2-CD1 4.2Å; L59-I64 HydrophobicContact CD2-CG1 4.25Å; L59-I64 HydrophobicContact CG-CG1 4.34Å; I64-A67 HydrophobicContact CG2-CB 4.24Å; I64-W72 HydrophobicContact CB-CB 4.21Å; I64-W72 HydrophobicContact CB-CG 4.35Å; I64-W72 HydrophobicContact CG2-CB 3.95Å; I64-W72 HydrophobicContact CG2-CD2 4.41Å; I64-W72 HydrophobicContact CG2-CG 3.85Å; I64-W72 VanDerWaalsContact O-CB 3.28Å; I64-W72 WeakPolarHBondContact O-CB 3.44Å
65L95.9Very high92.2Very high8 Ų866.3 Ų66.34%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-89.2-48.8173.2-60.6178.5000110.8W58 N60 T63 W72 S73 V78 I91 Y104W58-L65 HydrophobicContact CB-CB 4.43Å; W58-L65 WeakPolarHBondContact O-CB 3.39Å; W58-L65 PolarHBondContact O-N 3.3Å; N60-L65 HydrophobicContact CB-CD1 4.06Å; N60-L65 HydrophobicContact CB-CD2 3.95Å; N60-L65 HydrophobicContact CB-CG 4.08Å; T63-L65 PolarHBondContact O-N 2.94Å; L65-W72 PolarHBondContact O-N 2.9Å; L65-S73 PolarHBondContact O-N 3.2Å; L65-V78 HydrophobicContact CB-CG1 4.37Å; L65-V78 HydrophobicContact CD1-CG1 4.28Å; L65-I91 HydrophobicContact CD1-CD1 3.63Å; L65-Y104 HydrophobicContact CD1-CD1 3.9Å; L65-Y104 HydrophobicContact CD1-CE1 3.88Å
66F94.7Very high92.8Very high10 Ų1064.5 Ų64.54%0.04435%0.345CS..EExtended strand (participates in β ladder)trans-143.7145.3178.4-83.8-92.3000110.1A57 W58 E70 K71 V78 L80 Y89 I91A57-F66 CarbonylContact C-O 3.54Å; A57-F66 WeakPolarHBondContact CA-O 3.49Å; A57-F66 VanDerWaalsContact CB-O 3.31Å; A57-F66 WeakPolarHBondContact CB-O 3.46Å; W58-F66 PolarHBondContact N-O 2.63Å; W58-F66 PolarHBondContact O-N 2.83Å; F66-E70 VanDerWaalsContact CA-O 3.29Å; F66-E70 WeakPolarHBondContact CA-O 3.37Å; F66-E70 WeakPolarHBondContact CD1-O 3.31Å; F66-K71 HydrophobicContact CD1-CB 4Å; F66-K71 HydrophobicContact CD1-CG 4.44Å; F66-K71 HydrophobicContact CE1-CB 3.44Å; F66-K71 VanDerWaalsContact CE1-CB 3.44Å; F66-K71 HydrophobicContact CE1-CD 4.27Å; F66-K71 HydrophobicContact CE1-CG 3.82Å; F66-K71 HydrophobicContact CE2-CB 4.45Å; F66-K71 HydrophobicContact CE2-CD 4.2Å; F66-K71 HydrophobicContact CE2-CG 3.93Å; F66-K71 HydrophobicContact CZ-CB 3.71Å; F66-K71 HydrophobicContact CZ-CD 3.66Å; F66-K71 HydrophobicContact CZ-CG 3.53Å; F66-V78 HydrophobicContact CD2-CG1 4.15Å; F66-V78 HydrophobicContact CE2-CB 4.45Å; F66-V78 HydrophobicContact CE2-CG1 3.84Å; F66-L80 HydrophobicContact CD1-CB 4.09Å; F66-L80 HydrophobicContact CD1-CD2 4.48Å; F66-L80 HydrophobicContact CE1-CB 3.65Å; F66-L80 HydrophobicContact CZ-CB 3.89Å; F66-Y89 VanDerWaalsContact CB-OH 3.3Å; F66-Y89 WeakPolarHBondContact CB-OH 3.37Å; F66-I91 HydrophobicContact CD2-CG2 3.91Å; F66-I91 HydrophobicContact CE2-CG2 4.45Å; F66-I91 HydrophobicContact CG-CG2 4.36Å
67A91.9Very high93.2Very high23 Ų2366.1 Ų66.119%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-132.2108.4169.900000108.6V56 A57 I64 T69 E70V56-A67 CarbonylContact O-C 3.56Å; A57-A67 HydrophobicContact CB-CB 4.25Å; I64-A67 HydrophobicContact CG2-CB 4.24Å; A67-T69 PolarHBondContact O-N 2.84Å; A67-E70 PolarHBondContact N-O 2.92Å; A67-E70 WeakPolarHBondContact O-CB 3Å; A67-E70 PolarHBondContact O-N 3.04Å
68G88.1Confident93.5Very high28 Ų2866.3 Ų66.329%0.28935%0.35SS..THydrogen-bonded Turntrans58.3-125.7-166.500000110.8V56 Y89V56-G68 PolarHBondContact O-N 3.49Å; G68-Y89 PolarHBondContact N-OH 2.78Å; G68-Y89 VanDerWaalsContact O-CE2 3.24Å; G68-Y89 WeakPolarHBondContact O-CE2 3.33Å; G68-Y89 PolarHBondContact O-OH 2.96Å
69T88.5Confident93.5Very high126 Ų12668.8 Ų68.877%0.77336%0.363SS*.THydrogen-bonded Turntrans-88.2-7.3176.351.90000113.5A67 L80A67-T69 PolarHBondContact O-N 2.84Å; T69-L80 HydrophobicContact CG2-CD2 4.46Å
70E91.3Very high93.4Very high123 Ų12369.2 Ų69.258%0.57537%0.365SS*.EExtended strand (participates in β ladder)trans-81.3125-178.1-62.3179.317600110.8F66 A67F66-E70 VanDerWaalsContact CA-O 3.29Å; F66-E70 WeakPolarHBondContact CA-O 3.37Å; F66-E70 WeakPolarHBondContact CD1-O 3.31Å; A67-E70 PolarHBondContact N-O 2.92Å; A67-E70 WeakPolarHBondContact O-CB 3Å; A67-E70 PolarHBondContact O-N 3.04Å
71K94.5Very high93.2Very high91 Ų9170.4 Ų70.440%0.39637%0.37SS..EExtended strand (participates in β ladder)trans-85.9120.2173.5-173.6171.8176.1166.40110F66 S73 D75 V78F66-K71 HydrophobicContact CD1-CB 4Å; F66-K71 HydrophobicContact CD1-CG 4.44Å; F66-K71 HydrophobicContact CE1-CB 3.44Å; F66-K71 VanDerWaalsContact CE1-CB 3.44Å; F66-K71 HydrophobicContact CE1-CD 4.27Å; F66-K71 HydrophobicContact CE1-CG 3.82Å; F66-K71 HydrophobicContact CE2-CB 4.45Å; F66-K71 HydrophobicContact CE2-CD 4.2Å; F66-K71 HydrophobicContact CE2-CG 3.93Å; F66-K71 HydrophobicContact CZ-CB 3.71Å; F66-K71 HydrophobicContact CZ-CD 3.66Å; F66-K71 HydrophobicContact CZ-CG 3.53Å; K71-S73 WeakPolarHBondContact CE-O 3.27Å; K71-S73 WeakPolarHBondContact CG-O 3.43Å; K71-D75 VanDerWaalsContact CE-O 3.3Å; K71-D75 WeakPolarHBondContact CE-O 3.43Å; K71-D75 PolarHBondContact NZ-O 3.1Å; K71-V78 VanDerWaalsContact CE-O 3.31Å; K71-V78 WeakPolarHBondContact CE-O 3.36Å; K71-V78 PolarHBondContact NZ-O 2.96Å
72W95.3Very high92.5Very high114 Ų11471.5 Ų71.543%0.43238%0.382SS..  trans-102.2-27.7176.7-75.270.2000112.3I64 L65I64-W72 HydrophobicContact CB-CB 4.21Å; I64-W72 HydrophobicContact CB-CG 4.35Å; I64-W72 HydrophobicContact CG2-CB 3.95Å; I64-W72 HydrophobicContact CG2-CD2 4.41Å; I64-W72 HydrophobicContact CG2-CG 3.85Å; I64-W72 VanDerWaalsContact O-CB 3.28Å; I64-W72 WeakPolarHBondContact O-CB 3.44Å; L65-W72 PolarHBondContact O-N 2.9Å
73S95Very high91Very high23 Ų2373.3 Ų73.316%0.16139%0.387CS..  trans-66.9133.6173.8-174.70000111.4L65 K71 D75L65-S73 PolarHBondContact O-N 3.2Å; K71-S73 WeakPolarHBondContact CE-O 3.27Å; K71-S73 WeakPolarHBondContact CG-O 3.43Å; S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 WeakPolarHBondContact OG-CB 3.34Å; S73-D75 PolarHBondContact OG-N 2.82Å; S73-D75 VanDerWaalsContact OG-N 3.12Å
74L94.9Very high89.4Confident174 Ų17471.5 Ų71.591%0.91138%0.376SS*.  trans-78.7-10.8169.4-60.9178.5000112.7P76L74-P76 WeakPolarHBondContact O-CD 3.45Å
75D96.1Very high87.9Confident44 Ų4472.3 Ų72.324%0.23539%0.389CS..  trans-73116.3-179.3-171.3-20.5000110.2K71 S73 R77 V78K71-D75 VanDerWaalsContact CE-O 3.3Å; K71-D75 WeakPolarHBondContact CE-O 3.43Å; K71-D75 PolarHBondContact NZ-O 3.1Å; S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 WeakPolarHBondContact OG-CB 3.34Å; S73-D75 PolarHBondContact OG-N 2.82Å; S73-D75 VanDerWaalsContact OG-N 3.12Å; D75-R77 PolarHBondContact O-N 2.94Å; D75-R77 WeakPolarHBondContact OD1-CB 3.3Å; D75-R77 VanDerWaalsContact OD1-CG 3.27Å; D75-R77 WeakPolarHBondContact OD1-CG 3.45Å; D75-R77 PolarHBondContact OD1-N 3.26Å; D75-R77 IonicContact OD1-NE 3.19Å; D75-R77 PolarHBondContact OD1-NE 2.88Å; D75-R77 IonicContact OD2-CZ 3.33Å; D75-R77 IonicContact OD2-NE 3.1Å; D75-R77 PolarHBondContact OD2-NE 2.85Å; D75-R77 VanDerWaalsContact OD2-NE 3.1Å; D75-R77 IonicContact OD2-NH2 2.73Å; D75-R77 PolarHBondContact OD2-NH2 2.83Å; D75-V78 HydrophobicContact CB-CG2 4Å; D75-V78 PolarHBondContact O-N 3.11Å
76P96.3Very high86.4Confident103 Ų10380.4 Ų80.467%0.66943%0.431SS*.THydrogen-bonded Turntrans-64-23.4-179.727.4-35.3000112.7L74 V78L74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-V78 VanDerWaalsContact C-N 3.25Å; P76-V78 PolarHBondContact O-N 3.47Å
77R97.5Very high85.4Confident53 Ų5383.7 Ų83.720%0.245%0.452CS..THydrogen-bonded Turntrans-69.2-22.1-178.7-59178.6-57.7144.34.6113.4D75 I93 Q94 N95 D100D75-R77 PolarHBondContact O-N 2.94Å; D75-R77 WeakPolarHBondContact OD1-CB 3.3Å; D75-R77 VanDerWaalsContact OD1-CG 3.27Å; D75-R77 WeakPolarHBondContact OD1-CG 3.45Å; D75-R77 PolarHBondContact OD1-N 3.26Å; D75-R77 IonicContact OD1-NE 3.19Å; D75-R77 PolarHBondContact OD1-NE 2.88Å; D75-R77 IonicContact OD2-CZ 3.33Å; D75-R77 IonicContact OD2-NE 3.1Å; D75-R77 PolarHBondContact OD2-NE 2.85Å; D75-R77 VanDerWaalsContact OD2-NE 3.1Å; D75-R77 IonicContact OD2-NH2 2.73Å; D75-R77 PolarHBondContact OD2-NH2 2.83Å; R77-I93 WeakPolarHBondContact O-CA 3.31Å; R77-Q94 HydrophobicContact CB-CB 4.4Å; R77-Q94 WeakPolarHBondContact CB-O 3.05Å; R77-Q94 WeakPolarHBondContact CD-O 3.39Å; R77-Q94 PolarHBondContact O-N 3.35Å; R77-N95 PolarHBondContact NH1-O 2.92Å; R77-D100 IonicContact CZ-OD1 3.71Å; R77-D100 IonicContact CZ-OD2 3.42Å; R77-D100 IonicContact NH1-OD1 3.72Å; R77-D100 IonicContact NH1-OD2 2.73Å; R77-D100 PolarHBondContact NH1-OD2 2.84Å; R77-D100 IonicContact NH2-OD1 2.79Å; R77-D100 PolarHBondContact NH2-OD1 3.47Å; R77-D100 IonicContact NH2-OD2 3.27Å; R77-D100 PolarHBondContact NH2-OD2 3.38Å
78V96.8Very high85Confident5 Ų585 Ų853%0.0345%0.454CS..EExtended strand (participates in β ladder)trans-87.3113.8-179.8-167.20000109L65 F66 K71 D75 P76 I91 Q92 I93L65-V78 HydrophobicContact CB-CG1 4.37Å; L65-V78 HydrophobicContact CD1-CG1 4.28Å; F66-V78 HydrophobicContact CD2-CG1 4.15Å; F66-V78 HydrophobicContact CE2-CB 4.45Å; F66-V78 HydrophobicContact CE2-CG1 3.84Å; K71-V78 VanDerWaalsContact CE-O 3.31Å; K71-V78 WeakPolarHBondContact CE-O 3.36Å; K71-V78 PolarHBondContact NZ-O 2.96Å; D75-V78 HydrophobicContact CB-CG2 4Å; D75-V78 PolarHBondContact O-N 3.11Å; P76-V78 VanDerWaalsContact C-N 3.25Å; P76-V78 PolarHBondContact O-N 3.47Å; V78-I91 HydrophobicContact CG1-CD1 4.13Å; V78-Q92 WeakPolarHBondContact CA-O 3.28Å; V78-I93 HydrophobicContact CG1-CG1 4.49Å; V78-I93 HydrophobicContact CG2-CG1 4.43Å
79I95.3Very high85Confident53 Ų5384.8 Ų84.827%0.27245%0.445SS..EExtended strand (participates in β ladder)trans-122.5145.5-177.362.3171.3000110.6I91 Q92 Q94I79-I91 CarbonylContact O-C 3.57Å; I79-I91 VanDerWaalsContact O-CA 3.28Å; I79-I91 WeakPolarHBondContact O-CA 3.3Å; I79-I91 WeakPolarHBondContact O-CB 3.18Å; I79-Q92 HydrophobicContact CD1-CB 4.05Å; I79-Q92 HydrophobicContact CD1-CG 4.23Å; I79-Q92 HydrophobicContact CG1-CB 3.69Å; I79-Q92 HydrophobicContact CG1-CG 4.23Å; I79-Q92 WeakPolarHBondContact CG1-O 3.32Å; I79-Q92 PolarHBondContact N-O 2.05Å; I79-Q92 PolarHBondContact O-N 2.97Å; I79-Q94 HydrophobicContact CD1-CG 4.35Å
80L92.9Very high85.2Confident35 Ų3578.8 Ų78.818%0.18341%0.408CS..EExtended strand (participates in β ladder)trans-83.1135.2170.9-17566.4000108.9F66 T69 E82 Y89 I91F66-L80 HydrophobicContact CD1-CB 4.09Å; F66-L80 HydrophobicContact CD1-CD2 4.48Å; F66-L80 HydrophobicContact CE1-CB 3.65Å; F66-L80 HydrophobicContact CZ-CB 3.89Å; T69-L80 HydrophobicContact CG2-CD2 4.46Å; L80-E82 PolarHBondContact O-N 3Å; L80-Y89 HydrophobicContact CD1-CD2 4.04Å; L80-Y89 HydrophobicContact CD1-CE2 3.47Å; L80-Y89 VanDerWaalsContact CD1-CE2 3.47Å; L80-Y89 HydrophobicContact CD2-CE2 4.44Å; L80-I91 HydrophobicContact CD1-CG2 3.93Å
81M89.9Confident85.3Confident61 Ų6173 Ų7330%0.338%0.38SS..  trans-86110176.5-61.3-167.275.600109.8V44 N83 T84 S90 Q92V44-M81 HydrophobicContact CB-SD 4.43Å; V44-M81 HydrophobicContact CG1-SD 3.44Å; V44-M81 WeakPolarHBondContact CG1-SD 3.45Å; V44-M81 HydrophobicContact CG2-SD 4.15Å; M81-N83 VanDerWaalsContact C-N 3.35Å; M81-N83 PolarHBondContact O-N 2.69Å; M81-T84 HydrophobicContact CB-CG2 4.36Å; M81-S90 WeakPolarHBondContact CB-O 3.45Å; M81-S90 PolarHBondContact N-O 2.75Å; M81-Q92 HydrophobicContact CG-CB 4.14Å; M81-Q92 HydrophobicContact SD-CB 4.26Å
82E72.2Confident85.3Confident176 Ų17670.5 Ų70.582%0.82237%0.371SS*.THydrogen-bonded Turntrans-81.1-7.4-173.4-67.7-178.2163.700114.6L80L80-E82 PolarHBondContact O-N 3Å
83N57.6Low85.4Confident164 Ų16465.2 Ų65.288%0.87735%0.35SS*.THydrogen-bonded Turntrans-117.324.9-170-74.6-23.8000115.2M81M81-N83 VanDerWaalsContact C-N 3.35Å; M81-N83 PolarHBondContact O-N 2.69Å
84T59.6Low85.5Confident42 Ų4268.1 Ų68.126%0.25836%0.362SS..SBendtrans-89.7153.5173.851.70000110.7M81 E88M81-T84 HydrophobicContact CB-CG2 4.36Å; T84-E88 HydrophobicContact CG2-CG 4.28Å; T84-E88 PolarHBondContact OG1-O 2.74Å
85A60.7Low85.6Confident62 Ų6264.8 Ų64.851%0.51235%0.345SS..  trans-49.4153.4175.600000110.7T87 E88A85-T87 PolarHBondContact O-N 2.97Å; A85-E88 PolarHBondContact O-N 2.97Å
86I65.1Low85.7Confident178 Ų17862.8 Ų62.891%0.91333%0.334SS*.THydrogen-bonded Turntrans-51-20.3179.7-60.5169.8000112.6
87T74.1Confident85.7Confident80 Ų8060.6 Ų60.649%0.49132%0.317SS..THydrogen-bonded Turntrans-92.811179.655.40000114.7V49 A85V49-T87 PolarHBondContact N-O 3.3Å; V49-T87 CarbonylContact O-C 3.57Å; V49-T87 VanDerWaalsContact O-CA 3.32Å; V49-T87 WeakPolarHBondContact O-CA 3.23Å; V49-T87 WeakPolarHBondContact O-CB 3.35Å; A85-T87 PolarHBondContact O-N 2.97Å
88E83.9Confident85.6Confident50 Ų5060.2 Ų60.223%0.23432%0.32CS..EExtended strand (participates in β ladder)trans-139130.4-178.6-178.2173.5-141.900112K46 C47 T84 A85 S90K46-E88 WeakPolarHBondContact CB-OE1 3.47Å; K46-E88 VanDerWaalsContact CD-OE1 3.27Å; K46-E88 WeakPolarHBondContact CD-OE1 3.23Å; K46-E88 VanDerWaalsContact CG-OE1 3.3Å; K46-E88 WeakPolarHBondContact CG-OE1 3.37Å; C47-E88 CarbonylContact O-C 3.49Å; C47-E88 WeakPolarHBondContact O-CA 3.39Å; T84-E88 HydrophobicContact CG2-CG 4.28Å; T84-E88 PolarHBondContact OG1-O 2.74Å; A85-E88 PolarHBondContact O-N 2.97Å; E88-S90 WeakPolarHBondContact CG-OG 3.48Å; E88-S90 PolarHBondContact OE1-OG 2.87Å
89Y88.4Confident85.5Confident24 Ų2467.7 Ų67.79%0.09436%0.355CS..EExtended strand (participates in β ladder)trans-119.192.9178-178-108.4000109.3C47 V56 W58 F66 G68 L80C47-Y89 WeakPolarHBondContact CB-O 3.12Å; C47-Y89 PolarHBondContact N-O 2.83Å; C47-Y89 PolarHBondContact O-N 3.16Å; V56-Y89 HydrophobicContact CB-CD1 4.15Å; V56-Y89 HydrophobicContact CB-CE1 4.34Å; V56-Y89 HydrophobicContact CB-CG 4.38Å; V56-Y89 HydrophobicContact CG1-CD1 3.75Å; V56-Y89 HydrophobicContact CG1-CD2 3.69Å; V56-Y89 HydrophobicContact CG1-CE1 3.84Å; V56-Y89 HydrophobicContact CG1-CE2 3.81Å; V56-Y89 HydrophobicContact CG1-CG 3.65Å; V56-Y89 HydrophobicContact CG2-CD1 3.3Å; V56-Y89 HydrophobicContact CG2-CE1 3.76Å; V56-Y89 HydrophobicContact CG2-CG 3.8Å; W58-Y89 AromaticContact CD1-CD1 3.46Å; W58-Y89 VanDerWaalsContact CD1-CD1 3.46Å; W58-Y89 AromaticContact CD1-CE1 3.3Å; W58-Y89 HydrophobicContact CG-CE1 4.2Å; W58-Y89 AromaticContact NE1-CD1 3.61Å; W58-Y89 AromaticContact NE1-CE1 3.97Å; W58-Y89 PolarHBondContact NE1-O 2.75Å; F66-Y89 VanDerWaalsContact CB-OH 3.3Å; F66-Y89 WeakPolarHBondContact CB-OH 3.37Å; G68-Y89 PolarHBondContact N-OH 2.78Å; G68-Y89 VanDerWaalsContact O-CE2 3.24Å; G68-Y89 WeakPolarHBondContact O-CE2 3.33Å; G68-Y89 PolarHBondContact O-OH 2.96Å; L80-Y89 HydrophobicContact CD1-CD2 4.04Å; L80-Y89 HydrophobicContact CD1-CE2 3.47Å; L80-Y89 VanDerWaalsContact CD1-CE2 3.47Å; L80-Y89 HydrophobicContact CD2-CE2 4.44Å
90S91.4Very high85.6Confident0 Ų066 Ų660%035%0.346CS..EExtended strand (participates in β ladder)trans-112.5140.8-172.6-65.60000111.9L45 K46 M81 E88L45-S90 VanDerWaalsContact O-CA 3.26Å; L45-S90 WeakPolarHBondContact O-CA 2.91Å; K46-S90 WeakPolarHBondContact CA-OG 3.5Å; M81-S90 WeakPolarHBondContact CB-O 3.45Å; M81-S90 PolarHBondContact N-O 2.75Å; E88-S90 WeakPolarHBondContact CG-OG 3.48Å; E88-S90 PolarHBondContact OE1-OG 2.87Å
91I93.6Very high85.7Confident0 Ų066.9 Ų66.90%035%0.349CS..EExtended strand (participates in β ladder)trans-114.6151168.559.7167.9000109.5L45 W58 L65 F66 V78 I79 L80L45-I91 HydrophobicContact CB-CG1 3.94Å; L45-I91 HydrophobicContact CD1-CD1 4Å; L45-I91 HydrophobicContact CD1-CG1 4.13Å; L45-I91 HydrophobicContact CG-CG1 4.35Å; L45-I91 PolarHBondContact N-O 2.99Å; L45-I91 PolarHBondContact O-N 2.86Å; L45-I91 VanDerWaalsContact O-N 3.13Å; W58-I91 HydrophobicContact CB-CD1 3.7Å; W58-I91 HydrophobicContact CB-CG1 4.36Å; W58-I91 HydrophobicContact CB-CG2 4.43Å; W58-I91 HydrophobicContact CD2-CD1 4.05Å; W58-I91 HydrophobicContact CD2-CG1 4.06Å; W58-I91 HydrophobicContact CG-CD1 3.68Å; W58-I91 HydrophobicContact CG-CG1 3.83Å; W58-I91 HydrophobicContact CG-CG2 4.13Å; L65-I91 HydrophobicContact CD1-CD1 3.63Å; F66-I91 HydrophobicContact CD2-CG2 3.91Å; F66-I91 HydrophobicContact CE2-CG2 4.45Å; F66-I91 HydrophobicContact CG-CG2 4.36Å; V78-I91 HydrophobicContact CG1-CD1 4.13Å; I79-I91 CarbonylContact O-C 3.57Å; I79-I91 VanDerWaalsContact O-CA 3.28Å; I79-I91 WeakPolarHBondContact O-CA 3.3Å; I79-I91 WeakPolarHBondContact O-CB 3.18Å; L80-I91 HydrophobicContact CD1-CG2 3.93Å
92Q95.5Very high85.9Confident40 Ų4064.3 Ų64.319%0.18734%0.338CS..EExtended strand (participates in β ladder)trans-115.7136.6171.6174.5-179.7-400109.3S42 A43 V44 V78 I79 M81 Q94S42-Q92 PolarHBondContact OG-NE2 2.67Å; S42-Q92 VanDerWaalsContact OG-NE2 3.11Å; A43-Q92 CarbonylContact O-C 3.59Å; A43-Q92 VanDerWaalsContact O-CA 3.25Å; A43-Q92 WeakPolarHBondContact O-CA 3.33Å; V44-Q92 HydrophobicContact CG2-CB 4.28Å; V44-Q92 HydrophobicContact CG2-CG 4.18Å; V78-Q92 WeakPolarHBondContact CA-O 3.28Å; I79-Q92 HydrophobicContact CD1-CB 4.05Å; I79-Q92 HydrophobicContact CD1-CG 4.23Å; I79-Q92 HydrophobicContact CG1-CB 3.69Å; I79-Q92 HydrophobicContact CG1-CG 4.23Å; I79-Q92 WeakPolarHBondContact CG1-O 3.32Å; I79-Q92 PolarHBondContact N-O 2.05Å; I79-Q92 PolarHBondContact O-N 2.97Å; M81-Q92 HydrophobicContact CG-CB 4.14Å; M81-Q92 HydrophobicContact SD-CB 4.26Å; Q92-Q94 HydrophobicContact CG-CG 4.34Å
93I97.4Very high87Confident2 Ų257 Ų571%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-109111.2172.1-54174.1000106.1S42 A43 L45 R77 V78 V96 Y104 L121S42-I93 CarbonylContact C-O 3.52Å; S42-I93 VanDerWaalsContact CA-O 3.25Å; S42-I93 WeakPolarHBondContact CA-O 3.04Å; A43-I93 PolarHBondContact N-O 3.13Å; A43-I93 PolarHBondContact O-N 2.87Å; L45-I93 HydrophobicContact CD1-CD1 3.92Å; R77-I93 WeakPolarHBondContact O-CA 3.31Å; V78-I93 HydrophobicContact CG1-CG1 4.49Å; V78-I93 HydrophobicContact CG2-CG1 4.43Å; I93-V96 HydrophobicContact CB-CG2 4.3Å; I93-V96 HydrophobicContact CG2-CG2 4.15Å; I93-V96 WeakPolarHBondContact O-CG2 3.22Å; I93-Y104 HydrophobicContact CD1-CD1 4.39Å; I93-Y104 HydrophobicContact CD1-CE1 3.62Å; I93-L121 HydrophobicContact CD1-CD2 4.29Å
94Q97.4Very high88.8Confident85 Ų8549.4 Ų49.440%0.39727%0.265SS..  trans-81.9154.4178.5-64-177.1-20.200111.4R77 I79 Q92 V96R77-Q94 HydrophobicContact CB-CB 4.4Å; R77-Q94 WeakPolarHBondContact CB-O 3.05Å; R77-Q94 WeakPolarHBondContact CD-O 3.39Å; R77-Q94 PolarHBondContact O-N 3.35Å; I79-Q94 HydrophobicContact CD1-CG 4.35Å; Q92-Q94 HydrophobicContact CG-CG 4.34Å; Q94-V96 PolarHBondContact O-N 3.3Å
95N96.6Very high90.4Very high104 Ų10449 Ų4956%0.55626%0.262SS*.SBendtrans4758.4175.6-172.325.8000112.1G40 D41 R77 N97G40-N95 WeakPolarHBondContact CA-OD1 3.33Å; G40-N95 WeakPolarHBondContact O-CA 3.24Å; D41-N95 PolarHBondContact O-N 3.37Å; R77-N95 PolarHBondContact NH1-O 2.92Å; N95-N97 PolarHBondContact O-N 3.37Å
96V97.6Very high91.9Very high1 Ų146 Ų461%0.00624%0.238CC..  trans-61.3133.8-174.21730000110.2V37 Q39 G40 D41 A43 I93 Q94 D100 L121 V123V37-V96 HydrophobicContact CG1-CB 4.46Å; V37-V96 HydrophobicContact CG1-CG2 4.33Å; Q39-V96 CarbonylContact C-O 3.53Å; Q39-V96 WeakPolarHBondContact CA-O 3.22Å; Q39-V96 WeakPolarHBondContact CG-O 3.4Å; G40-V96 PolarHBondContact N-O 2.8Å; D41-V96 WeakPolarHBondContact O-CB 3.48Å; D41-V96 VanDerWaalsContact O-CG2 3.27Å; D41-V96 WeakPolarHBondContact O-CG2 3.49Å; D41-V96 PolarHBondContact O-N 3.06Å; A43-V96 HydrophobicContact CB-CG2 3.74Å; I93-V96 HydrophobicContact CB-CG2 4.3Å; I93-V96 HydrophobicContact CG2-CG2 4.15Å; I93-V96 WeakPolarHBondContact O-CG2 3.22Å; Q94-V96 PolarHBondContact O-N 3.3Å; V96-D100 HydrophobicContact CG1-CB 4.28Å; V96-L121 HydrophobicContact CG1-CD2 4.23Å; V96-V123 HydrophobicContact CG1-CB 4.33Å; V96-V123 HydrophobicContact CG1-CG1 3.95Å; V96-V123 HydrophobicContact CG1-CG2 3.43Å; V96-V123 VanDerWaalsContact CG1-CG2 3.43Å
97N96.4Very high93.1Very high57 Ų5738.7 Ų38.731%0.30520%0.203SC..  trans-112157.5177.4-169.3-1.2000110.1Q39 N95 H99 D100Q39-N97 PolarHBondContact NE2-OD1 2.99Å; N95-N97 PolarHBondContact O-N 3.37Å; N97-H99 PolarHBondContact O-N 2.96Å; N97-H99 VanDerWaalsContact O-N 3.1Å; N97-D100 PolarHBondContact N-OD2 2.86Å; N97-D100 VanDerWaalsContact O-CB 3.29Å; N97-D100 WeakPolarHBondContact O-CB 3.48Å; N97-D100 PolarHBondContact O-N 3.12Å
98V95.4Very high93.8Very high46 Ų4635.3 Ų35.328%0.27918%0.181SC..G310 helixtrans-52.7-32.7176.4-179.30000112.1D100 E101 V123 V125V98-D100 VanDerWaalsContact C-N 3.27Å; V98-D100 PolarHBondContact O-N 2.87Å; V98-E101 WeakPolarHBondContact O-CB 3.13Å; V98-E101 PolarHBondContact O-N 3.39Å; V98-V123 HydrophobicContact CG2-CG1 4.47Å; V98-V125 HydrophobicContact CG2-CG2 3.73Å
99H95.4Very high93.8Very high162 Ų16235.6 Ų35.675%0.7518%0.184SC*.G310 helixtrans-70.2-18.4176.6-59.9-52.8000114.6N97 E101N97-H99 PolarHBondContact O-N 2.96Å; N97-H99 VanDerWaalsContact O-N 3.1Å; H99-E101 PolarHBondContact O-N 2.86Å
100D95.9Very high93.5Very high17 Ų1735.7 Ų35.79%0.09119%0.187CC..G310 helixtrans-77-10.6177-56.5-36000111.5R77 V96 N97 V98 G102 Y104 L121R77-D100 IonicContact CZ-OD1 3.71Å; R77-D100 IonicContact CZ-OD2 3.42Å; R77-D100 IonicContact NH1-OD1 3.72Å; R77-D100 IonicContact NH1-OD2 2.73Å; R77-D100 PolarHBondContact NH1-OD2 2.84Å; R77-D100 IonicContact NH2-OD1 2.79Å; R77-D100 PolarHBondContact NH2-OD1 3.47Å; R77-D100 IonicContact NH2-OD2 3.27Å; R77-D100 PolarHBondContact NH2-OD2 3.38Å; V96-D100 HydrophobicContact CG1-CB 4.28Å; N97-D100 PolarHBondContact N-OD2 2.86Å; N97-D100 VanDerWaalsContact O-CB 3.29Å; N97-D100 WeakPolarHBondContact O-CB 3.48Å; N97-D100 PolarHBondContact O-N 3.12Å; V98-D100 VanDerWaalsContact C-N 3.27Å; V98-D100 PolarHBondContact O-N 2.87Å; D100-G102 PolarHBondContact O-N 3.28Å; D100-Y104 VanDerWaalsContact O-CE2 3.22Å; D100-Y104 WeakPolarHBondContact O-CE2 3.35Å; D100-Y104 PolarHBondContact O-OH 3.12Å; D100-L121 HydrophobicContact CB-CD2 4.11Å
101E95.8Very high92.8Very high53 Ų5342 Ų4225%0.24822%0.221CC..  trans-60134.8177.8172.6151.6133.400112.4R61 V98 H99 L121 I122 V123 R153R61-E101 PolarHBondContact NH2-O 2.94Å; V98-E101 WeakPolarHBondContact O-CB 3.13Å; V98-E101 PolarHBondContact O-N 3.39Å; H99-E101 PolarHBondContact O-N 2.86Å; E101-L121 WeakPolarHBondContact CA-O 3.32Å; E101-L121 VanDerWaalsContact CG-O 3.28Å; E101-L121 WeakPolarHBondContact CG-O 3.5Å; E101-I122 WeakPolarHBondContact OE2-CA 3.18Å; E101-V123 HydrophobicContact CB-CG2 4.1Å; E101-V123 PolarHBondContact OE2-N 3.05Å; E101-R153 VanDerWaalsContact CD-NH1 3.31Å; E101-R153 IonicContact OE1-CZ 2.63Å; E101-R153 IonicContact OE1-NH1 2.76Å; E101-R153 IonicContact OE1-NH2 2.68Å; E101-R153 PolarHBondContact OE1-NH2 2.81Å; E101-R153 IonicContact OE2-CZ 2.97Å; E101-R153 IonicContact OE2-NE 3.38Å; E101-R153 IonicContact OE2-NH1 3.13Å; E101-R153 PolarHBondContact OE2-NH1 2.78Å; E101-R153 IonicContact OE2-NH2 3.15Å; E101-R153 PolarHBondContact OE2-NH2 2.92Å
102G94.4Very high92Very high7 Ų751.3 Ų51.37%0.07226%0.261CS..EExtended strand (participates in β ladder)trans147.3-166.2170.400000113D100 Y104 H120 L121D100-G102 PolarHBondContact O-N 3.28Å; G102-Y104 WeakPolarHBondContact O-CD2 3.37Å; G102-H120 WeakPolarHBondContact O-CA 3.39Å; G102-L121 PolarHBondContact N-O 3.04Å; G102-L121 VanDerWaalsContact N-O 3.14Å; G102-L121 PolarHBondContact O-N 3.35Å
103P95Very high91.2Very high24 Ų2456.9 Ų56.916%0.15629%0.285CS..EExtended strand (participates in β ladder)trans-80.8125.6-178.230.9-33.1000112R61 K118 V119R61-P103 HydrophobicContact CG-CG 4Å; R61-P103 PolarHBondContact N-O 2.99Å; P103-K118 HydrophobicContact CB-CD 4.37Å; P103-K118 HydrophobicContact CB-CG 4.35Å; P103-V119 WeakPolarHBondContact CA-O 3.42Å
104Y95Very high90.4Very high4 Ų461.4 Ų61.42%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-106.9138.7167.1-66.9-99.9000109L45 L59 N60 L65 I93 D100 G102 K118 V119 L121L45-Y104 HydrophobicContact CD1-CD1 3.48Å; L45-Y104 VanDerWaalsContact CD1-CD1 3.48Å; L45-Y104 HydrophobicContact CD1-CD2 4.15Å; L45-Y104 HydrophobicContact CD1-CE1 4.11Å; L45-Y104 HydrophobicContact CD1-CG 3.5Å; L59-Y104 CarbonylContact O-C 3.56Å; L59-Y104 VanDerWaalsContact O-CA 3.28Å; L59-Y104 WeakPolarHBondContact O-CA 3.47Å; N60-Y104 HydrophobicContact CB-CD1 4.02Å; N60-Y104 HydrophobicContact CB-CE1 3.71Å; L65-Y104 HydrophobicContact CD1-CD1 3.9Å; L65-Y104 HydrophobicContact CD1-CE1 3.88Å; I93-Y104 HydrophobicContact CD1-CD1 4.39Å; I93-Y104 HydrophobicContact CD1-CE1 3.62Å; D100-Y104 VanDerWaalsContact O-CE2 3.22Å; D100-Y104 WeakPolarHBondContact O-CE2 3.35Å; D100-Y104 PolarHBondContact O-OH 3.12Å; G102-Y104 WeakPolarHBondContact O-CD2 3.37Å; Y104-K118 WeakPolarHBondContact O-CA 3.36Å; Y104-V119 PolarHBondContact N-O 3.33Å; Y104-V119 PolarHBondContact O-N 2.77Å; Y104-L121 HydrophobicContact CD2-CB 3.84Å; Y104-L121 HydrophobicContact CE2-CB 3.61Å; Y104-L121 HydrophobicContact CE2-CD2 3.85Å; Y104-L121 HydrophobicContact CE2-CG 4.38Å
105V93.6Very high89.9Confident32 Ų3263.3 Ų63.319%0.19432%0.322CS..EExtended strand (participates in β ladder)trans-122.5122-177.1-178.60000108.9L59 T117 K118L59-V105 HydrophobicContact CB-CB 4.44Å; L59-V105 PolarHBondContact N-O 2.99Å; L59-V105 PolarHBondContact O-N 2.57Å; V105-T117 WeakPolarHBondContact CA-O 3.44Å; V105-K118 HydrophobicContact CG2-CB 4.49Å; V105-K118 HydrophobicContact CG2-CG 4.19Å
106C91.9Very high89.4Confident0 Ų061.5 Ų61.50%032%0.317CS..EExtended strand (participates in β ladder)trans-88.1115.1162.1178.30000108.4C47 A57 W58 S116 T117C47-C106 HydrophobicContact CB-CB 3.54Å; C47-C106 WeakPolarHBondContact CB-SG 3.48Å; C47-C106 WeakPolarHBondContact SG-CB 3.21Å; C47-C106 CovalentContact SG-SG 2.01Å; C47-C106 PolarHBondContact SG-SG 3.28Å; A57-C106 CarbonylContact O-C 3.54Å; A57-C106 WeakPolarHBondContact O-CA 3.34Å; W58-C106 HydrophobicContact CD2-CB 4.03Å; W58-C106 HydrophobicContact CE3-CB 3.97Å; W58-C106 HydrophobicContact CH2-CB 3.77Å; W58-C106 HydrophobicContact CZ2-CB 3.84Å; W58-C106 HydrophobicContact CZ3-CB 3.83Å; C106-S116 CarbonylContact O-C 3.58Å; C106-S116 VanDerWaalsContact O-CA 3.24Å; C106-S116 WeakPolarHBondContact O-CA 3.23Å; C106-T117 PolarHBondContact N-O 2.89Å; C106-T117 PolarHBondContact O-N 3.26Å
107S90.7Very high88.9Confident24 Ų2463.1 Ų63.117%0.16833%0.327CS..EExtended strand (participates in β ladder)trans-101.9123.1175.8-176.60000109.6V56 A57V56-S107 CarbonylContact C-O 3.52Å; V56-S107 WeakPolarHBondContact CA-O 3.46Å; A57-S107 PolarHBondContact N-O 2.79Å; A57-S107 PolarHBondContact O-N 2.84Å
108I87.9Confident88.6Confident9 Ų964.2 Ų64.25%0.04633%0.329CS..EExtended strand (participates in β ladder)trans-116.8121.4-179.3-60.3166.2000108.3V49 V53 V56 T110 P114 K115V49-I108 HydrophobicContact CG2-CD1 4.49Å; V53-I108 HydrophobicContact CB-CG2 4.24Å; V53-I108 HydrophobicContact CG1-CG2 3.73Å; V53-I108 HydrophobicContact CG2-CG2 3.42Å; V53-I108 VanDerWaalsContact CG2-CG2 3.42Å; V56-I108 HydrophobicContact CG2-CG1 4Å; I108-T110 HydrophobicContact CG2-CG2 4Å; I108-P114 CarbonylContact O-C 3.56Å; I108-P114 WeakPolarHBondContact O-CA 3.14Å; I108-K115 HydrophobicContact CB-CB 4.43Å; I108-K115 PolarHBondContact N-O 2.98Å; I108-K115 PolarHBondContact O-N 3.25Å; I108-K115 VanDerWaalsContact O-O 3.13Å
109L84.9Confident88.5Confident57 Ų5762.1 Ų62.130%0.29832%0.316SS..EExtended strand (participates in β ladder)trans-91.6119.6168.4-17263.1000109.4S54 R55 P114S54-L109 PolarHBondContact N-O 2.94Å; S54-L109 WeakPolarHBondContact OG-CG 3.46Å; S54-L109 PolarHBondContact OG-O 2.82Å; S54-L109 VanDerWaalsContact OG-O 3.07Å; R55-L109 HydrophobicContact CB-CB 4.1Å; R55-L109 HydrophobicContact CG-CD2 4.46Å; R55-L109 PolarHBondContact O-N 2.81Å; L109-P114 HydrophobicContact CD1-CB 4.43Å; L109-P114 HydrophobicContact CD1-CG 3.96Å
110T80.8Confident88.4Confident25 Ų2557.3 Ų57.315%0.15329%0.294CS..EExtended strand (participates in β ladder)trans-107166.3172.576.60000110.3V53 I108 K112 K113 K115V53-T110 HydrophobicContact CG2-CG2 4.32Å; I108-T110 HydrophobicContact CG2-CG2 4Å; T110-K112 PolarHBondContact O-N 2.92Å; T110-K112 PolarHBondContact OG1-N 3.35Å; T110-K113 PolarHBondContact OG1-N 3.27Å; T110-K113 PolarHBondContact OG1-O 3.29Å; T110-K115 HydrophobicContact CG2-CD 4.45Å
111N77.1Confident88.4Confident132 Ų13256.5 Ų56.571%0.70629%0.29SS*.SBendtrans-64.3-7.9177.5-63.8-12.8000114.3
112K77.1Confident88.4Confident196 Ų19656.6 Ų56.685%0.85229%0.292SS*.SBendtrans-111.4-61.6179.3-64.9-174179-176.40112T110T110-K112 PolarHBondContact O-N 2.92Å; T110-K112 PolarHBondContact OG1-N 3.35Å
113K78.1Confident88.5Confident158 Ų15856.3 Ų56.369%0.68729%0.288SS*.  trans-144146.2-176.2-69.3-172.9177.8-178.20110.9T110T110-K113 PolarHBondContact OG1-N 3.27Å; T110-K113 PolarHBondContact OG1-O 3.29Å
114P81.6Confident88.6Confident97 Ų9757.3 Ų57.363%0.6329%0.291SS*.EExtended strand (participates in β ladder)trans-59.4141.3166-18.330.8000110.4I108 L109I108-P114 CarbonylContact O-C 3.56Å; I108-P114 WeakPolarHBondContact O-CA 3.14Å; L109-P114 HydrophobicContact CD1-CB 4.43Å; L109-P114 HydrophobicContact CD1-CG 3.96Å
115K85.9Confident88.6Confident124 Ų12458.6 Ų58.654%0.53930%0.299SS..EExtended strand (participates in β ladder)trans-123.2143.4171.4-68.5-175.2177.4-178.10108.1I108 T110I108-K115 HydrophobicContact CB-CB 4.43Å; I108-K115 PolarHBondContact N-O 2.98Å; I108-K115 PolarHBondContact O-N 3.25Å; I108-K115 VanDerWaalsContact O-O 3.13Å; T110-K115 HydrophobicContact CG2-CD 4.45Å
116S87Confident88.8Confident66 Ų6659.3 Ų59.346%0.46230%0.304SS..EExtended strand (participates in β ladder)trans-134.9133.2175.959.30000110.9C106C106-S116 CarbonylContact O-C 3.58Å; C106-S116 VanDerWaalsContact O-CA 3.24Å; C106-S116 WeakPolarHBondContact O-CA 3.23Å
117T87.1Confident89Confident36 Ų3659.7 Ų59.722%0.22131%0.307CS..EExtended strand (participates in β ladder)trans-110.9123.3172.9-55.60000108.4K32 V105 C106K32-T117 HydrophobicContact CB-CG2 3.85Å; K32-T117 HydrophobicContact CD-CG2 4.16Å; V105-T117 WeakPolarHBondContact CA-O 3.44Å; C106-T117 PolarHBondContact N-O 2.89Å; C106-T117 PolarHBondContact O-N 3.26Å
118K90.6Very high89.4Confident79 Ų7964.6 Ų64.634%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-100.9134.7178.5-171.7178.4-176.6-173.70109.4P103 Y104 V105 H120P103-K118 HydrophobicContact CB-CD 4.37Å; P103-K118 HydrophobicContact CB-CG 4.35Å; Y104-K118 WeakPolarHBondContact O-CA 3.36Å; V105-K118 HydrophobicContact CG2-CB 4.49Å; V105-K118 HydrophobicContact CG2-CG 4.19Å; K118-H120 VanDerWaalsContact CE-CE1 3.44Å; K118-H120 WeakPolarHBondContact CE-CE1 3.46Å
119V92.3Very high89.9Confident2 Ų264.1 Ų64.11%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-127.2136.1175.61790000107.8K32 I35 L45 W58 P103 Y104K32-V119 HydrophobicContact CB-CG2 4.36Å; I35-V119 HydrophobicContact CB-CG1 4.13Å; I35-V119 HydrophobicContact CD1-CG1 3.6Å; I35-V119 HydrophobicContact CG1-CG1 3.59Å; L45-V119 HydrophobicContact CD2-CG1 4.46Å; W58-V119 HydrophobicContact CH2-CG2 4.38Å; P103-V119 WeakPolarHBondContact CA-O 3.42Å; Y104-V119 PolarHBondContact N-O 3.33Å; Y104-V119 PolarHBondContact O-N 2.77Å
120H94.1Very high90.5Very high61 Ų6165.1 Ų65.128%0.28233%0.332SS..EExtended strand (participates in β ladder)trans-97.8122.7168.8-7686.1000109.6I35 G102 K118I35-H120 PolarHBondContact N-O 2.73Å; G102-H120 WeakPolarHBondContact O-CA 3.39Å; K118-H120 VanDerWaalsContact CE-CE1 3.44Å; K118-H120 WeakPolarHBondContact CE-CE1 3.46Å
121L95.5Very high91.3Very high0 Ų067.2 Ų67.20%034%0.342CS..EExtended strand (participates in β ladder)trans-83.6117168.3178.261.1000108.1I35 V37 A43 I93 V96 D100 E101 G102 Y104 V123I35-L121 HydrophobicContact CG2-CD1 4.09Å; I35-L121 CarbonylContact O-C 3.49Å; I35-L121 WeakPolarHBondContact O-CA 3.26Å; V37-L121 HydrophobicContact CB-CD1 4.38Å; V37-L121 HydrophobicContact CG2-CD1 4.28Å; A43-L121 HydrophobicContact CB-CD1 3.64Å; A43-L121 HydrophobicContact CB-CD2 4.34Å; I93-L121 HydrophobicContact CD1-CD2 4.29Å; V96-L121 HydrophobicContact CG1-CD2 4.23Å; D100-L121 HydrophobicContact CB-CD2 4.11Å; E101-L121 WeakPolarHBondContact CA-O 3.32Å; E101-L121 VanDerWaalsContact CG-O 3.28Å; E101-L121 WeakPolarHBondContact CG-O 3.5Å; G102-L121 PolarHBondContact N-O 3.04Å; G102-L121 VanDerWaalsContact N-O 3.14Å; G102-L121 PolarHBondContact O-N 3.35Å; Y104-L121 HydrophobicContact CD2-CB 3.84Å; Y104-L121 HydrophobicContact CE2-CB 3.61Å; Y104-L121 HydrophobicContact CE2-CD2 3.85Å; Y104-L121 HydrophobicContact CE2-CG 4.38Å; L121-V123 HydrophobicContact CD2-CG2 4.45Å; L121-V123 HydrophobicContact CG-CG2 4.16Å
122I95.3Very high92.3Very high56 Ų5662.3 Ų62.329%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-104.1123.3174.4-59.2176.2000108N34 I35 T36 V37 E101N34-I122 HydrophobicContact CB-CD1 3.83Å; N34-I122 HydrophobicContact CB-CG1 4.48Å; I35-I122 PolarHBondContact O-N 2.73Å; T36-I122 WeakPolarHBondContact CA-O 3.15Å; T36-I122 HydrophobicContact CG2-CB 4.39Å; T36-I122 HydrophobicContact CG2-CG2 4.35Å; V37-I122 PolarHBondContact N-O 3.46Å; E101-I122 WeakPolarHBondContact OE2-CA 3.18Å
123V96.6Very high93.3Very high0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans-104.2115.8-178.4-174.50000109.8V37 Q39 V96 V98 E101 L121 R153V37-V123 WeakPolarHBondContact O-CA 3.38Å; Q39-V123 HydrophobicContact CB-CG1 4.16Å; V96-V123 HydrophobicContact CG1-CB 4.33Å; V96-V123 HydrophobicContact CG1-CG1 3.95Å; V96-V123 HydrophobicContact CG1-CG2 3.43Å; V96-V123 VanDerWaalsContact CG1-CG2 3.43Å; V98-V123 HydrophobicContact CG2-CG1 4.47Å; E101-V123 HydrophobicContact CB-CG2 4.1Å; E101-V123 PolarHBondContact OE2-N 3.05Å; L121-V123 HydrophobicContact CD2-CG2 4.45Å; L121-V123 HydrophobicContact CG-CG2 4.16Å; V123-R153 WeakPolarHBondContact O-CD 3.38Å; V123-R153 PolarHBondContact O-NH1 3Å
124Q96.8Very high94.3Very high46 Ų4655.5 Ų55.522%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-96.5142.5-179.7-69.2179.9-30.800111.5T36 V37 R38 Q39 R153 I199T36-Q124 HydrophobicContact CG2-CG 3.56Å; T36-Q124 VanDerWaalsContact CG2-NE2 3.26Å; T36-Q124 VanDerWaalsContact CG2-OE1 3.23Å; V37-Q124 PolarHBondContact O-N 2.83Å; R38-Q124 CarbonylContact C-O 3.48Å; R38-Q124 WeakPolarHBondContact CA-O 3.4Å; Q39-Q124 PolarHBondContact N-O 2.9Å; Q124-R153 CarbonylContact C-O 3.45Å; Q124-R153 VanDerWaalsContact CA-O 3.23Å; Q124-R153 WeakPolarHBondContact CA-O 3.36Å; Q124-R153 WeakPolarHBondContact CB-O 3.37Å; Q124-I199 HydrophobicContact CB-CD1 4.24Å; Q124-I199 HydrophobicContact CB-CG1 4.16Å; Q124-I199 HydrophobicContact CB-CG2 4.06Å; Q124-I199 HydrophobicContact CG-CD1 4.01Å; Q124-I199 HydrophobicContact CG-CG1 4.43Å
125V96.5Very high95.1Very high30 Ų3056.5 Ų56.518%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-125.5120.3177.4-177.60000107.3Q39 V98 R153 N197Q39-V125 HydrophobicContact CB-CG2 4.11Å; V98-V125 HydrophobicContact CG2-CG2 3.73Å; V125-R153 HydrophobicContact CB-CB 3.83Å; V125-R153 HydrophobicContact CG2-CB 3.96Å; V125-R153 PolarHBondContact N-O 3.43Å; V125-R153 PolarHBondContact O-N 3.37Å; V125-N197 PolarHBondContact O-ND2 2.87Å
126P96.4Very high95.6Very high47 Ų4752.6 Ų52.631%0.30528%0.276SS..EExtended strand (participates in β ladder)trans-50.8144.8174.7-32.439.3000113.8I199 S200P126-I199 HydrophobicContact CG-CG2 4.32Å; P126-S200 WeakPolarHBondContact CB-OG 3.41Å
127A97.7Very high96.1Very high8 Ų853.5 Ų53.57%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-60.3135.5172.700000111.2V151 A156 A195 N197A127-V151 CarbonylContact C-O 3.49Å; A127-V151 VanDerWaalsContact CA-O 3.29Å; A127-V151 WeakPolarHBondContact CA-O 3.44Å; A127-A156 HydrophobicContact CB-CB 3.74Å; A127-A195 HydrophobicContact CB-CB 4.26Å; A127-N197 HydrophobicContact CB-CB 4.28Å; A127-N197 PolarHBondContact N-OD1 2.98Å; A127-N197 VanDerWaalsContact N-OD1 3.08Å
128K97.9Very high96.6Very high127 Ų12752.9 Ų52.955%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-144.2126.3179-174.3175.8-177177.90111.1T130 A150 V151K128-T130 PolarHBondContact O-N 2.87Å; K128-A150 CarbonylContact O-C 3.55Å; K128-A150 VanDerWaalsContact O-CA 3.25Å; K128-A150 WeakPolarHBondContact O-CA 3.2Å; K128-V151 HydrophobicContact CB-CG2 4.3Å; K128-V151 PolarHBondContact N-O 3.26Å; K128-V151 PolarHBondContact O-N 2.95Å
129I98.4Very high96.9Very high0 Ų052.7 Ų52.70%028%0.278CS..EExtended strand (participates in β ladder)trans-74.1121.2175.5-62.5169.1000108.7I132 Q149 A150 C193 A195 D203 R205I129-I132 HydrophobicContact CG2-CB 4.45Å; I129-Q149 WeakPolarHBondContact CA-O 3.48Å; I129-A150 HydrophobicContact CG1-CB 4.33Å; I129-C193 HydrophobicContact CD1-CB 4.3Å; I129-C193 WeakPolarHBondContact CD1-O 3.47Å; I129-A195 HydrophobicContact CD1-CB 4.14Å; I129-A195 HydrophobicContact CG1-CB 3.58Å; I129-D203 HydrophobicContact CD1-CB 4.47Å; I129-D203 WeakPolarHBondContact CD1-O 3.47Å; I129-D203 HydrophobicContact CG1-CB 4.32Å; I129-D203 PolarHBondContact N-OD2 3.42Å; I129-R205 HydrophobicContact CB-CG 4.16Å; I129-R205 HydrophobicContact CD1-CB 3.95Å; I129-R205 HydrophobicContact CD1-CG 3.9Å; I129-R205 HydrophobicContact CG2-CB 4.42Å; I129-R205 HydrophobicContact CG2-CG 4.1Å; I129-R205 PolarHBondContact O-NH2 3.1Å; I129-R205 VanDerWaalsContact O-NH2 3.15Å
130T98Very high97.1Very high78 Ų7856.6 Ų56.648%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-98.4-35.6-178.956.90000112K128 Q149 V151K128-T130 PolarHBondContact O-N 2.87Å; T130-Q149 PolarHBondContact N-O 3.32Å; T130-Q149 PolarHBondContact OG1-O 2.93Å; T130-V151 HydrophobicContact CG2-CB 4.39Å; T130-V151 HydrophobicContact CG2-CG1 3.81Å; T130-V151 HydrophobicContact CG2-CG2 3.78Å
131N97.9Very high97.2Very high69 Ų6955.8 Ų55.837%0.36930%0.304SS..EExtended strand (participates in β ladder)trans-141.4143.4-178.4-166.111.7000110.8C148 Q149N131-C148 WeakPolarHBondContact O-CA 3.23Å; N131-Q149 HydrophobicContact CB-CB 4.17Å; N131-Q149 HydrophobicContact CB-CG 4.49Å; N131-Q149 PolarHBondContact N-O 2.75Å; N131-Q149 PolarHBondContact ND2-OE1 3.49Å; N131-Q149 PolarHBondContact O-N 3.02Å
132I98.3Very high97.3Very high28 Ų2857.8 Ų57.814%0.14432%0.318CS..EExtended strand (participates in β ladder)trans-150.4145.5175.4-171171000109.4I129 M147 C148 W160 C193 R205I129-I132 HydrophobicContact CG2-CB 4.45Å; I132-M147 CarbonylContact C-O 3.57Å; I132-M147 VanDerWaalsContact CA-O 3.32Å; I132-M147 WeakPolarHBondContact CA-O 3.33Å; I132-C148 HydrophobicContact CG1-CB 4.42Å; I132-W160 HydrophobicContact CD1-CH2 4.38Å; I132-W160 HydrophobicContact CG1-CH2 4.31Å; I132-C193 HydrophobicContact CD1-CB 3.85Å; I132-R205 HydrophobicContact CD1-CB 3.68Å; I132-R205 HydrophobicContact CG2-CB 4.38Å
133S98.3Very high97.4Very high28 Ų2859.1 Ų59.120%0.19633%0.333CS..PPolyproline II helixtrans-53.3145.7171.5-72.60000111.9M147 V207S133-M147 PolarHBondContact N-O 2.95Å; S133-M147 PolarHBondContact OG-N 2.87Å; S133-V207 WeakPolarHBondContact O-CG2 3.33Å
134K97.9Very high97.4Very high184 Ų18459.9 Ų59.980%0.834%0.337SS*.PPolyproline II helixtrans-79.3163.9172.7-63.1-179.2-179177.40110.7V136 V207K134-V136 PolarHBondContact O-N 2.84Å; K134-V207 VanDerWaalsContact C-CG2 3.47Å; K134-V207 VanDerWaalsContact O-CG2 3.23Å; K134-V207 WeakPolarHBondContact O-CG2 3.48Å
135D97.9Very high97.4Very high118 Ų11861.5 Ų61.563%0.63135%0.347SS*.PPolyproline II helixtrans-53.6138.5174-62.9-13.6000111Q208D135-Q208 WeakPolarHBondContact CA-O 3.15Å; D135-Q208 HydrophobicContact CB-CB 4.12Å; D135-Q208 PolarHBondContact OD1-N 2.83Å
136V97.6Very high97.5Very high41 Ų4160.2 Ų60.225%0.24834%0.339CS..EExtended strand (participates in β ladder)trans-131.8141.2-173.768.30000110.5K134 V138 V144 L146 Q208 V209 T210K134-V136 PolarHBondContact O-N 2.84Å; V136-V138 HydrophobicContact CG2-CG1 3.91Å; V136-V144 HydrophobicContact CG1-CG1 3.99Å; V136-L146 HydrophobicContact CG1-CD2 4.33Å; V136-Q208 PolarHBondContact N-O 2.85Å; V136-V209 HydrophobicContact CG1-CB 4.35Å; V136-V209 HydrophobicContact CG1-CG1 4.18Å; V136-V209 HydrophobicContact CG1-CG2 3.94Å; V136-T210 PolarHBondContact O-N 3.21Å
137T97.2Very high97.5Very high85 Ų8560.6 Ų60.652%0.52134%0.338SS..EExtended strand (participates in β ladder)trans-119.1124.1171.9-57.60000108.7T210 N212T137-T210 CarbonylContact C-O 3.54Å; T137-T210 VanDerWaalsContact CA-O 3.26Å; T137-T210 WeakPolarHBondContact CA-O 3.26Å; T137-T210 HydrophobicContact CG2-CG2 4.08Å; T137-N212 WeakPolarHBondContact CG2-OD1 3.48Å
138V97.3Very high97.6Very high23 Ų2360.2 Ų60.214%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-134.2163.1-179-65.70000111V136 V144 I183 T210 V211 N212V136-V138 HydrophobicContact CG2-CG1 3.91Å; V138-V144 HydrophobicContact CB-CG2 4.18Å; V138-V144 HydrophobicContact CG1-CG2 3.61Å; V138-V144 HydrophobicContact CG2-CG2 3.66Å; V138-I183 HydrophobicContact CG2-CG2 3.86Å; V138-T210 PolarHBondContact N-O 2.82Å; V138-V211 CarbonylContact O-C 3.25Å; V138-V211 VanDerWaalsContact O-CA 3.32Å; V138-V211 WeakPolarHBondContact O-CA 3.46Å; V138-N212 PolarHBondContact O-N 3.36Å
139N97.4Very high97.6Very high76 Ų7657.3 Ų57.341%0.40632%0.323SS..EExtended strand (participates in β ladder)trans-84.5150.4174.4-61.7-13.6000110.7G141 S142 N212N139-G141 PolarHBondContact O-N 3.15Å; N139-S142 WeakPolarHBondContact O-CB 3.31Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 3.21Å; N139-N212 WeakPolarHBondContact OD1-CB 3.32Å; N139-N212 PolarHBondContact OD1-ND2 3.29Å
140E96.4Very high97.6Very high83 Ų8358.3 Ų58.339%0.38833%0.331SS..THydrogen-bonded Turntrans-52.4137173.4-173.1163.9-124.600111.3S142 K185 V211 N212E140-S142 VanDerWaalsContact C-N 3.31Å; E140-K185 PolarHBondContact OE1-N 2.84Å; E140-V211 HydrophobicContact CB-CG1 3.9Å; E140-N212 PolarHBondContact N-O 2.86Å
141G95.9Very high97.5Very high44 Ų4458.3 Ų58.345%0.45433%0.331SS..THydrogen-bonded Turntrans83-3.6-17400000115.2N139 I183N139-G141 PolarHBondContact O-N 3.15Å; G141-I183 PolarHBondContact N-O 2.8Å
142S97.6Very high97.5Very high43 Ų4356.2 Ų56.230%0.30133%0.326SS..  trans-75.1164173.6-53.90000112N139 E140 S182 I183N139-S142 WeakPolarHBondContact O-CB 3.31Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 3.21Å; E140-S142 VanDerWaalsContact C-N 3.31Å; S142-S182 PolarHBondContact O-N 3.09Å; S142-I183 WeakPolarHBondContact O-CG2 3.3Å; S142-I183 PolarHBondContact O-N 3.33Å
143S96.5Very high97.4Very high84 Ų8458.3 Ų58.359%0.58733%0.332SS*.  trans-104.7140.3170.7-600000111.4L180S143-L180 CarbonylContact C-O 3.54Å; S143-L180 WeakPolarHBondContact CA-O 3.47Å
144V96.4Very high97.2Very high16 Ų1660.3 Ų60.310%0.09734%0.344CS..EExtended strand (participates in β ladder)trans-129.9136.2179.5-179.70000109.4V136 V138 L146 L180V136-V144 HydrophobicContact CG1-CG1 3.99Å; V138-V144 HydrophobicContact CB-CG2 4.18Å; V138-V144 HydrophobicContact CG1-CG2 3.61Å; V138-V144 HydrophobicContact CG2-CG2 3.66Å; V144-L146 HydrophobicContact CG1-CD2 3.88Å; V144-L146 HydrophobicContact CG1-CG 4.12Å; V144-L180 HydrophobicContact CB-CB 4.37Å; V144-L180 PolarHBondContact N-O 3.15Å; V144-L180 PolarHBondContact O-N 2.9Å
145N97.4Very high97.1Very high80 Ų8060.2 Ų60.243%0.42835%0.347SS..EExtended strand (participates in β ladder)trans-115.2117.1169.4-1720.2000109.4L178 E179N145-L178 WeakPolarHBondContact CA-O 3.41Å; N145-L178 PolarHBondContact OD1-O 3.38Å; N145-E179 HydrophobicContact CB-CG 4.47Å
146L98.1Very high97.1Very high3 Ų355.4 Ų55.42%0.01632%0.323CS..EExtended strand (participates in β ladder)trans-99.1136.5175-59.1176.2000109.3V136 V144 W160 H177 L178 L180 Y191 V207 V209V136-L146 HydrophobicContact CG1-CD2 4.33Å; V144-L146 HydrophobicContact CG1-CD2 3.88Å; V144-L146 HydrophobicContact CG1-CG 4.12Å; L146-W160 HydrophobicContact CB-CH2 3.85Å; L146-W160 HydrophobicContact CB-CZ2 4.13Å; L146-W160 HydrophobicContact CB-CZ3 4.37Å; L146-W160 HydrophobicContact CD1-CZ3 4.39Å; L146-H177 CarbonylContact O-C 3.59Å; L146-H177 WeakPolarHBondContact O-CA 3.46Å; L146-L178 HydrophobicContact CB-CB 4.3Å; L146-L178 HydrophobicContact CD1-CD2 4.18Å; L146-L178 PolarHBondContact N-O 2.87Å; L146-L178 PolarHBondContact O-N 3.28Å; L146-L180 HydrophobicContact CD1-CD1 4.44Å; L146-Y191 HydrophobicContact CD1-CD1 4.39Å; L146-Y191 HydrophobicContact CD1-CD2 4.33Å; L146-Y191 HydrophobicContact CD1-CG 3.99Å; L146-V207 HydrophobicContact CD1-CG1 3.81Å; L146-V207 HydrophobicContact CD2-CG1 4.26Å; L146-V207 HydrophobicContact CD2-CG2 4.27Å; L146-V209 HydrophobicContact CD1-CG2 3.87Å; L146-V209 HydrophobicContact CD2-CG2 4.31Å
147M98.2Very high97.1Very high55 Ų5556.9 Ų56.927%0.27134%0.335SS..EExtended strand (participates in β ladder)trans-116.8142.4-179.6175.9-172.849.900109.6I132 S133 Q149 E176I132-M147 CarbonylContact C-O 3.57Å; I132-M147 VanDerWaalsContact CA-O 3.32Å; I132-M147 WeakPolarHBondContact CA-O 3.33Å; S133-M147 PolarHBondContact N-O 2.95Å; S133-M147 PolarHBondContact OG-N 2.87Å; M147-Q149 HydrophobicContact CG-CG 4.25Å; M147-Q149 HydrophobicContact SD-CG 4.38Å; M147-E176 CarbonylContact C-O 3.49Å; M147-E176 WeakPolarHBondContact CA-O 3.31Å
148C98.4Very high97.1Very high0 Ų053.4 Ų53.40%031%0.313CS..EExtended strand (participates in β ladder)trans-143.6133.1170.6-173.40000109.7N131 I132 I158 W160 E176 C193N131-C148 WeakPolarHBondContact O-CA 3.23Å; I132-C148 HydrophobicContact CG1-CB 4.42Å; C148-I158 HydrophobicContact CB-CG2 4.36Å; C148-I158 WeakPolarHBondContact O-CD1 3.33Å; C148-W160 HydrophobicContact CB-CH2 3.83Å; C148-W160 HydrophobicContact CB-CZ2 3.35Å; C148-E176 PolarHBondContact N-O 2.83Å; C148-E176 VanDerWaalsContact O-CA 3.3Å; C148-E176 WeakPolarHBondContact O-CA 3.37Å; C148-E176 VanDerWaalsContact O-CB 3.31Å; C148-E176 WeakPolarHBondContact O-CB 3.44Å; C148-C193 HydrophobicContact CB-CB 3.62Å; C148-C193 WeakPolarHBondContact CB-SG 3.18Å; C148-C193 WeakPolarHBondContact SG-CB 3.48Å; C148-C193 CovalentContact SG-SG 2.01Å; C148-C193 PolarHBondContact SG-SG 3.41Å
149Q98.3Very high97.2Very high66 Ų6654 Ų5431%0.30832%0.317SS..EExtended strand (participates in β ladder)trans-127134.8-179.1-59.5-179.8-59.400109.4I129 T130 N131 M147I129-Q149 WeakPolarHBondContact CA-O 3.48Å; T130-Q149 PolarHBondContact N-O 3.32Å; T130-Q149 PolarHBondContact OG1-O 2.93Å; N131-Q149 HydrophobicContact CB-CB 4.17Å; N131-Q149 HydrophobicContact CB-CG 4.49Å; N131-Q149 PolarHBondContact N-O 2.75Å; N131-Q149 PolarHBondContact ND2-OE1 3.49Å; N131-Q149 PolarHBondContact O-N 3.02Å; M147-Q149 HydrophobicContact CG-CG 4.25Å; M147-Q149 HydrophobicContact SD-CG 4.38Å
150A98.1Very high97.2Very high20 Ų2050.3 Ų50.317%0.16530%0.297CS..EExtended strand (participates in β ladder)trans-132.9150.8-179.300000111K128 I129 A156 I158 A195K128-A150 CarbonylContact O-C 3.55Å; K128-A150 VanDerWaalsContact O-CA 3.25Å; K128-A150 WeakPolarHBondContact O-CA 3.2Å; I129-A150 HydrophobicContact CG1-CB 4.33Å; A150-A156 HydrophobicContact CB-CB 4.01Å; A150-I158 HydrophobicContact CB-CD1 3.99Å; A150-I158 HydrophobicContact CB-CG1 4.16Å; A150-A195 HydrophobicContact CB-CB 3.46Å; A150-A195 VanDerWaalsContact CB-CB 3.46Å
151V97.1Very high97.1Very high79 Ų7949.9 Ų49.948%0.47929%0.292SS..EExtended strand (participates in β ladder)trans-113.6152.5172-610000108.8A127 K128 T130A127-V151 CarbonylContact C-O 3.49Å; A127-V151 VanDerWaalsContact CA-O 3.29Å; A127-V151 WeakPolarHBondContact CA-O 3.44Å; K128-V151 HydrophobicContact CB-CG2 4.3Å; K128-V151 PolarHBondContact N-O 3.26Å; K128-V151 PolarHBondContact O-N 2.95Å; T130-V151 HydrophobicContact CG2-CB 4.39Å; T130-V151 HydrophobicContact CG2-CG1 3.81Å; T130-V151 HydrophobicContact CG2-CG2 3.78Å
152G96.4Very high97Very high25 Ų2548.7 Ų48.726%0.25828%0.275SS..EExtended strand (participates in β ladder)trans180161.817800000110.9P154G152-P154 CarbonylContact C-O 3.51Å; G152-P154 CarbonylContact O-C 3.57Å
153R95.9Very high96.5Very high71 Ų7149.8 Ų49.827%0.26828%0.275SS..EExtended strand (participates in β ladder)trans-136.8110.7170.9-166.2166.8-175.1-137.919.5110.9E101 V123 Q124 V125 N197E101-R153 VanDerWaalsContact CD-NH1 3.31Å; E101-R153 IonicContact OE1-CZ 2.63Å; E101-R153 IonicContact OE1-NH1 2.76Å; E101-R153 IonicContact OE1-NH2 2.68Å; E101-R153 PolarHBondContact OE1-NH2 2.81Å; E101-R153 IonicContact OE2-CZ 2.97Å; E101-R153 IonicContact OE2-NE 3.38Å; E101-R153 IonicContact OE2-NH1 3.13Å; E101-R153 PolarHBondContact OE2-NH1 2.78Å; E101-R153 IonicContact OE2-NH2 3.15Å; E101-R153 PolarHBondContact OE2-NH2 2.92Å; V123-R153 WeakPolarHBondContact O-CD 3.38Å; V123-R153 PolarHBondContact O-NH1 3Å; Q124-R153 CarbonylContact C-O 3.45Å; Q124-R153 VanDerWaalsContact CA-O 3.23Å; Q124-R153 WeakPolarHBondContact CA-O 3.36Å; Q124-R153 WeakPolarHBondContact CB-O 3.37Å; V125-R153 HydrophobicContact CB-CB 3.83Å; V125-R153 HydrophobicContact CG2-CB 3.96Å; V125-R153 PolarHBondContact N-O 3.43Å; V125-R153 PolarHBondContact O-N 3.37Å; R153-N197 PolarHBondContact N-ND2 3.17Å
154P95.4Very high95.4Very high71 Ų7147.5 Ų47.546%0.46126%0.259SS..SBendcis-56.7162.4-0.8-22.935000113.7G152 A156 N197G152-P154 CarbonylContact C-O 3.51Å; G152-P154 CarbonylContact O-C 3.57Å; P154-A156 PolarHBondContact O-N 2.95Å; P154-N197 VanDerWaalsContact O-CB 3.3Å; P154-N197 WeakPolarHBondContact O-CB 3.32Å; P154-N197 PolarHBondContact O-ND2 2.84Å
155E96.2Very high93.8Very high182 Ų18251.4 Ų51.485%0.8529%0.293SS*.PPolyproline II helixtrans-49.3134.8-179.7-172.7174.2-176.400110.8
156A97.3Very high92.3Very high17 Ų1757.6 Ų57.614%0.1431%0.31CS..PPolyproline II helixtrans-77.5131.6-17400000110.8A127 A150 P154 S196A127-A156 HydrophobicContact CB-CB 3.74Å; A150-A156 HydrophobicContact CB-CB 4.01Å; P154-A156 PolarHBondContact O-N 2.95Å; A156-S196 CarbonylContact C-O 3.54Å; A156-S196 WeakPolarHBondContact CA-O 3.45Å
157S97.5Very high90.6Very high71 Ų7160 Ų6050%0.49734%0.335SS..EExtended strand (participates in β ladder)trans-81.7143.4166.461.50000110.1A195 S196S157-A195 WeakPolarHBondContact O-CA 3.34Å; S157-S196 PolarHBondContact N-O 2.81Å; S157-S196 PolarHBondContact O-N 3.48Å; S157-S196 PolarHBondContact OG-O 2.82Å
158I98.3Very high89.3Confident12 Ų1259.6 Ų59.66%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-115.1131.4178.5-62.7-176.7000109.8C148 A150 E174 G175 E176 C193 I194C148-I158 HydrophobicContact CB-CG2 4.36Å; C148-I158 WeakPolarHBondContact O-CD1 3.33Å; A150-I158 HydrophobicContact CB-CD1 3.99Å; A150-I158 HydrophobicContact CB-CG1 4.16Å; I158-E174 WeakPolarHBondContact O-CA 3.32Å; I158-G175 VanDerWaalsContact CG2-O 3.31Å; I158-G175 WeakPolarHBondContact CG2-O 3.4Å; I158-G175 PolarHBondContact O-N 2.86Å; I158-E176 HydrophobicContact CD1-CG 4.09Å; I158-C193 VanDerWaalsContact CG2-SG 3.57Å; I158-I194 WeakPolarHBondContact CA-O 3.38Å
159T97.8Very high88.2Confident35 Ų3564.2 Ų64.222%0.21537%0.367CS..EExtended strand (participates in β ladder)trans-127.7135175.5-53.80000110.4F171 I194T159-F171 HydrophobicContact CG2-CD2 3.76Å; T159-F171 HydrophobicContact CG2-CE2 3.6Å; T159-I194 PolarHBondContact N-O 3.25Å; T159-I194 PolarHBondContact O-N 2.8Å
160W97.9Very high87.6Confident0 Ų068.4 Ų68.40%038%0.384CS..EExtended strand (participates in β ladder)trans-100.6136.1174.6-72.596.4000112.1I132 L146 C148 V172 T173 G175 L178 E192 C193 V207I132-W160 HydrophobicContact CD1-CH2 4.38Å; I132-W160 HydrophobicContact CG1-CH2 4.31Å; L146-W160 HydrophobicContact CB-CH2 3.85Å; L146-W160 HydrophobicContact CB-CZ2 4.13Å; L146-W160 HydrophobicContact CB-CZ3 4.37Å; L146-W160 HydrophobicContact CD1-CZ3 4.39Å; C148-W160 HydrophobicContact CB-CH2 3.83Å; C148-W160 HydrophobicContact CB-CZ2 3.35Å; W160-V172 HydrophobicContact CB-CB 4.32Å; W160-V172 PolarHBondContact O-N 3.39Å; W160-T173 HydrophobicContact CB-CG2 4.2Å; W160-T173 HydrophobicContact CG-CG2 4.37Å; W160-T173 PolarHBondContact N-O 3.19Å; W160-G175 PolarHBondContact NE1-O 2.77Å; W160-G175 VanDerWaalsContact NE1-O 3.15Å; W160-L178 HydrophobicContact CB-CD2 4.01Å; W160-L178 HydrophobicContact CD2-CB 3.94Å; W160-L178 HydrophobicContact CD2-CD2 4.05Å; W160-L178 HydrophobicContact CE3-CD2 4.13Å; W160-L178 HydrophobicContact CG-CB 3.87Å; W160-L178 HydrophobicContact CG-CD2 4.04Å; W160-E192 WeakPolarHBondContact CA-O 3.4Å; W160-C193 HydrophobicContact CD2-CB 4.39Å; W160-C193 HydrophobicContact CE3-CB 4.06Å; W160-C193 HydrophobicContact CH2-CB 3.95Å; W160-C193 HydrophobicContact CZ2-CB 4.27Å; W160-C193 HydrophobicContact CZ3-CB 3.83Å; W160-V207 HydrophobicContact CH2-CG1 4.4Å; W160-V207 HydrophobicContact CZ3-CG1 3.96Å
161R95Very high87Confident74 Ų7473.2 Ų73.228%0.27940%0.401SS..EExtended strand (participates in β ladder)trans-132.2130.2-179.7-166.8167.274.1179.7-2.4110.5H169 K170 Y191 E192 I194R161-H169 HydrophobicContact CG-CB 3.87Å; R161-H169 PolarHBondContact NE-ND1 3.33Å; R161-K170 WeakPolarHBondContact CA-O 2.95Å; R161-Y191 CarbonylContact O-C 3.47Å; R161-Y191 WeakPolarHBondContact O-CA 3.48Å; R161-E192 HydrophobicContact CB-CB 4.36Å; R161-E192 IonicContact CZ-OE2 3.04Å; R161-E192 PolarHBondContact N-O 2.78Å; R161-E192 IonicContact NE-OE2 2.63Å; R161-E192 PolarHBondContact NE-OE2 2.68Å; R161-E192 IonicContact NH2-OE1 3.97Å; R161-E192 IonicContact NH2-OE2 3.37Å; R161-E192 PolarHBondContact NH2-OE2 2.76Å; R161-E192 PolarHBondContact O-N 2.87Å; R161-I194 HydrophobicContact CB-CD1 4.13Å
162H93.1Very high86.4Confident18 Ų1871.9 Ų71.98%0.08339%0.393CS..EExtended strand (participates in β ladder)trans-95.2126175.6179.6-131.7000109.7H169 K170 V172 Q187 Y191H162-H169 WeakPolarHBondContact O-CA 3.42Å; H162-K170 PolarHBondContact N-O 2.85Å; H162-K170 PolarHBondContact O-N 3.23Å; H162-V172 HydrophobicContact CB-CG2 3.59Å; H162-Q187 PolarHBondContact NE2-O 2.85Å; H162-Y191 HydrophobicContact CB-CD1 4.1Å; H162-Y191 HydrophobicContact CB-CE1 3.85Å; H162-Y191 AromaticContact CD2-CD2 3.85Å; H162-Y191 AromaticContact CD2-CE1 3.68Å; H162-Y191 AromaticContact CD2-CE2 3.44Å; H162-Y191 VanDerWaalsContact CD2-CE2 3.44Å; H162-Y191 WeakPolarHBondContact CD2-CE2 3.37Å; H162-Y191 AromaticContact CD2-CZ 3.36Å; H162-Y191 AromaticContact CG-CE1 3.95Å; H162-Y191 AromaticContact CG-CZ 3.96Å; H162-Y191 AromaticContact NE2-CE2 3.79Å; H162-Y191 AromaticContact NE2-CZ 3.82Å
163Q88.4Confident86.3Confident66 Ų6673 Ų7331%0.30840%0.395SS..EExtended strand (participates in β ladder)trans-98.4106.3169.4-169176.93300108.4T190Q163-T190 PolarHBondContact N-O 2.86Å; Q163-T190 PolarHBondContact O-N 2.88Å
164S72.1Confident86.2Confident37 Ų3776 Ų7626%0.25941%0.412SS..EExtended strand (participates in β ladder)trans-68.3148.2179.1-177.90000111R166 G167 G168S164-R166 PolarHBondContact O-N 2.8Å; S164-R166 VanDerWaalsContact O-N 3.09Å; S164-R166 PolarHBondContact OG-N 2.81Å; S164-G167 PolarHBondContact O-N 2.87Å; S164-G168 PolarHBondContact N-O 3.49Å
165A63.4Low86.2Confident97 Ų9774.1 Ų74.180%0.80241%0.406SS*.THydrogen-bonded Turntrans-58.4-19.2171.700000114G167A165-G167 VanDerWaalsContact C-N 3.31Å
166R65.6Low86.3Confident211 Ų21169.5 Ų69.580%0.79638%0.384SS*.THydrogen-bonded Turntrans-87.93.6176.2-55.7-174.1-156.2-178.17.5113.6S164S164-R166 PolarHBondContact O-N 2.8Å; S164-R166 VanDerWaalsContact O-N 3.09Å; S164-R166 PolarHBondContact OG-N 2.81Å
167G61.4Low86.3Confident52 Ų5273 Ų7354%0.53640%0.398SS..SBendtrans82.7151-171.200000112S164 A165S164-G167 PolarHBondContact O-N 2.87Å; A165-G167 VanDerWaalsContact C-N 3.31Å
168G71.9Confident86.2Confident47 Ų4769.8 Ų69.849%0.48538%0.375SS..  trans107.1145.1-176.400000112.9S164S164-G168 PolarHBondContact N-O 3.49Å
169H76Confident86.2Confident98 Ų9875.6 Ų75.645%0.45440%0.402SS..EExtended strand (participates in β ladder)trans-108.1125.7176.7-65.8-91.1000109R161 H162 E192R161-H169 HydrophobicContact CG-CB 3.87Å; R161-H169 PolarHBondContact NE-ND1 3.33Å; H162-H169 WeakPolarHBondContact O-CA 3.42Å; H169-E192 IonicContact CE1-OE2 2.63Å; H169-E192 PolarHBondContact CE1-OE2 3.16Å; H169-E192 IonicContact ND1-OE2 3.79Å; H169-E192 PolarHBondContact ND1-OE2 3.38Å; H169-E192 VanDerWaalsContact ND1-OE2 3.16Å
170K85.1Confident86Confident154 Ų15474.3 Ų74.367%0.6739%0.394SS*.EExtended strand (participates in β ladder)trans-114.3126.9176-172.1178.9174.1-176.20109.3R161 H162 V172R161-K170 WeakPolarHBondContact CA-O 2.95Å; H162-K170 PolarHBondContact N-O 2.85Å; H162-K170 PolarHBondContact O-N 3.23Å; K170-V172 PolarHBondContact O-N 3.41Å
171F84.9Confident86Confident120 Ų12079.8 Ų79.853%0.52642%0.422SS..EExtended strand (participates in β ladder)trans-59.2134.3168.1173.3-88.5000109.5T159 E174T159-F171 HydrophobicContact CG2-CD2 3.76Å; T159-F171 HydrophobicContact CG2-CE2 3.6Å; F171-E174 HydrophobicContact CE2-CG 3.97Å; F171-E174 HydrophobicContact CZ-CG 3.96Å
172V85.4Confident86Confident51 Ų5179.7 Ų79.731%0.30943%0.433SS..EExtended strand (participates in β ladder)trans-109.8-62.6-179.6-168.80000110.6W160 H162 K170 L178 Y191W160-V172 HydrophobicContact CB-CB 4.32Å; W160-V172 PolarHBondContact O-N 3.39Å; H162-V172 HydrophobicContact CB-CG2 3.59Å; K170-V172 PolarHBondContact O-N 3.41Å; V172-L178 HydrophobicContact CB-CD1 4.4Å; V172-L178 HydrophobicContact CG1-CD1 3.4Å; V172-L178 VanDerWaalsContact CG1-CD1 3.4Å; V172-L178 HydrophobicContact CG1-CD2 4.1Å; V172-L178 HydrophobicContact CG1-CG 4.43Å; V172-Y191 HydrophobicContact CG2-CE1 4.39Å
173T93.3Very high86.1Confident48 Ų4878.9 Ų78.929%0.29443%0.429SS..EExtended strand (participates in β ladder)trans-162.1166.3-178.3-165.80000111.1W160 L178W160-T173 HydrophobicContact CB-CG2 4.2Å; W160-T173 HydrophobicContact CG-CG2 4.37Å; W160-T173 PolarHBondContact N-O 3.19Å; T173-L178 HydrophobicContact CG2-CB 4.22Å; T173-L178 HydrophobicContact CG2-CD1 3.82Å
174E94.7Very high86.4Confident134 Ų13478.2 Ų78.263%0.62643%0.43SS*.EExtended strand (participates in β ladder)trans-102.5155.4164.7-71.8171.4-172.400110.4I158 F171I158-E174 WeakPolarHBondContact O-CA 3.32Å; F171-E174 HydrophobicContact CE2-CG 3.97Å; F171-E174 HydrophobicContact CZ-CG 3.96Å
175G95.6Very high87.4Confident33 Ų3380.1 Ų80.134%0.3443%0.433SS..SBendtrans111.7167.3178.500000114.2I158 W160 H177I158-G175 VanDerWaalsContact CG2-O 3.31Å; I158-G175 WeakPolarHBondContact CG2-O 3.4Å; I158-G175 PolarHBondContact O-N 2.86Å; W160-G175 PolarHBondContact NE1-O 2.77Å; W160-G175 VanDerWaalsContact NE1-O 3.15Å; G175-H177 PolarHBondContact O-N 3.44Å
176E97.1Very high88.7Confident84 Ų8479.8 Ų79.839%0.39342%0.415SS..SBendtrans-65.7-27.3-176.9-59.6-159.8134.200113.2M147 C148 I158M147-E176 CarbonylContact C-O 3.49Å; M147-E176 WeakPolarHBondContact CA-O 3.31Å; C148-E176 PolarHBondContact N-O 2.83Å; C148-E176 VanDerWaalsContact O-CA 3.3Å; C148-E176 WeakPolarHBondContact O-CA 3.37Å; C148-E176 VanDerWaalsContact O-CB 3.31Å; C148-E176 WeakPolarHBondContact O-CB 3.44Å; I158-E176 HydrophobicContact CD1-CG 4.09Å
177H97.1Very high89.9Confident90 Ų9072.7 Ų72.742%0.41739%0.391SS..EExtended strand (participates in β ladder)trans-114.1138.7-174.5-63.484.2000111.5L146 G175L146-H177 CarbonylContact O-C 3.59Å; L146-H177 WeakPolarHBondContact O-CA 3.46Å; G175-H177 PolarHBondContact O-N 3.44Å
178L97.1Very high91.4Very high5 Ų571.3 Ų71.33%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-122.2111.4171.1165.858.6000109.2N145 L146 W160 V172 T173 L180 Y191N145-L178 WeakPolarHBondContact CA-O 3.41Å; N145-L178 PolarHBondContact OD1-O 3.38Å; L146-L178 HydrophobicContact CB-CB 4.3Å; L146-L178 HydrophobicContact CD1-CD2 4.18Å; L146-L178 PolarHBondContact N-O 2.87Å; L146-L178 PolarHBondContact O-N 3.28Å; W160-L178 HydrophobicContact CB-CD2 4.01Å; W160-L178 HydrophobicContact CD2-CB 3.94Å; W160-L178 HydrophobicContact CD2-CD2 4.05Å; W160-L178 HydrophobicContact CE3-CD2 4.13Å; W160-L178 HydrophobicContact CG-CB 3.87Å; W160-L178 HydrophobicContact CG-CD2 4.04Å; V172-L178 HydrophobicContact CB-CD1 4.4Å; V172-L178 HydrophobicContact CG1-CD1 3.4Å; V172-L178 VanDerWaalsContact CG1-CD1 3.4Å; V172-L178 HydrophobicContact CG1-CD2 4.1Å; V172-L178 HydrophobicContact CG1-CG 4.43Å; T173-L178 HydrophobicContact CG2-CB 4.22Å; T173-L178 HydrophobicContact CG2-CD1 3.82Å; L178-L180 HydrophobicContact CD1-CD2 3.98Å; L178-L180 HydrophobicContact CD1-CG 4.41Å; L178-L180 HydrophobicContact CD2-CD2 4.41Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-L180 HydrophobicContact CG-CG 4.23Å; L178-Y191 HydrophobicContact CD2-CD1 3.44Å; L178-Y191 VanDerWaalsContact CD2-CD1 3.44Å; L178-Y191 HydrophobicContact CD2-CE1 3.75Å; L178-Y191 HydrophobicContact CD2-CG 4.4Å
179E96.3Very high92.5Very high133 Ų13369.4 Ų69.462%0.62135%0.354SS*.EExtended strand (participates in β ladder)trans-94.8122.2175-63.3-175.8175.700110.8N145N145-E179 HydrophobicContact CB-CG 4.47Å
180L95.5Very high93.4Very high9 Ų966.2 Ų66.25%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-111.1104.2174.1-59.6171.4000107.5S143 V144 L146 L178 I183 Y191S143-L180 CarbonylContact C-O 3.54Å; S143-L180 WeakPolarHBondContact CA-O 3.47Å; V144-L180 HydrophobicContact CB-CB 4.37Å; V144-L180 PolarHBondContact N-O 3.15Å; V144-L180 PolarHBondContact O-N 2.9Å; L146-L180 HydrophobicContact CD1-CD1 4.44Å; L178-L180 HydrophobicContact CD1-CD2 3.98Å; L178-L180 HydrophobicContact CD1-CG 4.41Å; L178-L180 HydrophobicContact CD2-CD2 4.41Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-L180 HydrophobicContact CG-CG 4.23Å; L180-I183 HydrophobicContact CB-CD1 4.31Å; L180-I183 HydrophobicContact CD1-CD1 3.89Å; L180-Y191 HydrophobicContact CD1-CE1 3.9Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 WeakPolarHBondContact CD1-OH 3.31Å; L180-Y191 HydrophobicContact CD2-CE1 4.02Å
181I96.1Very high93.9Very high114 Ų11459 Ų5959%0.58531%0.31SS*.  trans-97137.4-178.6-58171.7000109.2I183I181-I183 PolarHBondContact O-N 2.98Å
182S96.4Very high94.5Very high73 Ų7353.8 Ų53.851%0.5129%0.287SS..SBendtrans50.653.1178.6-59.80000112.8S142S142-S182 PolarHBondContact O-N 3.09Å
183I95.6Very high95.1Very high0 Ų051.3 Ų51.30%027%0.272CS..  trans-61.4134.5-169.5-163.6172.1000112.6V138 G141 S142 L180 I181 Q187 V209 V211V138-I183 HydrophobicContact CG2-CG2 3.86Å; G141-I183 PolarHBondContact N-O 2.8Å; S142-I183 WeakPolarHBondContact O-CG2 3.3Å; S142-I183 PolarHBondContact O-N 3.33Å; L180-I183 HydrophobicContact CB-CD1 4.31Å; L180-I183 HydrophobicContact CD1-CD1 3.89Å; I181-I183 PolarHBondContact O-N 2.98Å; I183-Q187 HydrophobicContact CD1-CB 4.27Å; I183-Q187 HydrophobicContact CG1-CB 3.73Å; I183-V209 HydrophobicContact CD1-CG1 3.64Å; I183-V211 HydrophobicContact CD1-CG2 3.69Å; I183-V211 HydrophobicContact CG1-CG2 3.93Å; I183-V211 HydrophobicContact CG2-CG1 4.33Å; I183-V211 HydrophobicContact CG2-CG2 4.09Å
184T94.4Very high95.3Very high53 Ų5350.2 Ų50.233%0.32526%0.264SS..  trans-97.8161.417683.90000112.2E186 Q187T184-E186 WeakPolarHBondContact CB-OE2 3.14Å; T184-E186 PolarHBondContact O-N 2.9Å; T184-E186 PolarHBondContact OG1-N 2.01Å; T184-E186 PolarHBondContact OG1-OE2 2.84Å; T184-Q187 WeakPolarHBondContact O-CB 3.31Å; T184-Q187 PolarHBondContact O-N 3.15Å
185K92.1Very high95.5Very high76 Ų7643.8 Ų43.833%0.3323%0.234SC..G310 helixtrans-57.2-28.3175.169.4-170177.2-165.30114.2E140 Q187 S188 Y213E140-K185 PolarHBondContact OE1-N 2.84Å; K185-Q187 VanDerWaalsContact C-N 3.26Å; K185-Q187 PolarHBondContact O-N 3.02Å; K185-S188 WeakPolarHBondContact O-CB 3.4Å; K185-S188 PolarHBondContact O-N 2.83Å; K185-Y213 HydrophobicContact CB-CD1 3.48Å; K185-Y213 VanDerWaalsContact CB-CD1 3.48Å; K185-Y213 HydrophobicContact CB-CE1 3.79Å; K185-Y213 HydrophobicContact CB-CG 3.93Å; K185-Y213 HydrophobicContact CD-CD1 4.39Å; K185-Y213 HydrophobicContact CD-CD2 4.02Å; K185-Y213 HydrophobicContact CD-CE2 4.2Å; K185-Y213 HydrophobicContact CD-CG 4.13Å
186E90.6Very high95.6Very high90 Ų9043.3 Ų43.342%0.42123%0.225SC..G310 helixtrans-70.7-22.1176.7-64.871-151.500113.1T184 S188T184-E186 WeakPolarHBondContact CB-OE2 3.14Å; T184-E186 PolarHBondContact O-N 2.9Å; T184-E186 PolarHBondContact OG1-N 2.01Å; T184-E186 PolarHBondContact OG1-OE2 2.84Å; E186-S188 VanDerWaalsContact C-N 3.33Å
187Q91.9Very high95.5Very high62 Ų6239.9 Ų39.929%0.2921%0.21SC..G310 helixtrans-85.4-8.3175.8-64.9176.7-68.500112.1H162 I183 T184 K185 Y191H162-Q187 PolarHBondContact NE2-O 2.85Å; I183-Q187 HydrophobicContact CD1-CB 4.27Å; I183-Q187 HydrophobicContact CG1-CB 3.73Å; T184-Q187 WeakPolarHBondContact O-CB 3.31Å; T184-Q187 PolarHBondContact O-N 3.15Å; K185-Q187 VanDerWaalsContact C-N 3.26Å; K185-Q187 PolarHBondContact O-N 3.02Å; Q187-Y191 WeakPolarHBondContact O-CE2 3.25Å; Q187-Y191 PolarHBondContact O-OH 2.98Å
188S93.1Very high95.4Very high24 Ų2442.8 Ų42.817%0.16823%0.228CC..  trans-61.5139.8168.8-170.70000110.8K185 E186 V209 V211K185-S188 WeakPolarHBondContact O-CB 3.4Å; K185-S188 PolarHBondContact O-N 2.83Å; E186-S188 VanDerWaalsContact C-N 3.33Å; S188-V209 WeakPolarHBondContact CA-O 3.45Å; S188-V209 PolarHBondContact OG-O 2.63Å; S188-V211 PolarHBondContact OG-N 2.82Å
189G93.8Very high95.2Very high7 Ų743.4 Ų43.47%0.07223%0.231CC..EExtended strand (participates in β ladder)trans150.9-166.8-177.200000112.5Q208 V209G189-Q208 PolarHBondContact O-NE2 3.04Å; G189-V209 PolarHBondContact N-O 2.94Å; G189-V209 PolarHBondContact O-N 2.9Å
190T95.5Very high95Very high31 Ų3139.1 Ų39.119%0.1922%0.216CC..EExtended strand (participates in β ladder)trans-91.9125.3-179.1-50.10000109.5Q163 R206 Q208Q163-T190 PolarHBondContact N-O 2.86Å; Q163-T190 PolarHBondContact O-N 2.88Å; T190-R206 HydrophobicContact CG2-CB 3.72Å; T190-R206 HydrophobicContact CG2-CG 4.1Å; T190-Q208 PolarHBondContact OG1-OE1 2.63Å
191Y96.3Very high94.9Very high3 Ų343.7 Ų43.71%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-101.1129.5170.9-72-99.7000108.9L146 R161 H162 V172 L178 L180 Q187 R206 V207 V209L146-Y191 HydrophobicContact CD1-CD1 4.39Å; L146-Y191 HydrophobicContact CD1-CD2 4.33Å; L146-Y191 HydrophobicContact CD1-CG 3.99Å; R161-Y191 CarbonylContact O-C 3.47Å; R161-Y191 WeakPolarHBondContact O-CA 3.48Å; H162-Y191 HydrophobicContact CB-CD1 4.1Å; H162-Y191 HydrophobicContact CB-CE1 3.85Å; H162-Y191 AromaticContact CD2-CD2 3.85Å; H162-Y191 AromaticContact CD2-CE1 3.68Å; H162-Y191 AromaticContact CD2-CE2 3.44Å; H162-Y191 VanDerWaalsContact CD2-CE2 3.44Å; H162-Y191 WeakPolarHBondContact CD2-CE2 3.37Å; H162-Y191 AromaticContact CD2-CZ 3.36Å; H162-Y191 AromaticContact CG-CE1 3.95Å; H162-Y191 AromaticContact CG-CZ 3.96Å; H162-Y191 AromaticContact NE2-CE2 3.79Å; H162-Y191 AromaticContact NE2-CZ 3.82Å; V172-Y191 HydrophobicContact CG2-CE1 4.39Å; L178-Y191 HydrophobicContact CD2-CD1 3.44Å; L178-Y191 VanDerWaalsContact CD2-CD1 3.44Å; L178-Y191 HydrophobicContact CD2-CE1 3.75Å; L178-Y191 HydrophobicContact CD2-CG 4.4Å; L180-Y191 HydrophobicContact CD1-CE1 3.9Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 WeakPolarHBondContact CD1-OH 3.31Å; L180-Y191 HydrophobicContact CD2-CE1 4.02Å; Q187-Y191 WeakPolarHBondContact O-CE2 3.25Å; Q187-Y191 PolarHBondContact O-OH 2.98Å; Y191-R206 CarbonylContact O-C 3.54Å; Y191-R206 VanDerWaalsContact O-CA 3.31Å; Y191-R206 WeakPolarHBondContact O-CA 3.04Å; Y191-V207 PolarHBondContact N-O 3.39Å; Y191-V207 PolarHBondContact O-N 3.3Å; Y191-V209 HydrophobicContact CD2-CB 3.92Å; Y191-V209 HydrophobicContact CD2-CG2 3.46Å; Y191-V209 VanDerWaalsContact CD2-CG2 3.46Å; Y191-V209 HydrophobicContact CE2-CB 3.78Å; Y191-V209 HydrophobicContact CE2-CG1 4.45Å; Y191-V209 HydrophobicContact CE2-CG2 3.68Å; Y191-V209 HydrophobicContact CG-CG2 4.41Å
192E96.9Very high94.9Very high9 Ų940.5 Ų40.54%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-106.8123-179.3-47-175.3119.600108.6W160 R161 H169 I204 R205 R206W160-E192 WeakPolarHBondContact CA-O 3.4Å; R161-E192 HydrophobicContact CB-CB 4.36Å; R161-E192 IonicContact CZ-OE2 3.04Å; R161-E192 PolarHBondContact N-O 2.78Å; R161-E192 IonicContact NE-OE2 2.63Å; R161-E192 PolarHBondContact NE-OE2 2.68Å; R161-E192 IonicContact NH2-OE1 3.97Å; R161-E192 IonicContact NH2-OE2 3.37Å; R161-E192 PolarHBondContact NH2-OE2 2.76Å; R161-E192 PolarHBondContact O-N 2.87Å; H169-E192 IonicContact CE1-OE2 2.63Å; H169-E192 PolarHBondContact CE1-OE2 3.16Å; H169-E192 IonicContact ND1-OE2 3.79Å; H169-E192 PolarHBondContact ND1-OE2 3.38Å; H169-E192 VanDerWaalsContact ND1-OE2 3.16Å; E192-I204 HydrophobicContact CB-CG2 4.22Å; E192-R205 CarbonylContact C-O 3.52Å; E192-R205 WeakPolarHBondContact CA-O 3.39Å; E192-R206 HydrophobicContact CB-CG 4.42Å; E192-R206 HydrophobicContact CG-CG 3.97Å
193C98.1Very high95Very high0 Ų039.2 Ų39.20%022%0.224CC..EExtended strand (participates in β ladder)trans-89.8127.9164.4173.50000108.5I129 I132 C148 I158 W160 I204 R205I129-C193 HydrophobicContact CD1-CB 4.3Å; I129-C193 WeakPolarHBondContact CD1-O 3.47Å; I132-C193 HydrophobicContact CD1-CB 3.85Å; C148-C193 HydrophobicContact CB-CB 3.62Å; C148-C193 WeakPolarHBondContact CB-SG 3.18Å; C148-C193 WeakPolarHBondContact SG-CB 3.48Å; C148-C193 CovalentContact SG-SG 2.01Å; C148-C193 PolarHBondContact SG-SG 3.41Å; I158-C193 VanDerWaalsContact CG2-SG 3.57Å; W160-C193 HydrophobicContact CD2-CB 4.39Å; W160-C193 HydrophobicContact CE3-CB 4.06Å; W160-C193 HydrophobicContact CH2-CB 3.95Å; W160-C193 HydrophobicContact CZ2-CB 4.27Å; W160-C193 HydrophobicContact CZ3-CB 3.83Å; C193-I204 WeakPolarHBondContact O-CA 3.38Å; C193-R205 PolarHBondContact N-O 3.2Å; C193-R205 PolarHBondContact O-N 2.95Å
194I97.9Very high95.1Very high24 Ų2442.9 Ų42.912%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-119.3117.6-178.1-55.4171.4000107.2I158 T159 R161 I204I158-I194 WeakPolarHBondContact CA-O 3.38Å; T159-I194 PolarHBondContact N-O 3.25Å; T159-I194 PolarHBondContact O-N 2.8Å; R161-I194 HydrophobicContact CB-CD1 4.13Å; I194-I204 HydrophobicContact CG1-CG1 4.21Å; I194-I204 HydrophobicContact CG1-CG2 4.33Å; I194-I204 HydrophobicContact CG2-CG1 4.26Å
195A98.3Very high95.2Very high0 Ų045.6 Ų45.60%025%0.247CC..EExtended strand (participates in β ladder)trans-105.7126175.200000110.5A127 I129 A150 S157 S202 D203A127-A195 HydrophobicContact CB-CB 4.26Å; I129-A195 HydrophobicContact CD1-CB 4.14Å; I129-A195 HydrophobicContact CG1-CB 3.58Å; A150-A195 HydrophobicContact CB-CB 3.46Å; A150-A195 VanDerWaalsContact CB-CB 3.46Å; S157-A195 WeakPolarHBondContact O-CA 3.34Å; A195-S202 CarbonylContact O-C 3.58Å; A195-S202 WeakPolarHBondContact O-CA 3.35Å; A195-S202 VanDerWaalsContact O-CB 3.29Å; A195-S202 WeakPolarHBondContact O-CB 3.29Å; A195-D203 PolarHBondContact N-O 2.89Å; A195-D203 PolarHBondContact O-N 3.45Å
196S97.3Very high95.5Very high22 Ų2249.9 Ų49.915%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-135.9150.4-180-164.20000111.7A156 S157 D198 S202A156-S196 CarbonylContact C-O 3.54Å; A156-S196 WeakPolarHBondContact CA-O 3.45Å; S157-S196 PolarHBondContact N-O 2.81Å; S157-S196 PolarHBondContact O-N 3.48Å; S157-S196 PolarHBondContact OG-O 2.82Å; S196-D198 PolarHBondContact OG-N 3.42Å; S196-S202 PolarHBondContact OG-OG 3.44Å
197N96.3Very high95.8Very high13 Ų1345.6 Ų45.67%0.0724%0.241CC..  trans-143.523.1165.866-11.4000111.7V125 A127 R153 P154 I199V125-N197 PolarHBondContact O-ND2 2.87Å; A127-N197 HydrophobicContact CB-CB 4.28Å; A127-N197 PolarHBondContact N-OD1 2.98Å; A127-N197 VanDerWaalsContact N-OD1 3.08Å; R153-N197 PolarHBondContact N-ND2 3.17Å; P154-N197 VanDerWaalsContact O-CB 3.3Å; P154-N197 WeakPolarHBondContact O-CB 3.32Å; P154-N197 PolarHBondContact O-ND2 2.84Å; N197-I199 WeakPolarHBondContact O-CD1 3.46Å; N197-I199 WeakPolarHBondContact O-CG1 3.46Å; N197-I199 PolarHBondContact O-N 2.96Å; N197-I199 WeakPolarHBondContact OD1-CB 3.4Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.4Å
198D93.9Very high96Very high150 Ų15045.7 Ų45.780%0.80224%0.242SC*.SBendtrans58.510.5178.6-52.6-35000115.5S196S196-D198 PolarHBondContact OG-N 3.42Å
199I92.1Very high96.1Very high18 Ų1844.5 Ų44.59%0.09223%0.234CC..SBendtrans-84.8-36.7177.9-55.5-41.4000111.1R38 Q124 P126 N197R38-I199 HydrophobicContact CG-CG2 3.98Å; R38-I199 VanDerWaalsContact CZ-O 3.3Å; R38-I199 PolarHBondContact NE-O 3.13Å; R38-I199 PolarHBondContact NH2-O 3.08Å; Q124-I199 HydrophobicContact CB-CD1 4.24Å; Q124-I199 HydrophobicContact CB-CG1 4.16Å; Q124-I199 HydrophobicContact CB-CG2 4.06Å; Q124-I199 HydrophobicContact CG-CD1 4.01Å; Q124-I199 HydrophobicContact CG-CG1 4.43Å; P126-I199 HydrophobicContact CG-CG2 4.32Å; N197-I199 WeakPolarHBondContact O-CD1 3.46Å; N197-I199 WeakPolarHBondContact O-CG1 3.46Å; N197-I199 PolarHBondContact O-N 2.96Å; N197-I199 WeakPolarHBondContact OD1-CB 3.4Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.4Å
200S91.9Very high96.2Very high43 Ų4346.1 Ų46.130%0.30124%0.242SC..SBendtrans-143.9-176.7179.866.90000110.7P126 S202P126-S200 WeakPolarHBondContact CB-OG 3.41Å; S200-S202 PolarHBondContact O-N 2.98Å
201S94Very high96.2Very high106 Ų10644.6 Ų44.674%0.74123%0.233SC*.SBendtrans-52.2139.4163.454.80000110.2
202S96.6Very high96.3Very high47 Ų4745.5 Ų45.533%0.32924%0.238SC..PPolyproline II helixtrans-60.4142.6176.9-46.70000111.3A195 S196 S200A195-S202 CarbonylContact O-C 3.58Å; A195-S202 WeakPolarHBondContact O-CA 3.35Å; A195-S202 VanDerWaalsContact O-CB 3.29Å; A195-S202 WeakPolarHBondContact O-CB 3.29Å; S196-S202 PolarHBondContact OG-OG 3.44Å; S200-S202 PolarHBondContact O-N 2.98Å
203D98.1Very high96.3Very high46 Ų4646.2 Ų46.225%0.24624%0.24CC..EExtended strand (participates in β ladder)trans-82132.7169.2-170.814.9000108.7I129 A195I129-D203 HydrophobicContact CD1-CB 4.47Å; I129-D203 WeakPolarHBondContact CD1-O 3.47Å; I129-D203 HydrophobicContact CG1-CB 4.32Å; I129-D203 PolarHBondContact N-OD2 3.42Å; A195-D203 PolarHBondContact N-O 2.89Å; A195-D203 PolarHBondContact O-N 3.45Å
204I97.6Very high96.3Very high77 Ų7749.1 Ų49.140%0.39526%0.259SS..EExtended strand (participates in β ladder)trans-127.2124-173.8-55.1178.7000109E192 C193 I194E192-I204 HydrophobicContact CB-CG2 4.22Å; C193-I204 WeakPolarHBondContact O-CA 3.38Å; I194-I204 HydrophobicContact CG1-CG1 4.21Å; I194-I204 HydrophobicContact CG1-CG2 4.33Å; I194-I204 HydrophobicContact CG2-CG1 4.26Å
205R97.8Very high96.3Very high109 Ų10948.4 Ų48.441%0.41126%0.256SS..EExtended strand (participates in β ladder)trans-124.7156.5170.8-66.9-160.9-172-152.98.4111.1I129 I132 E192 C193I129-R205 HydrophobicContact CB-CG 4.16Å; I129-R205 HydrophobicContact CD1-CB 3.95Å; I129-R205 HydrophobicContact CD1-CG 3.9Å; I129-R205 HydrophobicContact CG2-CB 4.42Å; I129-R205 HydrophobicContact CG2-CG 4.1Å; I129-R205 PolarHBondContact O-NH2 3.1Å; I129-R205 VanDerWaalsContact O-NH2 3.15Å; I132-R205 HydrophobicContact CD1-CB 3.68Å; I132-R205 HydrophobicContact CG2-CB 4.38Å; E192-R205 CarbonylContact C-O 3.52Å; E192-R205 WeakPolarHBondContact CA-O 3.39Å; C193-R205 PolarHBondContact N-O 3.2Å; C193-R205 PolarHBondContact O-N 2.95Å
206R96.6Very high96.1Very high166 Ų16654 Ų5463%0.62628%0.281SS*.EExtended strand (participates in β ladder)trans-126.6145.2-171.1-59.9-167.5-69.5-119.7-6.4110.9T190 Y191 E192T190-R206 HydrophobicContact CG2-CB 3.72Å; T190-R206 HydrophobicContact CG2-CG 4.1Å; Y191-R206 CarbonylContact O-C 3.54Å; Y191-R206 VanDerWaalsContact O-CA 3.31Å; Y191-R206 WeakPolarHBondContact O-CA 3.04Å; E192-R206 HydrophobicContact CB-CG 4.42Å; E192-R206 HydrophobicContact CG-CG 3.97Å
207V97.1Very high96.1Very high1 Ų154 Ų541%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-132.5132.4173.261.60000109.2S133 K134 L146 W160 Y191S133-V207 WeakPolarHBondContact O-CG2 3.33Å; K134-V207 VanDerWaalsContact C-CG2 3.47Å; K134-V207 VanDerWaalsContact O-CG2 3.23Å; K134-V207 WeakPolarHBondContact O-CG2 3.48Å; L146-V207 HydrophobicContact CD1-CG1 3.81Å; L146-V207 HydrophobicContact CD2-CG1 4.26Å; L146-V207 HydrophobicContact CD2-CG2 4.27Å; W160-V207 HydrophobicContact CH2-CG1 4.4Å; W160-V207 HydrophobicContact CZ3-CG1 3.96Å; Y191-V207 PolarHBondContact N-O 3.39Å; Y191-V207 PolarHBondContact O-N 3.3Å
208Q96.1Very high96.1Very high63 Ų6356.4 Ų56.429%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-88.2126.1177.6-177.662.746.700110.1D135 V136 G189 T190D135-Q208 WeakPolarHBondContact CA-O 3.15Å; D135-Q208 HydrophobicContact CB-CB 4.12Å; D135-Q208 PolarHBondContact OD1-N 2.83Å; V136-Q208 PolarHBondContact N-O 2.85Å; G189-Q208 PolarHBondContact O-NE2 3.04Å; T190-Q208 PolarHBondContact OG1-OE1 2.63Å
209V96.2Very high96.1Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-109.3113.1170.2-178.40000108.8V136 L146 I183 S188 G189 Y191 V211V136-V209 HydrophobicContact CG1-CB 4.35Å; V136-V209 HydrophobicContact CG1-CG1 4.18Å; V136-V209 HydrophobicContact CG1-CG2 3.94Å; L146-V209 HydrophobicContact CD1-CG2 3.87Å; L146-V209 HydrophobicContact CD2-CG2 4.31Å; I183-V209 HydrophobicContact CD1-CG1 3.64Å; S188-V209 WeakPolarHBondContact CA-O 3.45Å; S188-V209 PolarHBondContact OG-O 2.63Å; G189-V209 PolarHBondContact N-O 2.94Å; G189-V209 PolarHBondContact O-N 2.9Å; Y191-V209 HydrophobicContact CD2-CB 3.92Å; Y191-V209 HydrophobicContact CD2-CG2 3.46Å; Y191-V209 VanDerWaalsContact CD2-CG2 3.46Å; Y191-V209 HydrophobicContact CE2-CB 3.78Å; Y191-V209 HydrophobicContact CE2-CG1 4.45Å; Y191-V209 HydrophobicContact CE2-CG2 3.68Å; Y191-V209 HydrophobicContact CG-CG2 4.41Å; V209-V211 HydrophobicContact CG1-CG2 4.44Å
210T95.8Very high96.3Very high40 Ų4053.1 Ų53.125%0.24528%0.282CS..EExtended strand (participates in β ladder)trans-102.2123.5177-57.60000109.2V136 T137 V138 V240V136-T210 PolarHBondContact O-N 3.21Å; T137-T210 CarbonylContact C-O 3.54Å; T137-T210 VanDerWaalsContact CA-O 3.26Å; T137-T210 WeakPolarHBondContact CA-O 3.26Å; T137-T210 HydrophobicContact CG2-CG2 4.08Å; V138-T210 PolarHBondContact N-O 2.82Å; T210-V240 HydrophobicContact CG2-CG1 3.76Å
211V96.4Very high96.3Very high0 Ų057.5 Ų57.50%029%0.292CS..EExtended strand (participates in β ladder)trans-104.7121.4177.3-176.20000109.1V138 E140 I183 S188 V209 Y213 V240V138-V211 CarbonylContact O-C 3.25Å; V138-V211 VanDerWaalsContact O-CA 3.32Å; V138-V211 WeakPolarHBondContact O-CA 3.46Å; E140-V211 HydrophobicContact CB-CG1 3.9Å; I183-V211 HydrophobicContact CD1-CG2 3.69Å; I183-V211 HydrophobicContact CG1-CG2 3.93Å; I183-V211 HydrophobicContact CG2-CG1 4.33Å; I183-V211 HydrophobicContact CG2-CG2 4.09Å; S188-V211 PolarHBondContact OG-N 2.82Å; V209-V211 HydrophobicContact CG1-CG2 4.44Å; V211-Y213 VanDerWaalsContact O-CD1 3.31Å; V211-Y213 WeakPolarHBondContact O-CD1 3.37Å; V211-V240 WeakPolarHBondContact O-CB 3.29Å; V211-V240 WeakPolarHBondContact O-CG1 3.22Å
212N97.6Very high96.2Very high22 Ų2254.7 Ų54.712%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-79.5132.5172.3-61.5-34.8000110T137 V138 N139 E140 V240 M293T137-N212 WeakPolarHBondContact CG2-OD1 3.48Å; V138-N212 PolarHBondContact O-N 3.36Å; N139-N212 WeakPolarHBondContact OD1-CB 3.32Å; N139-N212 PolarHBondContact OD1-ND2 3.29Å; E140-N212 PolarHBondContact N-O 2.86Å; N212-V240 CarbonylContact C-O 3.55Å; N212-V240 WeakPolarHBondContact CA-O 3.44Å; N212-V240 WeakPolarHBondContact CB-O 3.34Å; N212-M293 HydrophobicContact CB-CE 4.18Å; N212-M293 HydrophobicContact CB-CG 3.94Å; N212-M293 HydrophobicContact CB-SD 3.88Å
213Y96.8Very high96Very high23 Ų2354.3 Ų54.39%0.0927%0.269CS..EExtended strand (participates in β ladder)trans-145.7150.5178.359.5-90.6000111K185 V211 S238 A239 V240 N291K185-Y213 HydrophobicContact CB-CD1 3.48Å; K185-Y213 VanDerWaalsContact CB-CD1 3.48Å; K185-Y213 HydrophobicContact CB-CE1 3.79Å; K185-Y213 HydrophobicContact CB-CG 3.93Å; K185-Y213 HydrophobicContact CD-CD1 4.39Å; K185-Y213 HydrophobicContact CD-CD2 4.02Å; K185-Y213 HydrophobicContact CD-CE2 4.2Å; K185-Y213 HydrophobicContact CD-CG 4.13Å; V211-Y213 VanDerWaalsContact O-CD1 3.31Å; V211-Y213 WeakPolarHBondContact O-CD1 3.37Å; Y213-S238 PolarHBondContact OH-OG 3.19Å; Y213-A239 VanDerWaalsContact CE2-CA 3.46Å; Y213-V240 HydrophobicContact CD1-CB 3.96Å; Y213-V240 HydrophobicContact CD1-CG2 4.19Å; Y213-V240 HydrophobicContact CE1-CB 3.68Å; Y213-V240 HydrophobicContact CE1-CG2 3.39Å; Y213-V240 PolarHBondContact N-O 3.31Å; Y213-V240 PolarHBondContact O-N 3.29Å; Y213-N291 PolarHBondContact O-ND2 2.92Å
214P97.7Very high95.8Very high62 Ų6253.8 Ų53.840%0.40327%0.274SS..EExtended strand (participates in β ladder)trans-64156.5178.827.6-35.5000112M293P214-M293 HydrophobicContact CB-CB 4.17Å
215P97.3Very high95.6Very high8 Ų850.5 Ų50.55%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-64.1140.7179.928.3-35.5000111.5S238 A239 A243 A289 N291 G294 T296P215-S238 WeakPolarHBondContact CA-O 3.34Å; P215-A239 HydrophobicContact CB-CB 3.84Å; P215-A243 HydrophobicContact CB-CB 4.04Å; P215-A289 HydrophobicContact CB-CB 4.06Å; P215-A289 VanDerWaalsContact CG-O 3.23Å; P215-A289 WeakPolarHBondContact CG-O 3.44Å; P215-N291 VanDerWaalsContact CD-OD1 3.28Å; P215-N291 WeakPolarHBondContact CD-OD1 3.42Å; P215-G294 VanDerWaalsContact CD-O 3.3Å; P215-G294 WeakPolarHBondContact CD-O 3.33Å; P215-G294 WeakPolarHBondContact CG-O 3.17Å; P215-T296 HydrophobicContact CB-CG2 3.79Å; P215-T296 HydrophobicContact CG-CG2 3.92Å; P215-T296 WeakPolarHBondContact O-CB 3.4Å; P215-T296 VanDerWaalsContact O-CG2 3.23Å; P215-T296 WeakPolarHBondContact O-CG2 3.21Å
216F95.9Very high95.4Very high118 Ų11847.4 Ų47.452%0.51825%0.251SS..EExtended strand (participates in β ladder)trans-128.5126169.3154.4-99.1000108.6S218 A237 S238F216-S218 PolarHBondContact O-N 2.95Å; F216-S218 VanDerWaalsContact O-N 3.12Å; F216-A237 CarbonylContact O-C 3.53Å; F216-A237 VanDerWaalsContact O-CA 3.26Å; F216-A237 WeakPolarHBondContact O-CA 3.44Å; F216-S238 PolarHBondContact N-O 2.76Å; F216-S238 PolarHBondContact O-N 2.9Å
217I96.8Very high95.3Very high22 Ų2243.2 Ų43.211%0.11324%0.244CC..EExtended strand (participates in β ladder)trans-72.7107.4177.6-71.6163.9000108.9K219 A220 E236 A237 T296 A298I217-K219 VanDerWaalsContact C-N 3.34Å; I217-A220 HydrophobicContact CG2-CB 4.08Å; I217-E236 CarbonylContact C-O 3.53Å; I217-E236 VanDerWaalsContact CA-O 3.32Å; I217-E236 WeakPolarHBondContact CA-O 3.3Å; I217-A237 HydrophobicContact CG1-CB 4.28Å; I217-T296 HydrophobicContact CD1-CG2 3.99Å; I217-T296 HydrophobicContact CG1-CG2 3.8Å; I217-A298 HydrophobicContact CB-CB 4.41Å; I217-A298 HydrophobicContact CD1-CB 3.51Å; I217-A298 VanDerWaalsContact CD1-N 3.29Å; I217-A298 HydrophobicContact CG2-CB 3.94Å
218S95.3Very high95.2Very high64 Ų6445.5 Ų45.545%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-80.1-20178.552.10000112.6F216 E236F216-S218 PolarHBondContact O-N 2.95Å; F216-S218 VanDerWaalsContact O-N 3.12Å; S218-E236 PolarHBondContact N-O 3.16Å; S218-E236 PolarHBondContact OG-O 3.12Å
219K95.5Very high95.2Very high55 Ų5547.9 Ų47.924%0.23928%0.279CS..EExtended strand (participates in β ladder)trans-159.6132.6-178-168.2-179.6172.2-167.70111.5I217 R221 C235 E236I217-K219 VanDerWaalsContact C-N 3.34Å; K219-R221 VanDerWaalsContact CE-NH2 3.33Å; K219-R221 HydrophobicContact CG-CG 4.25Å; K219-C235 CarbonylContact O-C 3.59Å; K219-C235 WeakPolarHBondContact O-CA 3.34Å; K219-E236 HydrophobicContact CB-CB 3.96Å; K219-E236 HydrophobicContact CB-CG 4.24Å; K219-E236 HydrophobicContact CD-CG 4.32Å; K219-E236 WeakPolarHBondContact CD-OE2 3.36Å; K219-E236 PolarHBondContact N-O 2.73Å; K219-E236 IonicContact NZ-OE1 2.98Å; K219-E236 PolarHBondContact NZ-OE1 3.1Å; K219-E236 VanDerWaalsContact NZ-OE1 3.15Å; K219-E236 PolarHBondContact O-N 3.47Å
220A95.4Very high95.1Very high43 Ų4355.1 Ų55.136%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-137.7117.6174.300000107.3I217 A298 I300I217-A220 HydrophobicContact CG2-CB 4.08Å; A220-A298 HydrophobicContact CB-CB 3.9Å; A220-I300 HydrophobicContact CB-CD1 3.95Å; A220-I300 HydrophobicContact CB-CG1 3.8Å
221R92.4Very high95.1Very high136 Ų13653.2 Ų53.251%0.51329%0.294SS..EExtended strand (participates in β ladder)trans-116.2115-174.3-75.1-172.7171.5170.8-1.4111.6K219 Q234 I300K219-R221 VanDerWaalsContact CE-NH2 3.33Å; K219-R221 HydrophobicContact CG-CG 4.25Å; R221-Q234 HydrophobicContact CB-CB 4.33Å; R221-Q234 PolarHBondContact N-O 2.88Å; R221-I300 VanDerWaalsContact C-CG2 3.5Å; R221-I300 WeakPolarHBondContact O-CG2 3.4Å
222S90.9Very high95.1Very high47 Ų4755.1 Ų55.133%0.32931%0.306SS..  trans-71.5148.4165.7-58.80000110.2I301S222-I301 CarbonylContact C-O 3.5Å; S222-I301 VanDerWaalsContact CA-O 3.22Å; S222-I301 WeakPolarHBondContact CA-O 3.49Å; S222-I301 VanDerWaalsContact CB-O 3.22Å; S222-I301 WeakPolarHBondContact CB-O 3.24Å; S222-I301 PolarHBondContact OG-N 2.77Å
223T92.8Very high95Very high39 Ų3954 Ų5424%0.23930%0.3CS..EExtended strand (participates in β ladder)trans-135.7131.6-174.2-56.90000110.5T225 V232 I301 L302 Y303T223-T225 WeakPolarHBondContact CG2-OG1 3.5Å; T223-V232 WeakPolarHBondContact CB-O 3.41Å; T223-V232 PolarHBondContact OG1-O 2.79Å; T223-I301 PolarHBondContact N-O 2.88Å; T223-L302 WeakPolarHBondContact O-CA 2.94Å; T223-Y303 VanDerWaalsContact C-CE1 3.5Å; T223-Y303 WeakPolarHBondContact O-CD1 3.4Å; T223-Y303 PolarHBondContact O-N 2.01Å; T223-Y303 VanDerWaalsContact O-N 3.13Å
224G92.9Very high95Very high35 Ų3554.3 Ų54.336%0.36130%0.302SS..EExtended strand (participates in β ladder)trans-87.1125.1167.500000110.1Y303G224-Y303 CarbonylContact C-O 3.54Å; G224-Y303 WeakPolarHBondContact CA-O 3.35Å
225T94.3Very high95Very high7 Ų751.4 Ų51.44%0.04328%0.283CS..  trans-142.6127.7179.9-57.70000110.3T223 Q229 V277 Y282 Y303T223-T225 WeakPolarHBondContact CG2-OG1 3.5Å; T225-Q229 HydrophobicContact CG2-CB 3.91Å; T225-V277 HydrophobicContact CG2-CB 4.37Å; T225-V277 HydrophobicContact CG2-CG2 3.81Å; T225-Y282 WeakPolarHBondContact O-CE1 3.29Å; T225-Y282 PolarHBondContact O-OH 2.67Å; T225-Y303 PolarHBondContact N-O 2.83Å
226P94.3Very high95Very high44 Ų4452.9 Ų52.929%0.28629%0.289SS..  trans-62.1151173.4-13.623.9000112.8Q229 P305P226-Q229 HydrophobicContact CB-CG 4.2Å; P226-Q229 HydrophobicContact CG-CG 4.3Å; P226-Q229 WeakPolarHBondContact O-CB 3.23Å; P226-Q229 PolarHBondContact O-N 3.27Å; P226-P305 HydrophobicContact CB-CG 3.71Å; P226-P305 HydrophobicContact CG-CG 3.52Å
227V94.8Very high95.1Very high79 Ų7947.4 Ų47.448%0.47927%0.266SS..THydrogen-bonded Turntrans-55.1141.9167.5178.40000109.2Q229 V277 E279 Y282V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-V277 CarbonylContact C-O 3.55Å; V227-V277 VanDerWaalsContact CA-O 3.27Å; V227-V277 WeakPolarHBondContact CA-O 3.47Å; V227-V277 WeakPolarHBondContact CG1-O 3.34Å; V227-E279 HydrophobicContact CG2-CG 3.95Å; V227-Y282 HydrophobicContact CG2-CE2 4.06Å; V227-Y282 WeakPolarHBondContact CG2-OH 3.14Å; V227-Y282 PolarHBondContact N-OH 3.49Å
228G94.1Very high95Very high48 Ų4847.8 Ų47.850%0.49527%0.271SS..THydrogen-bonded Turntrans91.4-15.9-177.400000114.2N276 V277G228-N276 WeakPolarHBondContact CA-OD1 3.47Å; G228-N276 PolarHBondContact N-OD1 2.81Å; G228-N276 PolarHBondContact O-OD1 3.35Å; G228-V277 PolarHBondContact N-O 2.87Å
229Q95.7Very high95.1Very high114 Ų11445.1 Ų45.153%0.53325%0.253SS..SBendtrans-106.7165.9-171.7-62.5-159-2.700113.6T225 P226 V227 G231 V277T225-Q229 HydrophobicContact CG2-CB 3.91Å; P226-Q229 HydrophobicContact CB-CG 4.2Å; P226-Q229 HydrophobicContact CG-CG 4.3Å; P226-Q229 WeakPolarHBondContact O-CB 3.23Å; P226-Q229 PolarHBondContact O-N 3.27Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; Q229-G231 PolarHBondContact O-N 2.73Å; Q229-V277 WeakPolarHBondContact O-CG2 3.45Å; Q229-V277 PolarHBondContact O-N 2.76Å
230R95.6Very high95.1Very high151 Ų15144.3 Ų44.357%0.5725%0.252SS*.  trans-77.5117.9175.9-175.7179-178.6-107.30.8110.5I273 F274R230-I273 HydrophobicContact CG-CG2 4.46Å; R230-F274 VanDerWaalsContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CG-O 3.41Å
231G94.6Very high95.2Very high0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-103.2148.217700000112.2Q229 F274Q229-G231 PolarHBondContact O-N 2.73Å; G231-F274 PolarHBondContact N-O 2.87Å; G231-F274 PolarHBondContact O-N 2.88Å
232V96.1Very high95.3Very high40 Ų4045 Ų4524%0.24225%0.253CS..EExtended strand (participates in β ladder)trans-140.1121.9176.6-174.40000110.1T223 L271 L272 I273T223-V232 WeakPolarHBondContact CB-O 3.41Å; T223-V232 PolarHBondContact OG1-O 2.79Å; V232-L271 HydrophobicContact CG1-CB 4.32Å; V232-L271 HydrophobicContact CG1-CD2 4.22Å; V232-L272 WeakPolarHBondContact CA-O 3.4Å; V232-I273 HydrophobicContact CG1-CG1 4.28Å; V232-I273 HydrophobicContact CG2-CG1 4.32Å; V232-I273 HydrophobicContact CG2-CG2 4.47Å
233L96.5Very high95.6Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-98.8143.9165.5-59-175.6000109.5W247 L271 L272 F274 Y285 I300 L302L233-W247 HydrophobicContact CB-CH2 3.88Å; L233-W247 HydrophobicContact CB-CZ3 3.97Å; L233-W247 HydrophobicContact CD1-CZ3 4.36Å; L233-L271 WeakPolarHBondContact O-CA 3.45Å; L233-L272 HydrophobicContact CB-CB 4.32Å; L233-L272 HydrophobicContact CD1-CD2 4.36Å; L233-L272 PolarHBondContact N-O 2.79Å; L233-L272 PolarHBondContact O-N 3.48Å; L233-F274 HydrophobicContact CD1-CE2 4.26Å; L233-F274 HydrophobicContact CG-CE2 4.13Å; L233-Y285 HydrophobicContact CD1-CD1 4.36Å; L233-Y285 HydrophobicContact CD1-CD2 3.51Å; L233-Y285 HydrophobicContact CD1-CE2 4.25Å; L233-Y285 HydrophobicContact CD1-CG 3.59Å; L233-I300 HydrophobicContact CB-CG2 4.13Å; L233-I300 HydrophobicContact CD1-CG2 3.97Å; L233-I300 HydrophobicContact CD2-CG2 3.73Å; L233-I300 HydrophobicContact CG-CG2 4.15Å; L233-L302 HydrophobicContact CD1-CB 4.38Å; L233-L302 HydrophobicContact CD2-CB 4.27Å; L233-L302 HydrophobicContact CD2-CD1 4.1Å
234Q96.6Very high95.8Very high29 Ų2946.6 Ų46.614%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-129.9130.8-173.8173.5-178.5700110.8R221 E236 Q269 L271R221-Q234 HydrophobicContact CB-CB 4.33Å; R221-Q234 PolarHBondContact N-O 2.88Å; Q234-E236 PolarHBondContact NE2-OE1 3.47Å; Q234-Q269 HydrophobicContact CG-CG 4.23Å; Q234-L271 HydrophobicContact CB-CD2 3.72Å; Q234-L271 HydrophobicContact CG-CD2 3.74Å
235C97.1Very high96Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-131.1132.8174.8-1710000110.1K219 F245 W247 Q269 S270 C287 I300K219-C235 CarbonylContact O-C 3.59Å; K219-C235 WeakPolarHBondContact O-CA 3.34Å; C235-F245 HydrophobicContact CB-CE1 4.44Å; C235-W247 HydrophobicContact CB-CH2 3.77Å; C235-W247 HydrophobicContact CB-CZ2 3.69Å; C235-Q269 CarbonylContact O-C 3.4Å; C235-Q269 WeakPolarHBondContact O-CA 3.29Å; C235-S270 PolarHBondContact N-O 2.83Å; C235-S270 PolarHBondContact O-N 2.88Å; C235-C287 HydrophobicContact CB-CB 3.43Å; C235-C287 VanDerWaalsContact CB-CB 3.43Å; C235-C287 WeakPolarHBondContact CB-SG 3.44Å; C235-C287 WeakPolarHBondContact SG-CB 3.44Å; C235-C287 CovalentContact SG-SG 2.05Å; C235-C287 PolarHBondContact SG-SG 3.29Å; C235-I300 HydrophobicContact CB-CD1 4Å
236E97.8Very high96.2Very high39 Ų3947.3 Ų47.318%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-126.8135.8175.9-58.7174-168.900110.4I217 S218 K219 Q234 K268 Q269I217-E236 CarbonylContact C-O 3.53Å; I217-E236 VanDerWaalsContact CA-O 3.32Å; I217-E236 WeakPolarHBondContact CA-O 3.3Å; S218-E236 PolarHBondContact N-O 3.16Å; S218-E236 PolarHBondContact OG-O 3.12Å; K219-E236 HydrophobicContact CB-CB 3.96Å; K219-E236 HydrophobicContact CB-CG 4.24Å; K219-E236 HydrophobicContact CD-CG 4.32Å; K219-E236 WeakPolarHBondContact CD-OE2 3.36Å; K219-E236 PolarHBondContact N-O 2.73Å; K219-E236 IonicContact NZ-OE1 2.98Å; K219-E236 PolarHBondContact NZ-OE1 3.1Å; K219-E236 VanDerWaalsContact NZ-OE1 3.15Å; K219-E236 PolarHBondContact O-N 3.47Å; Q234-E236 PolarHBondContact NE2-OE1 3.47Å; E236-K268 CarbonylContact C-O 3.48Å; E236-K268 WeakPolarHBondContact CA-O 3.39Å; E236-Q269 HydrophobicContact CG-CB 3.85Å; E236-Q269 HydrophobicContact CG-CG 3.77Å; E236-Q269 PolarHBondContact OE1-NE2 3.47Å
237A97.3Very high96.4Very high3 Ų345.3 Ų45.33%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-130.2136.4178.100000111.6F216 I217 F245 K268 A289F216-A237 CarbonylContact O-C 3.53Å; F216-A237 VanDerWaalsContact O-CA 3.26Å; F216-A237 WeakPolarHBondContact O-CA 3.44Å; I217-A237 HydrophobicContact CG1-CB 4.28Å; A237-F245 HydrophobicContact CB-CE1 3.94Å; A237-F245 HydrophobicContact CB-CZ 3.57Å; A237-K268 PolarHBondContact N-O 2.99Å; A237-K268 WeakPolarHBondContact O-CB 3.22Å; A237-A289 HydrophobicContact CB-CB 3.65Å
238S95.8Very high96.5Very high30 Ų3044.2 Ų44.221%0.2122%0.224CC..EExtended strand (participates in β ladder)trans-93.6124.5168.9-172.20000108.8Y213 P215 F216Y213-S238 PolarHBondContact OH-OG 3.19Å; P215-S238 WeakPolarHBondContact CA-O 3.34Å; F216-S238 PolarHBondContact N-O 2.76Å; F216-S238 PolarHBondContact O-N 2.9Å
239A96.3Very high96.6Very high9 Ų944.1 Ų44.17%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-157.9149-178.800000110.5Y213 P215 P241 A243Y213-A239 VanDerWaalsContact CE2-CA 3.46Å; P215-A239 HydrophobicContact CB-CB 3.84Å; A239-P241 CarbonylContact C-O 3.55Å; A239-P241 VanDerWaalsContact C-O 3.25Å; A239-P241 WeakPolarHBondContact CB-O 3.27Å; A239-A243 HydrophobicContact CB-CB 3.81Å
240V96.3Very high96.1Very high38 Ų3845.8 Ų45.823%0.2322%0.218CC..EExtended strand (participates in β ladder)trans-135.6121.1166.7178.20000108.4T210 V211 N212 Y213 N291T210-V240 HydrophobicContact CG2-CG1 3.76Å; V211-V240 WeakPolarHBondContact O-CB 3.29Å; V211-V240 WeakPolarHBondContact O-CG1 3.22Å; N212-V240 CarbonylContact C-O 3.55Å; N212-V240 WeakPolarHBondContact CA-O 3.44Å; N212-V240 WeakPolarHBondContact CB-O 3.34Å; Y213-V240 HydrophobicContact CD1-CB 3.96Å; Y213-V240 HydrophobicContact CD1-CG2 4.19Å; Y213-V240 HydrophobicContact CE1-CB 3.68Å; Y213-V240 HydrophobicContact CE1-CG2 3.39Å; Y213-V240 PolarHBondContact N-O 3.31Å; Y213-V240 PolarHBondContact O-N 3.29Å; V240-N291 PolarHBondContact O-ND2 2.82Å
241P96.8Very high95.9Very high53 Ų5346.2 Ų46.234%0.34423%0.232SC..SBendcis-56.7163.1-8.3-2335.1000112.6A239 A243 N291A239-P241 CarbonylContact C-O 3.55Å; A239-P241 VanDerWaalsContact C-O 3.25Å; A239-P241 WeakPolarHBondContact CB-O 3.27Å; P241-A243 PolarHBondContact O-N 2.83Å; P241-N291 WeakPolarHBondContact O-CB 2.96Å; P241-N291 PolarHBondContact O-ND2 3.34Å
242R95.3Very high95.8Very high140 Ų14055.5 Ų55.553%0.52827%0.267SS..PPolyproline II helixtrans-55.9139.2-178.6-177.5172.4171.4-152.1-21.5110.5G267R242-G267 VanDerWaalsContact CZ-C 3.43Å; R242-G267 VanDerWaalsContact CZ-N 3.34Å; R242-G267 PolarHBondContact NE-O 3.23Å; R242-G267 VanDerWaalsContact NH2-C 3.32Å; R242-G267 PolarHBondContact NH2-O 3.34Å
243A97.4Very high95.8Very high4 Ų460.1 Ų60.13%0.03328%0.28CS..PPolyproline II helixtrans-79.3142.4-178.300000112.3P215 A239 P241 A289 M290P215-A243 HydrophobicContact CB-CB 4.04Å; A239-A243 HydrophobicContact CB-CB 3.81Å; P241-A243 PolarHBondContact O-N 2.83Å; A243-A289 HydrophobicContact CB-CB 4.13Å; A243-M290 CarbonylContact C-O 3.49Å; A243-M290 WeakPolarHBondContact CA-O 3.31Å
244D97Very high95.8Very high116 Ų11661.5 Ų61.562%0.6229%0.287SS*.EExtended strand (participates in β ladder)trans-84.6151.9162.1-67.1-41000109.8A289 M290D244-A289 CarbonylContact O-C 3.49Å; D244-A289 WeakPolarHBondContact O-CA 3.42Å; D244-M290 HydrophobicContact CB-CG 4.22Å; D244-M290 PolarHBondContact N-O 2.83Å; D244-M290 PolarHBondContact O-N 2.63Å
245F97.6Very high95.7Very high23 Ų2364.5 Ų64.510%0.10130%0.303CS..EExtended strand (participates in β ladder)trans-120.9140-175.9-73.6-96.5000112C235 A237 T265 K268 S270 V288 A289C235-F245 HydrophobicContact CB-CE1 4.44Å; A237-F245 HydrophobicContact CB-CE1 3.94Å; A237-F245 HydrophobicContact CB-CZ 3.57Å; F245-T265 HydrophobicContact CD2-CG2 3.78Å; F245-T265 HydrophobicContact CE2-CG2 4.46Å; F245-K268 WeakPolarHBondContact CZ-O 3.19Å; F245-S270 VanDerWaalsContact CG-CB 3.43Å; F245-V288 CarbonylContact C-O 3.55Å; F245-V288 VanDerWaalsContact CA-O 3.31Å; F245-V288 WeakPolarHBondContact CA-O 3.45Å; F245-A289 HydrophobicContact CD1-CB 4.12Å; F245-A289 HydrophobicContact CE1-CB 3.88Å; F245-A289 HydrophobicContact CZ-CB 4.32Å
246E97.3Very high95.6Very high34 Ų3469.2 Ų69.216%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-128.7149.9168.8-61.5-172.3162.100109.9Y248 R253 C287 V288 M290E246-Y248 HydrophobicContact CB-CD2 4.4Å; E246-Y248 HydrophobicContact CB-CE2 3.66Å; E246-Y248 PolarHBondContact OE2-OH 3.05Å; E246-R253 VanDerWaalsContact CD-CZ 3.48Å; E246-R253 IonicContact OE1-CZ 2.99Å; E246-R253 IonicContact OE1-NE 3.91Å; E246-R253 IonicContact OE1-NH1 2.7Å; E246-R253 PolarHBondContact OE1-NH1 3.44Å; E246-R253 IonicContact OE1-NH2 3.16Å; E246-R253 PolarHBondContact OE1-NH2 3.38Å; E246-R253 IonicContact OE2-CZ 3.99Å; E246-R253 IonicContact OE2-NH1 3.78Å; E246-C287 WeakPolarHBondContact O-CA 3.3Å; E246-V288 HydrophobicContact CB-CB 4.38Å; E246-V288 PolarHBondContact N-O 2.84Å; E246-V288 PolarHBondContact O-N 2.9Å; E246-M290 HydrophobicContact CG-CE 4.06Å
247W97.9Very high95.2Very high1 Ų170.4 Ų70.40%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-119138.6177.4-73.289.2000109.7L233 C235 L254 I263 S270 L272 T286 C287 I300L233-W247 HydrophobicContact CB-CH2 3.88Å; L233-W247 HydrophobicContact CB-CZ3 3.97Å; L233-W247 HydrophobicContact CD1-CZ3 4.36Å; C235-W247 HydrophobicContact CB-CH2 3.77Å; C235-W247 HydrophobicContact CB-CZ2 3.69Å; W247-L254 HydrophobicContact CB-CB 4.27Å; W247-L254 HydrophobicContact CB-CD1 4.17Å; W247-L254 WeakPolarHBondContact O-CB 3.41Å; W247-L254 PolarHBondContact O-N 2.85Å; W247-I263 HydrophobicContact CB-CD1 4.31Å; W247-S270 PolarHBondContact NE1-OG 3.34Å; W247-L272 HydrophobicContact CB-CD2 4.43Å; W247-L272 HydrophobicContact CD2-CB 3.7Å; W247-L272 HydrophobicContact CD2-CD2 4.13Å; W247-L272 HydrophobicContact CD2-CG 4.45Å; W247-L272 HydrophobicContact CE3-CB 3.93Å; W247-L272 HydrophobicContact CE3-CD2 3.83Å; W247-L272 HydrophobicContact CG-CB 4.15Å; W247-L272 HydrophobicContact CG-CD2 4.4Å; W247-L272 HydrophobicContact CH2-CB 4.23Å; W247-L272 HydrophobicContact CZ2-CB 4.03Å; W247-L272 HydrophobicContact CZ3-CB 4.18Å; W247-L272 HydrophobicContact CZ3-CD2 4.41Å; W247-T286 WeakPolarHBondContact CA-O 3.43Å; W247-C287 HydrophobicContact CD2-CB 4.17Å; W247-C287 HydrophobicContact CE3-CB 3.99Å; W247-C287 HydrophobicContact CH2-CB 3.93Å; W247-C287 HydrophobicContact CZ2-CB 4.08Å; W247-C287 HydrophobicContact CZ3-CB 3.88Å; W247-I300 HydrophobicContact CH2-CD1 3.61Å; W247-I300 HydrophobicContact CZ3-CD1 3.74Å
248Y97.6Very high94.8Very high56 Ų5674.1 Ų74.122%0.2237%0.37CS..EExtended strand (participates in β ladder)trans-127.8148.3178.2-67.6-103.6000109.2E246 R252 R253 Y285 T286 V288E246-Y248 HydrophobicContact CB-CD2 4.4Å; E246-Y248 HydrophobicContact CB-CE2 3.66Å; E246-Y248 PolarHBondContact OE2-OH 3.05Å; Y248-R252 VanDerWaalsContact CA-O 3.29Å; Y248-R252 WeakPolarHBondContact CA-O 3.42Å; Y248-R253 HydrophobicContact CD1-CB 4.05Å; Y248-R253 HydrophobicContact CE1-CB 3.56Å; Y248-R253 HydrophobicContact CE1-CG 4.25Å; Y248-Y285 CarbonylContact O-C 3.5Å; Y248-Y285 VanDerWaalsContact O-CA 3.23Å; Y248-Y285 WeakPolarHBondContact O-CA 3.37Å; Y248-T286 PolarHBondContact N-O 3.3Å; Y248-T286 PolarHBondContact O-N 3.07Å; Y248-V288 HydrophobicContact CD2-CG2 3.72Å; Y248-V288 HydrophobicContact CE2-CB 4.34Å; Y248-V288 HydrophobicContact CE2-CG2 3.78Å
249K95.4Very high94.4Very high46 Ų4679.8 Ų79.820%0.240%0.398CS..EExtended strand (participates in β ladder)trans-119.3119.7162.1-171.9-176.1-174.5176.30106.1D251 R252 L254 E280 Y285K249-D251 PolarHBondContact O-N 3.34Å; K249-R252 PolarHBondContact N-O 2.99Å; K249-R252 PolarHBondContact O-N 3.18Å; K249-L254 HydrophobicContact CB-CD1 4.33Å; K249-L254 HydrophobicContact CB-CD2 4.07Å; K249-L254 HydrophobicContact CB-CG 4.45Å; K249-E280 PolarHBondContact NZ-O 3.41Å; K249-Y285 HydrophobicContact CB-CD1 3.92Å; K249-Y285 HydrophobicContact CB-CE1 3.75Å; K249-Y285 HydrophobicContact CD-CE1 3.76Å; K249-Y285 WeakPolarHBondContact CE-OH 3.36Å; K249-Y285 HydrophobicContact CG-CD1 4.16Å; K249-Y285 HydrophobicContact CG-CE1 3.77Å; K249-Y285 PolarHBondContact NZ-OH 2.67Å
250E87.1Confident94Very high149 Ų14981.4 Ų81.470%0.69642%0.416SS*.THydrogen-bonded Turntrans53.6-122.6-165-53.4168.5173.100109.4
251D89.3Confident93.9Very high161 Ų16180.2 Ų80.286%0.86141%0.408SS*.THydrogen-bonded Turntrans-99.56.1179.2-60.5-45.4000113.6K249K249-D251 PolarHBondContact O-N 3.34Å
252R94.3Very high93.9Very high194 Ų19481.5 Ų81.573%0.73241%0.408SS*.EExtended strand (participates in β ladder)trans-100.5122.5-176.7-64.2-174.5-174.4-172.83.4111.5Y248 K249 L254Y248-R252 VanDerWaalsContact CA-O 3.29Å; Y248-R252 WeakPolarHBondContact CA-O 3.42Å; K249-R252 PolarHBondContact N-O 2.99Å; K249-R252 PolarHBondContact O-N 3.18Å; R252-L254 PolarHBondContact O-N 3.14Å
253R96.2Very high94Very high138 Ų13876.2 Ų76.252%0.52139%0.39SS..EExtended strand (participates in β ladder)trans-64.3127.4172.2-176.8179171.7152.79.1110.4E246 Y248 L255E246-R253 VanDerWaalsContact CD-CZ 3.48Å; E246-R253 IonicContact OE1-CZ 2.99Å; E246-R253 IonicContact OE1-NE 3.91Å; E246-R253 IonicContact OE1-NH1 2.7Å; E246-R253 PolarHBondContact OE1-NH1 3.44Å; E246-R253 IonicContact OE1-NH2 3.16Å; E246-R253 PolarHBondContact OE1-NH2 3.38Å; E246-R253 IonicContact OE2-CZ 3.99Å; E246-R253 IonicContact OE2-NH1 3.78Å; Y248-R253 HydrophobicContact CD1-CB 4.05Å; Y248-R253 HydrophobicContact CE1-CB 3.56Å; Y248-R253 HydrophobicContact CE1-CG 4.25Å; R253-L255 HydrophobicContact CG-CD2 4.49Å
254L96.3Very high93.9Very high28 Ų2879.5 Ų79.515%0.14741%0.405CS..PPolyproline II helixtrans-84.5142.3173.3-56178.9000110.1W247 K249 R252 L261 I263 L272 Y285W247-L254 HydrophobicContact CB-CB 4.27Å; W247-L254 HydrophobicContact CB-CD1 4.17Å; W247-L254 WeakPolarHBondContact O-CB 3.41Å; W247-L254 PolarHBondContact O-N 2.85Å; K249-L254 HydrophobicContact CB-CD1 4.33Å; K249-L254 HydrophobicContact CB-CD2 4.07Å; K249-L254 HydrophobicContact CB-CG 4.45Å; R252-L254 PolarHBondContact O-N 3.14Å; L254-L261 HydrophobicContact CD1-CD1 4.29Å; L254-L261 HydrophobicContact CD2-CD1 4.23Å; L254-I263 HydrophobicContact CB-CD1 4.42Å; L254-L272 HydrophobicContact CD1-CD1 4.2Å; L254-L272 HydrophobicContact CD1-CD2 3.64Å; L254-Y285 HydrophobicContact CD1-CD1 3.76Å; L254-Y285 HydrophobicContact CD1-CE1 3.78Å
255L94.1Very high93.8Very high92 Ų9277 Ų7748%0.48239%0.394SS..  trans-115.4143.4-178.4-61.8178.9000110R253 G257 I258R253-L255 HydrophobicContact CG-CD2 4.49Å; L255-G257 PolarHBondContact O-N 2.67Å; L255-I258 HydrophobicContact CB-CB 4.46Å; L255-I258 HydrophobicContact CB-CD1 3.63Å; L255-I258 HydrophobicContact CB-CG1 4.02Å; L255-I258 HydrophobicContact CD1-CD1 3.74Å; L255-I258 HydrophobicContact CG-CD1 4.31Å
256N94.3Very high93.6Very high99 Ų9983.7 Ų83.753%0.52943%0.425SS..THydrogen-bonded Turntrans-66.6132.1-179.3-173.827000111.3I258 K262 I263N256-I258 VanDerWaalsContact C-N 3.34Å; N256-K262 WeakPolarHBondContact OD1-CA 3.28Å; N256-I263 HydrophobicContact CB-CB 4.22Å; N256-I263 PolarHBondContact OD1-N 2.75Å; N256-I263 PolarHBondContact OD1-O 2.9Å
257G90.1Very high93.2Very high64 Ų6483.5 Ų83.566%0.6643%0.433SS*.THydrogen-bonded Turntrans81.67.117600000115.1L255 L261L255-G257 PolarHBondContact O-N 2.67Å; G257-L261 VanDerWaalsContact CA-O 3.22Å; G257-L261 WeakPolarHBondContact CA-O 3.43Å; G257-L261 PolarHBondContact N-O 2.83Å
258I88.9Confident93.1Very high82 Ų8289.4 Ų89.442%0.42146%0.459SS..SBendtrans-106.3144.7-179.7-54.7-166.5000109.7L255 N256 G260 L261L255-I258 HydrophobicContact CB-CB 4.46Å; L255-I258 HydrophobicContact CB-CD1 3.63Å; L255-I258 HydrophobicContact CB-CG1 4.02Å; L255-I258 HydrophobicContact CD1-CD1 3.74Å; L255-I258 HydrophobicContact CG-CD1 4.31Å; N256-I258 VanDerWaalsContact C-N 3.34Å; I258-G260 VanDerWaalsContact C-N 3.28Å; I258-G260 PolarHBondContact O-N 2.96Å; I258-L261 WeakPolarHBondContact O-CB 3.47Å; I258-L261 PolarHBondContact O-N 2.79Å
259N86.5Confident93.1Very high148 Ų14889.3 Ų89.379%0.79146%0.46SS*.THydrogen-bonded Turntrans54.636.1176-60.6-15.1000114.7L261N259-L261 PolarHBondContact O-N 2.88Å
260G87.8Confident93.2Very high44 Ų4487.1 Ų87.145%0.45445%0.451SS..THydrogen-bonded Turntrans70.615.9-179.600000114.3I258 F275I258-G260 VanDerWaalsContact C-N 3.28Å; I258-G260 PolarHBondContact O-N 2.96Å; G260-F275 WeakPolarHBondContact O-CD2 3.27Å; G260-F275 PolarHBondContact O-N 2.98Å; G260-F275 VanDerWaalsContact O-N 3.16Å
261L94Very high93.7Very high13 Ų1381.7 Ų81.77%0.06843%0.426CS..EExtended strand (participates in β ladder)trans-100.8147.1175.9-57.3172.9000111.7L254 G257 I258 N259 L272 I273 F274L254-L261 HydrophobicContact CD1-CD1 4.29Å; L254-L261 HydrophobicContact CD2-CD1 4.23Å; G257-L261 VanDerWaalsContact CA-O 3.22Å; G257-L261 WeakPolarHBondContact CA-O 3.43Å; G257-L261 PolarHBondContact N-O 2.83Å; I258-L261 WeakPolarHBondContact O-CB 3.47Å; I258-L261 PolarHBondContact O-N 2.79Å; N259-L261 PolarHBondContact O-N 2.88Å; L261-L272 HydrophobicContact CB-CD1 4.36Å; L261-L272 HydrophobicContact CD1-CD1 4.5Å; L261-L272 HydrophobicContact CD2-CD1 4.42Å; L261-I273 CarbonylContact C-O 2.98Å; L261-I273 WeakPolarHBondContact CA-O 3.36Å; L261-F274 HydrophobicContact CD2-CB 4.44Å; L261-F274 HydrophobicContact CD2-CD1 3.18Å; L261-F274 HydrophobicContact CD2-CD2 4.38Å; L261-F274 HydrophobicContact CD2-CE1 3.27Å; L261-F274 HydrophobicContact CD2-CE2 4.43Å; L261-F274 HydrophobicContact CD2-CG 3.76Å; L261-F274 HydrophobicContact CD2-CZ 3.92Å
262K96.8Very high94.1Very high80 Ų8074 Ų7435%0.34839%0.385SS..EExtended strand (participates in β ladder)trans-130.4132.9168.9-170-177-173.4-169.70109.7N256 E264 I273 F275N256-K262 WeakPolarHBondContact OD1-CA 3.28Å; K262-E264 HydrophobicContact CD-CG 4.1Å; K262-E264 WeakPolarHBondContact CD-OE1 3.41Å; K262-E264 WeakPolarHBondContact CE-OE1 3.28Å; K262-E264 HydrophobicContact CG-CG 4.17Å; K262-E264 IonicContact NZ-OE1 3.93Å; K262-E264 PolarHBondContact NZ-OE1 3.44Å; K262-I273 HydrophobicContact CB-CB 4.25Å; K262-I273 PolarHBondContact N-O 2.88Å; K262-I273 WeakPolarHBondContact O-CB 3.39Å; K262-I273 PolarHBondContact O-N 2.83Å; K262-F275 HydrophobicContact CB-CE2 4.01Å; K262-F275 HydrophobicContact CB-CZ 4.03Å; K262-F275 HydrophobicContact CD-CZ 4.08Å
263I97.4Very high94.2Very high28 Ų2864.8 Ų64.814%0.14435%0.35CS..EExtended strand (participates in β ladder)trans-108121.5174.5-59.6173.2000107.9W247 L254 N256 L271 L272W247-I263 HydrophobicContact CB-CD1 4.31Å; L254-I263 HydrophobicContact CB-CD1 4.42Å; N256-I263 HydrophobicContact CB-CB 4.22Å; N256-I263 PolarHBondContact OD1-N 2.75Å; N256-I263 PolarHBondContact OD1-O 2.9Å; I263-L271 WeakPolarHBondContact CA-O 3.5Å; I263-L272 HydrophobicContact CD1-CD1 4.41Å; I263-L272 HydrophobicContact CG1-CD1 3.77Å
264E96.4Very high94.2Very high73 Ų7358.3 Ų58.334%0.34133%0.326SS..EExtended strand (participates in β ladder)trans-120.8122.4177.6-67.7-177.2173.500109.8K262 S270 L271 I273K262-E264 HydrophobicContact CD-CG 4.1Å; K262-E264 WeakPolarHBondContact CD-OE1 3.41Å; K262-E264 WeakPolarHBondContact CE-OE1 3.28Å; K262-E264 HydrophobicContact CG-CG 4.17Å; K262-E264 IonicContact NZ-OE1 3.93Å; K262-E264 PolarHBondContact NZ-OE1 3.44Å; E264-S270 CarbonylContact O-C 3.57Å; E264-S270 WeakPolarHBondContact O-CA 3.47Å; E264-L271 HydrophobicContact CB-CB 4.49Å; E264-L271 PolarHBondContact N-O 3.48Å; E264-L271 PolarHBondContact O-N 3.11Å; E264-I273 HydrophobicContact CB-CD1 4.38Å; E264-I273 HydrophobicContact CG-CD1 3.91Å; E264-I273 WeakPolarHBondContact OE2-CD1 3.25Å
265T95.2Very high94.2Very high65 Ų6562.8 Ų62.840%0.39934%0.344SS..EExtended strand (participates in β ladder)trans-119.1117.5179.8-58.90000109.8F245 Q269 S270F245-T265 HydrophobicContact CD2-CG2 3.78Å; F245-T265 HydrophobicContact CE2-CG2 4.46Å; T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 WeakPolarHBondContact CA-O 3.09Å; T265-S270 PolarHBondContact OG1-OG 3.39Å
266Q92.1Very high94.2Very high162 Ų16263.3 Ų63.376%0.75735%0.348SS*.EExtended strand (participates in β ladder)trans-137.7129.7-178.9-168.3-175.225.100111K268 Q269Q266-K268 PolarHBondContact O-N 2.83Å; Q266-Q269 PolarHBondContact N-O 2.93Å; Q266-Q269 WeakPolarHBondContact O-CB 3.36Å; Q266-Q269 PolarHBondContact O-N 2.78Å; Q266-Q269 VanDerWaalsContact O-O 3.05Å
267G90.7Very high94.3Very high31 Ų3158.7 Ų58.732%0.3232%0.323SS..THydrogen-bonded Turntrans46.6-130.6-170.800000113R242 Q269R242-G267 VanDerWaalsContact CZ-C 3.43Å; R242-G267 VanDerWaalsContact CZ-N 3.34Å; R242-G267 PolarHBondContact NE-O 3.23Å; R242-G267 VanDerWaalsContact NH2-C 3.32Å; R242-G267 PolarHBondContact NH2-O 3.34Å; G267-Q269 PolarHBondContact O-N 2.92Å
268K94.8Very high94.5Very high125 Ų12557.7 Ų57.754%0.54331%0.306SS..THydrogen-bonded Turntrans-78.74.7-179.4-64.1-178.3-177.6-176.90113.6E236 A237 F245 Q266E236-K268 CarbonylContact C-O 3.48Å; E236-K268 WeakPolarHBondContact CA-O 3.39Å; A237-K268 PolarHBondContact N-O 2.99Å; A237-K268 WeakPolarHBondContact O-CB 3.22Å; F245-K268 WeakPolarHBondContact CZ-O 3.19Å; Q266-K268 PolarHBondContact O-N 2.83Å
269Q96.6Very high94.6Very high54 Ų5461.2 Ų61.225%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-119.9141.5-169.6-174.1179.192.500111.8Q234 C235 E236 T265 Q266 G267 L271Q234-Q269 HydrophobicContact CG-CG 4.23Å; C235-Q269 CarbonylContact O-C 3.4Å; C235-Q269 WeakPolarHBondContact O-CA 3.29Å; E236-Q269 HydrophobicContact CG-CB 3.85Å; E236-Q269 HydrophobicContact CG-CG 3.77Å; E236-Q269 PolarHBondContact OE1-NE2 3.47Å; T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 WeakPolarHBondContact CA-O 3.09Å; Q266-Q269 PolarHBondContact N-O 2.93Å; Q266-Q269 WeakPolarHBondContact O-CB 3.36Å; Q266-Q269 PolarHBondContact O-N 2.78Å; Q266-Q269 VanDerWaalsContact O-O 3.05Å; G267-Q269 PolarHBondContact O-N 2.92Å; Q269-L271 HydrophobicContact CG-CD2 4.02Å; Q269-L271 HydrophobicContact CG-CG 4.41Å
270S97.8Very high94.9Very high0 Ų062.3 Ų62.30%032%0.321CS..EExtended strand (participates in β ladder)trans-125.5138.3165.7-169.80000110.2C235 F245 W247 E264 T265C235-S270 PolarHBondContact N-O 2.83Å; C235-S270 PolarHBondContact O-N 2.88Å; F245-S270 VanDerWaalsContact CG-CB 3.43Å; W247-S270 PolarHBondContact NE1-OG 3.34Å; E264-S270 CarbonylContact O-C 3.57Å; E264-S270 WeakPolarHBondContact O-CA 3.47Å; T265-S270 PolarHBondContact OG1-OG 3.39Å
271L97.6Very high95.2Very high34 Ų3461.5 Ų61.518%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-118.2130179.3-56.8179.2000109.2V232 L233 Q234 I263 E264 Q269 I273V232-L271 HydrophobicContact CG1-CB 4.32Å; V232-L271 HydrophobicContact CG1-CD2 4.22Å; L233-L271 WeakPolarHBondContact O-CA 3.45Å; Q234-L271 HydrophobicContact CB-CD2 3.72Å; Q234-L271 HydrophobicContact CG-CD2 3.74Å; I263-L271 WeakPolarHBondContact CA-O 3.5Å; E264-L271 HydrophobicContact CB-CB 4.49Å; E264-L271 PolarHBondContact N-O 3.48Å; E264-L271 PolarHBondContact O-N 3.11Å; Q269-L271 HydrophobicContact CG-CD2 4.02Å; Q269-L271 HydrophobicContact CG-CG 4.41Å; L271-I273 HydrophobicContact CB-CD1 4.41Å; L271-I273 HydrophobicContact CB-CG1 4.2Å
272L97.6Very high95.3Very high0 Ų063.7 Ų63.70%031%0.314CS..EExtended strand (participates in β ladder)trans-102.7114.1166.1176.266.6000108.2V232 L233 W247 L254 L261 I263 F274 Y285V232-L272 WeakPolarHBondContact CA-O 3.4Å; L233-L272 HydrophobicContact CB-CB 4.32Å; L233-L272 HydrophobicContact CD1-CD2 4.36Å; L233-L272 PolarHBondContact N-O 2.79Å; L233-L272 PolarHBondContact O-N 3.48Å; W247-L272 HydrophobicContact CB-CD2 4.43Å; W247-L272 HydrophobicContact CD2-CB 3.7Å; W247-L272 HydrophobicContact CD2-CD2 4.13Å; W247-L272 HydrophobicContact CD2-CG 4.45Å; W247-L272 HydrophobicContact CE3-CB 3.93Å; W247-L272 HydrophobicContact CE3-CD2 3.83Å; W247-L272 HydrophobicContact CG-CB 4.15Å; W247-L272 HydrophobicContact CG-CD2 4.4Å; W247-L272 HydrophobicContact CH2-CB 4.23Å; W247-L272 HydrophobicContact CZ2-CB 4.03Å; W247-L272 HydrophobicContact CZ3-CB 4.18Å; W247-L272 HydrophobicContact CZ3-CD2 4.41Å; L254-L272 HydrophobicContact CD1-CD1 4.2Å; L254-L272 HydrophobicContact CD1-CD2 3.64Å; L261-L272 HydrophobicContact CB-CD1 4.36Å; L261-L272 HydrophobicContact CD1-CD1 4.5Å; L261-L272 HydrophobicContact CD2-CD1 4.42Å; I263-L272 HydrophobicContact CD1-CD1 4.41Å; I263-L272 HydrophobicContact CG1-CD1 3.77Å; L272-F274 HydrophobicContact CD2-CE2 3.95Å; L272-F274 HydrophobicContact CD2-CZ 3.82Å; L272-F274 HydrophobicContact CG-CE2 3.84Å; L272-F274 HydrophobicContact CG-CZ 4.1Å; L272-Y285 HydrophobicContact CD2-CD1 3.61Å; L272-Y285 HydrophobicContact CD2-CE1 3.94Å; L272-Y285 HydrophobicContact CD2-CG 4.33Å
273I97.3Very high95.1Very high1 Ų161.1 Ų61.11%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-110.5129-171.4-58.6163.2000109R230 V232 L261 K262 E264 L271R230-I273 HydrophobicContact CG-CG2 4.46Å; V232-I273 HydrophobicContact CG1-CG1 4.28Å; V232-I273 HydrophobicContact CG2-CG1 4.32Å; V232-I273 HydrophobicContact CG2-CG2 4.47Å; L261-I273 CarbonylContact C-O 2.98Å; L261-I273 WeakPolarHBondContact CA-O 3.36Å; K262-I273 HydrophobicContact CB-CB 4.25Å; K262-I273 PolarHBondContact N-O 2.88Å; K262-I273 WeakPolarHBondContact O-CB 3.39Å; K262-I273 PolarHBondContact O-N 2.83Å; E264-I273 HydrophobicContact CB-CD1 4.38Å; E264-I273 HydrophobicContact CG-CD1 3.91Å; E264-I273 WeakPolarHBondContact OE2-CD1 3.25Å; L271-I273 HydrophobicContact CB-CD1 4.41Å; L271-I273 HydrophobicContact CB-CG1 4.2Å
274F96.7Very high95.1Very high2 Ų264.4 Ų64.41%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-103.5122.1172.8-58.7-103.7000107.7R230 G231 L233 L261 L272 V277 D281 Y285 L302R230-F274 VanDerWaalsContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CG-O 3.41Å; G231-F274 PolarHBondContact N-O 2.87Å; G231-F274 PolarHBondContact O-N 2.88Å; L233-F274 HydrophobicContact CD1-CE2 4.26Å; L233-F274 HydrophobicContact CG-CE2 4.13Å; L261-F274 HydrophobicContact CD2-CB 4.44Å; L261-F274 HydrophobicContact CD2-CD1 3.18Å; L261-F274 HydrophobicContact CD2-CD2 4.38Å; L261-F274 HydrophobicContact CD2-CE1 3.27Å; L261-F274 HydrophobicContact CD2-CE2 4.43Å; L261-F274 HydrophobicContact CD2-CG 3.76Å; L261-F274 HydrophobicContact CD2-CZ 3.92Å; L272-F274 HydrophobicContact CD2-CE2 3.95Å; L272-F274 HydrophobicContact CD2-CZ 3.82Å; L272-F274 HydrophobicContact CG-CE2 3.84Å; L272-F274 HydrophobicContact CG-CZ 4.1Å; F274-V277 HydrophobicContact CB-CG2 3.73Å; F274-V277 HydrophobicContact CG-CG2 4.23Å; F274-D281 HydrophobicContact CD1-CB 4.06Å; F274-D281 HydrophobicContact CE1-CB 3.99Å; F274-Y285 HydrophobicContact CE1-CE1 4.27Å; F274-Y285 AromaticContact CE1-CZ 3.9Å; F274-Y285 WeakPolarHBondContact CE1-OH 3.28Å; F274-Y285 HydrophobicContact CZ-CD1 4.48Å; F274-Y285 AromaticContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE2 4.09Å; F274-Y285 AromaticContact CZ-CZ 3.53Å; F274-L302 HydrophobicContact CD1-CD2 4.15Å; F274-L302 HydrophobicContact CD2-CD2 4.21Å; F274-L302 HydrophobicContact CE1-CD2 3.93Å; F274-L302 HydrophobicContact CE2-CD2 4.03Å; F274-L302 HydrophobicContact CG-CD2 4.31Å; F274-L302 HydrophobicContact CZ-CD2 3.89Å
275F95.4Very high95.1Very high121 Ų12161 Ų6153%0.53131%0.312SS..SBendtrans-72.2-38.7178.1-71.9-66.3000112.4G260 K262G260-F275 WeakPolarHBondContact O-CD2 3.27Å; G260-F275 PolarHBondContact O-N 2.98Å; G260-F275 VanDerWaalsContact O-N 3.16Å; K262-F275 HydrophobicContact CB-CE2 4.01Å; K262-F275 HydrophobicContact CB-CZ 4.03Å; K262-F275 HydrophobicContact CD-CZ 4.08Å
276N94.5Very high95.2Very high104 Ų10459.3 Ų59.356%0.55630%0.302SS*.SBendtrans-144.4108.3177.5-175.4-3000108.3G228G228-N276 WeakPolarHBondContact CA-OD1 3.47Å; G228-N276 PolarHBondContact N-OD1 2.81Å; G228-N276 PolarHBondContact O-OD1 3.35Å
277V96.1Very high95.5Very high1 Ų151.6 Ų51.61%0.00627%0.266CS..  trans-71.7131.6-179.3171.50000110.3T225 V227 G228 Q229 F274 D281 Y282 L302T225-V277 HydrophobicContact CG2-CB 4.37Å; T225-V277 HydrophobicContact CG2-CG2 3.81Å; V227-V277 CarbonylContact C-O 3.55Å; V227-V277 VanDerWaalsContact CA-O 3.27Å; V227-V277 WeakPolarHBondContact CA-O 3.47Å; V227-V277 WeakPolarHBondContact CG1-O 3.34Å; G228-V277 PolarHBondContact N-O 2.87Å; Q229-V277 WeakPolarHBondContact O-CG2 3.45Å; Q229-V277 PolarHBondContact O-N 2.76Å; F274-V277 HydrophobicContact CB-CG2 3.73Å; F274-V277 HydrophobicContact CG-CG2 4.23Å; V277-D281 HydrophobicContact CG1-CB 4.34Å; V277-Y282 HydrophobicContact CG1-CD1 4.4Å; V277-Y282 HydrophobicContact CG1-CE1 3.74Å; V277-L302 HydrophobicContact CG1-CD2 4.22Å; V277-L302 HydrophobicContact CG2-CD2 4.25Å
278S94.4Very high95.8Very high43 Ų4351 Ų5130%0.30126%0.256SS..  trans-107.5168170.169.60000111.5E280 D281S278-E280 PolarHBondContact O-N 2.96Å; S278-D281 WeakPolarHBondContact CB-OD2 3.48Å; S278-D281 PolarHBondContact N-OD2 3.46Å; S278-D281 WeakPolarHBondContact O-CB 3.28Å; S278-D281 PolarHBondContact O-N 2.83Å; S278-D281 VanDerWaalsContact O-N 3.13Å; S278-D281 VanDerWaalsContact OG-CG 3.26Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 PolarHBondContact OG-OD2 3.23Å
279E92.1Very high96Very high157 Ų15745 Ų4573%0.73423%0.23SC*.G310 helixtrans-62.5-31.8174.9-67.6-167.4167.500112.4V227 D281 Y282V227-E279 HydrophobicContact CG2-CG 3.95Å; E279-D281 PolarHBondContact O-N 2.84Å; E279-Y282 HydrophobicContact CG-CE2 4.48Å; E279-Y282 WeakPolarHBondContact O-CD2 3.12Å; E279-Y282 PolarHBondContact O-N 3.34Å
280E92Very high96Very high170 Ų17044.9 Ų44.979%0.79423%0.23SC*.G310 helixtrans-66.9-25.1176.9-62.7-177.2-172.700112K249 S278 Y282K249-E280 PolarHBondContact NZ-O 3.41Å; S278-E280 PolarHBondContact O-N 2.96Å; E280-Y282 VanDerWaalsContact C-N 3.31Å; E280-Y282 PolarHBondContact O-N 2.9Å
281D94.2Very high96Very high28 Ų2846 Ų4615%0.1524%0.236CC..G310 helixtrans-74.1-19.3-179.7-67-49.4000113.3F274 V277 S278 E279 Y285 L302F274-D281 HydrophobicContact CD1-CB 4.06Å; F274-D281 HydrophobicContact CE1-CB 3.99Å; V277-D281 HydrophobicContact CG1-CB 4.34Å; S278-D281 WeakPolarHBondContact CB-OD2 3.48Å; S278-D281 PolarHBondContact N-OD2 3.46Å; S278-D281 WeakPolarHBondContact O-CB 3.28Å; S278-D281 PolarHBondContact O-N 2.83Å; S278-D281 VanDerWaalsContact O-N 3.13Å; S278-D281 VanDerWaalsContact OG-CG 3.26Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 PolarHBondContact OG-OD2 3.23Å; E279-D281 PolarHBondContact O-N 2.84Å; D281-Y285 VanDerWaalsContact O-CE2 3.26Å; D281-Y285 WeakPolarHBondContact O-CE2 3.25Å; D281-Y285 VanDerWaalsContact O-CZ 3.32Å; D281-Y285 PolarHBondContact O-OH 2.82Å; D281-L302 HydrophobicContact CB-CD2 3.99Å
282Y94.9Very high96Very high58 Ų5849.8 Ų49.823%0.22726%0.261CS..  trans-64.6151.6177.5-62.1-48.3000112.1T225 V227 V277 E279 E280 L302 Y303 G304T225-Y282 WeakPolarHBondContact O-CE1 3.29Å; T225-Y282 PolarHBondContact O-OH 2.67Å; V227-Y282 HydrophobicContact CG2-CE2 4.06Å; V227-Y282 WeakPolarHBondContact CG2-OH 3.14Å; V227-Y282 PolarHBondContact N-OH 3.49Å; V277-Y282 HydrophobicContact CG1-CD1 4.4Å; V277-Y282 HydrophobicContact CG1-CE1 3.74Å; E279-Y282 HydrophobicContact CG-CE2 4.48Å; E279-Y282 WeakPolarHBondContact O-CD2 3.12Å; E279-Y282 PolarHBondContact O-N 3.34Å; E280-Y282 VanDerWaalsContact C-N 3.31Å; E280-Y282 PolarHBondContact O-N 2.9Å; Y282-L302 WeakPolarHBondContact CA-O 3.37Å; Y282-L302 HydrophobicContact CD1-CD2 4.41Å; Y282-L302 HydrophobicContact CD1-CG 4.11Å; Y282-Y303 VanDerWaalsContact CD1-C 3.45Å; Y282-Y303 WeakPolarHBondContact CE1-O 3.39Å; Y282-G304 VanDerWaalsContact CE1-N 3.26Å; Y282-G304 VanDerWaalsContact CZ-CA 3.45Å; Y282-G304 WeakPolarHBondContact OH-CA 3.3Å
283G94.2Very high96Very high27 Ų2752.8 Ų52.828%0.27828%0.276SS..EExtended strand (participates in β ladder)trans130.5-164.3176.500000113.9Y285 I301 L302G283-Y285 WeakPolarHBondContact O-CD2 3.39Å; G283-I301 WeakPolarHBondContact O-CA 3.45Å; G283-L302 PolarHBondContact N-O 3.06Å; G283-L302 PolarHBondContact O-N 2.98Å
284N95.9Very high95.9Very high96 Ų9653.9 Ų53.951%0.51329%0.287SS..EExtended strand (participates in β ladder)trans-88.3132.8-176.4-68.3-23.1000111.1I301N284-I301 WeakPolarHBondContact OD1-CG1 3.34Å
285Y97Very high96Very high2 Ų259.7 Ų59.71%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-119.7142.3173.4-68.6-94.1000108.8L233 Y248 K249 L254 L272 F274 D281 G283 S299 I300 L302L233-Y285 HydrophobicContact CD1-CD1 4.36Å; L233-Y285 HydrophobicContact CD1-CD2 3.51Å; L233-Y285 HydrophobicContact CD1-CE2 4.25Å; L233-Y285 HydrophobicContact CD1-CG 3.59Å; Y248-Y285 CarbonylContact O-C 3.5Å; Y248-Y285 VanDerWaalsContact O-CA 3.23Å; Y248-Y285 WeakPolarHBondContact O-CA 3.37Å; K249-Y285 HydrophobicContact CB-CD1 3.92Å; K249-Y285 HydrophobicContact CB-CE1 3.75Å; K249-Y285 HydrophobicContact CD-CE1 3.76Å; K249-Y285 WeakPolarHBondContact CE-OH 3.36Å; K249-Y285 HydrophobicContact CG-CD1 4.16Å; K249-Y285 HydrophobicContact CG-CE1 3.77Å; K249-Y285 PolarHBondContact NZ-OH 2.67Å; L254-Y285 HydrophobicContact CD1-CD1 3.76Å; L254-Y285 HydrophobicContact CD1-CE1 3.78Å; L272-Y285 HydrophobicContact CD2-CD1 3.61Å; L272-Y285 HydrophobicContact CD2-CE1 3.94Å; L272-Y285 HydrophobicContact CD2-CG 4.33Å; F274-Y285 HydrophobicContact CE1-CE1 4.27Å; F274-Y285 AromaticContact CE1-CZ 3.9Å; F274-Y285 WeakPolarHBondContact CE1-OH 3.28Å; F274-Y285 HydrophobicContact CZ-CD1 4.48Å; F274-Y285 AromaticContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE2 4.09Å; F274-Y285 AromaticContact CZ-CZ 3.53Å; D281-Y285 VanDerWaalsContact O-CE2 3.26Å; D281-Y285 WeakPolarHBondContact O-CE2 3.25Å; D281-Y285 VanDerWaalsContact O-CZ 3.32Å; D281-Y285 PolarHBondContact O-OH 2.82Å; G283-Y285 WeakPolarHBondContact O-CD2 3.39Å; Y285-S299 CarbonylContact O-C 3.52Å; Y285-S299 WeakPolarHBondContact O-CA 3.3Å; Y285-I300 PolarHBondContact N-O 2.84Å; Y285-I300 PolarHBondContact O-N 2.86Å; Y285-L302 HydrophobicContact CD2-CB 4.23Å; Y285-L302 HydrophobicContact CE2-CB 3.84Å
286T97.8Very high96.1Very high30 Ų3055.8 Ų55.818%0.18430%0.303CS..EExtended strand (participates in β ladder)trans-112.9119.8176.3-57.50000108.8W247 Y248 V288 N297 A298W247-T286 WeakPolarHBondContact CA-O 3.43Å; Y248-T286 PolarHBondContact N-O 3.3Å; Y248-T286 PolarHBondContact O-N 3.07Å; T286-V288 HydrophobicContact CG2-CG2 4.1Å; T286-N297 HydrophobicContact CG2-CB 3.84Å; T286-A298 WeakPolarHBondContact CA-O 3.44Å
287C97.5Very high96.2Very high0 Ų055.8 Ų55.80%030%0.303CS..EExtended strand (participates in β ladder)trans-88.4131.2164.964.70000109C235 E246 W247 N297 A298 I300C235-C287 HydrophobicContact CB-CB 3.43Å; C235-C287 VanDerWaalsContact CB-CB 3.43Å; C235-C287 WeakPolarHBondContact CB-SG 3.44Å; C235-C287 WeakPolarHBondContact SG-CB 3.44Å; C235-C287 CovalentContact SG-SG 2.05Å; C235-C287 PolarHBondContact SG-SG 3.29Å; E246-C287 WeakPolarHBondContact O-CA 3.3Å; W247-C287 HydrophobicContact CD2-CB 4.17Å; W247-C287 HydrophobicContact CE3-CB 3.99Å; W247-C287 HydrophobicContact CH2-CB 3.93Å; W247-C287 HydrophobicContact CZ2-CB 4.08Å; W247-C287 HydrophobicContact CZ3-CB 3.88Å; C287-N297 CarbonylContact O-C 3.55Å; C287-N297 WeakPolarHBondContact O-CA 3.41Å; C287-N297 WeakPolarHBondContact O-CB 3.27Å; C287-A298 PolarHBondContact N-O 2.88Å; C287-A298 PolarHBondContact O-N 2.87Å; C287-I300 HydrophobicContact CB-CD1 4.29Å
288V97.9Very high96.3Very high17 Ų1756.7 Ų56.710%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-114.4125.7176.9-178.20000107.5F245 E246 Y248 T286 M290 I295 T296 N297F245-V288 CarbonylContact C-O 3.55Å; F245-V288 VanDerWaalsContact CA-O 3.31Å; F245-V288 WeakPolarHBondContact CA-O 3.45Å; E246-V288 HydrophobicContact CB-CB 4.38Å; E246-V288 PolarHBondContact N-O 2.84Å; E246-V288 PolarHBondContact O-N 2.9Å; Y248-V288 HydrophobicContact CD2-CG2 3.72Å; Y248-V288 HydrophobicContact CE2-CB 4.34Å; Y248-V288 HydrophobicContact CE2-CG2 3.78Å; T286-V288 HydrophobicContact CG2-CG2 4.1Å; V288-M290 HydrophobicContact CG1-CE 4.07Å; V288-I295 HydrophobicContact CG1-CG2 3.63Å; V288-T296 WeakPolarHBondContact CA-O 3.24Å; V288-N297 HydrophobicContact CG2-CB 4Å
289A98.3Very high96.3Very high0 Ų058.8 Ų58.80%033%0.325CS..EExtended strand (participates in β ladder)trans-113.2131.3174.500000109.4P215 A237 A243 D244 F245 I295 T296P215-A289 HydrophobicContact CB-CB 4.06Å; P215-A289 VanDerWaalsContact CG-O 3.23Å; P215-A289 WeakPolarHBondContact CG-O 3.44Å; A237-A289 HydrophobicContact CB-CB 3.65Å; A243-A289 HydrophobicContact CB-CB 4.13Å; D244-A289 CarbonylContact O-C 3.49Å; D244-A289 WeakPolarHBondContact O-CA 3.42Å; F245-A289 HydrophobicContact CD1-CB 4.12Å; F245-A289 HydrophobicContact CE1-CB 3.88Å; F245-A289 HydrophobicContact CZ-CB 4.32Å; A289-I295 WeakPolarHBondContact O-CA 3.33Å; A289-T296 HydrophobicContact CB-CG2 3.98Å; A289-T296 PolarHBondContact N-O 2.94Å; A289-T296 PolarHBondContact O-N 3.2Å
290M97.8Very high96.5Very high51 Ų5151.3 Ų51.325%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-137.6144.9-176.864.8-176.976.200112.5A243 D244 E246 V288 G294 I295A243-M290 CarbonylContact C-O 3.49Å; A243-M290 WeakPolarHBondContact CA-O 3.31Å; D244-M290 HydrophobicContact CB-CG 4.22Å; D244-M290 PolarHBondContact N-O 2.83Å; D244-M290 PolarHBondContact O-N 2.63Å; E246-M290 HydrophobicContact CG-CE 4.06Å; V288-M290 HydrophobicContact CG1-CE 4.07Å; M290-G294 WeakPolarHBondContact CA-O 3.26Å; M290-I295 HydrophobicContact CB-CB 4.43Å; M290-I295 HydrophobicContact CB-CG1 3.88Å; M290-I295 HydrophobicContact CB-CG2 4.3Å
291N97.5Very high96.6Very high23 Ų2344.6 Ų44.612%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-141.2-174.1165.475-2000109.6Y213 P215 V240 P241 M293 G294Y213-N291 PolarHBondContact O-ND2 2.92Å; P215-N291 VanDerWaalsContact CD-OD1 3.28Å; P215-N291 WeakPolarHBondContact CD-OD1 3.42Å; V240-N291 PolarHBondContact O-ND2 2.82Å; P241-N291 WeakPolarHBondContact O-CB 2.96Å; P241-N291 PolarHBondContact O-ND2 3.34Å; N291-M293 PolarHBondContact O-N 3.13Å; N291-M293 VanDerWaalsContact O-N 3.1Å; N291-M293 WeakPolarHBondContact OD1-CA 3.46Å; N291-M293 VanDerWaalsContact OD1-CB 3.3Å; N291-M293 WeakPolarHBondContact OD1-CB 3.49Å; N291-M293 PolarHBondContact OD1-N 3.03Å; N291-G294 PolarHBondContact N-O 2.75Å; N291-G294 PolarHBondContact O-N 3.29Å; N291-G294 PolarHBondContact OD1-N 3.46Å; N291-G294 VanDerWaalsContact OD1-N 3.11Å
292T97.2Very high96.6Very high114 Ų11443.3 Ų43.370%0.69925%0.253SS*.THydrogen-bonded Turntrans-64.6-11.8178.352.30000114.6
293M96.9Very high96.5Very high64 Ų6443.8 Ų43.832%0.31525%0.254SS..THydrogen-bonded Turntrans-99.5-16.1-179.9-57-64.2123.800113N212 P214 N291N212-M293 HydrophobicContact CB-CE 4.18Å; N212-M293 HydrophobicContact CB-CG 3.94Å; N212-M293 HydrophobicContact CB-SD 3.88Å; P214-M293 HydrophobicContact CB-CB 4.17Å; N291-M293 PolarHBondContact O-N 3.13Å; N291-M293 VanDerWaalsContact O-N 3.1Å; N291-M293 WeakPolarHBondContact OD1-CA 3.46Å; N291-M293 VanDerWaalsContact OD1-CB 3.3Å; N291-M293 WeakPolarHBondContact OD1-CB 3.49Å; N291-M293 PolarHBondContact OD1-N 3.03Å
294G96.8Very high96.4Very high24 Ų2443.2 Ų43.225%0.24725%0.249CC..EExtended strand (participates in β ladder)trans161.6-171.3178.300000114.8P215 M290 N291P215-G294 VanDerWaalsContact CD-O 3.3Å; P215-G294 WeakPolarHBondContact CD-O 3.33Å; P215-G294 WeakPolarHBondContact CG-O 3.17Å; M290-G294 WeakPolarHBondContact CA-O 3.26Å; N291-G294 PolarHBondContact N-O 2.75Å; N291-G294 PolarHBondContact O-N 3.29Å; N291-G294 PolarHBondContact OD1-N 3.46Å; N291-G294 VanDerWaalsContact OD1-N 3.11Å
295I97.8Very high95.5Very high124 Ų12443 Ų4364%0.63625%0.253SS*.EExtended strand (participates in β ladder)trans-135141.9-175.2-52.1177.6000108.6V288 A289 M290V288-I295 HydrophobicContact CG1-CG2 3.63Å; A289-I295 WeakPolarHBondContact O-CA 3.33Å; M290-I295 HydrophobicContact CB-CB 4.43Å; M290-I295 HydrophobicContact CB-CG1 3.88Å; M290-I295 HydrophobicContact CB-CG2 4.3Å
296T98Very high94.1Very high39 Ų3946.1 Ų46.124%0.23929%0.285CS..EExtended strand (participates in β ladder)trans-140.7160.9172.2-167.50000110P215 I217 V288 A289P215-T296 HydrophobicContact CB-CG2 3.79Å; P215-T296 HydrophobicContact CG-CG2 3.92Å; P215-T296 WeakPolarHBondContact O-CB 3.4Å; P215-T296 VanDerWaalsContact O-CG2 3.23Å; P215-T296 WeakPolarHBondContact O-CG2 3.21Å; I217-T296 HydrophobicContact CD1-CG2 3.99Å; I217-T296 HydrophobicContact CG1-CG2 3.8Å; V288-T296 WeakPolarHBondContact CA-O 3.24Å; A289-T296 HydrophobicContact CB-CG2 3.98Å; A289-T296 PolarHBondContact N-O 2.94Å; A289-T296 PolarHBondContact O-N 3.2Å
297N97.1Very high92.4Very high104 Ų10446.8 Ų46.856%0.55629%0.294SS*.EExtended strand (participates in β ladder)trans-145.7161.1177.963.225.1000112.4T286 C287 V288T286-N297 HydrophobicContact CG2-CB 3.84Å; C287-N297 CarbonylContact O-C 3.55Å; C287-N297 WeakPolarHBondContact O-CA 3.41Å; C287-N297 WeakPolarHBondContact O-CB 3.27Å; V288-N297 HydrophobicContact CG2-CB 4Å
298A96.7Very high90Very high20 Ų2052.4 Ų52.417%0.16532%0.322CS..EExtended strand (participates in β ladder)trans-144.7144172.800000110.6I217 A220 T286 C287I217-A298 HydrophobicContact CB-CB 4.41Å; I217-A298 HydrophobicContact CD1-CB 3.51Å; I217-A298 VanDerWaalsContact CD1-N 3.29Å; I217-A298 HydrophobicContact CG2-CB 3.94Å; A220-A298 HydrophobicContact CB-CB 3.9Å; T286-A298 WeakPolarHBondContact CA-O 3.44Å; C287-A298 PolarHBondContact N-O 2.88Å; C287-A298 PolarHBondContact O-N 2.87Å
299S95.4Very high88.1Confident86 Ų8654.2 Ų54.260%0.60133%0.329SS*.EExtended strand (participates in β ladder)trans-90.6134.4175.3-60.20000110.7Y285Y285-S299 CarbonylContact O-C 3.52Å; Y285-S299 WeakPolarHBondContact O-CA 3.3Å
300I95.5Very high85.7Confident0 Ų058.9 Ų58.90%035%0.354CS..EExtended strand (participates in β ladder)trans-133.3142.4-175.2-61.7170.3000107.7A220 R221 L233 C235 W247 Y285 C287A220-I300 HydrophobicContact CB-CD1 3.95Å; A220-I300 HydrophobicContact CB-CG1 3.8Å; R221-I300 VanDerWaalsContact C-CG2 3.5Å; R221-I300 WeakPolarHBondContact O-CG2 3.4Å; L233-I300 HydrophobicContact CB-CG2 4.13Å; L233-I300 HydrophobicContact CD1-CG2 3.97Å; L233-I300 HydrophobicContact CD2-CG2 3.73Å; L233-I300 HydrophobicContact CG-CG2 4.15Å; C235-I300 HydrophobicContact CB-CD1 4Å; W247-I300 HydrophobicContact CH2-CD1 3.61Å; W247-I300 HydrophobicContact CZ3-CD1 3.74Å; Y285-I300 PolarHBondContact N-O 2.84Å; Y285-I300 PolarHBondContact O-N 2.86Å; C287-I300 HydrophobicContact CB-CD1 4.29Å
301I94.4Very high83.3Confident30 Ų3063.7 Ų63.715%0.15439%0.386CS..EExtended strand (participates in β ladder)trans-112.7132.2-175.4-47-170.5000110.4S222 T223 G283 N284 Y303 G313S222-I301 CarbonylContact C-O 3.5Å; S222-I301 VanDerWaalsContact CA-O 3.22Å; S222-I301 WeakPolarHBondContact CA-O 3.49Å; S222-I301 VanDerWaalsContact CB-O 3.22Å; S222-I301 WeakPolarHBondContact CB-O 3.24Å; S222-I301 PolarHBondContact OG-N 2.77Å; T223-I301 PolarHBondContact N-O 2.88Å; G283-I301 WeakPolarHBondContact O-CA 3.45Å; N284-I301 WeakPolarHBondContact OD1-CG1 3.34Å; I301-Y303 HydrophobicContact CB-CD1 4.49Å; I301-Y303 HydrophobicContact CG2-CD1 4.22Å; I301-G313 VanDerWaalsContact CD1-O 3.24Å; I301-G313 WeakPolarHBondContact CD1-O 3.48Å
302L94.9Very high80.9Confident1 Ų169.7 Ų69.71%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-99.4125.1161.1-17272.8000108.5T223 L233 F274 V277 D281 Y282 G283 Y285T223-L302 WeakPolarHBondContact O-CA 2.94Å; L233-L302 HydrophobicContact CD1-CB 4.38Å; L233-L302 HydrophobicContact CD2-CB 4.27Å; L233-L302 HydrophobicContact CD2-CD1 4.1Å; F274-L302 HydrophobicContact CD1-CD2 4.15Å; F274-L302 HydrophobicContact CD2-CD2 4.21Å; F274-L302 HydrophobicContact CE1-CD2 3.93Å; F274-L302 HydrophobicContact CE2-CD2 4.03Å; F274-L302 HydrophobicContact CG-CD2 4.31Å; F274-L302 HydrophobicContact CZ-CD2 3.89Å; V277-L302 HydrophobicContact CG1-CD2 4.22Å; V277-L302 HydrophobicContact CG2-CD2 4.25Å; D281-L302 HydrophobicContact CB-CD2 3.99Å; Y282-L302 WeakPolarHBondContact CA-O 3.37Å; Y282-L302 HydrophobicContact CD1-CD2 4.41Å; Y282-L302 HydrophobicContact CD1-CG 4.11Å; G283-L302 PolarHBondContact N-O 3.06Å; G283-L302 PolarHBondContact O-N 2.98Å; Y285-L302 HydrophobicContact CD2-CB 4.23Å; Y285-L302 HydrophobicContact CE2-CB 3.84Å
303Y93Very high78.6Confident67 Ų6765 Ų6526%0.26339%0.392SS..EExtended strand (participates in β ladder)trans-138.7157.6-175.860.9-88.6000113T223 G224 T225 Y282 I301 A307T223-Y303 VanDerWaalsContact C-CE1 3.5Å; T223-Y303 WeakPolarHBondContact O-CD1 3.4Å; T223-Y303 PolarHBondContact O-N 2.01Å; T223-Y303 VanDerWaalsContact O-N 3.13Å; G224-Y303 CarbonylContact C-O 3.54Å; G224-Y303 WeakPolarHBondContact CA-O 3.35Å; T225-Y303 PolarHBondContact N-O 2.83Å; Y282-Y303 VanDerWaalsContact CD1-C 3.45Å; Y282-Y303 WeakPolarHBondContact CE1-O 3.39Å; I301-Y303 HydrophobicContact CB-CD1 4.49Å; I301-Y303 HydrophobicContact CG2-CD1 4.22Å; Y303-A307 HydrophobicContact CD2-CB 4.09Å
304G90.6Very high76.5Confident16 Ų1665.2 Ų65.217%0.16540%0.397CS..  trans-80.8158.617900000113.5Y282 G306 A307Y282-G304 VanDerWaalsContact CE1-N 3.26Å; Y282-G304 VanDerWaalsContact CZ-CA 3.45Å; Y282-G304 WeakPolarHBondContact OH-CA 3.3Å; G304-G306 PolarHBondContact O-N 3.29Å; G304-A307 PolarHBondContact O-N 2.84Å
305P77.8Confident74.3Confident91 Ų9169 Ų6959%0.59142%0.417SS*.THydrogen-bonded Turntrans-58.8126.6175.1-18.229.6000111P226P226-P305 HydrophobicContact CB-CG 3.71Å; P226-P305 HydrophobicContact CG-CG 3.52Å
306G66.9Low72.1Confident67 Ų6765.7 Ų65.769%0.69140%0.402SS*.THydrogen-bonded Turntrans102.8-7.9178.700000115.5G304 M308G304-G306 PolarHBondContact O-N 3.29Å; G306-M308 PolarHBondContact O-N 2.84Å
307A61.8Low69.7Low45 Ų4572 Ų7237%0.37243%0.434SS..  trans-72.9107.816400000109Y303 G304 H309Y303-A307 HydrophobicContact CD2-CB 4.09Å; G304-A307 PolarHBondContact O-N 2.84Å; A307-H309 PolarHBondContact O-N 2.79Å
308M48.9Very low67.2Low118 Ų11876.4 Ų76.458%0.58144%0.443SS*.  trans-73.5117.7171.2-78.8-177.487.300108.3G306 V316G306-M308 PolarHBondContact O-N 2.84Å; M308-V316 HydrophobicContact CB-CB 3.94Å; M308-V316 HydrophobicContact CB-CG2 4.43Å; M308-V316 PolarHBondContact O-N 3.07Å
309H56.3Low64.6Low55 Ų5586.9 Ų86.926%0.25548%0.478SS..BIsolated β-bridgetrans-119.5141.1167.7-70.5-95.3000108.9A307 G313 T314 P315A307-H309 PolarHBondContact O-N 2.79Å; H309-G313 PolarHBondContact ND1-O 2.79Å; H309-T314 CarbonylContact C-O 3.54Å; H309-T314 WeakPolarHBondContact CA-O 3.39Å; H309-P315 WeakPolarHBondContact ND1-CA 3.46Å
310D48.9Very low61.9Low97 Ų9788 Ų8852%0.51949%0.485SS..  trans-66.5173.1172.9-64.7-40.4000110.6N312 G313 T314 V316D310-N312 PolarHBondContact O-N 3.14Å; D310-G313 PolarHBondContact O-N 3.03Å; D310-T314 WeakPolarHBondContact CB-OG1 3.25Å; D310-T314 PolarHBondContact N-O 2.64Å; D310-T314 PolarHBondContact OD2-OG1 2.82Å; D310-V316 WeakPolarHBondContact OD1-CG2 3.32Å
311V46.9Very low59.6Low152 Ų15294.1 Ų94.192%0.92153%0.527SS*.THydrogen-bonded Turntrans-52.6-19.3179.7-174.30000113.3
312N46.2Very low57.2Low150 Ų15096.9 Ų96.980%0.80255%0.554SS**THydrogen-bonded Turntrans-103.610.2178.3-66.9-12.4000114.7D310 T314D310-N312 PolarHBondContact O-N 3.14Å; N312-T314 PolarHBondContact O-N 3.13Å
313G50.2Low54.8Low14 Ų14102.8 Ų102.814%0.14459%0.594CS.*  trans79.88.5177.200000115.4I301 H309 D310I301-G313 VanDerWaalsContact CD1-O 3.24Å; I301-G313 WeakPolarHBondContact CD1-O 3.48Å; H309-G313 PolarHBondContact ND1-O 2.79Å; D310-G313 PolarHBondContact O-N 3.03Å
314T53.2Low52.3Low70 Ų70107.9 Ų107.943%0.42963%0.625SS.*  trans-75132175.841.60000111.4H309 D310 N312 V316H309-T314 CarbonylContact C-O 3.54Å; H309-T314 WeakPolarHBondContact CA-O 3.39Å; D310-T314 WeakPolarHBondContact CB-OG1 3.25Å; D310-T314 PolarHBondContact N-O 2.64Å; D310-T314 PolarHBondContact OD2-OG1 2.82Å; N312-T314 PolarHBondContact O-N 3.13Å; T314-V316 PolarHBondContact O-N 2.97Å
315P49.5Very low50Low102 Ų102115 Ų11566%0.66266%0.659SS**BIsolated β-bridgetrans-67.1125.6179.424.7-30.8000111.1H309H309-P315 WeakPolarHBondContact ND1-CA 3.46Å
316V52.8Low48Very low55 Ų55118.7 Ų118.733%0.33367%0.673SS.*  trans-92.1113.1175.4-175.30000108.6M308 D310 T314 R318M308-V316 HydrophobicContact CB-CB 3.94Å; M308-V316 HydrophobicContact CB-CG2 4.43Å; M308-V316 PolarHBondContact O-N 3.07Å; D310-V316 WeakPolarHBondContact OD1-CG2 3.32Å; T314-V316 PolarHBondContact O-N 2.97Å; V316-R318 PolarHBondContact O-N 2.76Å
317L46.2Very low46.4Very low173 Ų173121.2 Ų121.291%0.90668%0.675SS**  trans-63.6119.6175.9-87.9154.5000110.8R319L317-R319 PolarHBondContact O-N 3.19Å
318R45.2Very low45.1Very low195 Ų195126.2 Ų126.274%0.73670%0.7SS**  trans-68.4118.9166.2-90.5-172170.8-162.1-1.1109.6V316 C320V316-R318 PolarHBondContact O-N 2.76Å; R318-C320 PolarHBondContact O-N 2.97Å
319R42Very low44.5Very low241 Ų241126.3 Ų126.391%0.90971%0.708SS**  trans-74.6106.7155.7-78.7-173.8177.4-161.4-0.3108L317 S321L317-R319 PolarHBondContact O-N 3.19Å; R319-S321 PolarHBondContact O-N 3.02Å
320C38.2Very low43.4Very low110 Ų110131.5 Ų131.574%0.74374%0.737SS**  trans-76.5108.4169.3-880000110R318 A322R318-C320 PolarHBondContact O-N 2.97Å; C320-A322 PolarHBondContact O-N 3.37Å; C320-A322 VanDerWaalsContact O-N 3.12Å
321S47.8Very low42.7Very low128 Ų128132.7 Ų132.790%0.89575%0.753SS**  trans-82.452172.3-61.60000112.5R319R319-S321 PolarHBondContact O-N 3.02Å
322A44.3Very low42.4Very low87 Ų87134.9 Ų134.972%0.71975%0.752SS**  trans-146.668.3179.800000111.9C320C320-A322 PolarHBondContact O-N 3.37Å; C320-A322 VanDerWaalsContact O-N 3.12Å
323C43.5Very low42Very low125 Ų125134.7 Ų134.785%0.84575%0.751SS**  trans-162.577.8159.2-132.70000110.1
324L41.8Very low41.2Very low174 Ų174140.6 Ų140.691%0.91178%0.778SS**  trans-168.182.7163-108146.3000107.3
325L42.7Very low40.4Very low167 Ų167144.8 Ų144.887%0.87479%0.79SS**  trans-169.392.3156.4-99.5163.4000105.4
326L34.8Very low39.9Very low167 Ų167152.7 Ų152.787%0.87482%0.815SS**  trans-171.5136.2145.1-97.6155.6000109.3
327T33.6Very low39.3Very low121 Ų121157.6 Ų157.674%0.74284%0.839SS**  trans77.387.3170.775.40000119.1
328V34.8Very low38.9Very low149 Ų149156.7 Ų156.790%0.90384%0.835SS**  trans-127.797135.6-1790000107.6
329T36Very low38.6Very low120 Ų120154.6 Ų154.674%0.73684%0.841SS**  trans-132.1126.9160.240.70000108.7
330L33.1Very low38.4Very low165 Ų165149.5 Ų149.586%0.86484%0.837SS**  trans59.5105.5164.5-79.288.4000118.9
331S34.3Very low38.4Very low122 Ų122152 Ų15285%0.85384%0.842SS**  -175.274.2123.735.50000111.1
332H40.7Very low37.8Very low197 Ų197153.6 Ų153.691%0.91284%0.839SS**  trans-98.892.5149.8-113.4-48.8000106.8
333L38.1Very low37.3Very low147 Ų147158.4 Ų158.477%0.7785%0.847SS**  trans-170.2126.1158.2-104.7152.7000108.4
334L32.7Very low36.8Very low137 Ų137160.9 Ų160.972%0.71785%0.848SS**  trans80.3133.3166.5-49.6152.3000113.1
335K36.1Very low36.4Very low159 Ų159159.8 Ų159.869%0.69184%0.842SS**  cis-177.2147.311.8-122169.1-178.4167.30107.5
336F40.3Very low35.8Very low267 Ų267159.2 Ų159.2100%1.17184%0.839SS**  trans65.70162-67.7-73.9000119.5

Retrieved 336 of 336 residues in 102.4 ms (Link to these results)