A0A096N7J9_PAPAN Loading...

Neurotrimin

AlphaFold DB (A0A2K5QI61), UniProt , Accession A0A096N7J9, Species PAPAN (Papio anubis, Olive baboon), Gene NTM, Length 355 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low33.1Very low249 Ų249151.5 Ų151.5100%1.22783%0.833SS**  098.20-60.3173.9-167.300105.5
2G34.3Very low33Very low78 Ų78156.3 Ų156.380%0.80484%0.84SS**  cis97.785.245.500000107.6
3V33.7Very low33Very low152 Ų152153.4 Ų153.492%0.92184%0.837SS**  trans-124.3122.9156-166.70000107.4
4C29.7Very low32.9Very low104 Ų104153.9 Ų153.970%0.70384%0.837SS**  trans-88.9149.3-171.7-156.30000109.3Y6C4-Y6 VanDerWaalsContact SG-CD2 3.54Å
5G32.1Very low32.9Very low79 Ų79151.4 Ų151.481%0.81483%0.828SS**  trans-165.669.117500000111.2
6Y31.8Very low33.4Very low178 Ų178150.4 Ų150.470%0.69883%0.828SS**  trans-65141.1171.4-85.8-99.3000111.5C4 F8C4-Y6 VanDerWaalsContact SG-CD2 3.54Å; Y6-F8 HydrophobicContact CD1-CD2 4.15Å; Y6-F8 AromaticContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CE1-CE2 4.29Å
7L30Very low33.5Very low182 Ų182148.2 Ų148.295%0.95382%0.82SS**  trans-144.2132.7139-113.6123.8000110.8
8F29.2Very low33.7Very low156 Ų156145.7 Ų145.768%0.68481%0.814SS**  trans-78.3138-167.3-93-114.4000113.7Y6Y6-F8 HydrophobicContact CD1-CD2 4.15Å; Y6-F8 AromaticContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CD1-CE2 3.77Å; Y6-F8 HydrophobicContact CE1-CE2 4.29Å
9L32.6Very low33.6Very low130 Ų130145.9 Ų145.968%0.68181%0.813SS**  40.4149.1126.5-75.9166.1000120.6
10P41.7Very low33.6Very low121 Ų121150.3 Ų150.379%0.78682%0.816SS**  cis-145.6163.346.236.1-13.9000118.5
11W30.7Very low33.6Very low237 Ų237149.6 Ų149.690%0.89881%0.811SS**  trans-67.9136.4166.5-79.4-7.9000112.7
12K31.6Very low33.4Very low210 Ų210145 Ų14591%0.91379%0.79SS**  trans-143.4123.8142-89.3-175.1178.6177.30109.4
13C33.3Very low33.4Very low118 Ų118149 Ų14980%0.79779%0.786SS**  trans-56.2145.9163.9-61.90000110.8
14L31.3Very low33.5Very low161 Ų161149.5 Ų149.584%0.84378%0.783SS**  179.2135.6120-112.892.6000111.1
15V33.4Very low34.1Very low116 Ų116150 Ų15070%0.70378%0.782SS**  trans81.3109.2146.7-174.20000118.9V17V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-V17 PolarHBondContact O-N 3.35Å
16V40Very low34.4Very low135 Ų135152.1 Ų152.182%0.81878%0.781SS**  trans-55.2120.6156.6176.10000110.2
17V35.3Very low35.3Very low114 Ų114150.5 Ų150.569%0.69179%0.79SS**  trans-139107.9147.2-177.40000107.8V15 L19V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-V17 PolarHBondContact O-N 3.35Å; V17-L19 HydrophobicContact CG1-CD1 4.29Å; V17-L19 PolarHBondContact O-N 2.98Å
18S37.3Very low36.4Very low103 Ų103145 Ų14572%0.7278%0.778SS**  trans-69.7107.6169.555.20000109.8
19L32.7Very low37.1Very low150 Ų150143.6 Ų143.679%0.78578%0.782SS**  trans-10194.3164.5-130.381.5000108.5V17 L21V17-L19 HydrophobicContact CG1-CD1 4.29Å; V17-L19 PolarHBondContact O-N 2.98Å; L19-L21 PolarHBondContact O-N 2.97Å
20R32.2Very low37.5Very low232 Ų232142.6 Ų142.688%0.87578%0.783SS**  trans-73.4105.3166.5-76.5-167.1179.4-157.91.5108L22R20-L22 PolarHBondContact O-N 3.3Å; R20-L22 VanDerWaalsContact O-N 3.1Å
21L34.4Very low37.8Very low136 Ų136142.9 Ų142.971%0.71278%0.783SS**  trans-68.9100.4159.3-97.5141.4000107.7L19 F23L19-L21 PolarHBondContact O-N 2.97Å; L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.33Å; L21-F23 HydrophobicContact CB-CE2 4.23Å; L21-F23 HydrophobicContact CD2-CE2 3.96Å; L21-F23 HydrophobicContact CD2-CZ 4.34Å; L21-F23 PolarHBondContact O-N 2.96Å
22L34.4Very low38.6Very low152 Ų152141.1 Ų141.180%0.79678%0.776SS**  trans-66.788.7165.8-91.2148.2000108.3R20 L24R20-L22 PolarHBondContact O-N 3.3Å; R20-L22 VanDerWaalsContact O-N 3.1Å; L22-L24 PolarHBondContact O-N 3.29Å
23F34.3Very low39.5Very low164 Ų164136.5 Ų136.572%0.71977%0.77SS**  trans-79.7110.6150.7-74.6-79.9000106.8L21 V25L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.33Å; L21-F23 HydrophobicContact CB-CE2 4.23Å; L21-F23 HydrophobicContact CD2-CE2 3.96Å; L21-F23 HydrophobicContact CD2-CZ 4.34Å; L21-F23 PolarHBondContact O-N 2.96Å; F23-V25 PolarHBondContact O-N 2.81Å
24L35.7Very low40.6Very low161 Ų161132.8 Ų132.884%0.84375%0.751SS**  trans-61.189.3164.2-78.3158.3000107.6L22 P26L22-L24 PolarHBondContact O-N 3.29Å; L24-P26 WeakPolarHBondContact O-CD 3.32Å
25V42.4Very low42.3Very low115 Ų115127.8 Ų127.870%0.69773%0.726SS**  trans-71.5123.1157.8-175.80000105.2F23 T27F23-V25 PolarHBondContact O-N 2.81Å; V25-T27 PolarHBondContact O-N 3.46Å
26P38.5Very low44.2Very low123 Ų123122.8 Ų122.880%0.79970%0.697SS**  trans-58.9108.1171.2-16.429.2000107.8L24 G28L24-P26 WeakPolarHBondContact O-CD 3.32Å; P26-G28 PolarHBondContact O-N 3.45Å
27T50.5Low46.1Very low144 Ų144119.4 Ų119.488%0.88368%0.676SS**  trans-66.4114.916746.40000107.5V25V25-T27 PolarHBondContact O-N 3.46Å
28G53.4Low48.5Very low68 Ų68116 Ų11670%0.70165%0.652SS**  trans124.264.3166.500000114.9P26P26-G28 PolarHBondContact O-N 3.45Å
29V42.7Very low50.9Low126 Ų126115 Ų11576%0.76464%0.644SS**  trans-114.5112.7133.6-176.50000105.4V31V29-V31 PolarHBondContact O-N 2.68Å
30P42.5Very low53.5Low109 Ų109113.7 Ų113.771%0.70863%0.631SS**  trans-64.1106.4166.426.7-28.2000105.8R32P30-R32 VanDerWaalsContact C-N 3.32Å; P30-R32 PolarHBondContact O-N 3.4Å
31V46.7Very low56.1Low127 Ų127106.2 Ų106.277%0.7762%0.619SS**  trans-55.8109159.9176.30000104.2V29 S33V29-V31 PolarHBondContact O-N 2.68Å; V31-S33 PolarHBondContact O-N 2.83Å
32R48.9Very low58.9Low199 Ų199101 Ų10175%0.75159%0.592SS**  trans-67.376.8173.1-85.7-179.2160.4-159.2-2.5107.1P30 G34 R62P30-R32 VanDerWaalsContact C-N 3.32Å; P30-R32 PolarHBondContact O-N 3.4Å; R32-G34 PolarHBondContact O-N 2.99Å; R32-R62 PolarHBondContact O-NH1 2.75Å; R32-R62 VanDerWaalsContact O-NH1 3.08Å
33S48.9Very low61.7Low114 Ų11498.9 Ų98.980%0.79758%0.581SS**  trans-73.860.3170.8174.60000109.1V31V31-S33 PolarHBondContact O-N 2.83Å
34G56.9Low64.7Low39 Ų3995.5 Ų95.540%0.40257%0.57SS.*  trans-101107.4164.500000106.2R32 R62R32-G34 PolarHBondContact O-N 2.99Å; G34-R62 PolarHBondContact O-NH1 2.85Å
35D67.9Low67.6Low57 Ų5789.3 Ų89.331%0.30554%0.54SS..  trans-56.6135176.5-172.421.2000109.7T37 T119 K124D35-T37 WeakPolarHBondContact O-CG2 3.46Å; D35-T37 PolarHBondContact O-N 2.56Å; D35-T119 WeakPolarHBondContact OD1-CB 3.42Å; D35-T119 PolarHBondContact OD1-OG1 2.89Å; D35-K124 IonicContact OD1-NZ 2.73Å; D35-K124 WeakPolarHBondContact OD2-CE 3.42Å; D35-K124 IonicContact OD2-NZ 2.82Å; D35-K124 PolarHBondContact OD2-NZ 2.89Å
36A72.8Confident70.3Confident11 Ų1187.3 Ų87.39%0.09153%0.528CS..  trans-56.3137.8-173.600000110.9V63 T119 K124A36-V63 HydrophobicContact CB-CG2 3.85Å; A36-T119 HydrophobicContact CB-CG2 4.3Å; A36-K124 VanDerWaalsContact O-CD 3.27Å; A36-K124 WeakPolarHBondContact O-CD 3.49Å; A36-K124 WeakPolarHBondContact O-CE 3.37Å; A36-K124 PolarHBondContact O-NZ 3.42Å
37T79.9Confident73.1Confident64 Ų6482 Ų8239%0.39349%0.493SS..  trans-135.4167.7-175.449.60000112D35 P39 D60D35-T37 WeakPolarHBondContact O-CG2 3.46Å; D35-T37 PolarHBondContact O-N 2.56Å; T37-P39 WeakPolarHBondContact O-CD 3.48Å; T37-D60 WeakPolarHBondContact O-CB 3.35Å; T37-D60 PolarHBondContact O-N 3.35Å
38F86.5Confident75.3Confident41 Ų4179 Ų7918%0.1847%0.465CS..  trans-86118.8165.5-62.7-75.9000108.9K40 C57 I59 C115 V117 K124 S126F38-K40 PolarHBondContact O-N 3.11Å; F38-C57 VanDerWaalsContact CE1-SG 3.52Å; F38-I59 HydrophobicContact CD1-CG2 4.47Å; F38-I59 HydrophobicContact CE1-CG2 4.23Å; F38-C115 HydrophobicContact CE1-CB 4.44Å; F38-C115 WeakPolarHBondContact CZ-O 3.16Å; F38-V117 HydrophobicContact CE1-CG1 3.82Å; F38-V117 HydrophobicContact CE1-CG2 4.32Å; F38-V117 HydrophobicContact CE2-CG2 4.01Å; F38-V117 HydrophobicContact CZ-CB 4.34Å; F38-V117 HydrophobicContact CZ-CG1 3.85Å; F38-V117 HydrophobicContact CZ-CG2 3.72Å; F38-K124 HydrophobicContact CE2-CB 4.04Å; F38-K124 WeakPolarHBondContact CE2-O 3.4Å; F38-S126 VanDerWaalsContact CE2-N 3.33Å
39P86.4Confident77.4Confident84 Ų8479.4 Ų79.455%0.54545%0.449SS..SBendtrans-64.9-29.5178.5-23.335000113.1T37 T58T37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-T58 HydrophobicContact CB-CG2 4.49Å; P39-T58 WeakPolarHBondContact CD-O 3.35Å; P39-T58 HydrophobicContact CG-CG2 4.24Å
40K87.2Confident80Confident121 Ų12175.4 Ų75.453%0.52643%0.433SS..SBendtrans-138.9138.8-179.9-164.5-163.5164.3-167.90109.9F38 D43F38-K40 PolarHBondContact O-N 3.11Å; K40-D43 IonicContact NZ-OD2 3.93Å; K40-D43 PolarHBondContact NZ-OD2 3.14Å
41A87.6Confident82.6Confident76 Ų7675.1 Ų75.163%0.62842%0.422SS*.PPolyproline II helixtrans-64.6149.4166.300000110.5
42M93.4Very high85.1Confident27 Ų2771.8 Ų71.813%0.13340%0.404CS..PPolyproline II helixtrans-84.7133.2178.6-63.8-176.664.900110.3R56 C57 W68 C115 V128M42-R56 WeakPolarHBondContact CE-O 3.23Å; M42-C57 HydrophobicContact SD-CB 4.15Å; M42-W68 HydrophobicContact CE-CH2 3.41Å; M42-W68 VanDerWaalsContact CE-CH2 3.41Å; M42-W68 HydrophobicContact CE-CZ2 3.84Å; M42-W68 HydrophobicContact SD-CH2 3.82Å; M42-W68 HydrophobicContact SD-CZ2 4.33Å; M42-C115 HydrophobicContact SD-CB 4.3Å; M42-V128 HydrophobicContact CB-CB 4.02Å; M42-V128 HydrophobicContact CE-CB 3.71Å; M42-V128 HydrophobicContact CE-CG1 3.68Å; M42-V128 HydrophobicContact CE-CG2 4.3Å; M42-V128 HydrophobicContact SD-CB 4.33Å; M42-V128 HydrophobicContact SD-CG1 4.46Å
43D93.5Very high87.4Confident107 Ų10762.3 Ų62.357%0.57237%0.369SS*.PPolyproline II helixtrans-81.9147.5172.6-58-56.9000109.4K40 V128K40-D43 IonicContact NZ-OD2 3.93Å; K40-D43 PolarHBondContact NZ-OD2 3.14Å; D43-V128 WeakPolarHBondContact O-CG2 3.47Å
44N96.5Very high89.7Confident92 Ų9258.9 Ų58.949%0.49234%0.343SS..PPolyproline II helixtrans-59.1146.4175.3-69.2-15.4000110.9H129 I131N44-H129 WeakPolarHBondContact CA-O 3.33Å; N44-H129 WeakPolarHBondContact OD1-CB 3.42Å; N44-H129 PolarHBondContact OD1-N 3.03Å; N44-I131 HydrophobicContact CB-CD1 4.24Å
45V97.5Very high91.6Very high32 Ų3257 Ų5719%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-109.9118.6179.8176.10000108.1A53 L55 V128 H129 L130 I131V45-A53 HydrophobicContact CG1-CB 4.36Å; V45-L55 HydrophobicContact CB-CD2 4.11Å; V45-L55 HydrophobicContact CG1-CD2 4.38Å; V45-L55 HydrophobicContact CG2-CD2 3.99Å; V45-V128 HydrophobicContact CG2-CG2 3.95Å; V45-H129 PolarHBondContact N-O 3.21Å; V45-L130 HydrophobicContact CB-CD1 4.28Å; V45-L130 HydrophobicContact CG1-CD1 4.03Å; V45-L130 CarbonylContact O-C 3.53Å; V45-L130 WeakPolarHBondContact O-CA 3.2Å; V45-I131 PolarHBondContact O-N 3.46Å
46T97.4Very high93Very high73 Ų7362.3 Ų62.345%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-103130.6173-54.30000109.1I131 Q133T46-I131 WeakPolarHBondContact CA-O 3.49Å; T46-I131 HydrophobicContact CG2-CB 4.42Å; T46-I131 HydrophobicContact CG2-CG2 4.31Å; T46-Q133 HydrophobicContact CG2-CG 3.65Å
47V97.6Very high94Very high10 Ų1061.8 Ų61.86%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-139.5148.6-17871.30000110.1E51 A53 V105 L130 I131 V132 Q133V47-E51 HydrophobicContact CG2-CB 3.82Å; V47-A53 HydrophobicContact CB-CB 4.22Å; V47-A53 HydrophobicContact CG1-CB 4.07Å; V47-A53 HydrophobicContact CG2-CB 4.29Å; V47-V105 HydrophobicContact CG1-CB 4.12Å; V47-V105 HydrophobicContact CG1-CG1 3.73Å; V47-V105 HydrophobicContact CG1-CG2 4.17Å; V47-L130 HydrophobicContact CB-CD1 4.49Å; V47-L130 HydrophobicContact CG1-CD1 3.73Å; V47-I131 PolarHBondContact N-O 2.93Å; V47-V132 HydrophobicContact CG1-CG2 4.41Å; V47-Q133 PolarHBondContact O-N 2.87Å
48R97.6Very high94.7Very high83 Ų8361.7 Ų61.731%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-80141.8171-172.5-171.9-92.9164.1-6.6110.2G50 E51 Q133 S135 V207 A208R48-G50 PolarHBondContact O-N 3.46Å; R48-E51 HydrophobicContact CB-CG 4.28Å; R48-E51 WeakPolarHBondContact O-CB 3.47Å; R48-E51 PolarHBondContact O-N 2.79Å; R48-Q133 CarbonylContact C-O 3.59Å; R48-Q133 WeakPolarHBondContact CA-O 3.43Å; R48-S135 PolarHBondContact NE-OG 2.84Å; R48-V207 HydrophobicContact CG-CG1 4.2Å; R48-V207 PolarHBondContact NH2-O 2.67Å; R48-A208 VanDerWaalsContact NH2-CA 3.25Å
49Q97.8Very high95Very high76 Ų7660 Ų6036%0.35533%0.327SS..THydrogen-bonded Turntrans-51133.8173-170.4-174.919.800111E51 V105 D106 V132 Q133 V134Q49-E51 VanDerWaalsContact C-N 3.33Å; Q49-V105 CarbonylContact C-O 3.57Å; Q49-V105 WeakPolarHBondContact CA-O 3.34Å; Q49-V105 WeakPolarHBondContact CG-O 3.38Å; Q49-D106 PolarHBondContact NE2-OD2 2.97Å; Q49-V132 HydrophobicContact CB-CG1 4.18Å; Q49-Q133 PolarHBondContact N-O 2.81Å; Q49-V134 HydrophobicContact CB-CG2 4.25Å
50G96.7Very high95.1Very high41 Ų4157.7 Ų57.742%0.42331%0.311SS..THydrogen-bonded Turntrans89.1-15.6-177.200000114.8R48 V105R48-G50 PolarHBondContact O-N 3.46Å; G50-V105 PolarHBondContact N-O 2.89Å
51E97.4Very high95Very high103 Ų10356.8 Ų56.848%0.48131%0.311SS..SBendtrans-85174173.7-62.9-177.3172.800111.5V47 R48 Q49 N104 V105V47-E51 HydrophobicContact CG2-CB 3.82Å; R48-E51 HydrophobicContact CB-CG 4.28Å; R48-E51 WeakPolarHBondContact O-CB 3.47Å; R48-E51 PolarHBondContact O-N 2.79Å; Q49-E51 VanDerWaalsContact C-N 3.33Å; E51-N104 PolarHBondContact O-N 2.96Å; E51-V105 WeakPolarHBondContact O-CB 3.15Å; E51-V105 VanDerWaalsContact O-CG2 3.25Å; E51-V105 WeakPolarHBondContact O-CG2 3.39Å; E51-V105 PolarHBondContact O-N 3.28Å
52S97.9Very high94.8Very high57 Ų5757.7 Ų57.740%0.39930%0.299SS..PPolyproline II helixtrans-94.8130.9176.4-63.40000111.4E101 I102S52-E101 VanDerWaalsContact CB-OE1 3.27Å; S52-E101 WeakPolarHBondContact CB-OE1 3.49Å; S52-I102 CarbonylContact C-O 3.49Å; S52-I102 VanDerWaalsContact CA-O 3.28Å; S52-I102 WeakPolarHBondContact CA-O 3.44Å
53A98Very high94.3Very high1 Ų157.4 Ų57.41%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-98.9127.2173.300000111.3V45 V47 E101 I102 V105 L130V45-A53 HydrophobicContact CG1-CB 4.36Å; V47-A53 HydrophobicContact CB-CB 4.22Å; V47-A53 HydrophobicContact CG1-CB 4.07Å; V47-A53 HydrophobicContact CG2-CB 4.29Å; A53-E101 CarbonylContact O-C 3.52Å; A53-E101 VanDerWaalsContact O-CA 3.24Å; A53-E101 WeakPolarHBondContact O-CA 3.41Å; A53-I102 PolarHBondContact N-O 3.02Å; A53-I102 PolarHBondContact O-N 3.18Å; A53-V105 HydrophobicContact CB-CG2 3.73Å; A53-L130 HydrophobicContact CB-CD1 3.57Å; A53-L130 HydrophobicContact CB-CD2 4.32Å
54T97.8Very high93.8Very high42 Ų4258.2 Ų58.226%0.25831%0.308SS..EExtended strand (participates in β ladder)trans-101.2117174.4-670000110.7R56 L91T54-R56 HydrophobicContact CG2-CG 3.66Å; T54-L91 HydrophobicContact CG2-CD1 3.6Å
55L97.4Very high93.5Very high0 Ų062.6 Ų62.60%032%0.317CS..EExtended strand (participates in β ladder)trans-99.3108.4176.3-50.1-173.9000109.8V45 W68 S99 I100 I102 Y113 V128V45-L55 HydrophobicContact CB-CD2 4.11Å; V45-L55 HydrophobicContact CG1-CD2 4.38Å; V45-L55 HydrophobicContact CG2-CD2 3.99Å; L55-W68 HydrophobicContact CB-CH2 3.83Å; L55-W68 HydrophobicContact CB-CZ2 3.88Å; L55-W68 HydrophobicContact CB-CZ3 4.48Å; L55-W68 HydrophobicContact CD1-CZ3 4.39Å; L55-S99 VanDerWaalsContact O-CA 3.26Å; L55-S99 WeakPolarHBondContact O-CA 3.2Å; L55-S99 WeakPolarHBondContact O-CB 3.27Å; L55-I100 HydrophobicContact CB-CG1 4.02Å; L55-I100 HydrophobicContact CD1-CD1 4.16Å; L55-I100 HydrophobicContact CD1-CG1 4.27Å; L55-I100 HydrophobicContact CG-CG1 4.39Å; L55-I100 PolarHBondContact N-O 2.92Å; L55-I100 PolarHBondContact O-N 2.9Å; L55-I100 VanDerWaalsContact O-N 3.16Å; L55-I102 HydrophobicContact CD1-CD1 4.21Å; L55-Y113 HydrophobicContact CD1-CD1 3.73Å; L55-Y113 HydrophobicContact CD1-CD2 3.89Å; L55-Y113 HydrophobicContact CD1-CE1 4.36Å; L55-Y113 HydrophobicContact CD1-CG 3.47Å; L55-Y113 VanDerWaalsContact CD1-CG 3.47Å; L55-V128 HydrophobicContact CB-CG1 4.44Å; L55-V128 HydrophobicContact CD1-CG1 4.3Å; L55-V128 HydrophobicContact CD2-CG1 4.26Å
56R95.9Very high93.4Very high167 Ų16761.7 Ų61.763%0.6331%0.312SS*.EExtended strand (participates in β ladder)trans-99.9110.2-172.6-58-171.9-176.5-162.20.5112.8M42 T54 S99M42-R56 WeakPolarHBondContact CE-O 3.23Å; T54-R56 HydrophobicContact CG2-CG 3.66Å; R56-S99 WeakPolarHBondContact CA-OG 3.42Å
57C94.8Very high93.3Very high0 Ų059 Ų590%030%0.297CS..EExtended strand (participates in β ladder)trans-99.5118170.6-168.60000110.5F38 M42 W68 Q97 Y98 C115F38-C57 VanDerWaalsContact CE1-SG 3.52Å; M42-C57 HydrophobicContact SD-CB 4.15Å; C57-W68 HydrophobicContact CB-CZ2 3.7Å; C57-Q97 WeakPolarHBondContact O-CA 3Å; C57-Y98 WeakPolarHBondContact CB-O 3.37Å; C57-Y98 PolarHBondContact N-O 2.8Å; C57-Y98 PolarHBondContact O-N 3.09Å; C57-C115 HydrophobicContact CB-CB 3.64Å; C57-C115 WeakPolarHBondContact CB-SG 3.4Å; C57-C115 WeakPolarHBondContact SG-CB 3.38Å; C57-C115 CovalentContact SG-SG 2.04Å; C57-C115 PolarHBondContact SG-SG 2.69Å
58T94.1Very high93.3Very high62 Ų6258.6 Ų58.638%0.3829%0.294SS..EExtended strand (participates in β ladder)trans-90.4127.2169.7-56.90000108.7P39P39-T58 HydrophobicContact CB-CG2 4.49Å; P39-T58 WeakPolarHBondContact CD-O 3.35Å; P39-T58 HydrophobicContact CG-CG2 4.24Å
59I92.1Very high93.3Very high6 Ų656.3 Ų56.33%0.03129%0.288CS..  trans-122.6152.6-174.257.7172.9000110.9F38 V63 T96 V117F38-I59 HydrophobicContact CD1-CG2 4.47Å; F38-I59 HydrophobicContact CE1-CG2 4.23Å; I59-V63 HydrophobicContact CB-CB 4.4Å; I59-V63 HydrophobicContact CB-CG2 4.15Å; I59-V63 HydrophobicContact CD1-CB 4.19Å; I59-V63 HydrophobicContact CD1-CG1 4.07Å; I59-T96 PolarHBondContact N-O 2.83Å; I59-T96 WeakPolarHBondContact O-CA 3.45Å; I59-V117 HydrophobicContact CG2-CG1 3.84Å
60D89.3Confident93.2Very high36 Ų3654.6 Ų54.619%0.19328%0.281CS..  trans-69.1147.8171.7-179.2-100.1000111.1T37 R62 V63T37-D60 WeakPolarHBondContact O-CB 3.35Å; T37-D60 PolarHBondContact O-N 3.35Å; D60-R62 PolarHBondContact O-N 3.23Å; D60-R62 WeakPolarHBondContact OD1-CB 3.2Å; D60-R62 WeakPolarHBondContact OD1-CD 3.41Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 PolarHBondContact OD1-N 2.93Å; D60-R62 IonicContact OD1-NE 3.89Å; D60-V63 HydrophobicContact CB-CG2 4.47Å; D60-V63 WeakPolarHBondContact O-CB 3.11Å; D60-V63 WeakPolarHBondContact O-CG2 3.44Å; D60-V63 PolarHBondContact O-N 2.88Å
61N85Confident92.7Very high101 Ų10161.9 Ų61.954%0.5430%0.296SS..THydrogen-bonded Turntrans-67.8-7.1-175.470.3-8.8000115Q95N61-Q95 VanDerWaalsContact CA-O 3.31Å; N61-Q95 WeakPolarHBondContact CA-O 3.34Å
62R83.3Confident92.2Very high95 Ų9562.6 Ų62.636%0.35831%0.312SS..THydrogen-bonded Turntrans-89.7-6.7174.3-55.2171-164.7-174.64.9112.9R32 G34 D60 T64R32-R62 PolarHBondContact O-NH1 2.75Å; R32-R62 VanDerWaalsContact O-NH1 3.08Å; G34-R62 PolarHBondContact O-NH1 2.85Å; D60-R62 PolarHBondContact O-N 3.23Å; D60-R62 WeakPolarHBondContact OD1-CB 3.2Å; D60-R62 WeakPolarHBondContact OD1-CD 3.41Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 PolarHBondContact OD1-N 2.93Å; D60-R62 IonicContact OD1-NE 3.89Å; R62-T64 PolarHBondContact O-N 3.35Å
63V83.8Confident92Very high22 Ų2263.9 Ų63.913%0.13332%0.318CS..  trans-67.5119.8178.8172.90000109.7A36 I59 D60 V66 V117A36-V63 HydrophobicContact CB-CG2 3.85Å; I59-V63 HydrophobicContact CB-CB 4.4Å; I59-V63 HydrophobicContact CB-CG2 4.15Å; I59-V63 HydrophobicContact CD1-CB 4.19Å; I59-V63 HydrophobicContact CD1-CG1 4.07Å; D60-V63 HydrophobicContact CB-CG2 4.47Å; D60-V63 WeakPolarHBondContact O-CB 3.11Å; D60-V63 WeakPolarHBondContact O-CG2 3.44Å; D60-V63 PolarHBondContact O-N 2.88Å; V63-V66 HydrophobicContact CG1-CB 4.11Å; V63-V117 HydrophobicContact CG1-CB 3.92Å; V63-V117 HydrophobicContact CG1-CG1 3.71Å; V63-V117 HydrophobicContact CG2-CB 4.03Å; V63-V117 HydrophobicContact CG2-CG1 3.97Å; V63-V117 HydrophobicContact CG2-CG2 4.41Å
64T82.6Confident91.9Very high124 Ų12467.3 Ų67.376%0.76134%0.335SS*.  trans-102.9-24.2179.355.60000113.2R62R62-T64 PolarHBondContact O-N 3.35Å
65R90Very high91.9Very high184 Ų18465.7 Ų65.769%0.69433%0.325SS*.  trans-136.4127.5178.7-57.7179.8-179.9-177.1-0.8109.6V117 Q118R65-V117 WeakPolarHBondContact O-CA 3.5Å; R65-Q118 HydrophobicContact CB-CB 3.85Å; R65-Q118 PolarHBondContact O-N 3.07Å
66V94.2Very high91.9Very high13 Ų1366.8 Ų66.88%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-138.9145.8-178.662.40000109.5V63 A77 G78 Y98 S116 V117V63-V66 HydrophobicContact CG1-CB 4.11Å; V66-A77 WeakPolarHBondContact O-CA 2.94Å; V66-G78 PolarHBondContact O-N 2.79Å; V66-Y98 HydrophobicContact CB-CD1 4.11Å; V66-Y98 HydrophobicContact CB-CE1 4.29Å; V66-Y98 HydrophobicContact CB-CG 4.29Å; V66-Y98 HydrophobicContact CG1-CD1 3.72Å; V66-Y98 HydrophobicContact CG1-CD2 3.54Å; V66-Y98 HydrophobicContact CG1-CE1 3.82Å; V66-Y98 HydrophobicContact CG1-CE2 3.7Å; V66-Y98 HydrophobicContact CG1-CG 3.55Å; V66-Y98 HydrophobicContact CG2-CD1 3.27Å; V66-Y98 HydrophobicContact CG2-CE1 3.72Å; V66-Y98 HydrophobicContact CG2-CG 3.74Å; V66-S116 CarbonylContact C-O 3.59Å; V66-S116 VanDerWaalsContact CA-O 3.31Å; V66-S116 WeakPolarHBondContact CA-O 3.3Å; V66-V117 HydrophobicContact CB-CG1 4.29Å; V66-V117 HydrophobicContact CG2-CG1 3.87Å
67A96.3Very high91.9Very high17 Ų1760.2 Ų60.214%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-141.3146.3176.300000111.3L69 Y76 A77 S116A67-L69 HydrophobicContact CB-CD1 4.13Å; A67-Y76 CarbonylContact C-O 3.47Å; A67-Y76 WeakPolarHBondContact CA-O 3.44Å; A67-Y76 WeakPolarHBondContact CB-O 3.32Å; A67-A77 HydrophobicContact CB-CB 4.15Å; A67-S116 PolarHBondContact N-O 3.18Å; A67-S116 PolarHBondContact O-N 3.2Å
68W97.6Very high91.9Very high0 Ų061.3 Ų61.30%032%0.322CS..EExtended strand (participates in β ladder)trans-98.4134.2166.5-92.2110.3000109.3M42 L55 C57 L75 Y76 Y98 I100 T114 C115 V128M42-W68 HydrophobicContact CE-CH2 3.41Å; M42-W68 VanDerWaalsContact CE-CH2 3.41Å; M42-W68 HydrophobicContact CE-CZ2 3.84Å; M42-W68 HydrophobicContact SD-CH2 3.82Å; M42-W68 HydrophobicContact SD-CZ2 4.33Å; L55-W68 HydrophobicContact CB-CH2 3.83Å; L55-W68 HydrophobicContact CB-CZ2 3.88Å; L55-W68 HydrophobicContact CB-CZ3 4.48Å; L55-W68 HydrophobicContact CD1-CZ3 4.39Å; C57-W68 HydrophobicContact CB-CZ2 3.7Å; W68-L75 HydrophobicContact CB-CB 4.23Å; W68-L75 PolarHBondContact O-N 2.78Å; W68-Y76 PolarHBondContact N-O 2.89Å; W68-Y76 PolarHBondContact O-N 3.36Å; W68-Y98 HydrophobicContact CB-CE1 4.39Å; W68-Y98 AromaticContact CD1-CD1 3.34Å; W68-Y98 AromaticContact CD1-CE1 3.21Å; W68-Y98 HydrophobicContact CG-CD1 4.33Å; W68-Y98 HydrophobicContact CG-CE1 4.02Å; W68-Y98 AromaticContact NE1-CD1 3.53Å; W68-Y98 AromaticContact NE1-CE1 3.92Å; W68-Y98 PolarHBondContact NE1-O 2.91Å; W68-I100 HydrophobicContact CB-CD1 3.96Å; W68-I100 HydrophobicContact CB-CG2 4.39Å; W68-I100 VanDerWaalsContact CD1-CG2 3.43Å; W68-I100 HydrophobicContact CD2-CD1 3.91Å; W68-I100 HydrophobicContact CD2-CG1 4.02Å; W68-I100 HydrophobicContact CE3-CD1 4.31Å; W68-I100 HydrophobicContact CG-CD1 3.75Å; W68-I100 HydrophobicContact CG-CG1 3.96Å; W68-I100 HydrophobicContact CG-CG2 4Å; W68-T114 CarbonylContact C-O 3.59Å; W68-T114 WeakPolarHBondContact CA-O 3.33Å; W68-T114 VanDerWaalsContact CE3-C 3.47Å; W68-C115 HydrophobicContact CD2-CB 4.28Å; W68-C115 HydrophobicContact CE3-CB 4.23Å; W68-C115 HydrophobicContact CH2-CB 3.93Å; W68-C115 HydrophobicContact CZ2-CB 3.98Å; W68-C115 HydrophobicContact CZ3-CB 4.04Å; W68-V128 HydrophobicContact CH2-CG1 3.8Å; W68-V128 HydrophobicContact CZ3-CG1 3.98Å
69L96.8Very high92Very high36 Ų3663.8 Ų63.819%0.18833%0.333CS..EExtended strand (participates in β ladder)trans-127.6141.9179.6-57.690.9000110.5A67 T73 I74 Y113 T114A67-L69 HydrophobicContact CB-CD1 4.13Å; L69-T73 CarbonylContact C-O 3.5Å; L69-T73 WeakPolarHBondContact CA-O 3.46Å; L69-T73 WeakPolarHBondContact CB-O 3.32Å; L69-I74 HydrophobicContact CD2-CG1 4.24Å; L69-I74 HydrophobicContact CG-CG1 4.41Å; L69-Y113 WeakPolarHBondContact O-CA 3.42Å; L69-T114 PolarHBondContact N-O 3.04Å; L69-T114 PolarHBondContact O-N 2.79Å
70N95.7Very high92.2Very high39 Ų3968.6 Ų68.621%0.20936%0.359CS..EExtended strand (participates in β ladder)trans-110117.1162.7-178.3-4.9000107.6S72 T73 L75 Y113N70-S72 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact N-O 2.9Å; N70-T73 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact O-OG1 2.85Å; N70-L75 HydrophobicContact CB-CD1 4.09Å; N70-L75 HydrophobicContact CB-CD2 3.91Å; N70-L75 HydrophobicContact CB-CG 4.13Å; N70-Y113 HydrophobicContact CB-CD1 4.01Å; N70-Y113 HydrophobicContact CB-CE1 3.82Å
71R87.4Confident92.6Very high195 Ų19570.7 Ų70.774%0.73637%0.366SS*.THydrogen-bonded Turntrans52.9-104.4-170.4-60.1169.3-176.3-109.50.3111
72S86.4Confident93.2Very high117 Ų11773.7 Ų73.782%0.81837%0.37SS*.THydrogen-bonded Turntrans-112-0.1178.3-53.90000113.3N70N70-S72 PolarHBondContact O-N 2.89Å
73T93.4Very high93.7Very high85 Ų8570.2 Ų70.252%0.52136%0.36SS..EExtended strand (participates in β ladder)trans-93.1135-179.461.80000110.4L69 N70L69-T73 CarbonylContact C-O 3.5Å; L69-T73 WeakPolarHBondContact CA-O 3.46Å; L69-T73 WeakPolarHBondContact CB-O 3.32Å; N70-T73 PolarHBondContact N-O 2.9Å; N70-T73 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact O-OG1 2.85Å
74I96.1Very high94.3Very high72 Ų7277.6 Ų77.637%0.36940%0.398SS..EExtended strand (participates in β ladder)trans-80.4125.4173.9-58.4174.1000107.6L69 A77 W82 C83L69-I74 HydrophobicContact CD2-CG1 4.24Å; L69-I74 HydrophobicContact CG-CG1 4.41Å; I74-A77 HydrophobicContact CG2-CB 4.2Å; I74-W82 HydrophobicContact CB-CB 4.09Å; I74-W82 HydrophobicContact CB-CG 4.36Å; I74-W82 HydrophobicContact CG2-CB 3.92Å; I74-W82 HydrophobicContact CG2-CG 3.88Å; I74-W82 VanDerWaalsContact O-CB 3.29Å; I74-W82 WeakPolarHBondContact O-CB 3.41Å; I74-C83 PolarHBondContact O-N 3.37Å
75L97.4Very high94.9Very high9 Ų973.8 Ų73.85%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-85.9-52.4172.9-57.8-178.6000110.2W68 N70 W82 C83 V88 I100 Y113W68-L75 HydrophobicContact CB-CB 4.23Å; W68-L75 PolarHBondContact O-N 2.78Å; N70-L75 HydrophobicContact CB-CD1 4.09Å; N70-L75 HydrophobicContact CB-CD2 3.91Å; N70-L75 HydrophobicContact CB-CG 4.13Å; L75-W82 PolarHBondContact O-N 3.08Å; L75-C83 HydrophobicContact CD2-CB 3.81Å; L75-C83 PolarHBondContact O-N 2.82Å; L75-V88 HydrophobicContact CB-CG1 4.45Å; L75-V88 HydrophobicContact CD1-CG1 4.38Å; L75-I100 HydrophobicContact CD1-CD1 3.65Å; L75-Y113 HydrophobicContact CD1-CD1 3.78Å; L75-Y113 HydrophobicContact CD1-CE1 3.89Å
76Y98.1Very high95.2Very high22 Ų2270 Ų709%0.08637%0.372CS..EExtended strand (participates in β ladder)trans-141145.9177.9-85.8-91.4000110A67 W68 D80 K81 V88 L90 Y98 I100A67-Y76 CarbonylContact C-O 3.47Å; A67-Y76 WeakPolarHBondContact CA-O 3.44Å; A67-Y76 WeakPolarHBondContact CB-O 3.32Å; W68-Y76 PolarHBondContact N-O 2.89Å; W68-Y76 PolarHBondContact O-N 3.36Å; Y76-D80 CarbonylContact C-O 3.53Å; Y76-D80 VanDerWaalsContact CA-O 3.27Å; Y76-D80 WeakPolarHBondContact CA-O 3.01Å; Y76-D80 WeakPolarHBondContact CD1-O 3.32Å; Y76-K81 HydrophobicContact CD1-CB 4.05Å; Y76-K81 HydrophobicContact CD2-CG 4.41Å; Y76-K81 HydrophobicContact CE1-CB 3.49Å; Y76-K81 VanDerWaalsContact CE1-CB 3.49Å; Y76-K81 HydrophobicContact CE1-CG 4Å; Y76-K81 HydrophobicContact CE2-CB 4.28Å; Y76-K81 HydrophobicContact CE2-CD 4.19Å; Y76-K81 HydrophobicContact CE2-CG 3.83Å; Y76-K81 WeakPolarHBondContact OH-CD 3.48Å; Y76-V88 HydrophobicContact CD2-CG1 4.28Å; Y76-V88 HydrophobicContact CE2-CG1 4.04Å; Y76-V88 PolarHBondContact OH-O 3.46Å; Y76-L90 HydrophobicContact CD1-CB 4.05Å; Y76-L90 HydrophobicContact CD1-CD2 4.36Å; Y76-L90 HydrophobicContact CE1-CB 3.63Å; Y76-L90 HydrophobicContact CE1-CD2 4.42Å; Y76-L90 HydrophobicContact CE2-CB 4.35Å; Y76-L90 PolarHBondContact OH-N 2.88Å; Y76-Y98 VanDerWaalsContact CB-OH 3.31Å; Y76-Y98 WeakPolarHBondContact CB-OH 3.39Å; Y76-I100 HydrophobicContact CD2-CG2 3.99Å; Y76-I100 HydrophobicContact CG-CG2 4.49Å
77A96.2Very high95.4Very high29 Ų2972 Ų7224%0.2438%0.378CS..EExtended strand (participates in β ladder)trans-132.4113.3167.200000108.4V66 A67 I74 N79 D80V66-A77 WeakPolarHBondContact O-CA 2.94Å; A67-A77 HydrophobicContact CB-CB 4.15Å; I74-A77 HydrophobicContact CG2-CB 4.2Å; A77-N79 PolarHBondContact O-N 2.92Å; A77-D80 PolarHBondContact N-O 2.8Å; A77-D80 PolarHBondContact O-N 2.75Å
78G94.5Very high95.5Very high23 Ų2371.4 Ų71.424%0.23737%0.373CS..THydrogen-bonded Turntrans56.1-122.9-16500000110.7V66 Y98V66-G78 PolarHBondContact O-N 2.79Å; G78-Y98 PolarHBondContact N-OH 2.8Å; G78-Y98 VanDerWaalsContact O-CE2 3.29Å; G78-Y98 WeakPolarHBondContact O-CE2 3.42Å; G78-Y98 PolarHBondContact O-OH 3.12Å
79N96.1Very high95.5Very high115 Ų11573.1 Ų73.162%0.61538%0.383SS*.THydrogen-bonded Turntrans-90.5-8.8177.8-66.1-31.6000113.7A77 N93A77-N79 PolarHBondContact O-N 2.92Å; N79-N93 PolarHBondContact OD1-ND2 3.43Å
80D96.7Very high95.5Very high107 Ų10773.7 Ų73.757%0.57239%0.386SS*.EExtended strand (participates in β ladder)trans-85.4126.3-173.3-58.2-38.4000109.9Y76 A77 W82Y76-D80 CarbonylContact C-O 3.53Å; Y76-D80 VanDerWaalsContact CA-O 3.27Å; Y76-D80 WeakPolarHBondContact CA-O 3.01Å; Y76-D80 WeakPolarHBondContact CD1-O 3.32Å; A77-D80 PolarHBondContact N-O 2.8Å; A77-D80 PolarHBondContact O-N 2.75Å; D80-W82 VanDerWaalsContact O-CD1 3.23Å
81K97.3Very high95.5Very high80 Ų8075.8 Ų75.835%0.34840%0.397SS..EExtended strand (participates in β ladder)trans-84.8126.6173.8-171.2177.2-178.3163.30109.6Y76 C83 D85 P86 V88Y76-K81 HydrophobicContact CD1-CB 4.05Å; Y76-K81 HydrophobicContact CD2-CG 4.41Å; Y76-K81 HydrophobicContact CE1-CB 3.49Å; Y76-K81 VanDerWaalsContact CE1-CB 3.49Å; Y76-K81 HydrophobicContact CE1-CG 4Å; Y76-K81 HydrophobicContact CE2-CB 4.28Å; Y76-K81 HydrophobicContact CE2-CD 4.19Å; Y76-K81 HydrophobicContact CE2-CG 3.83Å; Y76-K81 WeakPolarHBondContact OH-CD 3.48Å; K81-C83 WeakPolarHBondContact CE-O 3.35Å; K81-C83 VanDerWaalsContact CE-SG 3.53Å; K81-D85 WeakPolarHBondContact CE-O 3.35Å; K81-D85 PolarHBondContact NZ-O 2.96Å; K81-P86 PolarHBondContact NZ-O 2.86Å; K81-V88 VanDerWaalsContact CE-O 3.3Å; K81-V88 WeakPolarHBondContact CE-O 3.48Å; K81-V88 PolarHBondContact NZ-O 2.04Å
82W97.2Very high95.9Very high163 Ų16367.4 Ų67.462%0.61737%0.369SS*.  trans-110.5-21.8-179.1-70.781.8000113I74 L75 D80I74-W82 HydrophobicContact CB-CB 4.09Å; I74-W82 HydrophobicContact CB-CG 4.36Å; I74-W82 HydrophobicContact CG2-CB 3.92Å; I74-W82 HydrophobicContact CG2-CG 3.88Å; I74-W82 VanDerWaalsContact O-CB 3.29Å; I74-W82 WeakPolarHBondContact O-CB 3.41Å; L75-W82 PolarHBondContact O-N 3.08Å; D80-W82 VanDerWaalsContact O-CD1 3.23Å
83C94.9Very high96.3Very high23 Ų2364.9 Ų64.916%0.15535%0.346CS..  trans-81.5149.9173.965.40000112.2I74 L75 K81 D85I74-C83 PolarHBondContact O-N 3.37Å; L75-C83 HydrophobicContact CD2-CB 3.81Å; L75-C83 PolarHBondContact O-N 2.82Å; K81-C83 WeakPolarHBondContact CE-O 3.35Å; K81-C83 VanDerWaalsContact CE-SG 3.53Å; C83-D85 VanDerWaalsContact C-N 3.35Å
84L95.3Very high96.3Very high177 Ų17764.2 Ų64.293%0.92734%0.342SS*.  trans-82.6-13175.1-62.6178.2000113.2P86L84-P86 VanDerWaalsContact O-CD 3.23Å; L84-P86 WeakPolarHBondContact O-CD 3.37Å
85D96Very high95.8Very high44 Ų4468 Ų6824%0.23536%0.358CS..  trans-69.4112.1-178-171.8-20.7000110.2K81 C83 R87 V88K81-D85 WeakPolarHBondContact CE-O 3.35Å; K81-D85 PolarHBondContact NZ-O 2.96Å; C83-D85 VanDerWaalsContact C-N 3.35Å; D85-R87 PolarHBondContact O-N 2.65Å; D85-R87 WeakPolarHBondContact OD1-CB 3.44Å; D85-R87 WeakPolarHBondContact OD1-CG 3.37Å; D85-R87 PolarHBondContact OD1-N 2.59Å; D85-R87 IonicContact OD1-NE 2.76Å; D85-R87 PolarHBondContact OD1-NE 2.93Å; D85-R87 VanDerWaalsContact OD1-NE 3.15Å; D85-R87 IonicContact OD2-CZ 2.74Å; D85-R87 IonicContact OD2-NE 3.15Å; D85-R87 PolarHBondContact OD2-NE 2.8Å; D85-R87 IonicContact OD2-NH2 3.3Å; D85-R87 PolarHBondContact OD2-NH2 2.94Å; D85-V88 HydrophobicContact CB-CG2 4.04Å; D85-V88 PolarHBondContact O-N 2.95Å
86P96.6Very high95.5Very high103 Ų10371.4 Ų71.467%0.66938%0.379SS*.THydrogen-bonded Turntrans-64.8-23.2-177.228.2-35.4000112.8K81 L84 V88K81-P86 PolarHBondContact NZ-O 2.86Å; L84-P86 VanDerWaalsContact O-CD 3.23Å; L84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-V88 VanDerWaalsContact C-N 3.28Å; P86-V88 PolarHBondContact O-N 2.87Å
87R97.8Very high95.3Very high55 Ų5573.6 Ų73.621%0.20839%0.39CS..THydrogen-bonded Turntrans-71.6-21.8-176.8-59.1176.9-58.8144.15113.6D85 Q103 N104 D109D85-R87 PolarHBondContact O-N 2.65Å; D85-R87 WeakPolarHBondContact OD1-CB 3.44Å; D85-R87 WeakPolarHBondContact OD1-CG 3.37Å; D85-R87 PolarHBondContact OD1-N 2.59Å; D85-R87 IonicContact OD1-NE 2.76Å; D85-R87 PolarHBondContact OD1-NE 2.93Å; D85-R87 VanDerWaalsContact OD1-NE 3.15Å; D85-R87 IonicContact OD2-CZ 2.74Å; D85-R87 IonicContact OD2-NE 3.15Å; D85-R87 PolarHBondContact OD2-NE 2.8Å; D85-R87 IonicContact OD2-NH2 3.3Å; D85-R87 PolarHBondContact OD2-NH2 2.94Å; R87-Q103 HydrophobicContact CB-CB 4.4Å; R87-Q103 VanDerWaalsContact CB-O 3.31Å; R87-Q103 WeakPolarHBondContact CB-O 3.46Å; R87-Q103 WeakPolarHBondContact CD-O 3.22Å; R87-Q103 PolarHBondContact O-N 3.22Å; R87-N104 PolarHBondContact NH1-O 3.26Å; R87-D109 IonicContact CZ-OD1 2.79Å; R87-D109 IonicContact CZ-OD2 3.21Å; R87-D109 IonicContact NH1-OD1 3.43Å; R87-D109 IonicContact NH1-OD2 3.73Å; R87-D109 PolarHBondContact NH1-OD2 2.82Å; R87-D109 IonicContact NH2-OD1 3.8Å; R87-D109 PolarHBondContact NH2-OD1 3.15Å; R87-D109 IonicContact NH2-OD2 2.73Å; R87-D109 PolarHBondContact NH2-OD2 2.77Å
88V97.6Very high95.3Very high5 Ų572.2 Ų72.23%0.0338%0.379CS..EExtended strand (participates in β ladder)trans-83.1116.3178.6-171.10000109.1L75 Y76 K81 D85 P86 I100 E101 I102L75-V88 HydrophobicContact CB-CG1 4.45Å; L75-V88 HydrophobicContact CD1-CG1 4.38Å; Y76-V88 HydrophobicContact CD2-CG1 4.28Å; Y76-V88 HydrophobicContact CE2-CG1 4.04Å; Y76-V88 PolarHBondContact OH-O 3.46Å; K81-V88 VanDerWaalsContact CE-O 3.3Å; K81-V88 WeakPolarHBondContact CE-O 3.48Å; K81-V88 PolarHBondContact NZ-O 2.04Å; D85-V88 HydrophobicContact CB-CG2 4.04Å; D85-V88 PolarHBondContact O-N 2.95Å; P86-V88 VanDerWaalsContact C-N 3.28Å; P86-V88 PolarHBondContact O-N 2.87Å; V88-I100 HydrophobicContact CG1-CD1 4.15Å; V88-E101 CarbonylContact C-O 3.52Å; V88-E101 WeakPolarHBondContact CA-O 3.3Å; V88-I102 HydrophobicContact CG2-CG1 4.35Å
89V97.6Very high95.4Very high37 Ų3771.1 Ų71.122%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-124.1144.5-177.4-58.80000110.9L91 I100 E101 Q103V89-L91 HydrophobicContact CG2-CD2 4.41Å; V89-L91 PolarHBondContact O-N 3.27Å; V89-I100 CarbonylContact O-C 3.53Å; V89-I100 VanDerWaalsContact O-CA 3.27Å; V89-I100 WeakPolarHBondContact O-CA 3.48Å; V89-I100 WeakPolarHBondContact O-CB 3.38Å; V89-E101 HydrophobicContact CG2-CB 3.68Å; V89-E101 HydrophobicContact CG2-CG 4.14Å; V89-E101 PolarHBondContact N-O 3.04Å; V89-E101 PolarHBondContact O-N 2.86Å; V89-Q103 HydrophobicContact CG2-CG 4.47Å
90L97.6Very high95.5Very high47 Ų4765.6 Ų65.625%0.24634%0.338CS..EExtended strand (participates in β ladder)trans-79.9118.7172.9-175.867.3000109.2Y76 N93 Y98 I100Y76-L90 HydrophobicContact CD1-CB 4.05Å; Y76-L90 HydrophobicContact CD1-CD2 4.36Å; Y76-L90 HydrophobicContact CE1-CB 3.63Å; Y76-L90 HydrophobicContact CE1-CD2 4.42Å; Y76-L90 HydrophobicContact CE2-CB 4.35Å; Y76-L90 PolarHBondContact OH-N 2.88Å; L90-N93 HydrophobicContact CD2-CB 4.13Å; L90-Y98 HydrophobicContact CD1-CD2 4.21Å; L90-Y98 HydrophobicContact CD1-CE2 3.65Å; L90-I100 HydrophobicContact CD1-CG2 4.04Å
91L96.6Very high95.6Very high83 Ų8362.2 Ų62.244%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-89.2-42.7178.1-73-177.2000112.5T54 V89 S99 E101T54-L91 HydrophobicContact CG2-CD1 3.6Å; V89-L91 HydrophobicContact CG2-CD2 4.41Å; V89-L91 PolarHBondContact O-N 3.27Å; L91-S99 WeakPolarHBondContact CB-O 3.33Å; L91-S99 PolarHBondContact N-O 2.71Å; L91-E101 HydrophobicContact CD1-CB 3.56Å; L91-E101 HydrophobicContact CD2-CB 3.8Å; L91-E101 HydrophobicContact CG-CB 3.53Å
92S95Very high95.6Very high20 Ų2058.4 Ų58.414%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-148.6138.7-178.3610000111.8Q97 Y98 S99S92-Q97 WeakPolarHBondContact OG-CG 3.41Å; S92-Y98 CarbonylContact O-C 3.52Å; S92-Y98 VanDerWaalsContact O-CA 3.28Å; S92-Y98 WeakPolarHBondContact O-CA 3.5Å; S92-S99 PolarHBondContact N-O 3.27Å; S92-S99 VanDerWaalsContact N-O 3.1Å; S92-S99 PolarHBondContact O-N 3.16Å; S92-S99 VanDerWaalsContact OG-CB 3.28Å; S92-S99 WeakPolarHBondContact OG-CB 3.19Å; S92-S99 PolarHBondContact OG-N 3.21Å; S92-S99 PolarHBondContact OG-OG 3Å
93N94.3Very high95.7Very high63 Ų6354.6 Ų54.634%0.33729%0.291SS..EExtended strand (participates in β ladder)trans-140.384.3168.6-177.213.6000108.3N79 L90 Y98N79-N93 PolarHBondContact OD1-ND2 3.43Å; L90-N93 HydrophobicContact CD2-CB 4.13Å; N93-Y98 HydrophobicContact CB-CD2 3.88Å; N93-Y98 HydrophobicContact CB-CE2 4.02Å
94T92.6Very high95.8Very high71 Ų7158.4 Ų58.444%0.43631%0.31SS..SBendtrans-116.9173.8178.573.10000109.6T96 Q97T94-T96 PolarHBondContact O-N 2.9Å; T94-T96 PolarHBondContact OG1-N 3.43Å; T94-Q97 PolarHBondContact N-O 2.95Å; T94-Q97 PolarHBondContact O-N 3.39Å; T94-Q97 PolarHBondContact OG1-N 3.02Å; T94-Q97 VanDerWaalsContact OG1-N 3.14Å; T94-Q97 PolarHBondContact OG1-O 2.97Å
95Q87.4Confident95.9Very high152 Ų15250 Ų5071%0.7127%0.266SS*.SBendtrans-60.7-18.1178.5-67.7179.1-8.300113.8N61N61-Q95 VanDerWaalsContact CA-O 3.31Å; N61-Q95 WeakPolarHBondContact CA-O 3.34Å
96T91.2Very high96Very high81 Ų8150.1 Ų50.150%0.49727%0.267SS..SBendtrans-124.3-6.7-176.956.40000113.9I59 T94I59-T96 PolarHBondContact N-O 2.83Å; I59-T96 WeakPolarHBondContact O-CA 3.45Å; T94-T96 PolarHBondContact O-N 2.9Å; T94-T96 PolarHBondContact OG1-N 3.43Å
97Q93.7Very high96Very high67 Ų6746.9 Ų46.931%0.31325%0.245SC..EExtended strand (participates in β ladder)trans-144.7131.2-174.4-166-178.9-1.800112.2C57 S92 T94 S99C57-Q97 WeakPolarHBondContact O-CA 3Å; S92-Q97 WeakPolarHBondContact OG-CG 3.41Å; T94-Q97 PolarHBondContact N-O 2.95Å; T94-Q97 PolarHBondContact O-N 3.39Å; T94-Q97 PolarHBondContact OG1-N 3.02Å; T94-Q97 VanDerWaalsContact OG1-N 3.14Å; T94-Q97 PolarHBondContact OG1-O 2.97Å; Q97-S99 WeakPolarHBondContact CG-OG 3.49Å; Q97-S99 PolarHBondContact NE2-OG 2.78Å
98Y95.9Very high95.9Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-131.694.8175-169.7-115.2000110.5C57 V66 W68 Y76 G78 L90 S92 N93C57-Y98 WeakPolarHBondContact CB-O 3.37Å; C57-Y98 PolarHBondContact N-O 2.8Å; C57-Y98 PolarHBondContact O-N 3.09Å; V66-Y98 HydrophobicContact CB-CD1 4.11Å; V66-Y98 HydrophobicContact CB-CE1 4.29Å; V66-Y98 HydrophobicContact CB-CG 4.29Å; V66-Y98 HydrophobicContact CG1-CD1 3.72Å; V66-Y98 HydrophobicContact CG1-CD2 3.54Å; V66-Y98 HydrophobicContact CG1-CE1 3.82Å; V66-Y98 HydrophobicContact CG1-CE2 3.7Å; V66-Y98 HydrophobicContact CG1-CG 3.55Å; V66-Y98 HydrophobicContact CG2-CD1 3.27Å; V66-Y98 HydrophobicContact CG2-CE1 3.72Å; V66-Y98 HydrophobicContact CG2-CG 3.74Å; W68-Y98 HydrophobicContact CB-CE1 4.39Å; W68-Y98 AromaticContact CD1-CD1 3.34Å; W68-Y98 AromaticContact CD1-CE1 3.21Å; W68-Y98 HydrophobicContact CG-CD1 4.33Å; W68-Y98 HydrophobicContact CG-CE1 4.02Å; W68-Y98 AromaticContact NE1-CD1 3.53Å; W68-Y98 AromaticContact NE1-CE1 3.92Å; W68-Y98 PolarHBondContact NE1-O 2.91Å; Y76-Y98 VanDerWaalsContact CB-OH 3.31Å; Y76-Y98 WeakPolarHBondContact CB-OH 3.39Å; G78-Y98 PolarHBondContact N-OH 2.8Å; G78-Y98 VanDerWaalsContact O-CE2 3.29Å; G78-Y98 WeakPolarHBondContact O-CE2 3.42Å; G78-Y98 PolarHBondContact O-OH 3.12Å; L90-Y98 HydrophobicContact CD1-CD2 4.21Å; L90-Y98 HydrophobicContact CD1-CE2 3.65Å; S92-Y98 CarbonylContact O-C 3.52Å; S92-Y98 VanDerWaalsContact O-CA 3.28Å; S92-Y98 WeakPolarHBondContact O-CA 3.5Å; N93-Y98 HydrophobicContact CB-CD2 3.88Å; N93-Y98 HydrophobicContact CB-CE2 4.02Å
99S96.7Very high95.8Very high0 Ų054.7 Ų54.70%028%0.277CS..EExtended strand (participates in β ladder)trans-121.2141.3-172.3-49.10000111.8L55 R56 L91 S92 Q97L55-S99 VanDerWaalsContact O-CA 3.26Å; L55-S99 WeakPolarHBondContact O-CA 3.2Å; L55-S99 WeakPolarHBondContact O-CB 3.27Å; R56-S99 WeakPolarHBondContact CA-OG 3.42Å; L91-S99 WeakPolarHBondContact CB-O 3.33Å; L91-S99 PolarHBondContact N-O 2.71Å; S92-S99 PolarHBondContact N-O 3.27Å; S92-S99 VanDerWaalsContact N-O 3.1Å; S92-S99 PolarHBondContact O-N 3.16Å; S92-S99 VanDerWaalsContact OG-CB 3.28Å; S92-S99 WeakPolarHBondContact OG-CB 3.19Å; S92-S99 PolarHBondContact OG-N 3.21Å; S92-S99 PolarHBondContact OG-OG 3Å; Q97-S99 WeakPolarHBondContact CG-OG 3.49Å; Q97-S99 PolarHBondContact NE2-OG 2.78Å
100I97.8Very high95.8Very high0 Ų056.3 Ų56.30%028%0.282CS..EExtended strand (participates in β ladder)trans-115.4156.5170.959169.6000109.9L55 W68 L75 Y76 V88 V89 L90L55-I100 HydrophobicContact CB-CG1 4.02Å; L55-I100 HydrophobicContact CD1-CD1 4.16Å; L55-I100 HydrophobicContact CD1-CG1 4.27Å; L55-I100 HydrophobicContact CG-CG1 4.39Å; L55-I100 PolarHBondContact N-O 2.92Å; L55-I100 PolarHBondContact O-N 2.9Å; L55-I100 VanDerWaalsContact O-N 3.16Å; W68-I100 HydrophobicContact CB-CD1 3.96Å; W68-I100 HydrophobicContact CB-CG2 4.39Å; W68-I100 VanDerWaalsContact CD1-CG2 3.43Å; W68-I100 HydrophobicContact CD2-CD1 3.91Å; W68-I100 HydrophobicContact CD2-CG1 4.02Å; W68-I100 HydrophobicContact CE3-CD1 4.31Å; W68-I100 HydrophobicContact CG-CD1 3.75Å; W68-I100 HydrophobicContact CG-CG1 3.96Å; W68-I100 HydrophobicContact CG-CG2 4Å; L75-I100 HydrophobicContact CD1-CD1 3.65Å; Y76-I100 HydrophobicContact CD2-CG2 3.99Å; Y76-I100 HydrophobicContact CG-CG2 4.49Å; V88-I100 HydrophobicContact CG1-CD1 4.15Å; V89-I100 CarbonylContact O-C 3.53Å; V89-I100 VanDerWaalsContact O-CA 3.27Å; V89-I100 WeakPolarHBondContact O-CA 3.48Å; V89-I100 WeakPolarHBondContact O-CB 3.38Å; L90-I100 HydrophobicContact CD1-CG2 4.04Å
101E98Very high95.7Very high35 Ų3554.7 Ų54.716%0.16428%0.277CS..EExtended strand (participates in β ladder)trans-117.6141.9167.9169.8-179.4-109.900109.5S52 A53 V88 V89 L91 Q103S52-E101 VanDerWaalsContact CB-OE1 3.27Å; S52-E101 WeakPolarHBondContact CB-OE1 3.49Å; A53-E101 CarbonylContact O-C 3.52Å; A53-E101 VanDerWaalsContact O-CA 3.24Å; A53-E101 WeakPolarHBondContact O-CA 3.41Å; V88-E101 CarbonylContact C-O 3.52Å; V88-E101 WeakPolarHBondContact CA-O 3.3Å; V89-E101 HydrophobicContact CG2-CB 3.68Å; V89-E101 HydrophobicContact CG2-CG 4.14Å; V89-E101 PolarHBondContact N-O 3.04Å; V89-E101 PolarHBondContact O-N 2.86Å; L91-E101 HydrophobicContact CD1-CB 3.56Å; L91-E101 HydrophobicContact CD2-CB 3.8Å; L91-E101 HydrophobicContact CG-CB 3.53Å; E101-Q103 HydrophobicContact CG-CG 3.94Å; E101-Q103 WeakPolarHBondContact OE2-CG 3.34Å; E101-Q103 PolarHBondContact OE2-NE2 3.38Å
102I98.3Very high95.8Very high1 Ų152.9 Ų52.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-111.2111.9169.1-53.1177.1000105.8S52 A53 L55 V88 V105 Y113 L130S52-I102 CarbonylContact C-O 3.49Å; S52-I102 VanDerWaalsContact CA-O 3.28Å; S52-I102 WeakPolarHBondContact CA-O 3.44Å; A53-I102 PolarHBondContact N-O 3.02Å; A53-I102 PolarHBondContact O-N 3.18Å; L55-I102 HydrophobicContact CD1-CD1 4.21Å; V88-I102 HydrophobicContact CG2-CG1 4.35Å; I102-V105 HydrophobicContact CB-CG2 4.21Å; I102-V105 HydrophobicContact CG2-CG2 4.1Å; I102-V105 VanDerWaalsContact O-CG2 3.3Å; I102-V105 WeakPolarHBondContact O-CG2 3.41Å; I102-Y113 HydrophobicContact CD1-CD1 4.4Å; I102-Y113 HydrophobicContact CD1-CE1 3.6Å; I102-Y113 HydrophobicContact CD1-CE2 4.37Å; I102-L130 HydrophobicContact CD1-CD2 4.13Å
103Q98.3Very high95.9Very high82 Ų8252.1 Ų52.138%0.38326%0.264SS..SBendtrans-84.7151.8-179.2-61.4-177.3-18.300111.1R87 V89 E101 V105R87-Q103 HydrophobicContact CB-CB 4.4Å; R87-Q103 VanDerWaalsContact CB-O 3.31Å; R87-Q103 WeakPolarHBondContact CB-O 3.46Å; R87-Q103 WeakPolarHBondContact CD-O 3.22Å; R87-Q103 PolarHBondContact O-N 3.22Å; V89-Q103 HydrophobicContact CG2-CG 4.47Å; E101-Q103 HydrophobicContact CG-CG 3.94Å; E101-Q103 WeakPolarHBondContact OE2-CG 3.34Å; E101-Q103 PolarHBondContact OE2-NE2 3.38Å; Q103-V105 PolarHBondContact O-N 3.48Å
104N97.6Very high96Very high103 Ų10349.9 Ų49.955%0.55125%0.252SS*.SBendtrans47.358.7178-173.941.6000111.6E51 R87 D106E51-N104 PolarHBondContact O-N 2.96Å; R87-N104 PolarHBondContact NH1-O 3.26Å; N104-D106 PolarHBondContact O-N 2.72Å
105V98.1Very high96.2Very high1 Ų146.5 Ų46.51%0.00623%0.232CC..  trans-60.9133.2-173.7172.10000110.3V47 Q49 G50 E51 A53 I102 Q103 D109 L130 V132V47-V105 HydrophobicContact CG1-CB 4.12Å; V47-V105 HydrophobicContact CG1-CG1 3.73Å; V47-V105 HydrophobicContact CG1-CG2 4.17Å; Q49-V105 CarbonylContact C-O 3.57Å; Q49-V105 WeakPolarHBondContact CA-O 3.34Å; Q49-V105 WeakPolarHBondContact CG-O 3.38Å; G50-V105 PolarHBondContact N-O 2.89Å; E51-V105 WeakPolarHBondContact O-CB 3.15Å; E51-V105 VanDerWaalsContact O-CG2 3.25Å; E51-V105 WeakPolarHBondContact O-CG2 3.39Å; E51-V105 PolarHBondContact O-N 3.28Å; A53-V105 HydrophobicContact CB-CG2 3.73Å; I102-V105 HydrophobicContact CB-CG2 4.21Å; I102-V105 HydrophobicContact CG2-CG2 4.1Å; I102-V105 VanDerWaalsContact O-CG2 3.3Å; I102-V105 WeakPolarHBondContact O-CG2 3.41Å; Q103-V105 PolarHBondContact O-N 3.48Å; V105-D109 HydrophobicContact CG1-CB 4.2Å; V105-L130 HydrophobicContact CG1-CD2 4.33Å; V105-V132 HydrophobicContact CG1-CB 4.48Å; V105-V132 HydrophobicContact CG1-CG1 4.05Å; V105-V132 HydrophobicContact CG1-CG2 3.58Å
106D97.2Very high96.5Very high47 Ų4740.3 Ų40.325%0.25121%0.205SC..  trans-108.1160.8174.3-169.6-93.2000111Q49 N104 Y108 D109Q49-D106 PolarHBondContact NE2-OD2 2.97Å; N104-D106 PolarHBondContact O-N 2.72Å; D106-Y108 PolarHBondContact O-N 3.49Å; D106-Y108 VanDerWaalsContact O-N 3.16Å; D106-Y108 WeakPolarHBondContact OD1-CD2 3.25Å; D106-Y108 PolarHBondContact OD1-N 2.73Å; D106-Y108 VanDerWaalsContact OD1-N 3.08Å; D106-D109 PolarHBondContact N-OD2 2.87Å; D106-D109 WeakPolarHBondContact O-CB 3.38Å; D106-D109 PolarHBondContact O-N 2.94Å
107V96.3Very high96.6Very high35 Ų3536.4 Ų36.421%0.21218%0.182CC..G310 helixtrans-58.3-26.9177.8-64.90000113D109 E110 V132 V134V107-D109 VanDerWaalsContact C-N 3.27Å; V107-D109 PolarHBondContact O-N 2.85Å; V107-E110 WeakPolarHBondContact O-CB 3.28Å; V107-E110 PolarHBondContact O-N 3.29Å; V107-V132 HydrophobicContact CG1-CG1 4.31Å; V107-V134 HydrophobicContact CG1-CG2 3.47Å; V107-V134 VanDerWaalsContact CG1-CG2 3.47Å
108Y95.8Very high96.3Very high207 Ų20737.6 Ų37.681%0.81219%0.187SC*.G310 helixtrans-76.3-12.2177.1-57.6-61.2000114D106 E110D106-Y108 PolarHBondContact O-N 3.49Å; D106-Y108 VanDerWaalsContact O-N 3.16Å; D106-Y108 WeakPolarHBondContact OD1-CD2 3.25Å; D106-Y108 PolarHBondContact OD1-N 2.73Å; D106-Y108 VanDerWaalsContact OD1-N 3.08Å; Y108-E110 VanDerWaalsContact C-N 3.25Å
109D96.5Very high95.6Very high17 Ų1738 Ų389%0.09119%0.19CC..G310 helixtrans-79.3-11.1175.7-59-40.1000112.1R87 V105 D106 V107 Y113 L130R87-D109 IonicContact CZ-OD1 2.79Å; R87-D109 IonicContact CZ-OD2 3.21Å; R87-D109 IonicContact NH1-OD1 3.43Å; R87-D109 IonicContact NH1-OD2 3.73Å; R87-D109 PolarHBondContact NH1-OD2 2.82Å; R87-D109 IonicContact NH2-OD1 3.8Å; R87-D109 PolarHBondContact NH2-OD1 3.15Å; R87-D109 IonicContact NH2-OD2 2.73Å; R87-D109 PolarHBondContact NH2-OD2 2.77Å; V105-D109 HydrophobicContact CG1-CB 4.2Å; D106-D109 PolarHBondContact N-OD2 2.87Å; D106-D109 WeakPolarHBondContact O-CB 3.38Å; D106-D109 PolarHBondContact O-N 2.94Å; V107-D109 VanDerWaalsContact C-N 3.27Å; V107-D109 PolarHBondContact O-N 2.85Å; D109-Y113 VanDerWaalsContact O-CE2 3.24Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.04Å; D109-L130 HydrophobicContact CB-CD2 4.16Å
110E97.2Very high94.6Very high70 Ų7045.4 Ų45.433%0.32723%0.229SC..  trans-59.9137.7-179.8-167178.693.800112.3V107 Y108 L130 V132 R162V107-E110 WeakPolarHBondContact O-CB 3.28Å; V107-E110 PolarHBondContact O-N 3.29Å; Y108-E110 VanDerWaalsContact C-N 3.25Å; E110-L130 WeakPolarHBondContact CG-O 3.32Å; E110-V132 HydrophobicContact CB-CB 4.39Å; E110-V132 HydrophobicContact CB-CG2 3.9Å; E110-V132 HydrophobicContact CG-CG2 4.42Å; E110-V132 PolarHBondContact OE2-N 3.39Å; E110-V132 VanDerWaalsContact OE2-N 3.16Å; E110-R162 IonicContact OE1-NH1 3.6Å; E110-R162 PolarHBondContact OE1-NH1 2.9Å; E110-R162 IonicContact OE2-CZ 2.72Å; E110-R162 IonicContact OE2-NH1 3.52Å; E110-R162 PolarHBondContact OE2-NH1 3.32Å
111G96.4Very high93.4Very high14 Ų1451.8 Ų51.814%0.14426%0.263CS..EExtended strand (participates in β ladder)trans139.7-169173.100000114.7Y113 H129 L130G111-Y113 WeakPolarHBondContact O-CD2 3.43Å; G111-H129 WeakPolarHBondContact O-CA 3.4Å; G111-L130 PolarHBondContact N-O 2.82Å; G111-L130 PolarHBondContact O-N 2.91Å
112P97.3Very high92.5Very high44 Ų4457 Ų5729%0.28629%0.287SS..EExtended strand (participates in β ladder)trans-80.6124.3-177.430.4-32.8000112.1V128P112-V128 CarbonylContact C-O 3.52Å; P112-V128 WeakPolarHBondContact CA-O 3.44Å
113Y97.7Very high91.9Very high4 Ų459.7 Ų59.72%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-105.3142.5167.5-66.9-101.8000109.2L55 L69 N70 L75 I102 D109 G111 R127 V128 L130L55-Y113 HydrophobicContact CD1-CD1 3.73Å; L55-Y113 HydrophobicContact CD1-CD2 3.89Å; L55-Y113 HydrophobicContact CD1-CE1 4.36Å; L55-Y113 HydrophobicContact CD1-CG 3.47Å; L55-Y113 VanDerWaalsContact CD1-CG 3.47Å; L69-Y113 WeakPolarHBondContact O-CA 3.42Å; N70-Y113 HydrophobicContact CB-CD1 4.01Å; N70-Y113 HydrophobicContact CB-CE1 3.82Å; L75-Y113 HydrophobicContact CD1-CD1 3.78Å; L75-Y113 HydrophobicContact CD1-CE1 3.89Å; I102-Y113 HydrophobicContact CD1-CD1 4.4Å; I102-Y113 HydrophobicContact CD1-CE1 3.6Å; I102-Y113 HydrophobicContact CD1-CE2 4.37Å; D109-Y113 VanDerWaalsContact O-CE2 3.24Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.04Å; G111-Y113 WeakPolarHBondContact O-CD2 3.43Å; Y113-R127 WeakPolarHBondContact O-CA 3.39Å; Y113-V128 PolarHBondContact N-O 3.12Å; Y113-V128 PolarHBondContact O-N 3.38Å; Y113-L130 HydrophobicContact CD2-CB 3.97Å; Y113-L130 HydrophobicContact CE2-CB 3.72Å; Y113-L130 HydrophobicContact CE2-CD2 3.95Å; Y113-L130 HydrophobicContact CE2-CG 4.49Å
114T97.1Very high91.6Very high16 Ų1658.7 Ų58.710%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-120.2122.1-174.7-55.70000110.4W68 L69 T125 S126 R127W68-T114 CarbonylContact C-O 3.59Å; W68-T114 WeakPolarHBondContact CA-O 3.33Å; W68-T114 VanDerWaalsContact CE3-C 3.47Å; L69-T114 PolarHBondContact N-O 3.04Å; L69-T114 PolarHBondContact O-N 2.79Å; T114-T125 HydrophobicContact CG2-CG2 3.79Å; T114-S126 CarbonylContact C-O 3.53Å; T114-S126 WeakPolarHBondContact CA-O 3.28Å; T114-R127 HydrophobicContact CG2-CG 4.23Å
115C96.1Very high91.3Very high0 Ų057 Ų570%029%0.292CS..EExtended strand (participates in β ladder)trans-89.4119.4164.2179.80000108F38 M42 C57 W68 T125 S126F38-C115 HydrophobicContact CE1-CB 4.44Å; F38-C115 WeakPolarHBondContact CZ-O 3.16Å; M42-C115 HydrophobicContact SD-CB 4.3Å; C57-C115 HydrophobicContact CB-CB 3.64Å; C57-C115 WeakPolarHBondContact CB-SG 3.4Å; C57-C115 WeakPolarHBondContact SG-CB 3.38Å; C57-C115 CovalentContact SG-SG 2.04Å; C57-C115 PolarHBondContact SG-SG 2.69Å; W68-C115 HydrophobicContact CD2-CB 4.28Å; W68-C115 HydrophobicContact CE3-CB 4.23Å; W68-C115 HydrophobicContact CH2-CB 3.93Å; W68-C115 HydrophobicContact CZ2-CB 3.98Å; W68-C115 HydrophobicContact CZ3-CB 4.04Å; C115-T125 CarbonylContact O-C 3.57Å; C115-T125 WeakPolarHBondContact O-CA 3.31Å; C115-S126 PolarHBondContact N-O 2.83Å; C115-S126 PolarHBondContact O-N 2.84Å
116S94.6Very high91.1Very high22 Ų2257.6 Ų57.615%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-115.4127.9-178.2-1760000110.1V66 A67 K124V66-S116 CarbonylContact C-O 3.59Å; V66-S116 VanDerWaalsContact CA-O 3.31Å; V66-S116 WeakPolarHBondContact CA-O 3.3Å; A67-S116 PolarHBondContact N-O 3.18Å; A67-S116 PolarHBondContact O-N 3.2Å; S116-K124 WeakPolarHBondContact CA-O 3.24Å
117V92.9Very high91Very high0 Ų062.9 Ų62.90%031%0.313CS..EExtended strand (participates in β ladder)trans-112.7133.5174.6-60.90000109.6F38 I59 V63 R65 V66 P123 K124F38-V117 HydrophobicContact CE1-CG1 3.82Å; F38-V117 HydrophobicContact CE1-CG2 4.32Å; F38-V117 HydrophobicContact CE2-CG2 4.01Å; F38-V117 HydrophobicContact CZ-CB 4.34Å; F38-V117 HydrophobicContact CZ-CG1 3.85Å; F38-V117 HydrophobicContact CZ-CG2 3.72Å; I59-V117 HydrophobicContact CG2-CG1 3.84Å; V63-V117 HydrophobicContact CG1-CB 3.92Å; V63-V117 HydrophobicContact CG1-CG1 3.71Å; V63-V117 HydrophobicContact CG2-CB 4.03Å; V63-V117 HydrophobicContact CG2-CG1 3.97Å; V63-V117 HydrophobicContact CG2-CG2 4.41Å; R65-V117 WeakPolarHBondContact O-CA 3.5Å; V66-V117 HydrophobicContact CB-CG1 4.29Å; V66-V117 HydrophobicContact CG2-CG1 3.87Å; V117-P123 CarbonylContact O-C 3.58Å; V117-P123 VanDerWaalsContact O-CA 3.31Å; V117-P123 WeakPolarHBondContact O-CA 3.28Å; V117-K124 HydrophobicContact CG2-CB 3.97Å; V117-K124 PolarHBondContact N-O 2.89Å; V117-K124 PolarHBondContact O-N 3.3Å
118Q86.8Confident91Very high91 Ų9161.2 Ų61.243%0.42530%0.303SS..  trans-72.3136.3174.7-175.862.847.400109.5R65R65-Q118 HydrophobicContact CB-CB 3.85Å; R65-Q118 PolarHBondContact O-N 3.07Å
119T81.5Confident91.1Very high9 Ų955.3 Ų55.36%0.05528%0.283CS..  trans-126.9174.716984.50000111.5D35 A36 N121 H122 K124D35-T119 WeakPolarHBondContact OD1-CB 3.42Å; D35-T119 PolarHBondContact OD1-OG1 2.89Å; A36-T119 HydrophobicContact CB-CG2 4.3Å; T119-N121 VanDerWaalsContact C-N 3.26Å; T119-N121 PolarHBondContact O-N 2.87Å; T119-H122 WeakPolarHBondContact CB-O 3.19Å; T119-H122 PolarHBondContact OG1-N 3.48Å; T119-H122 PolarHBondContact OG1-O 2.87Å; T119-K124 HydrophobicContact CG2-CB 4.3Å; T119-K124 HydrophobicContact CG2-CD 4.13Å; T119-K124 HydrophobicContact CG2-CG 3.91Å
120D75.9Confident91.2Very high156 Ų15654.6 Ų54.683%0.83428%0.279SS*.SBendtrans-65.5-28.5-176.2-64.3-27000112.9
121N72.8Confident91.2Very high134 Ų13454.3 Ų54.372%0.71728%0.279SS*.SBendtrans-107.5-43.1-176.4-64.1-42.4000113.1T119T119-N121 VanDerWaalsContact C-N 3.26Å; T119-N121 PolarHBondContact O-N 2.87Å
122H78.4Confident91.3Very high144 Ų14453.7 Ų53.767%0.66727%0.272SS*.SBendtrans-161.1147.5-179.3-120.561.7000112.3T119 K124T119-H122 WeakPolarHBondContact CB-O 3.19Å; T119-H122 PolarHBondContact OG1-N 3.48Å; T119-H122 PolarHBondContact OG1-O 2.87Å; H122-K124 PolarHBondContact O-N 2.75Å
123P85.9Confident91.3Very high58 Ų5854.4 Ų54.438%0.37727%0.272SS..  trans-59.2129.6173.324.6-32.6000110.4V117V117-P123 CarbonylContact O-C 3.58Å; V117-P123 VanDerWaalsContact O-CA 3.31Å; V117-P123 WeakPolarHBondContact O-CA 3.28Å
124K90.9Very high91.3Very high61 Ų6155.8 Ų55.827%0.26528%0.281SS..EExtended strand (participates in β ladder)trans-94.8139.6170.7-71.7-173.8-167.3157.60109D35 A36 F38 S116 V117 T119 H122D35-K124 IonicContact OD1-NZ 2.73Å; D35-K124 WeakPolarHBondContact OD2-CE 3.42Å; D35-K124 IonicContact OD2-NZ 2.82Å; D35-K124 PolarHBondContact OD2-NZ 2.89Å; A36-K124 VanDerWaalsContact O-CD 3.27Å; A36-K124 WeakPolarHBondContact O-CD 3.49Å; A36-K124 WeakPolarHBondContact O-CE 3.37Å; A36-K124 PolarHBondContact O-NZ 3.42Å; F38-K124 HydrophobicContact CE2-CB 4.04Å; F38-K124 WeakPolarHBondContact CE2-O 3.4Å; S116-K124 WeakPolarHBondContact CA-O 3.24Å; V117-K124 HydrophobicContact CG2-CB 3.97Å; V117-K124 PolarHBondContact N-O 2.89Å; V117-K124 PolarHBondContact O-N 3.3Å; T119-K124 HydrophobicContact CG2-CB 4.3Å; T119-K124 HydrophobicContact CG2-CD 4.13Å; T119-K124 HydrophobicContact CG2-CG 3.91Å; H122-K124 PolarHBondContact O-N 2.75Å
125T93.1Very high91.4Very high66 Ų6657 Ų5741%0.40529%0.29SS..EExtended strand (participates in β ladder)trans-123.7139-176.660.20000112T114 C115T114-T125 HydrophobicContact CG2-CG2 3.79Å; C115-T125 CarbonylContact O-C 3.57Å; C115-T125 WeakPolarHBondContact O-CA 3.31Å
126S93.8Very high91.4Very high14 Ų1457.2 Ų57.210%0.09829%0.291CS..EExtended strand (participates in β ladder)trans-116.7139.5166.1-170.20000108.7F38 T114 C115F38-S126 VanDerWaalsContact CE2-N 3.33Å; T114-S126 CarbonylContact C-O 3.53Å; T114-S126 WeakPolarHBondContact CA-O 3.28Å; C115-S126 PolarHBondContact N-O 2.83Å; C115-S126 PolarHBondContact O-N 2.84Å
127R94.9Very high91.6Very high158 Ų15862.4 Ų62.460%0.59631%0.311SS*.EExtended strand (participates in β ladder)trans-116.7144.4-176-65.1-171.8178.9106.50.2110.8Y113 T114Y113-R127 WeakPolarHBondContact O-CA 3.39Å; T114-R127 HydrophobicContact CG2-CG 4.23Å
128V96.4Very high91.8Very high0 Ų062.5 Ų62.50%031%0.311CS..EExtended strand (participates in β ladder)trans-127.8139.5170.160.40000108.8M42 D43 V45 L55 W68 P112 Y113M42-V128 HydrophobicContact CB-CB 4.02Å; M42-V128 HydrophobicContact CE-CB 3.71Å; M42-V128 HydrophobicContact CE-CG1 3.68Å; M42-V128 HydrophobicContact CE-CG2 4.3Å; M42-V128 HydrophobicContact SD-CB 4.33Å; M42-V128 HydrophobicContact SD-CG1 4.46Å; D43-V128 WeakPolarHBondContact O-CG2 3.47Å; V45-V128 HydrophobicContact CG2-CG2 3.95Å; L55-V128 HydrophobicContact CB-CG1 4.44Å; L55-V128 HydrophobicContact CD1-CG1 4.3Å; L55-V128 HydrophobicContact CD2-CG1 4.26Å; W68-V128 HydrophobicContact CH2-CG1 3.8Å; W68-V128 HydrophobicContact CZ3-CG1 3.98Å; P112-V128 CarbonylContact C-O 3.52Å; P112-V128 WeakPolarHBondContact CA-O 3.44Å; Y113-V128 PolarHBondContact N-O 3.12Å; Y113-V128 PolarHBondContact O-N 3.38Å
129H97.4Very high92.4Very high84 Ų8461.7 Ų61.739%0.38931%0.313SS..EExtended strand (participates in β ladder)trans-94.6125167.8-69.972.2000109.6N44 V45 G111N44-H129 WeakPolarHBondContact CA-O 3.33Å; N44-H129 WeakPolarHBondContact OD1-CB 3.42Å; N44-H129 PolarHBondContact OD1-N 3.03Å; V45-H129 PolarHBondContact N-O 3.21Å; G111-H129 WeakPolarHBondContact O-CA 3.4Å
130L97.9Very high93.1Very high1 Ų166.7 Ų66.71%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-82.7122.9163.4-179.959.3000107.8V45 V47 A53 I102 V105 D109 E110 G111 Y113 V132V45-L130 HydrophobicContact CB-CD1 4.28Å; V45-L130 HydrophobicContact CG1-CD1 4.03Å; V45-L130 CarbonylContact O-C 3.53Å; V45-L130 WeakPolarHBondContact O-CA 3.2Å; V47-L130 HydrophobicContact CB-CD1 4.49Å; V47-L130 HydrophobicContact CG1-CD1 3.73Å; A53-L130 HydrophobicContact CB-CD1 3.57Å; A53-L130 HydrophobicContact CB-CD2 4.32Å; I102-L130 HydrophobicContact CD1-CD2 4.13Å; V105-L130 HydrophobicContact CG1-CD2 4.33Å; D109-L130 HydrophobicContact CB-CD2 4.16Å; E110-L130 WeakPolarHBondContact CG-O 3.32Å; G111-L130 PolarHBondContact N-O 2.82Å; G111-L130 PolarHBondContact O-N 2.91Å; Y113-L130 HydrophobicContact CD2-CB 3.97Å; Y113-L130 HydrophobicContact CE2-CB 3.72Å; Y113-L130 HydrophobicContact CE2-CD2 3.95Å; Y113-L130 HydrophobicContact CE2-CG 4.49Å; L130-V132 HydrophobicContact CD2-CG2 4.49Å; L130-V132 HydrophobicContact CG-CG2 4.21Å
131I97.7Very high94.2Very high65 Ų6561.2 Ų61.233%0.33331%0.306SS..EExtended strand (participates in β ladder)trans-110.7120.8176.9-59.3170.5000107.1N44 V45 T46 V47N44-I131 HydrophobicContact CB-CD1 4.24Å; V45-I131 PolarHBondContact O-N 3.46Å; T46-I131 WeakPolarHBondContact CA-O 3.49Å; T46-I131 HydrophobicContact CG2-CB 4.42Å; T46-I131 HydrophobicContact CG2-CG2 4.31Å; V47-I131 PolarHBondContact N-O 2.93Å
132V98.2Very high95.4Very high0 Ų056.3 Ų56.30%028%0.282CS..EExtended strand (participates in β ladder)trans-102.7121.9-177.3-175.10000109V47 Q49 V105 V107 E110 L130 R162V47-V132 HydrophobicContact CG1-CG2 4.41Å; Q49-V132 HydrophobicContact CB-CG1 4.18Å; V105-V132 HydrophobicContact CG1-CB 4.48Å; V105-V132 HydrophobicContact CG1-CG1 4.05Å; V105-V132 HydrophobicContact CG1-CG2 3.58Å; V107-V132 HydrophobicContact CG1-CG1 4.31Å; E110-V132 HydrophobicContact CB-CB 4.39Å; E110-V132 HydrophobicContact CB-CG2 3.9Å; E110-V132 HydrophobicContact CG-CG2 4.42Å; E110-V132 PolarHBondContact OE2-N 3.39Å; E110-V132 VanDerWaalsContact OE2-N 3.16Å; L130-V132 HydrophobicContact CD2-CG2 4.49Å; L130-V132 HydrophobicContact CG-CG2 4.21Å; V132-R162 WeakPolarHBondContact O-CD 3.44Å
133Q98.1Very high96.3Very high60 Ų6054.1 Ų54.128%0.2828%0.283SS..EExtended strand (participates in β ladder)trans-101.2138.6177.4-72.8-176.8-32.200110.7T46 V47 R48 Q49 R162 V207T46-Q133 HydrophobicContact CG2-CG 3.65Å; V47-Q133 PolarHBondContact O-N 2.87Å; R48-Q133 CarbonylContact C-O 3.59Å; R48-Q133 WeakPolarHBondContact CA-O 3.43Å; Q49-Q133 PolarHBondContact N-O 2.81Å; Q133-R162 CarbonylContact C-O 3.56Å; Q133-R162 VanDerWaalsContact CA-O 3.26Å; Q133-R162 WeakPolarHBondContact CA-O 3.28Å; Q133-V207 HydrophobicContact CB-CB 4.45Å; Q133-V207 HydrophobicContact CB-CG1 3.83Å; Q133-V207 HydrophobicContact CB-CG2 3.7Å; Q133-V207 HydrophobicContact CG-CG2 4.04Å
134V97.9Very high96.8Very high33 Ų3356.3 Ų56.320%0.229%0.291CS..EExtended strand (participates in β ladder)trans-118.2123.4178.2-176.70000107.8Q49 V107 R162 N205Q49-V134 HydrophobicContact CB-CG2 4.25Å; V107-V134 HydrophobicContact CG1-CG2 3.47Å; V107-V134 VanDerWaalsContact CG1-CG2 3.47Å; V134-R162 HydrophobicContact CB-CB 3.89Å; V134-R162 HydrophobicContact CG2-CB 3.95Å; V134-R162 PolarHBondContact N-O 3.26Å; V134-R162 PolarHBondContact O-N 3.23Å; V134-N205 PolarHBondContact O-ND2 3.16Å
135S97.3Very high97.1Very high40 Ų4056.3 Ų56.328%0.2829%0.293SS..EExtended strand (participates in β ladder)trans-55.6150.5176.2-60.20000111.6R48R48-S135 PolarHBondContact NE-OG 2.84Å
136P97.9Very high97.4Very high6 Ų656.5 Ų56.54%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-70.3145.5-178.430.7-28.3000109.7T160 P165 A203 N205 V211P136-T160 CarbonylContact C-O 3.49Å; P136-T160 WeakPolarHBondContact CA-O 3.5Å; P136-P165 HydrophobicContact CB-CB 3.99Å; P136-P165 HydrophobicContact CB-CG 3.84Å; P136-A203 HydrophobicContact CB-CB 4.46Å; P136-N205 VanDerWaalsContact CD-OD1 3.24Å; P136-N205 WeakPolarHBondContact CD-OD1 3.23Å; P136-V211 HydrophobicContact CG-CG2 4.39Å; P136-V211 VanDerWaalsContact O-CG2 3.25Å; P136-V211 WeakPolarHBondContact O-CG2 3.33Å
137K97.4Very high97.6Very high131 Ų13157.1 Ų57.157%0.5730%0.3SS*.EExtended strand (participates in β ladder)trans-141.9122.7177.7-178.8-177.8178.1-175.80109.6V139 A159 T160K137-V139 PolarHBondContact O-N 3.21Å; K137-A159 CarbonylContact O-C 3.53Å; K137-A159 VanDerWaalsContact O-CA 3.23Å; K137-A159 WeakPolarHBondContact O-CA 3.28Å; K137-T160 PolarHBondContact N-O 2.83Å; K137-T160 PolarHBondContact O-N 3.16Å
138I98.3Very high97.7Very high1 Ų152.7 Ų52.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-73.2113.5171.3-60.4173.8000108.5E140 I141 A159 A203 V211 R213I138-E140 WeakPolarHBondContact CG2-O 3.39Å; I138-I141 HydrophobicContact CG2-CB 4.26Å; I138-A159 HydrophobicContact CG1-CB 4.33Å; I138-A203 HydrophobicContact CD1-CB 4.46Å; I138-A203 HydrophobicContact CG1-CB 3.98Å; I138-V211 HydrophobicContact CD1-CG1 4.13Å; I138-V211 WeakPolarHBondContact CD1-O 3.46Å; I138-V211 HydrophobicContact CG1-CG1 4.15Å; I138-R213 HydrophobicContact CD1-CB 4.04Å; I138-R213 HydrophobicContact CD1-CG 4Å; I138-R213 VanDerWaalsContact O-CZ 3.26Å; I138-R213 PolarHBondContact O-NH1 3.16Å; I138-R213 VanDerWaalsContact O-NH1 3.16Å; I138-R213 PolarHBondContact O-NH2 2.92Å
139V97.9Very high97.8Very high75 Ų7556 Ų5646%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-92.4-35.6-178.5-68.10000111.7K137 I158 T160K137-V139 PolarHBondContact O-N 3.21Å; V139-I158 HydrophobicContact CG2-CB 4.16Å; V139-I158 HydrophobicContact CG2-CG2 3.85Å; V139-I158 WeakPolarHBondContact CG2-O 3.38Å; V139-I158 PolarHBondContact N-O 2.96Å; V139-T160 HydrophobicContact CG1-CG2 3.76Å; V139-T160 HydrophobicContact CG2-CG2 3.96Å
140E97.6Very high97.8Very high113 Ų11354.3 Ų54.353%0.52831%0.309SS..EExtended strand (participates in β ladder)trans-136140.2-179.3-171173.9160.400110I138 C157 I158I138-E140 WeakPolarHBondContact CG2-O 3.39Å; E140-C157 WeakPolarHBondContact O-CA 3.44Å; E140-I158 HydrophobicContact CB-CB 4.14Å; E140-I158 HydrophobicContact CB-CD1 4.33Å; E140-I158 HydrophobicContact CB-CG1 4.5Å; E140-I158 PolarHBondContact N-O 2.82Å; E140-I158 PolarHBondContact O-N 3.48Å
141I97.8Very high97.8Very high42 Ų4257.8 Ų57.822%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-150.2145.4172.3-168.7168.3000110I138 T156 C157 W169 C201 R213 V215I138-I141 HydrophobicContact CG2-CB 4.26Å; I141-T156 CarbonylContact C-O 3.54Å; I141-T156 VanDerWaalsContact CA-O 3.24Å; I141-T156 WeakPolarHBondContact CA-O 3.48Å; I141-C157 HydrophobicContact CG1-CB 4.37Å; I141-W169 HydrophobicContact CD1-CH2 4.31Å; I141-W169 HydrophobicContact CG1-CH2 4.22Å; I141-C201 HydrophobicContact CD1-CB 4.03Å; I141-R213 HydrophobicContact CD1-CB 3.45Å; I141-R213 VanDerWaalsContact CD1-CB 3.45Å; I141-V215 HydrophobicContact CD1-CG2 3.65Å; I141-V215 HydrophobicContact CG1-CG2 3.67Å
142S97.7Very high97.7Very high31 Ų3159 Ų5922%0.21734%0.335CS..PPolyproline II helixtrans-56.7144.7172.3-64.10000112.2T156 V215S142-T156 PolarHBondContact N-O 3.19Å; S142-T156 PolarHBondContact OG-N 3.13Å; S142-V215 WeakPolarHBondContact O-CG2 3.33Å
143S97.5Very high97.6Very high97 Ų9759.6 Ų59.668%0.67834%0.337SS*.PPolyproline II helixtrans-76.5165168.961.60000111.4I145 V215S143-I145 PolarHBondContact O-N 3.42Å; S143-V215 WeakPolarHBondContact O-CG1 3.44Å
144D98Very high97.5Very high105 Ų10559.5 Ų59.556%0.56134%0.344SS*.PPolyproline II helixtrans-50.5139168.6-67.7-5.4000111.2K216D144-K216 WeakPolarHBondContact CA-O 3.25Å; D144-K216 HydrophobicContact CB-CB 4.21Å; D144-K216 WeakPolarHBondContact OD1-CB 3.39Å; D144-K216 PolarHBondContact OD1-N 3.46Å
145I97.1Very high97.4Very high60 Ų6058.1 Ų58.131%0.30834%0.335SS..EExtended strand (participates in β ladder)trans-128.5142.4-174.5-173.8169.4000111S143 I147 I153 L155 K216 V217 T218S143-I145 PolarHBondContact O-N 3.42Å; I145-I147 HydrophobicContact CG1-CB 4.5Å; I145-I153 HydrophobicContact CD1-CG2 4.43Å; I145-L155 HydrophobicContact CG2-CD2 4.31Å; I145-K216 PolarHBondContact N-O 2.79Å; I145-V217 HydrophobicContact CG2-CB 4.22Å; I145-V217 HydrophobicContact CG2-CG1 4.11Å; I145-V217 HydrophobicContact CG2-CG2 3.86Å; I145-T218 PolarHBondContact O-N 3.09Å
146S97.8Very high97.4Very high70 Ų7057.3 Ų57.349%0.4933%0.328SS..EExtended strand (participates in β ladder)trans-119.8119.3168.1-178.10000109T218 N220S146-T218 VanDerWaalsContact CA-O 3.3Å; S146-T218 WeakPolarHBondContact CA-O 3.31Å; S146-N220 PolarHBondContact OG-ND2 3.37Å; S146-N220 PolarHBondContact OG-OD1 3.03Å
147I97.9Very high97.4Very high28 Ų2857 Ų5714%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-137.2157-174.4-161.1168.5000110.6I145 N151 I153 I191 T218 V219 N220I145-I147 HydrophobicContact CG1-CB 4.5Å; I147-N151 HydrophobicContact CD1-CB 3.48Å; I147-N151 VanDerWaalsContact CD1-CB 3.48Å; I147-N151 HydrophobicContact CG1-CB 3.71Å; I147-I153 HydrophobicContact CB-CG2 4.41Å; I147-I153 HydrophobicContact CD1-CG2 3.4Å; I147-I153 VanDerWaalsContact CD1-CG2 3.4Å; I147-I153 HydrophobicContact CG1-CG2 4.45Å; I147-I153 HydrophobicContact CG2-CG2 3.86Å; I147-I191 HydrophobicContact CG2-CG2 3.96Å; I147-T218 PolarHBondContact N-O 3.34Å; I147-V219 CarbonylContact O-C 3.51Å; I147-V219 WeakPolarHBondContact O-CA 3.21Å; I147-N220 PolarHBondContact O-N 2.9Å; I147-N220 PolarHBondContact O-ND2 2.99Å
148N98.1Very high97.4Very high65 Ų6552.6 Ų52.635%0.34831%0.309SS..EExtended strand (participates in β ladder)trans-82150.9177.1-54.9-26.5000111.2N151 N220N148-N151 WeakPolarHBondContact CB-OD1 3.49Å; N148-N151 WeakPolarHBondContact O-CB 3.24Å; N148-N151 PolarHBondContact O-N 2.9Å; N148-N151 PolarHBondContact O-OD1 2.71Å; N148-N220 WeakPolarHBondContact CA-O 3.46Å; N148-N220 WeakPolarHBondContact OD1-CB 3.41Å; N148-N220 PolarHBondContact OD1-ND2 2.67Å
149E97.7Very high97.4Very high69 Ų6952.6 Ų52.632%0.32231%0.309SS..THydrogen-bonded Turntrans-55.4139.4174.1-174.5170.7-117.500111.6N151 R193 V219 N220E149-N151 VanDerWaalsContact C-N 3.3Å; E149-N151 PolarHBondContact O-N 2.81Å; E149-R193 WeakPolarHBondContact OE1-CB 3.43Å; E149-R193 WeakPolarHBondContact OE1-CG 2.91Å; E149-R193 IonicContact OE1-CZ 3.56Å; E149-R193 PolarHBondContact OE1-N 3.22Å; E149-R193 VanDerWaalsContact OE1-N 3.12Å; E149-R193 IonicContact OE1-NE 3.56Å; E149-R193 PolarHBondContact OE1-NE 3.08Å; E149-R193 IonicContact OE1-NH2 2.71Å; E149-R193 IonicContact OE2-CZ 2.87Å; E149-R193 IonicContact OE2-NE 2.98Å; E149-R193 IonicContact OE2-NH2 2.74Å; E149-R193 PolarHBondContact OE2-NH2 2.82Å; E149-V219 HydrophobicContact CB-CG1 3.87Å; E149-V219 HydrophobicContact CG-CG1 4.47Å; E149-N220 PolarHBondContact N-O 2.9Å
150G97.4Very high97.4Very high49 Ų4952 Ų5251%0.50531%0.306SS..THydrogen-bonded Turntrans83-4.4-17800000114.9I191G150-I191 PolarHBondContact N-O 2.82Å
151N98.1Very high97.3Very high74 Ų7447.4 Ų47.440%0.39629%0.289SS..  trans-80.3159.2170.8-70.2126.9000112.3I147 N148 E149 I191I147-N151 HydrophobicContact CD1-CB 3.48Å; I147-N151 VanDerWaalsContact CD1-CB 3.48Å; I147-N151 HydrophobicContact CG1-CB 3.71Å; N148-N151 WeakPolarHBondContact CB-OD1 3.49Å; N148-N151 WeakPolarHBondContact O-CB 3.24Å; N148-N151 PolarHBondContact O-N 2.9Å; N148-N151 PolarHBondContact O-OD1 2.71Å; E149-N151 VanDerWaalsContact C-N 3.3Å; E149-N151 PolarHBondContact O-N 2.81Å; N151-I191 VanDerWaalsContact O-CG2 3.31Å; N151-I191 WeakPolarHBondContact O-CG2 3.41Å; N151-I191 PolarHBondContact O-N 3.42Å
152N96.8Very high97.3Very high91 Ų9150.3 Ų50.349%0.48730%0.297SS..  trans-88.8142.9174.1-58.3-16000109.9I188 Q189 G190N152-I188 CarbonylContact C-O 3.58Å; N152-I188 VanDerWaalsContact CA-O 3.28Å; N152-I188 WeakPolarHBondContact CA-O 3.32Å; N152-Q189 PolarHBondContact ND2-OE1 3.47Å; N152-Q189 WeakPolarHBondContact OD1-CA 3.45Å; N152-Q189 PolarHBondContact OD1-OE1 3.28Å; N152-G190 PolarHBondContact OD1-N 2.75Å
153I95.4Very high97.2Very high11 Ų1152.1 Ų52.16%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-125.7151.8171.563.6163.9000111.1I145 I147 L155 E187 I188 I191 V217I145-I153 HydrophobicContact CD1-CG2 4.43Å; I147-I153 HydrophobicContact CB-CG2 4.41Å; I147-I153 HydrophobicContact CD1-CG2 3.4Å; I147-I153 VanDerWaalsContact CD1-CG2 3.4Å; I147-I153 HydrophobicContact CG1-CG2 4.45Å; I147-I153 HydrophobicContact CG2-CG2 3.86Å; I153-L155 HydrophobicContact CD1-CD2 4.41Å; I153-L155 HydrophobicContact CD1-CG 4.3Å; I153-E187 WeakPolarHBondContact O-CA 3.3Å; I153-I188 HydrophobicContact CD1-CB 4.38Å; I153-I188 HydrophobicContact CD1-CD1 4.09Å; I153-I188 HydrophobicContact CG1-CB 3.74Å; I153-I188 HydrophobicContact CG1-CD1 4.37Å; I153-I188 HydrophobicContact CG1-CG1 4.41Å; I153-I188 PolarHBondContact N-O 2.85Å; I153-I188 PolarHBondContact O-N 3.22Å; I153-I191 HydrophobicContact CD1-CD1 3.63Å; I153-I191 HydrophobicContact CG1-CD1 4.16Å; I153-V217 HydrophobicContact CD1-CG1 4.08Å; I153-V217 HydrophobicContact CD1-CG2 4.3Å
154S95.8Very high97.2Very high59 Ų5953.8 Ų53.841%0.41331%0.305SS..EExtended strand (participates in β ladder)trans-130.2118.1167.1-177.30000107.5L186S154-L186 CarbonylContact C-O 3.59Å; S154-L186 WeakPolarHBondContact CA-O 3.46Å
155L96.9Very high97.1Very high3 Ų349.4 Ų49.42%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-99141.3171.3-54.6-178.4000108.8I145 I153 W169 Y185 L186 Y199 V215 V217I145-L155 HydrophobicContact CG2-CD2 4.31Å; I153-L155 HydrophobicContact CD1-CD2 4.41Å; I153-L155 HydrophobicContact CD1-CG 4.3Å; L155-W169 HydrophobicContact CB-CH2 3.78Å; L155-W169 HydrophobicContact CB-CZ2 3.84Å; L155-W169 HydrophobicContact CB-CZ3 4.35Å; L155-W169 HydrophobicContact CD1-CH2 4.36Å; L155-W169 HydrophobicContact CD1-CZ3 4.16Å; L155-Y185 CarbonylContact O-C 3.48Å; L155-Y185 VanDerWaalsContact O-CA 3.28Å; L155-Y185 WeakPolarHBondContact O-CA 3.27Å; L155-L186 HydrophobicContact CB-CB 4.31Å; L155-L186 HydrophobicContact CD1-CD2 4.28Å; L155-L186 PolarHBondContact N-O 2.81Å; L155-L186 PolarHBondContact O-N 2.99Å; L155-Y199 HydrophobicContact CD1-CD1 3.92Å; L155-Y199 HydrophobicContact CD1-CE1 4.46Å; L155-Y199 HydrophobicContact CD1-CG 4Å; L155-V215 HydrophobicContact CD2-CG1 4.28Å; L155-V217 HydrophobicContact CD1-CG2 3.96Å; L155-V217 HydrophobicContact CD2-CG2 4.35Å
156T97.3Very high97.1Very high23 Ų2350.4 Ų50.414%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-118.3137.7-177.2-570000109.9I141 S142 I158 E184 Y185I141-T156 CarbonylContact C-O 3.54Å; I141-T156 VanDerWaalsContact CA-O 3.24Å; I141-T156 WeakPolarHBondContact CA-O 3.48Å; S142-T156 PolarHBondContact N-O 3.19Å; S142-T156 PolarHBondContact OG-N 3.13Å; T156-I158 HydrophobicContact CG2-CD1 3.97Å; T156-I158 HydrophobicContact CG2-CG1 3.87Å; T156-E184 CarbonylContact C-O 3.1Å; T156-E184 WeakPolarHBondContact CA-O 3.32Å; T156-Y185 HydrophobicContact CG2-CD1 4.12Å; T156-Y185 HydrophobicContact CG2-CE1 3.66Å; T156-Y185 WeakPolarHBondContact OG1-CD1 3.37Å; T156-Y185 WeakPolarHBondContact OG1-CE1 3.27Å
157C97.7Very high97.1Very high0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-145.4111.4171.4-175.20000109.2E140 I141 V167 W169 E184 C201E140-C157 WeakPolarHBondContact O-CA 3.44Å; I141-C157 HydrophobicContact CG1-CB 4.37Å; C157-V167 HydrophobicContact CB-CG1 4.14Å; C157-W169 HydrophobicContact CB-CH2 3.98Å; C157-W169 HydrophobicContact CB-CZ2 3.3Å; C157-E184 PolarHBondContact N-O 3.41Å; C157-E184 WeakPolarHBondContact O-CA 3.45Å; C157-E184 WeakPolarHBondContact O-CB 3.41Å; C157-C201 HydrophobicContact CB-CB 3.58Å; C157-C201 WeakPolarHBondContact CB-SG 3.38Å; C157-C201 WeakPolarHBondContact SG-CB 3.18Å; C157-C201 CovalentContact SG-SG 2.01Å; C157-C201 PolarHBondContact SG-SG 3.22Å
158I97.5Very high97Very high38 Ų3847.9 Ų47.920%0.19527%0.274CS..EExtended strand (participates in β ladder)trans-111.5129.3-178.1-57.9169.8000107.6V139 E140 T156V139-I158 HydrophobicContact CG2-CB 4.16Å; V139-I158 HydrophobicContact CG2-CG2 3.85Å; V139-I158 WeakPolarHBondContact CG2-O 3.38Å; V139-I158 PolarHBondContact N-O 2.96Å; E140-I158 HydrophobicContact CB-CB 4.14Å; E140-I158 HydrophobicContact CB-CD1 4.33Å; E140-I158 HydrophobicContact CB-CG1 4.5Å; E140-I158 PolarHBondContact N-O 2.82Å; E140-I158 PolarHBondContact O-N 3.48Å; T156-I158 HydrophobicContact CG2-CD1 3.97Å; T156-I158 HydrophobicContact CG2-CG1 3.87Å
159A97.8Very high96.9Very high2 Ų244.8 Ų44.82%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-123.2149.8178.300000110.7K137 I138 P165 V167 A203K137-A159 CarbonylContact O-C 3.53Å; K137-A159 VanDerWaalsContact O-CA 3.23Å; K137-A159 WeakPolarHBondContact O-CA 3.28Å; I138-A159 HydrophobicContact CG1-CB 4.33Å; A159-P165 HydrophobicContact CB-CB 4.23Å; A159-P165 HydrophobicContact CB-CG 4.3Å; A159-V167 HydrophobicContact CB-CG2 3.96Å; A159-A203 HydrophobicContact CB-CB 3.39Å
160T97.1Very high96.7Very high63 Ų6346.7 Ų46.739%0.38726%0.262SS..EExtended strand (participates in β ladder)trans-120147.7175.359.80000109.3P136 K137 V139 P165P136-T160 CarbonylContact C-O 3.49Å; P136-T160 WeakPolarHBondContact CA-O 3.5Å; K137-T160 PolarHBondContact N-O 2.83Å; K137-T160 PolarHBondContact O-N 3.16Å; V139-T160 HydrophobicContact CG1-CG2 3.76Å; V139-T160 HydrophobicContact CG2-CG2 3.96Å; T160-P165 VanDerWaalsContact C-CG 3.49Å
161G97Very high96.5Very high16 Ų1644.8 Ų44.817%0.16524%0.24CC..EExtended strand (participates in β ladder)trans179.4176.2175.900000111P163G161-P163 CarbonylContact C-O 3.58Å; G161-P163 CarbonylContact O-C 3.51Å
162R96.6Very high96.2Very high103 Ų10343 Ų4339%0.38923%0.229SC..EExtended strand (participates in β ladder)trans-138.6112.2173.1-175.4-179.3-76.9-1530.2109.3E110 V132 Q133 V134 N205E110-R162 IonicContact OE1-NH1 3.6Å; E110-R162 PolarHBondContact OE1-NH1 2.9Å; E110-R162 IonicContact OE2-CZ 2.72Å; E110-R162 IonicContact OE2-NH1 3.52Å; E110-R162 PolarHBondContact OE2-NH1 3.32Å; V132-R162 WeakPolarHBondContact O-CD 3.44Å; Q133-R162 CarbonylContact C-O 3.56Å; Q133-R162 VanDerWaalsContact CA-O 3.26Å; Q133-R162 WeakPolarHBondContact CA-O 3.28Å; V134-R162 HydrophobicContact CB-CB 3.89Å; V134-R162 HydrophobicContact CG2-CB 3.95Å; V134-R162 PolarHBondContact N-O 3.26Å; V134-R162 PolarHBondContact O-N 3.23Å; R162-N205 PolarHBondContact N-ND2 2.82Å
163P96.4Very high95.7Very high68 Ų6839.7 Ų39.744%0.44221%0.214SC..SBendcis-60.3164.70.2-22.235.3000113.8G161 N205G161-P163 CarbonylContact C-O 3.58Å; G161-P163 CarbonylContact O-C 3.51Å; P163-N205 VanDerWaalsContact O-CB 3.25Å; P163-N205 WeakPolarHBondContact O-CB 3.24Å; P163-N205 PolarHBondContact O-ND2 2.83Å
164E96.1Very high94.7Very high132 Ų13245.8 Ų45.862%0.61725%0.254SS*.PPolyproline II helixtrans-55.3127.6178.4-165.260.4-134.200109.9
165P97.1Very high93.6Very high14 Ų1452.6 Ų52.69%0.09128%0.276CS..PPolyproline II helixtrans-73.1142.2-176.6-16.931.5000113.3P136 A159 T160 A203 S204 N205P136-P165 HydrophobicContact CB-CB 3.99Å; P136-P165 HydrophobicContact CB-CG 3.84Å; A159-P165 HydrophobicContact CB-CB 4.23Å; A159-P165 HydrophobicContact CB-CG 4.3Å; T160-P165 VanDerWaalsContact C-CG 3.49Å; P165-A203 HydrophobicContact CB-CB 4.37Å; P165-S204 CarbonylContact C-O 3.53Å; P165-S204 VanDerWaalsContact CA-O 3.26Å; P165-S204 WeakPolarHBondContact CA-O 3.4Å; P165-N205 HydrophobicContact CB-CB 4.28Å; P165-N205 HydrophobicContact CG-CB 4.38Å
166T97.1Very high92.5Very high81 Ų8153.7 Ų53.750%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-80.7127.1163.8-54.10000109.2T168 A203 S204T166-T168 HydrophobicContact CG2-CG2 4.42Å; T166-A203 WeakPolarHBondContact O-CA 3.34Å; T166-S204 PolarHBondContact N-O 3.4Å; T166-S204 PolarHBondContact O-N 2.79Å
167V97.3Very high91Very high7 Ų759 Ų594%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-96.2138.6174.4174.80000109.8C157 A159 E182 E184 C201 S202 A203C157-V167 HydrophobicContact CB-CG1 4.14Å; A159-V167 HydrophobicContact CB-CG2 3.96Å; V167-E182 CarbonylContact O-C 3.59Å; V167-E182 WeakPolarHBondContact O-CA 3.1Å; V167-E184 HydrophobicContact CG2-CG 4.37Å; V167-C201 VanDerWaalsContact CG1-SG 3.57Å; V167-S202 CarbonylContact C-O 3.58Å; V167-S202 WeakPolarHBondContact CA-O 3.23Å; V167-A203 HydrophobicContact CG2-CB 4.36Å
168T96.3Very high89.3Confident38 Ų3861.8 Ų61.823%0.23335%0.347CS..EExtended strand (participates in β ladder)trans-135.5135.417854.30000110.7T166 S181 E182 C201 S202T166-T168 HydrophobicContact CG2-CG2 4.42Å; T168-S181 CarbonylContact C-O 3.44Å; T168-S181 VanDerWaalsContact CA-O 3.27Å; T168-S181 WeakPolarHBondContact CA-O 3.02Å; T168-E182 HydrophobicContact CG2-CG 4.15Å; T168-C201 CarbonylContact O-C 3.59Å; T168-C201 WeakPolarHBondContact O-CA 3.26Å; T168-S202 PolarHBondContact N-O 3.21Å; T168-S202 PolarHBondContact O-N 2.8Å; T168-S202 WeakPolarHBondContact OG1-CB 3.05Å; T168-S202 PolarHBondContact OG1-O 2.73Å; T168-S202 VanDerWaalsContact OG1-O 3.04Å
169W96.5Very high88.1Confident0 Ų063 Ų630%035%0.351CS..EExtended strand (participates in β ladder)trans-106143.4174.3-75.499.5000111.5I141 L155 C157 V180 S181 D183 E184 L186 E200 C201 V215I141-W169 HydrophobicContact CD1-CH2 4.31Å; I141-W169 HydrophobicContact CG1-CH2 4.22Å; L155-W169 HydrophobicContact CB-CH2 3.78Å; L155-W169 HydrophobicContact CB-CZ2 3.84Å; L155-W169 HydrophobicContact CB-CZ3 4.35Å; L155-W169 HydrophobicContact CD1-CH2 4.36Å; L155-W169 HydrophobicContact CD1-CZ3 4.16Å; C157-W169 HydrophobicContact CB-CH2 3.98Å; C157-W169 HydrophobicContact CB-CZ2 3.3Å; W169-V180 VanDerWaalsContact O-CA 3.3Å; W169-V180 WeakPolarHBondContact O-CA 3.48Å; W169-S181 PolarHBondContact N-O 2.9Å; W169-S181 PolarHBondContact O-N 3.26Å; W169-D183 PolarHBondContact NE1-O 2.93Å; W169-E184 PolarHBondContact NE1-O 2.87Å; W169-L186 HydrophobicContact CB-CB 4.31Å; W169-L186 HydrophobicContact CB-CD2 4.12Å; W169-L186 HydrophobicContact CD2-CB 4.09Å; W169-L186 HydrophobicContact CD2-CD2 4.41Å; W169-L186 HydrophobicContact CG-CB 3.83Å; W169-L186 HydrophobicContact CG-CD2 4.28Å; W169-E200 CarbonylContact C-O 3.52Å; W169-E200 WeakPolarHBondContact CA-O 3.25Å; W169-C201 HydrophobicContact CD2-CB 4.08Å; W169-C201 HydrophobicContact CE3-CB 3.88Å; W169-C201 HydrophobicContact CH2-CB 3.93Å; W169-C201 HydrophobicContact CZ2-CB 4.13Å; W169-C201 HydrophobicContact CZ3-CB 3.79Å; W169-V215 HydrophobicContact CH2-CG2 4.04Å; W169-V215 HydrophobicContact CZ3-CG2 4.16Å
170R93.6Very high87.2Confident109 Ų10967.3 Ų67.341%0.41138%0.377SS..EExtended strand (participates in β ladder)trans-144.1134.1175.2-171.7172.962.692.4-1.6111.2I172 Y199 E200R170-I172 HydrophobicContact CB-CG2 4.32Å; R170-I172 HydrophobicContact CG-CG2 4.22Å; R170-I172 VanDerWaalsContact NH2-CG2 3.28Å; R170-I172 WeakPolarHBondContact O-CG2 2.94Å; R170-I172 PolarHBondContact O-N 2.85Å; R170-Y199 CarbonylContact O-C 3.52Å; R170-Y199 WeakPolarHBondContact O-CA 3.38Å; R170-E200 IonicContact CZ-OE1 3.38Å; R170-E200 PolarHBondContact N-O 2.91Å; R170-E200 IonicContact NE-OE1 2.91Å; R170-E200 IonicContact NH2-OE1 2.84Å; R170-E200 PolarHBondContact NH2-OE1 2.8Å; R170-E200 PolarHBondContact O-N 2.84Å
171H93.1Very high86.7Confident8 Ų865.4 Ų65.44%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-79.7117.3166.3-172.9-148.1000109S173 A176 F179 Q195 S196 D198 Y199H171-S173 PolarHBondContact NE2-OG 3.27Å; H171-A176 HydrophobicContact CB-CB 4.05Å; H171-A176 WeakPolarHBondContact ND1-CB 3.35Å; H171-F179 HydrophobicContact CB-CD1 4.12Å; H171-F179 HydrophobicContact CB-CE1 3.4Å; H171-F179 VanDerWaalsContact CB-CE1 3.4Å; H171-F179 HydrophobicContact CB-CZ 3.76Å; H171-Q195 PolarHBondContact CE1-O 2.74Å; H171-Q195 PolarHBondContact NE2-O 2.81Å; H171-S196 PolarHBondContact NE2-O 2.01Å; H171-D198 PolarHBondContact CD2-O 2.88Å; H171-D198 VanDerWaalsContact CD2-O 3.26Å; H171-Y199 HydrophobicContact CB-CD1 4.49Å; H171-Y199 HydrophobicContact CB-CE1 4.42Å; H171-Y199 AromaticContact CD2-CD2 3.77Å; H171-Y199 AromaticContact CD2-CE2 3.48Å; H171-Y199 VanDerWaalsContact CD2-CE2 3.48Å; H171-Y199 WeakPolarHBondContact CD2-CE2 3.06Å; H171-Y199 AromaticContact CD2-CZ 3.8Å; H171-Y199 AromaticContact NE2-CE2 3.76Å
172I91Very high86.3Confident36 Ų3671.3 Ų71.319%0.18539%0.389CS..  trans-102.27.3-168.468.5167.2000113.3R170 D198 E200 R214R170-I172 HydrophobicContact CB-CG2 4.32Å; R170-I172 HydrophobicContact CG-CG2 4.22Å; R170-I172 VanDerWaalsContact NH2-CG2 3.28Å; R170-I172 WeakPolarHBondContact O-CG2 2.94Å; R170-I172 PolarHBondContact O-N 2.85Å; I172-D198 HydrophobicContact CD1-CB 3.99Å; I172-D198 HydrophobicContact CG1-CB 3.73Å; I172-D198 VanDerWaalsContact CG1-O 3.28Å; I172-D198 WeakPolarHBondContact CG1-O 3.47Å; I172-D198 PolarHBondContact N-O 2.83Å; I172-E200 HydrophobicContact CD1-CB 4.39Å; I172-E200 HydrophobicContact CG2-CB 3.48Å; I172-E200 VanDerWaalsContact CG2-CB 3.48Å; I172-E200 HydrophobicContact CG2-CG 4.49Å; I172-R214 HydrophobicContact CD1-CG 4.37Å; I172-R214 VanDerWaalsContact CD1-CZ 3.47Å
173S85.3Confident86.1Confident22 Ų2271.4 Ų71.415%0.15440%0.397CS..SBendtrans-72.3143.1-177.7-610000110.8H171 K175 A176 G197 D198H171-S173 PolarHBondContact NE2-OG 3.27Å; S173-K175 PolarHBondContact O-N 2.86Å; S173-A176 WeakPolarHBondContact O-CB 3.36Å; S173-A176 PolarHBondContact O-N 2.81Å; S173-G197 WeakPolarHBondContact OG-CA 3.31Å; S173-D198 PolarHBondContact OG-N 3.45Å
174P76.3Confident85.9Confident139 Ų13971.6 Ų71.690%0.90339%0.393SS*.THydrogen-bonded Turntrans-59.1-22.9-172.3-26.433.9000115.7
175K72Confident85.9Confident202 Ų20270.9 Ų70.988%0.87839%0.385SS*.THydrogen-bonded Turntrans-101.72.3179.4-63.3-175.4178.5-177.90113.2S173S173-K175 PolarHBondContact O-N 2.86Å
176A72.9Confident85.8Confident26 Ų2670.6 Ų70.622%0.21538%0.383CS..  trans-67.5132.8-179.800000110.7H171 S173 G178H171-A176 HydrophobicContact CB-CB 4.05Å; H171-A176 WeakPolarHBondContact ND1-CB 3.35Å; S173-A176 WeakPolarHBondContact O-CB 3.36Å; S173-A176 PolarHBondContact O-N 2.81Å; A176-G178 PolarHBondContact O-N 3.48Å
177V65.9Low85.6Confident134 Ų13473 Ų7381%0.81239%0.388SS*.  trans-71111.4157-177.10000105F179V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 2.98Å
178G61.9Low85.5Confident60 Ų6073.3 Ų73.362%0.61939%0.389SS*.  trans-62.286.9-173.300000111.7A176A176-G178 PolarHBondContact O-N 3.48Å
179F73Confident85.4Confident62 Ų6277.4 Ų77.427%0.27241%0.406SS..  trans-84.4143.1166.273.8-93.4000108.4H171 V177 L186 I188 Y199H171-F179 HydrophobicContact CB-CD1 4.12Å; H171-F179 HydrophobicContact CB-CE1 3.4Å; H171-F179 VanDerWaalsContact CB-CE1 3.4Å; H171-F179 HydrophobicContact CB-CZ 3.76Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 2.98Å; F179-L186 HydrophobicContact CD2-CD1 4.37Å; F179-L186 HydrophobicContact CE2-CD1 3.65Å; F179-L186 HydrophobicContact CE2-CD2 3.75Å; F179-L186 HydrophobicContact CE2-CG 4.35Å; F179-L186 HydrophobicContact CZ-CD2 4Å; F179-I188 HydrophobicContact CZ-CD1 4.2Å; F179-Y199 HydrophobicContact CE1-CE1 4.29Å; F179-Y199 HydrophobicContact CZ-CD1 4.11Å; F179-Y199 AromaticContact CZ-CE1 3.59Å; F179-Y199 HydrophobicContact CZ-CE1 3.59Å
180V78.4Confident85.4Confident93 Ų9379 Ų7956%0.56442%0.422SS*.EExtended strand (participates in β ladder)trans-124.7132.9175.6-178.80000107W169W169-V180 VanDerWaalsContact O-CA 3.3Å; W169-V180 WeakPolarHBondContact O-CA 3.48Å
181S87.1Confident85.5Confident23 Ų2373.8 Ų73.816%0.16140%0.403CS..EExtended strand (participates in β ladder)trans-122136.2172.7158.90000108T168 W169T168-S181 CarbonylContact C-O 3.44Å; T168-S181 VanDerWaalsContact CA-O 3.27Å; T168-S181 WeakPolarHBondContact CA-O 3.02Å; W169-S181 PolarHBondContact N-O 2.9Å; W169-S181 PolarHBondContact O-N 3.26Å
182E89Confident85.5Confident141 Ų14175.9 Ų75.966%0.65942%0.416SS*.  trans-106.249-178.2-57.6-167.516500111V167 T168V167-E182 CarbonylContact O-C 3.59Å; V167-E182 WeakPolarHBondContact O-CA 3.1Å; T168-E182 HydrophobicContact CG2-CG 4.15Å
183D91.1Very high85.7Confident104 Ų10477.5 Ų77.556%0.55642%0.42SS*.SBendtrans-133.6155.4179.5-69.6-63.1000110.2W169 Y185W169-D183 PolarHBondContact NE1-O 2.93Å; D183-Y185 WeakPolarHBondContact CB-O 3.48Å; D183-Y185 PolarHBondContact O-N 2.98Å
184E93.9Very high86Confident73 Ų7382.7 Ų82.734%0.34144%0.442SS..SBendtrans-61.3-27.2171.9-64.3-173.9151.200111.8T156 C157 V167 W169T156-E184 CarbonylContact C-O 3.1Å; T156-E184 WeakPolarHBondContact CA-O 3.32Å; C157-E184 PolarHBondContact N-O 3.41Å; C157-E184 WeakPolarHBondContact O-CA 3.45Å; C157-E184 WeakPolarHBondContact O-CB 3.41Å; V167-E184 HydrophobicContact CG2-CG 4.37Å; W169-E184 PolarHBondContact NE1-O 2.87Å
185Y94.8Very high86.8Confident117 Ų11778.5 Ų78.546%0.45941%0.41SS..EExtended strand (participates in β ladder)trans-111.4127.3-178.8-58.5-88.1000110.9L155 T156 D183L155-Y185 CarbonylContact O-C 3.48Å; L155-Y185 VanDerWaalsContact O-CA 3.28Å; L155-Y185 WeakPolarHBondContact O-CA 3.27Å; T156-Y185 HydrophobicContact CG2-CD1 4.12Å; T156-Y185 HydrophobicContact CG2-CE1 3.66Å; T156-Y185 WeakPolarHBondContact OG1-CD1 3.37Å; T156-Y185 WeakPolarHBondContact OG1-CE1 3.27Å; D183-Y185 WeakPolarHBondContact CB-O 3.48Å; D183-Y185 PolarHBondContact O-N 2.98Å
186L94.8Very high87.8Confident8 Ų870.7 Ų70.74%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-103.4107.4168.3175.364.8000109.7S154 L155 W169 F179 I188 Y199S154-L186 CarbonylContact C-O 3.59Å; S154-L186 WeakPolarHBondContact CA-O 3.46Å; L155-L186 HydrophobicContact CB-CB 4.31Å; L155-L186 HydrophobicContact CD1-CD2 4.28Å; L155-L186 PolarHBondContact N-O 2.81Å; L155-L186 PolarHBondContact O-N 2.99Å; W169-L186 HydrophobicContact CB-CB 4.31Å; W169-L186 HydrophobicContact CB-CD2 4.12Å; W169-L186 HydrophobicContact CD2-CB 4.09Å; W169-L186 HydrophobicContact CD2-CD2 4.41Å; W169-L186 HydrophobicContact CG-CB 3.83Å; W169-L186 HydrophobicContact CG-CD2 4.28Å; F179-L186 HydrophobicContact CD2-CD1 4.37Å; F179-L186 HydrophobicContact CE2-CD1 3.65Å; F179-L186 HydrophobicContact CE2-CD2 3.75Å; F179-L186 HydrophobicContact CE2-CG 4.35Å; F179-L186 HydrophobicContact CZ-CD2 4Å; L186-I188 HydrophobicContact CD1-CG1 4.4Å; L186-I188 HydrophobicContact CD2-CD1 4.08Å; L186-I188 HydrophobicContact CG-CD1 4.25Å; L186-I188 HydrophobicContact CG-CG1 4.25Å; L186-Y199 HydrophobicContact CD2-CD1 3.57Å; L186-Y199 HydrophobicContact CD2-CE1 3.76Å
187E94.2Very high88.9Confident130 Ų13070.1 Ų70.161%0.60738%0.378SS*.EExtended strand (participates in β ladder)trans-96.5126.9174.9-61.7-168.9170.400111.4I153I153-E187 WeakPolarHBondContact O-CA 3.3Å
188I93.7Very high90.2Very high14 Ų1467 Ų677%0.07236%0.356CS..EExtended strand (participates in β ladder)trans-123.9118.2174.2-62.5168.7000108N152 I153 F179 L186 I191 Y199N152-I188 CarbonylContact C-O 3.58Å; N152-I188 VanDerWaalsContact CA-O 3.28Å; N152-I188 WeakPolarHBondContact CA-O 3.32Å; I153-I188 HydrophobicContact CD1-CB 4.38Å; I153-I188 HydrophobicContact CD1-CD1 4.09Å; I153-I188 HydrophobicContact CG1-CB 3.74Å; I153-I188 HydrophobicContact CG1-CD1 4.37Å; I153-I188 HydrophobicContact CG1-CG1 4.41Å; I153-I188 PolarHBondContact N-O 2.85Å; I153-I188 PolarHBondContact O-N 3.22Å; F179-I188 HydrophobicContact CZ-CD1 4.2Å; L186-I188 HydrophobicContact CD1-CG1 4.4Å; L186-I188 HydrophobicContact CD2-CD1 4.08Å; L186-I188 HydrophobicContact CG-CD1 4.25Å; L186-I188 HydrophobicContact CG-CG1 4.25Å; I188-I191 HydrophobicContact CG2-CB 4.08Å; I188-I191 HydrophobicContact CG2-CG1 4.16Å; I188-Y199 HydrophobicContact CD1-CE1 3.65Å
189Q95.2Very high91.8Very high124 Ų12464.1 Ų64.158%0.57933%0.327SS*.SBendtrans-89.7131.6177-57.4-67.1-39.600109.1N152N152-Q189 PolarHBondContact ND2-OE1 3.47Å; N152-Q189 WeakPolarHBondContact OD1-CA 3.45Å; N152-Q189 PolarHBondContact OD1-OE1 3.28Å
190G95.9Very high93Very high33 Ų3362.2 Ų62.234%0.3432%0.319SS..SBendtrans57.856.5175.800000114.1N152 T192N152-G190 PolarHBondContact OD1-N 2.75Å; G190-T192 PolarHBondContact O-N 3Å
191I95.3Very high93.9Very high0 Ų057.8 Ų57.80%029%0.292CS..  trans-57133.3-173.3-165.9168.1000112.7I147 G150 N151 I153 I188 Q195 V217 V219I147-I191 HydrophobicContact CG2-CG2 3.96Å; G150-I191 PolarHBondContact N-O 2.82Å; N151-I191 VanDerWaalsContact O-CG2 3.31Å; N151-I191 WeakPolarHBondContact O-CG2 3.41Å; N151-I191 PolarHBondContact O-N 3.42Å; I153-I191 HydrophobicContact CD1-CD1 3.63Å; I153-I191 HydrophobicContact CG1-CD1 4.16Å; I188-I191 HydrophobicContact CG2-CB 4.08Å; I188-I191 HydrophobicContact CG2-CG1 4.16Å; I191-Q195 HydrophobicContact CD1-CB 4.37Å; I191-Q195 HydrophobicContact CG1-CB 3.91Å; I191-V217 HydrophobicContact CD1-CG1 3.65Å; I191-V219 HydrophobicContact CD1-CG2 3.67Å; I191-V219 HydrophobicContact CG1-CG2 3.86Å; I191-V219 HydrophobicContact CG2-CG1 4.36Å; I191-V219 HydrophobicContact CG2-CG2 4.29Å
192T94.8Very high94.3Very high53 Ų5357.7 Ų57.733%0.32529%0.291SS..  trans-98.9158.9177.883.90000111.8G190 E194 Q195G190-T192 PolarHBondContact O-N 3Å; T192-E194 WeakPolarHBondContact CB-OE2 3.39Å; T192-E194 PolarHBondContact O-N 2.92Å; T192-E194 PolarHBondContact OG1-N 2.8Å; T192-E194 PolarHBondContact OG1-OE2 2.8Å; T192-Q195 WeakPolarHBondContact O-CB 3.42Å; T192-Q195 PolarHBondContact O-N 3.04Å
193R93.5Very high94.8Very high70 Ų7051 Ų5126%0.26426%0.26SS..G310 helixtrans-59.8-26.6177.367-171.868.3-1750.6114.2E149 Q195 S196 Y221E149-R193 WeakPolarHBondContact OE1-CB 3.43Å; E149-R193 WeakPolarHBondContact OE1-CG 2.91Å; E149-R193 IonicContact OE1-CZ 3.56Å; E149-R193 PolarHBondContact OE1-N 3.22Å; E149-R193 VanDerWaalsContact OE1-N 3.12Å; E149-R193 IonicContact OE1-NE 3.56Å; E149-R193 PolarHBondContact OE1-NE 3.08Å; E149-R193 IonicContact OE1-NH2 2.71Å; E149-R193 IonicContact OE2-CZ 2.87Å; E149-R193 IonicContact OE2-NE 2.98Å; E149-R193 IonicContact OE2-NH2 2.74Å; E149-R193 PolarHBondContact OE2-NH2 2.82Å; R193-Q195 PolarHBondContact O-N 2.99Å; R193-S196 WeakPolarHBondContact O-CB 3.25Å; R193-S196 PolarHBondContact O-N 3.07Å; R193-Y221 HydrophobicContact CB-CD1 3.63Å; R193-Y221 HydrophobicContact CB-CE1 3.72Å; R193-Y221 HydrophobicContact CB-CG 4.34Å; R193-Y221 VanDerWaalsContact CZ-CD2 3.44Å; R193-Y221 VanDerWaalsContact NH1-CD2 3.3Å
194E91.8Very high95.1Very high131 Ų13147.5 Ų47.561%0.61224%0.244SC*.G310 helixtrans-69.3-23.1176.3-62.370.1-14900112.4T192 S196T192-E194 WeakPolarHBondContact CB-OE2 3.39Å; T192-E194 PolarHBondContact O-N 2.92Å; T192-E194 PolarHBondContact OG1-N 2.8Å; T192-E194 PolarHBondContact OG1-OE2 2.8Å; E194-S196 VanDerWaalsContact C-N 3.32Å
195Q92.6Very high95.2Very high50 Ų5044.6 Ų44.623%0.23423%0.231CC..G310 helixtrans-85-5.2176.1-61.8175.8-59.700112.1H171 I191 T192 R193 Y199H171-Q195 PolarHBondContact CE1-O 2.74Å; H171-Q195 PolarHBondContact NE2-O 2.81Å; I191-Q195 HydrophobicContact CD1-CB 4.37Å; I191-Q195 HydrophobicContact CG1-CB 3.91Å; T192-Q195 WeakPolarHBondContact O-CB 3.42Å; T192-Q195 PolarHBondContact O-N 3.04Å; R193-Q195 PolarHBondContact O-N 2.99Å; Q195-Y199 VanDerWaalsContact O-CE2 3.32Å; Q195-Y199 WeakPolarHBondContact O-CE2 3.26Å; Q195-Y199 PolarHBondContact O-OH 3.45Å
196S94.6Very high95.2Very high38 Ų3846.5 Ų46.527%0.26625%0.249SC..  trans-62.4141.1172.4-165.40000111.3H171 R193 E194 V217 T218 V219H171-S196 PolarHBondContact NE2-O 2.01Å; R193-S196 WeakPolarHBondContact O-CB 3.25Å; R193-S196 PolarHBondContact O-N 3.07Å; E194-S196 VanDerWaalsContact C-N 3.32Å; S196-V217 WeakPolarHBondContact CA-O 3.4Å; S196-V217 PolarHBondContact OG-O 3.36Å; S196-T218 WeakPolarHBondContact OG-CA 3.16Å; S196-V219 PolarHBondContact OG-N 3.06Å; S196-V219 VanDerWaalsContact OG-N 3.16Å
197G94.6Very high95.3Very high14 Ų1447 Ų4714%0.14425%0.252CS..EExtended strand (participates in β ladder)trans144.5-157.117400000112.8S173 Y199 V217S173-G197 WeakPolarHBondContact OG-CA 3.31Å; G197-Y199 WeakPolarHBondContact O-CD2 3.4Å; G197-V217 PolarHBondContact N-O 3.44Å; G197-V217 PolarHBondContact O-N 2.89Å
198D95.1Very high95.3Very high68 Ų6842.1 Ų42.136%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-91.3134.4-177.7-60.1-63.7000111.2H171 I172 S173H171-D198 PolarHBondContact CD2-O 2.88Å; H171-D198 VanDerWaalsContact CD2-O 3.26Å; I172-D198 HydrophobicContact CD1-CB 3.99Å; I172-D198 HydrophobicContact CG1-CB 3.73Å; I172-D198 VanDerWaalsContact CG1-O 3.28Å; I172-D198 WeakPolarHBondContact CG1-O 3.47Å; I172-D198 PolarHBondContact N-O 2.83Å; S173-D198 PolarHBondContact OG-N 3.45Å
199Y95.4Very high95.4Very high0 Ų045.4 Ų45.40%026%0.263CS..EExtended strand (participates in β ladder)trans-115.4132.3177.4-71.2-116.1000108.2L155 R170 H171 F179 L186 I188 Q195 G197 R214 V215 V217L155-Y199 HydrophobicContact CD1-CD1 3.92Å; L155-Y199 HydrophobicContact CD1-CE1 4.46Å; L155-Y199 HydrophobicContact CD1-CG 4Å; R170-Y199 CarbonylContact O-C 3.52Å; R170-Y199 WeakPolarHBondContact O-CA 3.38Å; H171-Y199 HydrophobicContact CB-CD1 4.49Å; H171-Y199 HydrophobicContact CB-CE1 4.42Å; H171-Y199 AromaticContact CD2-CD2 3.77Å; H171-Y199 AromaticContact CD2-CE2 3.48Å; H171-Y199 VanDerWaalsContact CD2-CE2 3.48Å; H171-Y199 WeakPolarHBondContact CD2-CE2 3.06Å; H171-Y199 AromaticContact CD2-CZ 3.8Å; H171-Y199 AromaticContact NE2-CE2 3.76Å; F179-Y199 HydrophobicContact CE1-CE1 4.29Å; F179-Y199 HydrophobicContact CZ-CD1 4.11Å; F179-Y199 AromaticContact CZ-CE1 3.59Å; F179-Y199 HydrophobicContact CZ-CE1 3.59Å; L186-Y199 HydrophobicContact CD2-CD1 3.57Å; L186-Y199 HydrophobicContact CD2-CE1 3.76Å; I188-Y199 HydrophobicContact CD1-CE1 3.65Å; Q195-Y199 VanDerWaalsContact O-CE2 3.32Å; Q195-Y199 WeakPolarHBondContact O-CE2 3.26Å; Q195-Y199 PolarHBondContact O-OH 3.45Å; G197-Y199 WeakPolarHBondContact O-CD2 3.4Å; Y199-R214 CarbonylContact O-C 3.52Å; Y199-R214 WeakPolarHBondContact O-CA 3.46Å; Y199-V215 PolarHBondContact N-O 2.86Å; Y199-V215 PolarHBondContact O-N 3.15Å; Y199-V217 HydrophobicContact CD2-CB 3.93Å; Y199-V217 HydrophobicContact CD2-CG2 3.48Å; Y199-V217 VanDerWaalsContact CD2-CG2 3.48Å; Y199-V217 HydrophobicContact CE2-CB 3.59Å; Y199-V217 HydrophobicContact CE2-CG1 4.36Å; Y199-V217 HydrophobicContact CE2-CG2 3.52Å; Y199-V217 HydrophobicContact CG-CG2 4.2Å
200E96.3Very high95.5Very high22 Ų2242.7 Ų42.710%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-110.8123.9-178.8-173.8170.979.300109.3W169 R170 I172 V212 R213 R214W169-E200 CarbonylContact C-O 3.52Å; W169-E200 WeakPolarHBondContact CA-O 3.25Å; R170-E200 IonicContact CZ-OE1 3.38Å; R170-E200 PolarHBondContact N-O 2.91Å; R170-E200 IonicContact NE-OE1 2.91Å; R170-E200 IonicContact NH2-OE1 2.84Å; R170-E200 PolarHBondContact NH2-OE1 2.8Å; R170-E200 PolarHBondContact O-N 2.84Å; I172-E200 HydrophobicContact CD1-CB 4.39Å; I172-E200 HydrophobicContact CG2-CB 3.48Å; I172-E200 VanDerWaalsContact CG2-CB 3.48Å; I172-E200 HydrophobicContact CG2-CG 4.49Å; E200-V212 HydrophobicContact CG-CB 4.27Å; E200-R213 CarbonylContact C-O 3.57Å; E200-R213 WeakPolarHBondContact CA-O 3.35Å; E200-R214 HydrophobicContact CB-CG 4.22Å; E200-R214 HydrophobicContact CG-CG 4.23Å; E200-R214 IonicContact OE2-CZ 3.79Å; E200-R214 IonicContact OE2-NE 3.96Å; E200-R214 PolarHBondContact OE2-NE 2.94Å; E200-R214 IonicContact OE2-NH2 3.66Å; E200-R214 PolarHBondContact OE2-NH2 3.39Å
201C97.4Very high95.6Very high0 Ų043.5 Ų43.50%026%0.255CS..EExtended strand (participates in β ladder)trans-93.3132.3163.8172.10000109I141 C157 V167 T168 W169 V212 R213I141-C201 HydrophobicContact CD1-CB 4.03Å; C157-C201 HydrophobicContact CB-CB 3.58Å; C157-C201 WeakPolarHBondContact CB-SG 3.38Å; C157-C201 WeakPolarHBondContact SG-CB 3.18Å; C157-C201 CovalentContact SG-SG 2.01Å; C157-C201 PolarHBondContact SG-SG 3.22Å; V167-C201 VanDerWaalsContact CG1-SG 3.57Å; T168-C201 CarbonylContact O-C 3.59Å; T168-C201 WeakPolarHBondContact O-CA 3.26Å; W169-C201 HydrophobicContact CD2-CB 4.08Å; W169-C201 HydrophobicContact CE3-CB 3.88Å; W169-C201 HydrophobicContact CH2-CB 3.93Å; W169-C201 HydrophobicContact CZ2-CB 4.13Å; W169-C201 HydrophobicContact CZ3-CB 3.79Å; C201-V212 CarbonylContact O-C 3.52Å; C201-V212 VanDerWaalsContact O-CA 3.27Å; C201-V212 WeakPolarHBondContact O-CA 3.22Å; C201-R213 PolarHBondContact N-O 2.87Å; C201-R213 PolarHBondContact O-N 3.3Å
202S97.3Very high95.7Very high22 Ų2247.1 Ų47.115%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-125.2127.5175.1171.40000110.2V167 T168 P210 V211V167-S202 CarbonylContact C-O 3.58Å; V167-S202 WeakPolarHBondContact CA-O 3.23Å; T168-S202 PolarHBondContact N-O 3.21Å; T168-S202 PolarHBondContact O-N 2.8Å; T168-S202 WeakPolarHBondContact OG1-CB 3.05Å; T168-S202 PolarHBondContact OG1-O 2.73Å; T168-S202 VanDerWaalsContact OG1-O 3.04Å; S202-P210 WeakPolarHBondContact OG-CB 3.36Å; S202-V211 WeakPolarHBondContact CA-O 3.35Å
203A98.1Very high95.8Very high0 Ų049.6 Ų49.60%028%0.28CS..EExtended strand (participates in β ladder)trans-114.1128.1176.400000111.1P136 I138 A159 P165 T166 V167 P210 V211P136-A203 HydrophobicContact CB-CB 4.46Å; I138-A203 HydrophobicContact CD1-CB 4.46Å; I138-A203 HydrophobicContact CG1-CB 3.98Å; A159-A203 HydrophobicContact CB-CB 3.39Å; P165-A203 HydrophobicContact CB-CB 4.37Å; T166-A203 WeakPolarHBondContact O-CA 3.34Å; V167-A203 HydrophobicContact CG2-CB 4.36Å; A203-P210 VanDerWaalsContact O-CA 3.31Å; A203-P210 WeakPolarHBondContact O-CA 3.23Å; A203-V211 PolarHBondContact N-O 2.78Å; A203-V211 PolarHBondContact O-N 2.74Å
204S97.1Very high96Very high30 Ų3053.6 Ų53.621%0.2130%0.295CS..EExtended strand (participates in β ladder)trans-136.9143.8-178.6-1710000112.1P165 T166P165-S204 CarbonylContact C-O 3.53Å; P165-S204 VanDerWaalsContact CA-O 3.26Å; P165-S204 WeakPolarHBondContact CA-O 3.4Å; T166-S204 PolarHBondContact N-O 3.4Å; T166-S204 PolarHBondContact O-N 2.79Å
205N96.7Very high96.2Very high13 Ų1347.3 Ų47.37%0.0727%0.266CS..  trans-138.522.117070.5-8.2000112.6V134 P136 R162 P163 P165 V207V134-N205 PolarHBondContact O-ND2 3.16Å; P136-N205 VanDerWaalsContact CD-OD1 3.24Å; P136-N205 WeakPolarHBondContact CD-OD1 3.23Å; R162-N205 PolarHBondContact N-ND2 2.82Å; P163-N205 VanDerWaalsContact O-CB 3.25Å; P163-N205 WeakPolarHBondContact O-CB 3.24Å; P163-N205 PolarHBondContact O-ND2 2.83Å; P165-N205 HydrophobicContact CB-CB 4.28Å; P165-N205 HydrophobicContact CG-CB 4.38Å; N205-V207 PolarHBondContact O-N 2.99Å; N205-V207 VanDerWaalsContact OD1-CB 3.23Å; N205-V207 WeakPolarHBondContact OD1-CB 3.37Å; N205-V207 WeakPolarHBondContact OD1-CG2 3.37Å; N205-V207 PolarHBondContact OD1-N 3.22Å
206D95.6Very high96.4Very high156 Ų15649.7 Ų49.783%0.83428%0.275SS*.SBendtrans59.40.2-178.7-55.2-36.4000116.2
207V95.6Very high96.5Very high19 Ų1947.9 Ų47.912%0.11526%0.263CS..SBendtrans-74.8-34.4173.8179.80000110.4R48 Q133 N205R48-V207 HydrophobicContact CG-CG1 4.2Å; R48-V207 PolarHBondContact NH2-O 2.67Å; Q133-V207 HydrophobicContact CB-CB 4.45Å; Q133-V207 HydrophobicContact CB-CG1 3.83Å; Q133-V207 HydrophobicContact CB-CG2 3.7Å; Q133-V207 HydrophobicContact CG-CG2 4.04Å; N205-V207 PolarHBondContact O-N 2.99Å; N205-V207 VanDerWaalsContact OD1-CB 3.23Å; N205-V207 WeakPolarHBondContact OD1-CB 3.37Å; N205-V207 WeakPolarHBondContact OD1-CG2 3.37Å; N205-V207 PolarHBondContact OD1-N 3.22Å
208A94.7Very high96.6Very high28 Ų2849 Ų4923%0.23127%0.267CS..SBendtrans-143.1173.9-17500000111.3R48R48-A208 VanDerWaalsContact NH2-CA 3.25Å
209A96.3Very high96.8Very high82 Ų8245.8 Ų45.868%0.67825%0.25SC*.SBendtrans-56.814316400000110
210P96.8Very high96.9Very high68 Ų6846.1 Ų46.144%0.44225%0.251SS..PPolyproline II helixtrans-57.3142179.3-24.433.3000112.2S202 A203S202-P210 WeakPolarHBondContact OG-CB 3.36Å; A203-P210 VanDerWaalsContact O-CA 3.31Å; A203-P210 WeakPolarHBondContact O-CA 3.23Å
211V97.9Very high97Very high50 Ų5046.1 Ų46.130%0.30325%0.251SS..EExtended strand (participates in β ladder)trans-91.5130.7172.5177.60000108.5P136 I138 S202 A203P136-V211 HydrophobicContact CG-CG2 4.39Å; P136-V211 VanDerWaalsContact O-CG2 3.25Å; P136-V211 WeakPolarHBondContact O-CG2 3.33Å; I138-V211 HydrophobicContact CD1-CG1 4.13Å; I138-V211 WeakPolarHBondContact CD1-O 3.46Å; I138-V211 HydrophobicContact CG1-CG1 4.15Å; S202-V211 WeakPolarHBondContact CA-O 3.35Å; A203-V211 PolarHBondContact N-O 2.78Å; A203-V211 PolarHBondContact O-N 2.74Å
212V97.5Very high97Very high76 Ų7648.7 Ų48.746%0.46127%0.267SS..EExtended strand (participates in β ladder)trans-118.7142.5-176.5-59.80000111.8E200 C201E200-V212 HydrophobicContact CG-CB 4.27Å; C201-V212 CarbonylContact O-C 3.52Å; C201-V212 VanDerWaalsContact O-CA 3.27Å; C201-V212 WeakPolarHBondContact O-CA 3.22Å
213R97.8Very high97Very high104 Ų10448.1 Ų48.139%0.39226%0.263SS..EExtended strand (participates in β ladder)trans-140.9157.4168.5-74.4-167.7-175.71578.4110.2I138 I141 E200 C201I138-R213 HydrophobicContact CD1-CB 4.04Å; I138-R213 HydrophobicContact CD1-CG 4Å; I138-R213 VanDerWaalsContact O-CZ 3.26Å; I138-R213 PolarHBondContact O-NH1 3.16Å; I138-R213 VanDerWaalsContact O-NH1 3.16Å; I138-R213 PolarHBondContact O-NH2 2.92Å; I141-R213 HydrophobicContact CD1-CB 3.45Å; I141-R213 VanDerWaalsContact CD1-CB 3.45Å; E200-R213 CarbonylContact C-O 3.57Å; E200-R213 WeakPolarHBondContact CA-O 3.35Å; C201-R213 PolarHBondContact N-O 2.87Å; C201-R213 PolarHBondContact O-N 3.3Å
214R96.3Very high96.9Very high154 Ų15454.9 Ų54.958%0.58129%0.289SS*.EExtended strand (participates in β ladder)trans-124.6147.9-173.8-65.2177-178-179.41.3111.8I172 Y199 E200I172-R214 HydrophobicContact CD1-CG 4.37Å; I172-R214 VanDerWaalsContact CD1-CZ 3.47Å; Y199-R214 CarbonylContact O-C 3.52Å; Y199-R214 WeakPolarHBondContact O-CA 3.46Å; E200-R214 HydrophobicContact CB-CG 4.22Å; E200-R214 HydrophobicContact CG-CG 4.23Å; E200-R214 IonicContact OE2-CZ 3.79Å; E200-R214 IonicContact OE2-NE 3.96Å; E200-R214 PolarHBondContact OE2-NE 2.94Å; E200-R214 IonicContact OE2-NH2 3.66Å; E200-R214 PolarHBondContact OE2-NH2 3.39Å
215V96.9Very high96.9Very high0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-129.6129176.1-174.20000108.2I141 S142 S143 L155 W169 Y199I141-V215 HydrophobicContact CD1-CG2 3.65Å; I141-V215 HydrophobicContact CG1-CG2 3.67Å; S142-V215 WeakPolarHBondContact O-CG2 3.33Å; S143-V215 WeakPolarHBondContact O-CG1 3.44Å; L155-V215 HydrophobicContact CD2-CG1 4.28Å; W169-V215 HydrophobicContact CH2-CG2 4.04Å; W169-V215 HydrophobicContact CZ3-CG2 4.16Å; Y199-V215 PolarHBondContact N-O 2.86Å; Y199-V215 PolarHBondContact O-N 3.15Å
216K96.8Very high96.9Very high100 Ų10057.2 Ų57.244%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-91.1124.2175.1-171.9179-179.8-175.40110.7D144 I145D144-K216 WeakPolarHBondContact CA-O 3.25Å; D144-K216 HydrophobicContact CB-CB 4.21Å; D144-K216 WeakPolarHBondContact OD1-CB 3.39Å; D144-K216 PolarHBondContact OD1-N 3.46Å; I145-K216 PolarHBondContact N-O 2.79Å
217V96.9Very high96.9Very high0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-107114.2174.4-178.90000109.4I145 I153 L155 I191 S196 G197 Y199 V219I145-V217 HydrophobicContact CG2-CB 4.22Å; I145-V217 HydrophobicContact CG2-CG1 4.11Å; I145-V217 HydrophobicContact CG2-CG2 3.86Å; I153-V217 HydrophobicContact CD1-CG1 4.08Å; I153-V217 HydrophobicContact CD1-CG2 4.3Å; L155-V217 HydrophobicContact CD1-CG2 3.96Å; L155-V217 HydrophobicContact CD2-CG2 4.35Å; I191-V217 HydrophobicContact CD1-CG1 3.65Å; S196-V217 WeakPolarHBondContact CA-O 3.4Å; S196-V217 PolarHBondContact OG-O 3.36Å; G197-V217 PolarHBondContact N-O 3.44Å; G197-V217 PolarHBondContact O-N 2.89Å; Y199-V217 HydrophobicContact CD2-CB 3.93Å; Y199-V217 HydrophobicContact CD2-CG2 3.48Å; Y199-V217 VanDerWaalsContact CD2-CG2 3.48Å; Y199-V217 HydrophobicContact CE2-CB 3.59Å; Y199-V217 HydrophobicContact CE2-CG1 4.36Å; Y199-V217 HydrophobicContact CE2-CG2 3.52Å; Y199-V217 HydrophobicContact CG-CG2 4.2Å; V217-V219 HydrophobicContact CG1-CG2 4.31Å
218T97.3Very high97Very high38 Ų3855 Ų5523%0.23330%0.295CS..EExtended strand (participates in β ladder)trans-102.6112.9176.6-56.50000109.8I145 S146 I147 S196 V248I145-T218 PolarHBondContact O-N 3.09Å; S146-T218 VanDerWaalsContact CA-O 3.3Å; S146-T218 WeakPolarHBondContact CA-O 3.31Å; I147-T218 PolarHBondContact N-O 3.34Å; S196-T218 WeakPolarHBondContact OG-CA 3.16Å; T218-V248 HydrophobicContact CG2-CG1 3.72Å
219V97.4Very high97.2Very high0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-93.3118.2177.7-174.90000109.5I147 E149 I191 S196 V217 Y221 V248I147-V219 CarbonylContact O-C 3.51Å; I147-V219 WeakPolarHBondContact O-CA 3.21Å; E149-V219 HydrophobicContact CB-CG1 3.87Å; E149-V219 HydrophobicContact CG-CG1 4.47Å; I191-V219 HydrophobicContact CD1-CG2 3.67Å; I191-V219 HydrophobicContact CG1-CG2 3.86Å; I191-V219 HydrophobicContact CG2-CG1 4.36Å; I191-V219 HydrophobicContact CG2-CG2 4.29Å; S196-V219 PolarHBondContact OG-N 3.06Å; S196-V219 VanDerWaalsContact OG-N 3.16Å; V217-V219 HydrophobicContact CG1-CG2 4.31Å; V219-Y221 WeakPolarHBondContact O-CD1 3.17Å; V219-V248 WeakPolarHBondContact O-CB 3.36Å; V219-V248 WeakPolarHBondContact O-CG1 3.47Å
220N98.3Very high97.2Very high7 Ų756.5 Ų56.54%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-87.8135.1178.4-53.4-51.1000110.3S146 I147 N148 E149 V248 L301S146-N220 PolarHBondContact OG-ND2 3.37Å; S146-N220 PolarHBondContact OG-OD1 3.03Å; I147-N220 PolarHBondContact O-N 2.9Å; I147-N220 PolarHBondContact O-ND2 2.99Å; N148-N220 WeakPolarHBondContact CA-O 3.46Å; N148-N220 WeakPolarHBondContact OD1-CB 3.41Å; N148-N220 PolarHBondContact OD1-ND2 2.67Å; E149-N220 PolarHBondContact N-O 2.9Å; N220-V248 CarbonylContact C-O 3.51Å; N220-V248 WeakPolarHBondContact CA-O 3.19Å; N220-V248 WeakPolarHBondContact CB-O 3.29Å; N220-L301 HydrophobicContact CB-CD1 3.65Å
221Y97.9Very high97.2Very high22 Ų2255.4 Ų55.49%0.08628%0.282CS..EExtended strand (participates in β ladder)trans-148152.1178.457.4-89.5000111.1R193 V219 S246 V248 N299R193-Y221 HydrophobicContact CB-CD1 3.63Å; R193-Y221 HydrophobicContact CB-CE1 3.72Å; R193-Y221 HydrophobicContact CB-CG 4.34Å; R193-Y221 VanDerWaalsContact CZ-CD2 3.44Å; R193-Y221 VanDerWaalsContact NH1-CD2 3.3Å; V219-Y221 WeakPolarHBondContact O-CD1 3.17Å; Y221-S246 PolarHBondContact OH-OG 2.72Å; Y221-V248 HydrophobicContact CD1-CB 4.08Å; Y221-V248 HydrophobicContact CD1-CG2 4.27Å; Y221-V248 HydrophobicContact CE1-CB 3.8Å; Y221-V248 HydrophobicContact CE1-CG2 3.48Å; Y221-V248 VanDerWaalsContact CE1-CG2 3.48Å; Y221-V248 PolarHBondContact N-O 3.21Å; Y221-V248 PolarHBondContact O-N 3.44Å; Y221-V248 VanDerWaalsContact O-O 3.05Å; Y221-N299 PolarHBondContact O-ND2 3.39Å
222P97.8Very high97.2Very high54 Ų5454.2 Ų54.235%0.35128%0.279SS..EExtended strand (participates in β ladder)trans-67159.5178.529.6-36.2000111.4Y224 L301P222-Y224 PolarHBondContact O-N 3.36Å; P222-L301 HydrophobicContact CB-CB 4.08Å
223P97.6Very high97.1Very high9 Ų950.8 Ų50.86%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-64.5139-176.1-20.234.7000112.4S246 A247 A251 A297 N299 G302 T304P223-S246 WeakPolarHBondContact CA-O 3.24Å; P223-A247 HydrophobicContact CB-CB 3.9Å; P223-A247 HydrophobicContact CG-CB 3.91Å; P223-A251 HydrophobicContact CB-CB 4.1Å; P223-A251 HydrophobicContact CG-CB 4.01Å; P223-A297 HydrophobicContact CB-CB 3.98Å; P223-N299 WeakPolarHBondContact CD-OD1 3.49Å; P223-N299 HydrophobicContact CG-CB 4.08Å; P223-G302 WeakPolarHBondContact CD-O 3.44Å; P223-T304 HydrophobicContact CB-CG2 4.13Å; P223-T304 WeakPolarHBondContact O-CB 3.36Å; P223-T304 WeakPolarHBondContact O-CG2 3.3Å
224Y96.2Very high97Very high142 Ų14246.8 Ų46.856%0.55725%0.246SC*.EExtended strand (participates in β ladder)trans-125.5124.7171.4167.1-95.7000108.9P222 S226 A245 S246P222-Y224 PolarHBondContact O-N 3.36Å; Y224-S226 PolarHBondContact O-N 2.87Å; Y224-A245 CarbonylContact O-C 3.56Å; Y224-A245 WeakPolarHBondContact O-CA 3.28Å; Y224-A245 WeakPolarHBondContact O-CB 3.47Å; Y224-S246 PolarHBondContact N-O 2.72Å; Y224-S246 PolarHBondContact O-N 3.28Å
225I97.3Very high96.9Very high23 Ų2342.9 Ų42.912%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-75.7113178-73.4163.5000108.7A228 E244 A245 T304 A306I225-A228 HydrophobicContact CG2-CB 4.07Å; I225-E244 CarbonylContact C-O 3.3Å; I225-E244 VanDerWaalsContact CA-O 3.28Å; I225-E244 WeakPolarHBondContact CA-O 3.32Å; I225-A245 HydrophobicContact CG1-CB 4.13Å; I225-T304 HydrophobicContact CB-CG2 4.47Å; I225-T304 HydrophobicContact CD1-CG2 3.82Å; I225-T304 HydrophobicContact CG1-CG2 3.69Å; I225-A306 HydrophobicContact CD1-CB 3.63Å; I225-A306 HydrophobicContact CG2-CB 4.09Å
226S95.9Very high96.8Very high69 Ų6945 Ų4548%0.48326%0.262SS..EExtended strand (participates in β ladder)trans-83.6-32178.450.80000112.2Y224 E244Y224-S226 PolarHBondContact O-N 2.87Å; S226-E244 PolarHBondContact N-O 2.67Å; S226-E244 WeakPolarHBondContact OG-CB 3.39Å; S226-E244 PolarHBondContact OG-O 2.8Å
227E97.1Very high96.7Very high84 Ų8445.2 Ų45.239%0.39326%0.264SS..EExtended strand (participates in β ladder)trans-149.7139.4178.2-167178.1171.400111.3E244E227-E244 HydrophobicContact CB-CB 4.14Å; E227-E244 HydrophobicContact CB-CG 4.49Å; E227-E244 PolarHBondContact N-O 2.82Å; E227-E244 PolarHBondContact O-N 2.91Å
228A97.4Very high96.6Very high44 Ų4451.6 Ų51.636%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-136.8104.2176.700000108.8I225 A306 I308I225-A228 HydrophobicContact CG2-CB 4.07Å; A228-A306 HydrophobicContact CB-CB 3.72Å; A228-I308 HydrophobicContact CB-CD1 3.91Å; A228-I308 HydrophobicContact CB-CG1 3.78Å
229K97.7Very high96.5Very high114 Ų11449.9 Ų49.950%0.49628%0.282SS..EExtended strand (participates in β ladder)trans-113.2114.9-166.7-172.9172.1-178172.60112.4Q242 I308K229-Q242 HydrophobicContact CB-CB 4.26Å; K229-Q242 PolarHBondContact N-O 2.87Å; K229-Q242 PolarHBondContact O-N 2.96Å; K229-Q242 VanDerWaalsContact O-N 3.12Å; K229-I308 VanDerWaalsContact C-CG2 3.49Å; K229-I308 WeakPolarHBondContact O-CG2 3.42Å
230G96.9Very high96.5Very high28 Ų2851.9 Ų51.929%0.28929%0.294SS..  trans-76.1169.9170.700000112.6I308 M309G230-I308 VanDerWaalsContact CA-CG2 3.48Å; G230-M309 WeakPolarHBondContact CA-O 3.3Å
231T97Very high96.5Very high45 Ų4551.6 Ų51.628%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-146.8140175.1-63.30000111.4V233 T240 M309 F311T231-V233 HydrophobicContact CG2-CG2 3.55Å; T231-T240 PolarHBondContact OG1-O 3.16Å; T231-M309 PolarHBondContact N-O 2.73Å; T231-M309 VanDerWaalsContact N-O 3.16Å; T231-F311 PolarHBondContact O-N 3Å
232G96.6Very high96.5Very high25 Ų2552.5 Ų52.526%0.25830%0.297SS..EExtended strand (participates in β ladder)trans-92.4125170.100000110.8F311 V313G232-F311 CarbonylContact C-O 3.58Å; G232-F311 VanDerWaalsContact CA-O 3.25Å; G232-F311 WeakPolarHBondContact CA-O 3.18Å; G232-V313 VanDerWaalsContact C-CG2 3.46Å; G232-V313 VanDerWaalsContact CA-CG2 3.47Å
233V95.9Very high96.5Very high5 Ų549.9 Ų49.93%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-140.7131.5-172.7-169.70000110T231 Q237 V285 Y290 L310 F311 V313T231-V233 HydrophobicContact CG2-CG2 3.55Å; V233-Q237 HydrophobicContact CG1-CB 3.79Å; V233-V285 HydrophobicContact CB-CG2 4.33Å; V233-V285 HydrophobicContact CG1-CB 4.4Å; V233-V285 HydrophobicContact CG1-CG2 4.01Å; V233-Y290 WeakPolarHBondContact O-CE1 3.28Å; V233-Y290 PolarHBondContact O-OH 3.25Å; V233-L310 HydrophobicContact CG2-CD1 4Å; V233-F311 PolarHBondContact N-O 2.72Å; V233-V313 PolarHBondContact O-N 2.77Å
234P95.8Very high96.5Very high20 Ų2052.1 Ų52.113%0.1329%0.29CS..  trans-65.6152.6170.1-17.230000112.2Q237 V313P234-Q237 HydrophobicContact CB-CG 4.35Å; P234-Q237 PolarHBondContact O-N 3.02Å; P234-V313 WeakPolarHBondContact CA-O 3.48Å; P234-V313 WeakPolarHBondContact CB-O 3.35Å; P234-V313 WeakPolarHBondContact CG-O 3.47Å
235V95.1Very high96.5Very high71 Ų7145.4 Ų45.443%0.4326%0.264SS..THydrogen-bonded Turntrans-55.7140.8171.7178.20000110Q237 V285 E287 Y290V235-Q237 VanDerWaalsContact C-N 3.34Å; V235-V285 WeakPolarHBondContact CA-O 3.46Å; V235-E287 HydrophobicContact CG2-CG 4.06Å; V235-Y290 HydrophobicContact CG2-CE2 4.04Å; V235-Y290 PolarHBondContact N-OH 2.85Å
236G93.4Very high96.5Very high46 Ų4646.3 Ų46.347%0.47427%0.273SS..THydrogen-bonded Turntrans93.2-16.9-179.100000114.5N284 V285G236-N284 VanDerWaalsContact C-OD1 3.24Å; G236-N284 WeakPolarHBondContact CA-OD1 3.07Å; G236-N284 PolarHBondContact O-OD1 2.73Å; G236-V285 PolarHBondContact N-O 3.07Å
237Q95.1Very high96.5Very high103 Ų10343 Ų4348%0.48125%0.25SC..SBendtrans-101.8165.9-171.6-61.4-163.716.600113.4V233 P234 V235 V285V233-Q237 HydrophobicContact CG1-CB 3.79Å; P234-Q237 HydrophobicContact CB-CG 4.35Å; P234-Q237 PolarHBondContact O-N 3.02Å; V235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-V285 WeakPolarHBondContact O-CG2 3.4Å; Q237-V285 PolarHBondContact O-N 2.88Å
238K95.4Very high96.5Very high135 Ų13540.8 Ų40.859%0.58724%0.241SC*.  trans-76.7128.6176.1-174.4-174.4178.2179.50110.4I281 F282K238-I281 VanDerWaalsContact CE-CG2 3.45Å; K238-I281 HydrophobicContact CG-CG2 4.43Å; K238-F282 VanDerWaalsContact CA-O 3.3Å; K238-F282 WeakPolarHBondContact CA-O 2.91Å; K238-F282 VanDerWaalsContact CG-O 3.22Å; K238-F282 WeakPolarHBondContact CG-O 3.17Å
239G95.2Very high96.5Very high2 Ų241 Ų412%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-115.5154.9175.400000112.6I281 F282G239-I281 WeakPolarHBondContact O-CA 3.36Å; G239-F282 PolarHBondContact N-O 2.04Å; G239-F282 PolarHBondContact O-N 2.81Å
240T96.9Very high96.4Very high42 Ų4238.6 Ų38.626%0.25824%0.236SC..EExtended strand (participates in β ladder)trans-145.9122.3174.4-60.40000110.7T231 K279 L280 I281T231-T240 PolarHBondContact OG1-O 3.16Å; T240-K279 HydrophobicContact CG2-CB 4.09Å; T240-K279 HydrophobicContact CG2-CD 4.22Å; T240-K279 HydrophobicContact CG2-CG 4.25Å; T240-L280 CarbonylContact C-O 3.55Å; T240-L280 WeakPolarHBondContact CA-O 2.99Å; T240-I281 HydrophobicContact CG2-CG1 4Å
241L97.8Very high96.3Very high0 Ų037.7 Ų37.70%023%0.226CC..EExtended strand (participates in β ladder)trans-95.6146.2167.8-53.2-177.1000109.1W255 K279 L280 F282 Y293 I308 L310L241-W255 HydrophobicContact CB-CH2 3.8Å; L241-W255 HydrophobicContact CB-CZ3 4.03Å; L241-W255 HydrophobicContact CD1-CZ3 4.29Å; L241-K279 CarbonylContact O-C 3.5Å; L241-K279 VanDerWaalsContact O-CA 3.28Å; L241-K279 WeakPolarHBondContact O-CA 3.33Å; L241-L280 HydrophobicContact CB-CB 4.34Å; L241-L280 HydrophobicContact CD1-CD2 4.32Å; L241-L280 PolarHBondContact N-O 2.83Å; L241-L280 PolarHBondContact O-N 2.82Å; L241-F282 HydrophobicContact CD1-CE2 4.22Å; L241-F282 HydrophobicContact CG-CE2 4.12Å; L241-Y293 HydrophobicContact CD1-CD1 4.46Å; L241-Y293 HydrophobicContact CD1-CD2 3.52Å; L241-Y293 HydrophobicContact CD1-CE2 4.26Å; L241-Y293 HydrophobicContact CD1-CG 3.64Å; L241-I308 HydrophobicContact CB-CG2 4.05Å; L241-I308 HydrophobicContact CD1-CG2 4.1Å; L241-I308 HydrophobicContact CD2-CG2 3.98Å; L241-I308 HydrophobicContact CG-CG2 4.26Å; L241-L310 HydrophobicContact CD1-CB 4.39Å; L241-L310 HydrophobicContact CD2-CB 4.17Å; L241-L310 HydrophobicContact CD2-CD1 3.96Å
242Q97.9Very high96.2Very high41 Ų4142 Ų4219%0.19224%0.243CC..EExtended strand (participates in β ladder)trans-130.5138.1-175.6164161.1-1600110.9K229 E244 L277K229-Q242 HydrophobicContact CB-CB 4.26Å; K229-Q242 PolarHBondContact N-O 2.87Å; K229-Q242 PolarHBondContact O-N 2.96Å; K229-Q242 VanDerWaalsContact O-N 3.12Å; Q242-E244 HydrophobicContact CG-CG 4.43Å; Q242-E244 PolarHBondContact NE2-OE1 3Å; Q242-L277 HydrophobicContact CG-CD1 3.48Å; Q242-L277 VanDerWaalsContact CG-CD1 3.48Å
243C97.9Very high96.2Very high0 Ų041.2 Ų41.20%023%0.233CC..EExtended strand (participates in β ladder)trans-138.5119.8179.9-178.10000109.1W255 L277 S278 C295 I308C243-W255 HydrophobicContact CB-CH2 3.84Å; C243-W255 HydrophobicContact CB-CZ2 3.67Å; C243-L277 CarbonylContact O-C 3.59Å; C243-L277 WeakPolarHBondContact O-CA 3.27Å; C243-S278 PolarHBondContact N-O 2.78Å; C243-S278 PolarHBondContact O-N 3.5Å; C243-C295 HydrophobicContact CB-CB 3.6Å; C243-C295 WeakPolarHBondContact CB-SG 3.49Å; C243-C295 WeakPolarHBondContact SG-CB 3.49Å; C243-C295 CovalentContact SG-SG 2.04Å; C243-C295 PolarHBondContact SG-SG 3.46Å; C243-I308 HydrophobicContact CB-CD1 3.98Å
244E97.9Very high96.2Very high56 Ų5643 Ų4326%0.26224%0.241SC..EExtended strand (participates in β ladder)trans-112.4135.3178.7-65.7-171.5-173.700110.3I225 S226 E227 Q242 F276 L277I225-E244 CarbonylContact C-O 3.3Å; I225-E244 VanDerWaalsContact CA-O 3.28Å; I225-E244 WeakPolarHBondContact CA-O 3.32Å; S226-E244 PolarHBondContact N-O 2.67Å; S226-E244 WeakPolarHBondContact OG-CB 3.39Å; S226-E244 PolarHBondContact OG-O 2.8Å; E227-E244 HydrophobicContact CB-CB 4.14Å; E227-E244 HydrophobicContact CB-CG 4.49Å; E227-E244 PolarHBondContact N-O 2.82Å; E227-E244 PolarHBondContact O-N 2.91Å; Q242-E244 HydrophobicContact CG-CG 4.43Å; Q242-E244 PolarHBondContact NE2-OE1 3Å; E244-F276 VanDerWaalsContact CA-O 3.24Å; E244-F276 WeakPolarHBondContact CA-O 3.43Å; E244-L277 HydrophobicContact CG-CB 4.32Å; E244-L277 HydrophobicContact CG-CD1 3.62Å
245A97.3Very high96.3Very high1 Ų142.1 Ų42.11%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-139.8137.1176.400000111.3Y224 I225 F253 F276 A297Y224-A245 CarbonylContact O-C 3.56Å; Y224-A245 WeakPolarHBondContact O-CA 3.28Å; Y224-A245 WeakPolarHBondContact O-CB 3.47Å; I225-A245 HydrophobicContact CG1-CB 4.13Å; A245-F253 HydrophobicContact CB-CE1 3.78Å; A245-F253 HydrophobicContact CB-CZ 3.65Å; A245-F276 PolarHBondContact N-O 3.04Å; A245-F276 WeakPolarHBondContact O-CA 3.48Å; A245-A297 HydrophobicContact CB-CB 3.77Å
246S96.1Very high96.3Very high42 Ų4241.5 Ų41.529%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-92.2130.5169.7-160.90000109.2Y221 P223 Y224Y221-S246 PolarHBondContact OH-OG 2.72Å; P223-S246 WeakPolarHBondContact CA-O 3.24Å; Y224-S246 PolarHBondContact N-O 2.72Å; Y224-S246 PolarHBondContact O-N 3.28Å
247A96.6Very high96.3Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-159.1147.1179.200000110.7P223 P249 A251P223-A247 HydrophobicContact CB-CB 3.9Å; P223-A247 HydrophobicContact CG-CB 3.91Å; A247-P249 CarbonylContact C-O 3.58Å; A247-P249 VanDerWaalsContact C-O 3.3Å; A247-P249 WeakPolarHBondContact CB-O 3.45Å; A247-A251 HydrophobicContact CB-CB 3.88Å
248V97.1Very high96Very high36 Ų3641.7 Ų41.722%0.21822%0.217CC..EExtended strand (participates in β ladder)trans-135.1118.7168179.80000108.8T218 V219 N220 Y221T218-V248 HydrophobicContact CG2-CG1 3.72Å; V219-V248 WeakPolarHBondContact O-CB 3.36Å; V219-V248 WeakPolarHBondContact O-CG1 3.47Å; N220-V248 CarbonylContact C-O 3.51Å; N220-V248 WeakPolarHBondContact CA-O 3.19Å; N220-V248 WeakPolarHBondContact CB-O 3.29Å; Y221-V248 HydrophobicContact CD1-CB 4.08Å; Y221-V248 HydrophobicContact CD1-CG2 4.27Å; Y221-V248 HydrophobicContact CE1-CB 3.8Å; Y221-V248 HydrophobicContact CE1-CG2 3.48Å; Y221-V248 VanDerWaalsContact CE1-CG2 3.48Å; Y221-V248 PolarHBondContact N-O 3.21Å; Y221-V248 PolarHBondContact O-N 3.44Å; Y221-V248 VanDerWaalsContact O-O 3.05Å
249P96.9Very high95.7Very high50 Ų5042.7 Ų42.733%0.32523%0.229SC..SBendcis-58.7163.3-7.7-2234.3000113.1A247 N299 K300A247-P249 CarbonylContact C-O 3.58Å; A247-P249 VanDerWaalsContact C-O 3.3Å; A247-P249 WeakPolarHBondContact CB-O 3.45Å; P249-N299 PolarHBondContact O-ND2 2.53Å; P249-K300 HydrophobicContact CG-CD 4.16Å; P249-K300 HydrophobicContact CG-CG 4.44Å
250S95.1Very high95.5Very high62 Ų6250 Ų5043%0.43426%0.26SS..PPolyproline II helixtrans-51.7144.9-179.4-58.10000112.5
251A95.4Very high95.3Very high9 Ų954.9 Ų54.97%0.07427%0.274CS..PPolyproline II helixtrans-81.3144.8-176.200000112P223 A247 F253 A297 S298P223-A251 HydrophobicContact CB-CB 4.1Å; P223-A251 HydrophobicContact CG-CB 4.01Å; A247-A251 HydrophobicContact CB-CB 3.88Å; A251-F253 HydrophobicContact CB-CE2 4.2Å; A251-F253 HydrophobicContact CB-CZ 4.44Å; A251-A297 HydrophobicContact CB-CB 4.14Å; A251-S298 CarbonylContact C-O 3.48Å; A251-S298 WeakPolarHBondContact CA-O 3.03Å
252E95.9Very high94.9Very high136 Ų13656.1 Ų56.164%0.63628%0.281SS*.EExtended strand (participates in β ladder)trans-90.2133.7162.3-65.4-174.5-176.800109.8A297 S298E252-A297 WeakPolarHBondContact O-CA 3.1Å; E252-S298 PolarHBondContact N-O 3.44Å; E252-S298 PolarHBondContact O-N 3.47Å; E252-S298 PolarHBondContact O-OG 3.06Å
253F96.3Very high93.9Very high8 Ų859.2 Ų59.24%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-108.6139.8-176.6-69.3-93000112.5A245 A251 N273 S278 V296 A297A245-F253 HydrophobicContact CB-CE1 3.78Å; A245-F253 HydrophobicContact CB-CZ 3.65Å; A251-F253 HydrophobicContact CB-CE2 4.2Å; A251-F253 HydrophobicContact CB-CZ 4.44Å; F253-N273 WeakPolarHBondContact CB-OD1 3.46Å; F253-N273 PolarHBondContact O-ND2 2.84Å; F253-N273 VanDerWaalsContact O-ND2 3.08Å; F253-S278 VanDerWaalsContact CG-CB 3.45Å; F253-V296 CarbonylContact C-O 3.53Å; F253-V296 WeakPolarHBondContact CA-O 3.45Å; F253-A297 HydrophobicContact CD1-CB 3.95Å; F253-A297 HydrophobicContact CE1-CB 3.77Å; F253-A297 HydrophobicContact CZ-CB 4.4Å
254Q95.8Very high92.6Very high43 Ų4365.4 Ų65.420%0.20133%0.326CS..EExtended strand (participates in β ladder)trans-136.2142.4175.9-60.3177.96.200110Y256 V296Q254-Y256 HydrophobicContact CB-CE2 3.7Å; Q254-Y256 PolarHBondContact OE1-OH 3.46Å; Q254-V296 PolarHBondContact N-O 3.14Å; Q254-V296 PolarHBondContact O-N 2.84Å
255W96.3Very high91Very high2 Ų266.1 Ų66.11%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-112.1142.3177.9-70.488.2000111L241 C243 L262 S278 L280 T294 C295 I308L241-W255 HydrophobicContact CB-CH2 3.8Å; L241-W255 HydrophobicContact CB-CZ3 4.03Å; L241-W255 HydrophobicContact CD1-CZ3 4.29Å; C243-W255 HydrophobicContact CB-CH2 3.84Å; C243-W255 HydrophobicContact CB-CZ2 3.67Å; W255-L262 HydrophobicContact CB-CB 4.31Å; W255-L262 HydrophobicContact CB-CD1 4.07Å; W255-L262 HydrophobicContact CB-CG 4.5Å; W255-L262 PolarHBondContact O-N 2.91Å; W255-S278 PolarHBondContact NE1-OG 2.87Å; W255-L280 HydrophobicContact CB-CD2 4.41Å; W255-L280 HydrophobicContact CD2-CB 3.77Å; W255-L280 HydrophobicContact CD2-CD2 4.13Å; W255-L280 HydrophobicContact CD2-CG 4.49Å; W255-L280 HydrophobicContact CE3-CB 4.12Å; W255-L280 HydrophobicContact CE3-CD2 3.96Å; W255-L280 HydrophobicContact CG-CB 4.16Å; W255-L280 HydrophobicContact CG-CD2 4.34Å; W255-L280 HydrophobicContact CH2-CB 4.34Å; W255-L280 HydrophobicContact CZ2-CB 4.05Å; W255-L280 HydrophobicContact CZ3-CB 4.38Å; W255-T294 CarbonylContact C-O 3.53Å; W255-T294 WeakPolarHBondContact CA-O 3.34Å; W255-C295 HydrophobicContact CD2-CB 4.31Å; W255-C295 HydrophobicContact CE3-CB 4.05Å; W255-C295 HydrophobicContact CH2-CB 3.98Å; W255-C295 HydrophobicContact CZ2-CB 4.2Å; W255-C295 HydrophobicContact CZ3-CB 3.89Å; W255-I308 HydrophobicContact CH2-CD1 3.46Å; W255-I308 VanDerWaalsContact CH2-CD1 3.46Å; W255-I308 HydrophobicContact CZ3-CB 4.41Å; W255-I308 HydrophobicContact CZ3-CD1 3.64Å
256Y95.6Very high89.4Confident58 Ų5873.2 Ų73.223%0.22738%0.38CS..EExtended strand (participates in β ladder)trans-130.7145.7179.4-65.4-103.7000110.1Q254 K260 R261 Y293 T294 V296Q254-Y256 HydrophobicContact CB-CE2 3.7Å; Q254-Y256 PolarHBondContact OE1-OH 3.46Å; Y256-K260 VanDerWaalsContact CA-O 3.32Å; Y256-K260 WeakPolarHBondContact CA-O 3.5Å; Y256-R261 HydrophobicContact CD1-CB 4Å; Y256-R261 HydrophobicContact CE1-CB 3.61Å; Y256-R261 HydrophobicContact CE1-CG 4.22Å; Y256-Y293 CarbonylContact O-C 3.55Å; Y256-Y293 WeakPolarHBondContact O-CA 3.5Å; Y256-T294 PolarHBondContact N-O 2.86Å; Y256-T294 PolarHBondContact O-N 2.8Å; Y256-V296 HydrophobicContact CD2-CG2 3.75Å; Y256-V296 HydrophobicContact CE2-CB 4.21Å; Y256-V296 HydrophobicContact CE2-CG2 3.7Å
257K93.8Very high88Confident30 Ų3079.6 Ų79.613%0.1340%0.402CS..EExtended strand (participates in β ladder)trans-131.3128.3165.9-168.8-170.6-176.7164.10107.7D259 K260 L262 H288 D289 Y290 Y293K257-D259 VanDerWaalsContact C-N 3.27Å; K257-D259 PolarHBondContact O-N 3.31Å; K257-K260 PolarHBondContact N-O 2.83Å; K257-K260 WeakPolarHBondContact O-CB 3.41Å; K257-K260 PolarHBondContact O-N 2.92Å; K257-L262 HydrophobicContact CB-CD1 4.47Å; K257-L262 HydrophobicContact CB-CD2 4.1Å; K257-L262 HydrophobicContact CB-CG 4.49Å; K257-H288 PolarHBondContact NZ-O 3.28Å; K257-D289 PolarHBondContact NZ-O 3Å; K257-D289 VanDerWaalsContact NZ-O 3.14Å; K257-Y290 PolarHBondContact NZ-O 2.93Å; K257-Y290 VanDerWaalsContact NZ-O 3.11Å; K257-Y293 HydrophobicContact CB-CD1 3.96Å; K257-Y293 HydrophobicContact CB-CE1 3.81Å; K257-Y293 HydrophobicContact CD-CE1 3.75Å; K257-Y293 HydrophobicContact CG-CD1 4.22Å; K257-Y293 HydrophobicContact CG-CE1 3.86Å; K257-Y293 PolarHBondContact NZ-OH 2.76Å
258D89.3Confident87.5Confident123 Ų12382.1 Ų82.166%0.65843%0.428SS*.THydrogen-bonded Turntrans50.148.8-178.6-46.4-43.7000111.9K260D258-K260 PolarHBondContact O-N 2.95Å
259D88.6Confident87.1Confident155 Ų15581 Ų8183%0.82942%0.421SS*.THydrogen-bonded Turntrans606.9-176.8-55.7-45000116.2K257K257-D259 VanDerWaalsContact C-N 3.27Å; K257-D259 PolarHBondContact O-N 3.31Å
260K91.7Very high86.8Confident156 Ų15682.3 Ų82.368%0.67842%0.422SS*.EExtended strand (participates in β ladder)trans-101125.6176.6-67.3174.6-175.3171.60110.5Y256 K257 D258 L262Y256-K260 VanDerWaalsContact CA-O 3.32Å; Y256-K260 WeakPolarHBondContact CA-O 3.5Å; K257-K260 PolarHBondContact N-O 2.83Å; K257-K260 WeakPolarHBondContact O-CB 3.41Å; K257-K260 PolarHBondContact O-N 2.92Å; D258-K260 PolarHBondContact O-N 2.95Å; K260-L262 PolarHBondContact O-N 2.82Å
261R92Very high86.8Confident144 Ų14480.3 Ų80.354%0.54341%0.407SS..EExtended strand (participates in β ladder)trans-60.9127.9175.3-173.4175.3172.4-175.70.8110.4Y256Y256-R261 HydrophobicContact CD1-CB 4Å; Y256-R261 HydrophobicContact CE1-CB 3.61Å; Y256-R261 HydrophobicContact CE1-CG 4.22Å
262L90.1Very high86.7Confident27 Ų2783.1 Ų83.114%0.14142%0.418CS..PPolyproline II helixtrans-79.3126.4170.7-58.8-179.9000108.7W255 K257 K260 L280 Y293W255-L262 HydrophobicContact CB-CB 4.31Å; W255-L262 HydrophobicContact CB-CD1 4.07Å; W255-L262 HydrophobicContact CB-CG 4.5Å; W255-L262 PolarHBondContact O-N 2.91Å; K257-L262 HydrophobicContact CB-CD1 4.47Å; K257-L262 HydrophobicContact CB-CD2 4.1Å; K257-L262 HydrophobicContact CB-CG 4.49Å; K260-L262 PolarHBondContact O-N 2.82Å; L262-L280 HydrophobicContact CD1-CD1 4.09Å; L262-L280 HydrophobicContact CD1-CD2 3.61Å; L262-Y293 HydrophobicContact CD1-CD1 3.76Å; L262-Y293 HydrophobicContact CD1-CE1 3.78Å
263I76.9Confident86.6Confident105 Ų10580.5 Ų80.554%0.53841%0.409SS..  trans-108.2131.7-178.4-55.1174.5000108G265 K266I263-G265 PolarHBondContact O-N 2.91Å; I263-K266 PolarHBondContact O-N 2.92Å
264E69.9Low86.4Confident130 Ų13088.5 Ų88.561%0.60744%0.439SS*.THydrogen-bonded Turntrans-52.9134.7177.4-166.8174.3-167.500111.3K266E264-K266 VanDerWaalsContact C-N 3.34Å; E264-K266 PolarHBondContact O-N 3.25Å
265G63.4Low86Confident72 Ų7289.8 Ų89.874%0.74245%0.45SS*.THydrogen-bonded Turntrans83.8-6.4177.700000116.2I263I263-G265 PolarHBondContact O-N 2.91Å
266K64.5Low85.9Confident150 Ų15095 Ų9565%0.65247%0.474SS*.SBendtrans-104.9130168.8-84.2-178.1173.81770110.1I263 E264I263-K266 PolarHBondContact O-N 2.92Å; E264-K266 VanDerWaalsContact C-N 3.34Å; E264-K266 PolarHBondContact O-N 3.25Å
267K67.6Low85.9Confident176 Ų17694.1 Ų94.177%0.76547%0.473SS*.SBendtrans78.538.9172.2-51.7-178.3172.3-173.80118.4V269K267-V269 PolarHBondContact O-N 3.39Å
268G84.4Confident86Confident52 Ų5292.7 Ų92.754%0.53647%0.466SS..SBendtrans6417.3168.900000115.1F283G268-F283 VanDerWaalsContact O-CD2 3.27Å; G268-F283 WeakPolarHBondContact O-CD2 3.13Å; G268-F283 PolarHBondContact O-N 3.24Å
269V88.6Confident86.4Confident14 Ų1490.1 Ų90.19%0.08545%0.449CS..EExtended strand (participates in β ladder)trans-118.4149.7176.8-66.60000110.7K267 L280 I281 F282K267-V269 PolarHBondContact O-N 3.39Å; V269-L280 HydrophobicContact CB-CD1 4.12Å; V269-L280 HydrophobicContact CG2-CD1 4.46Å; V269-I281 CarbonylContact C-O 3.59Å; V269-I281 WeakPolarHBondContact CA-O 2.98Å; V269-F282 HydrophobicContact CG1-CD1 3.37Å; V269-F282 HydrophobicContact CG1-CE1 3.52Å; V269-F282 HydrophobicContact CG1-CG 4.03Å; V269-F282 HydrophobicContact CG1-CZ 4.27Å
270K92.3Very high86.7Confident76 Ų7682.7 Ų82.733%0.3341%0.41SS..EExtended strand (participates in β ladder)trans-125.7135.4175.3-176.4-174.7-178.1-164.30109.4E272 I281 F283K270-E272 HydrophobicContact CD-CG 4.16Å; K270-E272 WeakPolarHBondContact CE-OE1 3.48Å; K270-E272 HydrophobicContact CG-CG 4.33Å; K270-E272 IonicContact NZ-OE1 3.37Å; K270-E272 PolarHBondContact NZ-OE1 2.84Å; K270-I281 HydrophobicContact CB-CB 4.39Å; K270-I281 PolarHBondContact N-O 2.79Å; K270-I281 PolarHBondContact O-N 2.85Å; K270-F283 HydrophobicContact CB-CE2 3.9Å; K270-F283 HydrophobicContact CB-CZ 3.78Å; K270-F283 HydrophobicContact CD-CZ 4.14Å
271V93.9Very high86.9Confident20 Ų2075.8 Ų75.812%0.12138%0.38CS..EExtended strand (participates in β ladder)trans-104125.8172.71780000108.3N273 K279 L280V271-N273 WeakPolarHBondContact CG1-OD1 3.24Å; V271-K279 CarbonylContact C-O 3.54Å; V271-K279 WeakPolarHBondContact CA-O 3.31Å; V271-L280 HydrophobicContact CG2-CD1 3.75Å
272E93.8Very high87Confident68 Ų6869 Ų6932%0.31836%0.355SS..EExtended strand (participates in β ladder)trans-113.9105.7173.7-66.1-173.8172.900109.3K270 S278 K279 I281K270-E272 HydrophobicContact CD-CG 4.16Å; K270-E272 WeakPolarHBondContact CE-OE1 3.48Å; K270-E272 HydrophobicContact CG-CG 4.33Å; K270-E272 IonicContact NZ-OE1 3.37Å; K270-E272 PolarHBondContact NZ-OE1 2.84Å; E272-S278 WeakPolarHBondContact O-CA 3.27Å; E272-K279 HydrophobicContact CB-CB 4.4Å; E272-K279 PolarHBondContact N-O 2.86Å; E272-K279 PolarHBondContact O-N 2.94Å; E272-I281 VanDerWaalsContact CD-CD1 3.47Å; E272-I281 HydrophobicContact CG-CD1 3.9Å
273N93.4Very high87.1Confident81 Ų8173.5 Ų73.543%0.43337%0.373SS..EExtended strand (participates in β ladder)trans-97.3132.2179-74-16.4000111.4F253 V271 S278F253-N273 WeakPolarHBondContact CB-OD1 3.46Å; F253-N273 PolarHBondContact O-ND2 2.84Å; F253-N273 VanDerWaalsContact O-ND2 3.08Å; V271-N273 WeakPolarHBondContact CG1-OD1 3.24Å; N273-S278 WeakPolarHBondContact OD1-CB 3.31Å; N273-S278 PolarHBondContact OD1-OG 3.5Å
274R92Very high87.9Confident177 Ų17773.5 Ų73.567%0.66837%0.374SS*.EExtended strand (participates in β ladder)trans-128.4163.2169.9-58.9-67.9-171.9177.40.4108.4F276 L277R274-F276 PolarHBondContact O-N 3.16Å; R274-L277 WeakPolarHBondContact CA-O 3.35Å; R274-L277 HydrophobicContact CB-CB 4.41Å; R274-L277 WeakPolarHBondContact CB-O 3.27Å; R274-L277 PolarHBondContact N-O 2.84Å; R274-L277 PolarHBondContact O-N 3.22Å
275P88.4Confident89.1Confident69 Ų6967.3 Ų67.345%0.44835%0.345SS..THydrogen-bonded Turntrans-52.3-29.7-174.7-3237.6000116.7
276F92.9Very high90.5Very high113 Ų11365.9 Ų65.950%0.49632%0.324SS..THydrogen-bonded Turntrans-126.52.2-177.1-51.6-67.8000113.6E244 A245 R274E244-F276 VanDerWaalsContact CA-O 3.24Å; E244-F276 WeakPolarHBondContact CA-O 3.43Å; A245-F276 PolarHBondContact N-O 3.04Å; A245-F276 WeakPolarHBondContact O-CA 3.48Å; R274-F276 PolarHBondContact O-N 3.16Å
277L96.2Very high91.9Very high39 Ų3965.3 Ų65.320%0.20432%0.323CS..EExtended strand (participates in β ladder)trans-150.2128.1-169.6168.462.2000110.3Q242 C243 E244 R274 K279Q242-L277 HydrophobicContact CG-CD1 3.48Å; Q242-L277 VanDerWaalsContact CG-CD1 3.48Å; C243-L277 CarbonylContact O-C 3.59Å; C243-L277 WeakPolarHBondContact O-CA 3.27Å; E244-L277 HydrophobicContact CG-CB 4.32Å; E244-L277 HydrophobicContact CG-CD1 3.62Å; R274-L277 WeakPolarHBondContact CA-O 3.35Å; R274-L277 HydrophobicContact CB-CB 4.41Å; R274-L277 WeakPolarHBondContact CB-O 3.27Å; R274-L277 PolarHBondContact N-O 2.84Å; R274-L277 PolarHBondContact O-N 3.22Å; L277-K279 HydrophobicContact CD1-CG 4.24Å
278S97.1Very high93Very high0 Ų064.5 Ų64.50%032%0.322CS..EExtended strand (participates in β ladder)trans-120.6138.7169.8-174.90000111C243 F253 W255 E272 N273C243-S278 PolarHBondContact N-O 2.78Å; C243-S278 PolarHBondContact O-N 3.5Å; F253-S278 VanDerWaalsContact CG-CB 3.45Å; W255-S278 PolarHBondContact NE1-OG 2.87Å; E272-S278 WeakPolarHBondContact O-CA 3.27Å; N273-S278 WeakPolarHBondContact OD1-CB 3.31Å; N273-S278 PolarHBondContact OD1-OG 3.5Å
279K96.8Very high93.4Very high68 Ų6863.6 Ų63.630%0.29631%0.305SS..EExtended strand (participates in β ladder)trans-121.6130.1175.3-67.8179.9176.61750110.7T240 L241 V271 E272 L277 I281T240-K279 HydrophobicContact CG2-CB 4.09Å; T240-K279 HydrophobicContact CG2-CD 4.22Å; T240-K279 HydrophobicContact CG2-CG 4.25Å; L241-K279 CarbonylContact O-C 3.5Å; L241-K279 VanDerWaalsContact O-CA 3.28Å; L241-K279 WeakPolarHBondContact O-CA 3.33Å; V271-K279 CarbonylContact C-O 3.54Å; V271-K279 WeakPolarHBondContact CA-O 3.31Å; E272-K279 HydrophobicContact CB-CB 4.4Å; E272-K279 PolarHBondContact N-O 2.86Å; E272-K279 PolarHBondContact O-N 2.94Å; L277-K279 HydrophobicContact CD1-CG 4.24Å; K279-I281 HydrophobicContact CB-CG1 4.22Å
280L95.8Very high93.8Very high0 Ų064.8 Ų64.80%031%0.308CS..EExtended strand (participates in β ladder)trans-102.4111.4167.8178.766.5000108.7T240 L241 W255 L262 V269 V271 F282 Y293T240-L280 CarbonylContact C-O 3.55Å; T240-L280 WeakPolarHBondContact CA-O 2.99Å; L241-L280 HydrophobicContact CB-CB 4.34Å; L241-L280 HydrophobicContact CD1-CD2 4.32Å; L241-L280 PolarHBondContact N-O 2.83Å; L241-L280 PolarHBondContact O-N 2.82Å; W255-L280 HydrophobicContact CB-CD2 4.41Å; W255-L280 HydrophobicContact CD2-CB 3.77Å; W255-L280 HydrophobicContact CD2-CD2 4.13Å; W255-L280 HydrophobicContact CD2-CG 4.49Å; W255-L280 HydrophobicContact CE3-CB 4.12Å; W255-L280 HydrophobicContact CE3-CD2 3.96Å; W255-L280 HydrophobicContact CG-CB 4.16Å; W255-L280 HydrophobicContact CG-CD2 4.34Å; W255-L280 HydrophobicContact CH2-CB 4.34Å; W255-L280 HydrophobicContact CZ2-CB 4.05Å; W255-L280 HydrophobicContact CZ3-CB 4.38Å; L262-L280 HydrophobicContact CD1-CD1 4.09Å; L262-L280 HydrophobicContact CD1-CD2 3.61Å; V269-L280 HydrophobicContact CB-CD1 4.12Å; V269-L280 HydrophobicContact CG2-CD1 4.46Å; V271-L280 HydrophobicContact CG2-CD1 3.75Å; L280-F282 HydrophobicContact CD2-CE2 3.89Å; L280-F282 HydrophobicContact CD2-CZ 3.7Å; L280-F282 HydrophobicContact CG-CE2 3.82Å; L280-F282 HydrophobicContact CG-CZ 4Å; L280-Y293 HydrophobicContact CD2-CD1 3.54Å; L280-Y293 HydrophobicContact CD2-CE1 3.87Å; L280-Y293 HydrophobicContact CD2-CG 4.2Å
281I95.3Very high93.9Very high10 Ų1062.3 Ų62.35%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-108.1127.3-171.7-56.7170.7000109.1K238 G239 T240 V269 K270 E272 K279K238-I281 VanDerWaalsContact CE-CG2 3.45Å; K238-I281 HydrophobicContact CG-CG2 4.43Å; G239-I281 WeakPolarHBondContact O-CA 3.36Å; T240-I281 HydrophobicContact CG2-CG1 4Å; V269-I281 CarbonylContact C-O 3.59Å; V269-I281 WeakPolarHBondContact CA-O 2.98Å; K270-I281 HydrophobicContact CB-CB 4.39Å; K270-I281 PolarHBondContact N-O 2.79Å; K270-I281 PolarHBondContact O-N 2.85Å; E272-I281 VanDerWaalsContact CD-CD1 3.47Å; E272-I281 HydrophobicContact CG-CD1 3.9Å; K279-I281 HydrophobicContact CB-CG1 4.22Å
282F94.1Very high94.1Very high3 Ų365.7 Ų65.71%0.01332%0.322CS..EExtended strand (participates in β ladder)trans-102124.6173.4-59.8-100.2000108.1K238 G239 L241 V269 L280 V285 D289 Y293 L310K238-F282 VanDerWaalsContact CA-O 3.3Å; K238-F282 WeakPolarHBondContact CA-O 2.91Å; K238-F282 VanDerWaalsContact CG-O 3.22Å; K238-F282 WeakPolarHBondContact CG-O 3.17Å; G239-F282 PolarHBondContact N-O 2.04Å; G239-F282 PolarHBondContact O-N 2.81Å; L241-F282 HydrophobicContact CD1-CE2 4.22Å; L241-F282 HydrophobicContact CG-CE2 4.12Å; V269-F282 HydrophobicContact CG1-CD1 3.37Å; V269-F282 HydrophobicContact CG1-CE1 3.52Å; V269-F282 HydrophobicContact CG1-CG 4.03Å; V269-F282 HydrophobicContact CG1-CZ 4.27Å; L280-F282 HydrophobicContact CD2-CE2 3.89Å; L280-F282 HydrophobicContact CD2-CZ 3.7Å; L280-F282 HydrophobicContact CG-CE2 3.82Å; L280-F282 HydrophobicContact CG-CZ 4Å; F282-V285 HydrophobicContact CB-CG2 3.67Å; F282-V285 HydrophobicContact CG-CG2 4.19Å; F282-D289 HydrophobicContact CD1-CB 4.17Å; F282-D289 HydrophobicContact CE1-CB 4.11Å; F282-Y293 HydrophobicContact CE1-CE1 4.24Å; F282-Y293 AromaticContact CE1-CZ 3.87Å; F282-Y293 WeakPolarHBondContact CE1-OH 3.45Å; F282-Y293 HydrophobicContact CZ-CD1 4.45Å; F282-Y293 AromaticContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE2 4.02Å; F282-Y293 AromaticContact CZ-CZ 3.47Å; F282-Y293 VanDerWaalsContact CZ-CZ 3.47Å; F282-Y293 WeakPolarHBondContact CZ-OH 3.5Å; F282-L310 HydrophobicContact CD1-CD2 4.39Å; F282-L310 HydrophobicContact CD2-CD2 4.3Å; F282-L310 HydrophobicContact CE1-CD2 4.18Å; F282-L310 HydrophobicContact CE2-CD2 4.1Å; F282-L310 HydrophobicContact CG-CD2 4.46Å; F282-L310 HydrophobicContact CZ-CD2 4.04Å
283F92.9Very high94.2Very high121 Ų12162.6 Ų62.653%0.53131%0.307SS..SBendtrans-75.9-35.3178.8-65.4-67.8000112.6G268 K270G268-F283 VanDerWaalsContact O-CD2 3.27Å; G268-F283 WeakPolarHBondContact O-CD2 3.13Å; G268-F283 PolarHBondContact O-N 3.24Å; K270-F283 HydrophobicContact CB-CE2 3.9Å; K270-F283 HydrophobicContact CB-CZ 3.78Å; K270-F283 HydrophobicContact CD-CZ 4.14Å
284N92.9Very high94.5Very high104 Ų10460.7 Ų60.756%0.55630%0.299SS*.SBendtrans-147.5109.1177.8-179-3.2000108.2G236G236-N284 VanDerWaalsContact C-OD1 3.24Å; G236-N284 WeakPolarHBondContact CA-OD1 3.07Å; G236-N284 PolarHBondContact O-OD1 2.73Å
285V94.3Very high94.7Very high0 Ų052.3 Ų52.30%027%0.267CS..  trans-77.2128.9-178.1173.60000110.6V233 V235 G236 Q237 F282 D289 Y290 L310V233-V285 HydrophobicContact CB-CG2 4.33Å; V233-V285 HydrophobicContact CG1-CB 4.4Å; V233-V285 HydrophobicContact CG1-CG2 4.01Å; V235-V285 WeakPolarHBondContact CA-O 3.46Å; G236-V285 PolarHBondContact N-O 3.07Å; Q237-V285 WeakPolarHBondContact O-CG2 3.4Å; Q237-V285 PolarHBondContact O-N 2.88Å; F282-V285 HydrophobicContact CB-CG2 3.67Å; F282-V285 HydrophobicContact CG-CG2 4.19Å; V285-D289 HydrophobicContact CG1-CB 4.32Å; V285-Y290 HydrophobicContact CG1-CD1 4.32Å; V285-Y290 HydrophobicContact CG1-CE1 3.58Å; V285-Y290 HydrophobicContact CG1-CE2 4.44Å; V285-L310 HydrophobicContact CG1-CD2 4.18Å; V285-L310 HydrophobicContact CG2-CD2 4.37Å
286S93.8Very high95.2Very high42 Ų4250 Ų5029%0.29425%0.252SS..  trans-107165.5170.773.40000111.7H288 D289S286-H288 PolarHBondContact O-N 2.92Å; S286-H288 VanDerWaalsContact O-N 3.09Å; S286-H288 PolarHBondContact OG-N 3.18Å; S286-D289 WeakPolarHBondContact CB-OD2 3.36Å; S286-D289 PolarHBondContact N-OD2 2.86Å; S286-D289 WeakPolarHBondContact O-CB 3.29Å; S286-D289 PolarHBondContact O-N 3.2Å; S286-D289 PolarHBondContact OG-OD2 2.78Å
287E93.1Very high95.4Very high138 Ų13844.7 Ų44.765%0.64523%0.228SC*.THydrogen-bonded Turntrans-56.1-28.2175.3-66-179.4-177.900112.9V235 D289 Y290V235-E287 HydrophobicContact CG2-CG 4.06Å; E287-D289 VanDerWaalsContact C-N 3.28Å; E287-D289 PolarHBondContact O-N 3.1Å; E287-Y290 WeakPolarHBondContact O-CD2 3.26Å
288H91.7Very high95.4Very high159 Ų15944.1 Ų44.174%0.73623%0.228SC*.THydrogen-bonded Turntrans-79.7-13.4-178.8-60.360.4000112.3K257 S286K257-H288 PolarHBondContact NZ-O 3.28Å; S286-H288 PolarHBondContact O-N 2.92Å; S286-H288 VanDerWaalsContact O-N 3.09Å; S286-H288 PolarHBondContact OG-N 3.18Å
289D92.8Very high95.4Very high34 Ų3445.3 Ų45.318%0.18223%0.234CC..THydrogen-bonded Turntrans-84.8-22.3179.2-63.1-50.9000111.9K257 F282 V285 S286 E287 Y293 L310K257-D289 PolarHBondContact NZ-O 3Å; K257-D289 VanDerWaalsContact NZ-O 3.14Å; F282-D289 HydrophobicContact CD1-CB 4.17Å; F282-D289 HydrophobicContact CE1-CB 4.11Å; V285-D289 HydrophobicContact CG1-CB 4.32Å; S286-D289 WeakPolarHBondContact CB-OD2 3.36Å; S286-D289 PolarHBondContact N-OD2 2.86Å; S286-D289 WeakPolarHBondContact O-CB 3.29Å; S286-D289 PolarHBondContact O-N 3.2Å; S286-D289 PolarHBondContact OG-OD2 2.78Å; E287-D289 VanDerWaalsContact C-N 3.28Å; E287-D289 PolarHBondContact O-N 3.1Å; D289-Y293 VanDerWaalsContact O-CE2 3.23Å; D289-Y293 WeakPolarHBondContact O-CE2 3.28Å; D289-Y293 VanDerWaalsContact O-CZ 3.3Å; D289-Y293 PolarHBondContact O-OH 2.82Å; D289-L310 HydrophobicContact CB-CD2 4.09Å
290Y95.6Very high95.5Very high38 Ų3849.4 Ų49.415%0.14925%0.252CS..  trans-60.6155.6175.8-60.3-55.1000112.2V233 V235 K257 V285 E287 L310 F311 E312V233-Y290 WeakPolarHBondContact O-CE1 3.28Å; V233-Y290 PolarHBondContact O-OH 3.25Å; V235-Y290 HydrophobicContact CG2-CE2 4.04Å; V235-Y290 PolarHBondContact N-OH 2.85Å; K257-Y290 PolarHBondContact NZ-O 2.93Å; K257-Y290 VanDerWaalsContact NZ-O 3.11Å; V285-Y290 HydrophobicContact CG1-CD1 4.32Å; V285-Y290 HydrophobicContact CG1-CE1 3.58Å; V285-Y290 HydrophobicContact CG1-CE2 4.44Å; E287-Y290 WeakPolarHBondContact O-CD2 3.26Å; Y290-L310 WeakPolarHBondContact CA-O 3.15Å; Y290-L310 HydrophobicContact CD1-CD2 4.24Å; Y290-L310 HydrophobicContact CD1-CG 3.99Å; Y290-L310 HydrophobicContact CE1-CG 4.38Å; Y290-F311 WeakPolarHBondContact CE1-O 3.44Å; Y290-E312 HydrophobicContact CD1-CB 4.46Å; Y290-E312 HydrophobicContact CD2-CB 4.14Å; Y290-E312 VanDerWaalsContact CE1-CA 3.49Å; Y290-E312 HydrophobicContact CE1-CB 3.97Å; Y290-E312 VanDerWaalsContact CE1-N 3.34Å; Y290-E312 HydrophobicContact CE2-CB 3.61Å; Y290-E312 HydrophobicContact CE2-CG 3.92Å
291G95.8Very high95.5Very high25 Ų2552.4 Ų52.426%0.25827%0.268SS..EExtended strand (participates in β ladder)trans125.8-167.7-179.900000113.5L310G291-L310 PolarHBondContact N-O 3Å; G291-L310 PolarHBondContact O-N 2.85Å
292N97.2Very high95.6Very high90 Ų9053.1 Ų53.148%0.48128%0.278SS..EExtended strand (participates in β ladder)trans-89.8136.4-178.3-72.2-26.7000111.3
293Y97.1Very high95.8Very high4 Ų459.6 Ų59.62%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-119135.3174.5-70.4-95.8000108.6L241 Y256 K257 L262 L280 F282 D289 S307 I308 L310L241-Y293 HydrophobicContact CD1-CD1 4.46Å; L241-Y293 HydrophobicContact CD1-CD2 3.52Å; L241-Y293 HydrophobicContact CD1-CE2 4.26Å; L241-Y293 HydrophobicContact CD1-CG 3.64Å; Y256-Y293 CarbonylContact O-C 3.55Å; Y256-Y293 WeakPolarHBondContact O-CA 3.5Å; K257-Y293 HydrophobicContact CB-CD1 3.96Å; K257-Y293 HydrophobicContact CB-CE1 3.81Å; K257-Y293 HydrophobicContact CD-CE1 3.75Å; K257-Y293 HydrophobicContact CG-CD1 4.22Å; K257-Y293 HydrophobicContact CG-CE1 3.86Å; K257-Y293 PolarHBondContact NZ-OH 2.76Å; L262-Y293 HydrophobicContact CD1-CD1 3.76Å; L262-Y293 HydrophobicContact CD1-CE1 3.78Å; L280-Y293 HydrophobicContact CD2-CD1 3.54Å; L280-Y293 HydrophobicContact CD2-CE1 3.87Å; L280-Y293 HydrophobicContact CD2-CG 4.2Å; F282-Y293 HydrophobicContact CE1-CE1 4.24Å; F282-Y293 AromaticContact CE1-CZ 3.87Å; F282-Y293 WeakPolarHBondContact CE1-OH 3.45Å; F282-Y293 HydrophobicContact CZ-CD1 4.45Å; F282-Y293 AromaticContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE1 3.71Å; F282-Y293 HydrophobicContact CZ-CE2 4.02Å; F282-Y293 AromaticContact CZ-CZ 3.47Å; F282-Y293 VanDerWaalsContact CZ-CZ 3.47Å; F282-Y293 WeakPolarHBondContact CZ-OH 3.5Å; D289-Y293 VanDerWaalsContact O-CE2 3.23Å; D289-Y293 WeakPolarHBondContact O-CE2 3.28Å; D289-Y293 VanDerWaalsContact O-CZ 3.3Å; D289-Y293 PolarHBondContact O-OH 2.82Å; Y293-S307 CarbonylContact O-C 3.57Å; Y293-S307 WeakPolarHBondContact O-CA 3.31Å; Y293-I308 PolarHBondContact N-O 3.02Å; Y293-I308 PolarHBondContact O-N 2.96Å; Y293-L310 HydrophobicContact CD2-CB 4.26Å; Y293-L310 HydrophobicContact CE2-CB 3.9Å; Y293-L310 HydrophobicContact CE2-CD2 4.42Å
294T97.8Very high96Very high41 Ų4155.9 Ų55.925%0.25230%0.295SS..EExtended strand (participates in β ladder)trans-101119.9176-57.80000109.3W255 Y256 V296 N305 A306W255-T294 CarbonylContact C-O 3.53Å; W255-T294 WeakPolarHBondContact CA-O 3.34Å; Y256-T294 PolarHBondContact N-O 2.86Å; Y256-T294 PolarHBondContact O-N 2.8Å; T294-V296 HydrophobicContact CG2-CG2 4.08Å; T294-N305 HydrophobicContact CG2-CB 3.9Å; T294-A306 WeakPolarHBondContact CA-O 3.48Å
295C97.4Very high96.2Very high0 Ų055.6 Ų55.60%029%0.293CS..EExtended strand (participates in β ladder)trans-88.9129.4166.2171.90000108.5C243 W255 N305 A306 I308C243-C295 HydrophobicContact CB-CB 3.6Å; C243-C295 WeakPolarHBondContact CB-SG 3.49Å; C243-C295 WeakPolarHBondContact SG-CB 3.49Å; C243-C295 CovalentContact SG-SG 2.04Å; C243-C295 PolarHBondContact SG-SG 3.46Å; W255-C295 HydrophobicContact CD2-CB 4.31Å; W255-C295 HydrophobicContact CE3-CB 4.05Å; W255-C295 HydrophobicContact CH2-CB 3.98Å; W255-C295 HydrophobicContact CZ2-CB 4.2Å; W255-C295 HydrophobicContact CZ3-CB 3.89Å; C295-N305 CarbonylContact O-C 3.4Å; C295-N305 WeakPolarHBondContact O-CA 3.44Å; C295-N305 WeakPolarHBondContact O-CB 3.31Å; C295-A306 PolarHBondContact N-O 3.04Å; C295-A306 PolarHBondContact O-N 3.02Å; C295-I308 HydrophobicContact CB-CD1 3.97Å
296V97.5Very high96.4Very high22 Ų2256.5 Ų56.513%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-116.2124.7174.4-177.60000108.3F253 Q254 Y256 T294 T304 N305F253-V296 CarbonylContact C-O 3.53Å; F253-V296 WeakPolarHBondContact CA-O 3.45Å; Q254-V296 PolarHBondContact N-O 3.14Å; Q254-V296 PolarHBondContact O-N 2.84Å; Y256-V296 HydrophobicContact CD2-CG2 3.75Å; Y256-V296 HydrophobicContact CE2-CB 4.21Å; Y256-V296 HydrophobicContact CE2-CG2 3.7Å; T294-V296 HydrophobicContact CG2-CG2 4.08Å; V296-T304 WeakPolarHBondContact CA-O 3.35Å; V296-N305 HydrophobicContact CG2-CB 3.97Å
297A98.1Very high96.6Very high0 Ų058.2 Ų58.20%031%0.313CS..EExtended strand (participates in β ladder)trans-110.5130.3173.800000109.2P223 A245 A251 E252 F253 H303 T304P223-A297 HydrophobicContact CB-CB 3.98Å; A245-A297 HydrophobicContact CB-CB 3.77Å; A251-A297 HydrophobicContact CB-CB 4.14Å; E252-A297 WeakPolarHBondContact O-CA 3.1Å; F253-A297 HydrophobicContact CD1-CB 3.95Å; F253-A297 HydrophobicContact CE1-CB 3.77Å; F253-A297 HydrophobicContact CZ-CB 4.4Å; A297-H303 CarbonylContact O-C 3.58Å; A297-H303 WeakPolarHBondContact O-CA 3.33Å; A297-T304 HydrophobicContact CB-CG2 4.26Å; A297-T304 PolarHBondContact N-O 3.28Å; A297-T304 PolarHBondContact O-N 3.37Å
298S97.1Very high96.8Very high27 Ų2751.8 Ų51.819%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-140.3145.3-174.260.90000112.6A251 E252 G302A251-S298 CarbonylContact C-O 3.48Å; A251-S298 WeakPolarHBondContact CA-O 3.03Å; E252-S298 PolarHBondContact N-O 3.44Å; E252-S298 PolarHBondContact O-N 3.47Å; E252-S298 PolarHBondContact O-OG 3.06Å; S298-G302 WeakPolarHBondContact CA-O 3.42Å
299N97.3Very high97Very high26 Ų2649 Ų4914%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-141.1-174.6166.576.45.7000109.4Y221 P223 P249 L301 G302Y221-N299 PolarHBondContact O-ND2 3.39Å; P223-N299 WeakPolarHBondContact CD-OD1 3.49Å; P223-N299 HydrophobicContact CG-CB 4.08Å; P249-N299 PolarHBondContact O-ND2 2.53Å; N299-L301 PolarHBondContact O-N 3.25Å; N299-L301 WeakPolarHBondContact OD1-CA 3.27Å; N299-L301 WeakPolarHBondContact OD1-CB 3.33Å; N299-L301 PolarHBondContact OD1-N 3.34Å; N299-G302 PolarHBondContact N-O 3.44Å; N299-G302 PolarHBondContact O-N 3.45Å; N299-G302 VanDerWaalsContact O-O 3.07Å; N299-G302 PolarHBondContact OD1-N 3.37Å
300K97.1Very high97.2Very high154 Ų15447.4 Ų47.467%0.6726%0.263SS*.THydrogen-bonded Turntrans-60.2-15.5-179.570.5178.9-175.3178.20115.2P249P249-K300 HydrophobicContact CG-CD 4.16Å; P249-K300 HydrophobicContact CG-CG 4.44Å
301L97.5Very high97.3Very high63 Ų6350 Ų5033%0.3328%0.275SS..THydrogen-bonded Turntrans-100.1-14.7-177.7-63.7174.4000113.1N220 P222 N299N220-L301 HydrophobicContact CB-CD1 3.65Å; P222-L301 HydrophobicContact CB-CB 4.08Å; N299-L301 PolarHBondContact O-N 3.25Å; N299-L301 WeakPolarHBondContact OD1-CA 3.27Å; N299-L301 WeakPolarHBondContact OD1-CB 3.33Å; N299-L301 PolarHBondContact OD1-N 3.34Å
302G97.3Very high97.3Very high25 Ų2553 Ų5326%0.25828%0.282SS..EExtended strand (participates in β ladder)trans159-169.6-179.500000113.4P223 S298 N299P223-G302 WeakPolarHBondContact CD-O 3.44Å; S298-G302 WeakPolarHBondContact CA-O 3.42Å; N299-G302 PolarHBondContact N-O 3.44Å; N299-G302 PolarHBondContact O-N 3.45Å; N299-G302 VanDerWaalsContact O-O 3.07Å; N299-G302 PolarHBondContact OD1-N 3.37Å
303H97.4Very high97.1Very high138 Ų13851.8 Ų51.864%0.63928%0.278SS*.EExtended strand (participates in β ladder)trans-143.9158.1178.765-79000111A297A297-H303 CarbonylContact O-C 3.58Å; A297-H303 WeakPolarHBondContact O-CA 3.33Å
304T97.9Very high96.5Very high43 Ų4359.3 Ų59.326%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-142.9163.3172.6-169.30000109.3P223 I225 V296 A297P223-T304 HydrophobicContact CB-CG2 4.13Å; P223-T304 WeakPolarHBondContact O-CB 3.36Å; P223-T304 WeakPolarHBondContact O-CG2 3.3Å; I225-T304 HydrophobicContact CB-CG2 4.47Å; I225-T304 HydrophobicContact CD1-CG2 3.82Å; I225-T304 HydrophobicContact CG1-CG2 3.69Å; V296-T304 WeakPolarHBondContact CA-O 3.35Å; A297-T304 HydrophobicContact CB-CG2 4.26Å; A297-T304 PolarHBondContact N-O 3.28Å; A297-T304 PolarHBondContact O-N 3.37Å
305N97.4Very high95.3Very high98 Ų9862.5 Ų62.552%0.52433%0.331SS..EExtended strand (participates in β ladder)trans-143160.6179.665.732.8000112.8T294 C295 V296T294-N305 HydrophobicContact CG2-CB 3.9Å; C295-N305 CarbonylContact O-C 3.4Å; C295-N305 WeakPolarHBondContact O-CA 3.44Å; C295-N305 WeakPolarHBondContact O-CB 3.31Å; V296-N305 HydrophobicContact CG2-CB 3.97Å
306A97.6Very high93.8Very high19 Ų1968.8 Ų68.816%0.15737%0.369CS..EExtended strand (participates in β ladder)trans-144.4141.4173.100000110.7I225 A228 T294 C295I225-A306 HydrophobicContact CD1-CB 3.63Å; I225-A306 HydrophobicContact CG2-CB 4.09Å; A228-A306 HydrophobicContact CB-CB 3.72Å; T294-A306 WeakPolarHBondContact CA-O 3.48Å; C295-A306 PolarHBondContact N-O 3.04Å; C295-A306 PolarHBondContact O-N 3.02Å
307S97.1Very high92Very high78 Ų7871.6 Ų71.655%0.54540%0.395SS..EExtended strand (participates in β ladder)trans-88.9130.7173.1-178.40000110.3Y293Y293-S307 CarbonylContact O-C 3.57Å; Y293-S307 WeakPolarHBondContact O-CA 3.31Å
308I97.6Very high90.1Very high3 Ų379.7 Ų79.72%0.01544%0.437CS..EExtended strand (participates in β ladder)trans-130129.9-173.6-61.5168.1000108.6A228 K229 G230 L241 C243 W255 Y293 C295A228-I308 HydrophobicContact CB-CD1 3.91Å; A228-I308 HydrophobicContact CB-CG1 3.78Å; K229-I308 VanDerWaalsContact C-CG2 3.49Å; K229-I308 WeakPolarHBondContact O-CG2 3.42Å; G230-I308 VanDerWaalsContact CA-CG2 3.48Å; L241-I308 HydrophobicContact CB-CG2 4.05Å; L241-I308 HydrophobicContact CD1-CG2 4.1Å; L241-I308 HydrophobicContact CD2-CG2 3.98Å; L241-I308 HydrophobicContact CG-CG2 4.26Å; C243-I308 HydrophobicContact CB-CD1 3.98Å; W255-I308 HydrophobicContact CH2-CD1 3.46Å; W255-I308 VanDerWaalsContact CH2-CD1 3.46Å; W255-I308 HydrophobicContact CZ3-CB 4.41Å; W255-I308 HydrophobicContact CZ3-CD1 3.64Å; Y293-I308 PolarHBondContact N-O 3.02Å; Y293-I308 PolarHBondContact O-N 2.96Å; C295-I308 HydrophobicContact CB-CD1 3.97Å
309M97.3Very high87.9Confident102 Ų10284.2 Ų84.250%0.50246%0.463SS..EExtended strand (participates in β ladder)trans-97.1131.1-174.7-163.5176.5-171.400112.3G230 T231 F311G230-M309 WeakPolarHBondContact CA-O 3.3Å; T231-M309 PolarHBondContact N-O 2.73Å; T231-M309 VanDerWaalsContact N-O 3.16Å; M309-F311 HydrophobicContact CE-CB 4.33Å; M309-F311 HydrophobicContact CG-CB 4.44Å; M309-F311 HydrophobicContact CG-CD1 4.38Å
310L97Very high85.7Confident0 Ų088.5 Ų88.50%049%0.493CS..EExtended strand (participates in β ladder)trans-100.5123.8159.9-172.474.8000108V233 L241 F282 V285 D289 Y290 G291 Y293V233-L310 HydrophobicContact CG2-CD1 4Å; L241-L310 HydrophobicContact CD1-CB 4.39Å; L241-L310 HydrophobicContact CD2-CB 4.17Å; L241-L310 HydrophobicContact CD2-CD1 3.96Å; F282-L310 HydrophobicContact CD1-CD2 4.39Å; F282-L310 HydrophobicContact CD2-CD2 4.3Å; F282-L310 HydrophobicContact CE1-CD2 4.18Å; F282-L310 HydrophobicContact CE2-CD2 4.1Å; F282-L310 HydrophobicContact CG-CD2 4.46Å; F282-L310 HydrophobicContact CZ-CD2 4.04Å; V285-L310 HydrophobicContact CG1-CD2 4.18Å; V285-L310 HydrophobicContact CG2-CD2 4.37Å; D289-L310 HydrophobicContact CB-CD2 4.09Å; Y290-L310 WeakPolarHBondContact CA-O 3.15Å; Y290-L310 HydrophobicContact CD1-CD2 4.24Å; Y290-L310 HydrophobicContact CD1-CG 3.99Å; Y290-L310 HydrophobicContact CE1-CG 4.38Å; G291-L310 PolarHBondContact N-O 3Å; G291-L310 PolarHBondContact O-N 2.85Å; Y293-L310 HydrophobicContact CD2-CB 4.26Å; Y293-L310 HydrophobicContact CE2-CB 3.9Å; Y293-L310 HydrophobicContact CE2-CD2 4.42Å
311F96.3Very high83.7Confident92 Ų9292 Ų9240%0.40450%0.502SS..EExtended strand (participates in β ladder)trans-132.5154.6-176.560-88.4000112.6T231 G232 V233 Y290 M309 V313T231-F311 PolarHBondContact O-N 3Å; G232-F311 CarbonylContact C-O 3.58Å; G232-F311 VanDerWaalsContact CA-O 3.25Å; G232-F311 WeakPolarHBondContact CA-O 3.18Å; V233-F311 PolarHBondContact N-O 2.72Å; Y290-F311 WeakPolarHBondContact CE1-O 3.44Å; M309-F311 HydrophobicContact CE-CB 4.33Å; M309-F311 HydrophobicContact CG-CB 4.44Å; M309-F311 HydrophobicContact CG-CD1 4.38Å; F311-V313 HydrophobicContact CD2-CG2 4.2Å; F311-V313 HydrophobicContact CE2-CG2 3.93Å
312E96Very high81.5Confident88 Ų8898.4 Ų98.441%0.41153%0.527SS..EExtended strand (participates in β ladder)trans-74.8135.4179.7-170.1-174.9175.500110.8Y290Y290-E312 HydrophobicContact CD1-CB 4.46Å; Y290-E312 HydrophobicContact CD2-CB 4.14Å; Y290-E312 VanDerWaalsContact CE1-CA 3.49Å; Y290-E312 HydrophobicContact CE1-CB 3.97Å; Y290-E312 VanDerWaalsContact CE1-N 3.34Å; Y290-E312 HydrophobicContact CE2-CB 3.61Å; Y290-E312 HydrophobicContact CE2-CG 3.92Å
313V94Very high79.5Confident65 Ų6599.3 Ų99.339%0.39454%0.537SS..  trans-115.1118166.1177.70000107.9G232 V233 P234 F311 T315G232-V313 VanDerWaalsContact C-CG2 3.46Å; G232-V313 VanDerWaalsContact CA-CG2 3.47Å; V233-V313 PolarHBondContact O-N 2.77Å; P234-V313 WeakPolarHBondContact CA-O 3.48Å; P234-V313 WeakPolarHBondContact CB-O 3.35Å; P234-V313 WeakPolarHBondContact CG-O 3.47Å; F311-V313 HydrophobicContact CD2-CG2 4.2Å; F311-V313 HydrophobicContact CE2-CG2 3.93Å; V313-T315 PolarHBondContact O-N 2.84Å
314K85.1Confident77.5Confident162 Ų16298.6 Ų98.670%0.70454%0.544SS*.  trans-76.5119.1176.3-66.2-174.2179.2-1770109.2T316K314-T316 PolarHBondContact O-N 3.08Å
315T71.2Confident75.1Confident108 Ų10899.7 Ų99.766%0.66357%0.565SS**  trans-71.6107.2169.8-8.30000108.4V313 A317V313-T315 PolarHBondContact O-N 2.84Å; T315-A317 PolarHBondContact O-N 2.93Å
316T65.8Low72.3Confident132 Ų132100.2 Ų100.281%0.8158%0.582SS**  trans-68.1104.5172.1-38.20000108K314 L318K314-T316 PolarHBondContact O-N 3.08Å; T316-L318 PolarHBondContact O-N 2.9Å
317A60.4Low69.7Low81 Ų81105.5 Ų105.567%0.66961%0.612SS**  trans-61.6119.5167.500000107.6T315 T319T315-A317 PolarHBondContact O-N 2.93Å; A317-T319 VanDerWaalsContact C-N 3.33Å; A317-T319 PolarHBondContact O-N 2.86Å
318L58Low66.9Low169 Ų169106.9 Ų106.989%0.88562%0.622SS**  trans-59.8103164.4-71.7169.7000106.3T316 P320T316-L318 PolarHBondContact O-N 2.9Å; L318-P320 WeakPolarHBondContact O-CD 3.5Å
319T51.4Low64Low122 Ų122115.7 Ų115.775%0.74866%0.663SS**  trans-56.4125.1170.643.30000107.4A317 W321A317-T319 VanDerWaalsContact C-N 3.33Å; A317-T319 PolarHBondContact O-N 2.86Å; T319-W321 PolarHBondContact O-N 2.88Å; T319-W321 VanDerWaalsContact O-N 3.07Å
320P50.8Low61.1Low117 Ų117117.1 Ų117.176%0.7668%0.677SS**  trans-56.1120.9173.4-20.830.7000108.2L318 K322L318-P320 WeakPolarHBondContact O-CD 3.5Å; P320-K322 PolarHBondContact O-N 3.27Å
321W54Low58.3Low228 Ų228121.6 Ų121.686%0.86471%0.708SS**  trans-59.1101.5174.4-179.5-87.3000108.3T319 G323T319-W321 PolarHBondContact O-N 2.88Å; T319-W321 VanDerWaalsContact O-N 3.07Å; W321-G323 PolarHBondContact O-N 3.25Å; W321-G323 VanDerWaalsContact O-N 3.13Å
322K52.7Low55.3Low196 Ų196124.9 Ų124.985%0.85273%0.73SS**  trans-7598.6165-72.6-173.1178.4-178.70105.9P320P320-K322 PolarHBondContact O-N 3.27Å
323G54.7Low52.5Low45 Ų45123.9 Ų123.946%0.46474%0.743SS.*PPolyproline II helixtrans-53.4148.6175.400000111.4W321 G325W321-G323 PolarHBondContact O-N 3.25Å; W321-G323 VanDerWaalsContact O-N 3.13Å; G323-G325 PolarHBondContact O-N 3.1Å
324P56Low49.8Very low122 Ų122127.9 Ų127.979%0.79277%0.768SS**PPolyproline II helixtrans-58.2138.8173.922.6-30.6000110.2
325G46.9Very low47.4Very low67 Ų67125.6 Ų125.669%0.69177%0.772SS**PPolyproline II helixtrans-54.3146.2-169.700000114.3G323 V327G323-G325 PolarHBondContact O-N 3.1Å; G325-V327 PolarHBondContact O-N 2.99Å
326A39.5Very low45.7Very low108 Ų108132.1 Ų132.189%0.89379%0.785SS**  trans-59.3107.3168.200000109.2S328A326-S328 PolarHBondContact O-N 3.49Å
327V42.6Very low44.5Very low131 Ų131137.8 Ų137.879%0.79479%0.791SS**  trans-70.8118.7158.8-179.80000105.7G325 E329G325-V327 PolarHBondContact O-N 2.99Å; V327-E329 PolarHBondContact O-N 3.5Å; V327-E329 VanDerWaalsContact O-N 3.09Å
328S38.3Very low43.4Very low106 Ų106138.9 Ų138.974%0.74180%0.801SS**  trans-64.2105.9170.250.80000109.1A326 V330A326-S328 PolarHBondContact O-N 3.49Å; S328-V330 PolarHBondContact O-N 3.28Å
329E36Very low42.3Very low188 Ų188134.5 Ų134.588%0.87980%0.796SS**  trans-68.5116.9166.5-82.4-179.2156.900109.5V327V327-E329 PolarHBondContact O-N 3.5Å; V327-E329 VanDerWaalsContact O-N 3.09Å
330V37.2Very low41.4Very low133 Ų133134.3 Ų134.381%0.80680%0.799SS**  trans-68.8129.1160.2172.50000107.5S328S328-V330 PolarHBondContact O-N 3.28Å
331S37.1Very low40.6Very low93 Ų93134.9 Ų134.965%0.6580%0.799SS**  trans-43.9129177.852.30000114.6
332N33.7Very low39.7Very low162 Ų162135.3 Ų135.387%0.86680%0.801SS**  -172.9124.8117.5-95.3-17.3000111.9
333G38.3Very low38.8Very low66 Ų66133.9 Ų133.968%0.6880%0.802SS**SBendtrans97.3105.3149.300000117.5
334T36.1Very low37.8Very low150 Ų150139.3 Ų139.392%0.9282%0.819SS**  trans80.7117151.256.50000120.2
335S35.4Very low37Very low113 Ų113139.3 Ų139.379%0.7982%0.819SS**  trans-64.9127.6176.6174.50000113.7
336R35.8Very low36.5Very low246 Ų246144.1 Ų144.193%0.92883%0.829SS**  trans-143.8123.9147-71.7-164.1-178.3-162.70.7110.6
337R39.6Very low36.3Very low250 Ų250146.7 Ų146.794%0.94383%0.826SS**  trans-66.4127.4172-74.2178.2-176178.41109.9
338A37.7Very low36Very low105 Ų105146.6 Ų146.687%0.86883%0.826SS**  trans-106.4113163.200000109
339G34.1Very low35.7Very low76 Ų76148.5 Ų148.578%0.78483%0.827SS**PPolyproline II helixtrans-84.7134.9167.800000109.8
340C34.1Very low35.7Very low119 Ų119147.4 Ų147.480%0.80482%0.821SS**PPolyproline II helixtrans-93.5119.3178.7-141.40000109.3
341V34Very low35.5Very low128 Ų128147.4 Ų147.478%0.77682%0.816SS**PPolyproline II helixtrans-93.1121.3175.3175.70000108.4
342W33.3Very low35.5Very low237 Ų237151.1 Ų151.190%0.89883%0.828SS**PPolyproline II helixtrans-83.2119.8172.4-69.187.2000109.7
343L33.6Very low35.6Very low167 Ų167150.7 Ų150.787%0.87482%0.824SS**  trans-90.1115.1168.1-82.5159000109.2
344L33.6Very low35.5Very low158 Ų158156.8 Ų156.883%0.82783%0.832SS**PPolyproline II helixtrans-80.9143.3166.4-83.1151.4000109.9
345P39.8Very low35.6Very low122 Ų122162.8 Ų162.879%0.79285%0.846SS**PPolyproline II helixtrans-81.6129.1171.75.811.4000110.9
346L35.9Very low35.6Very low169 Ų169165.3 Ų165.389%0.88585%0.849SS**PPolyproline II helixtrans-72.4129.1175.6-85.9146.2000111.7
347L35.4Very low35.6Very low162 Ų162161 Ų16185%0.84885%0.845SS**PPolyproline II helixtrans-65.3131163.8-94.596.7000110.4
348V36.1Very low35.4Very low128 Ų128156.1 Ų156.178%0.77684%0.839SS**  trans-94111.3165.9177.60000108.4
349L33.1Very low35.3Very low146 Ų146159.1 Ų159.176%0.76484%0.838SS**  trans-101.1107169.5-164.682.7000107.6L351L349-L351 HydrophobicContact CD2-CD1 4.29Å
350H35.1Very low35.3Very low166 Ų166164.3 Ų164.377%0.76984%0.841SS**  trans-93.1106.6171.4-112.3-36.8000109.9
351L33.8Very low35.4Very low133 Ų133167.3 Ų167.370%0.69684%0.843SS**  trans-76.3132156.1-92.1115.7000109.1L349L349-L351 HydrophobicContact CD2-CD1 4.29Å
352L36.7Very low35.5Very low170 Ų170170.1 Ų170.189%0.8985%0.848SS**  trans-123.3115.1159.2-81.2170.8000108.9
353L35.7Very low35.7Very low153 Ų153164.9 Ų164.980%0.80184%0.844SS**  trans-107.9126.6162.7-97.6157.7000107.7
354K36.2Very low35.9Very low195 Ų195164.8 Ų164.885%0.84884%0.842SS**  trans151.1100.4155-88171.4-178.9-175.80105.9
355F39.2Very low36.1Very low275 Ų275165.4 Ų165.4100%1.20684%0.843SS**  -163.1063.2-104.5-85000110

Retrieved 355 of 355 residues in 2053.7 ms (Link to these results)