A0A060D1Y7_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060D1Y7, Species MAIZE (Zea mays, Maize), Gene EREB116, Length 227 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
1M66.6Low70.2Confident239 Ų239161.6 Ų161.6100%1.17787%0.868SS**  089.50-65.7-17216900108.3
2H67Low69.3Low197 Ų197169.8 Ų169.891%0.91288%0.878SS**  trans-110.1102.3178.5-79101000108.3
3G66.4Low68.5Low76 Ų76161.6 Ų161.678%0.78486%0.86SS**  trans-80.1119.3-179.100000111.3R5G3-R5 PolarHBondContact O-N 3.41Å
4Q69.9Low68.1Low199 Ų199164.4 Ų164.493%0.9387%0.866SS**  trans-73.3114.8168.9-62.8-162.766.200109G6Q4-G6 PolarHBondContact O-N 3.45Å
5R66.3Low67.8Low242 Ų242157.9 Ų157.991%0.91386%0.855SS**  trans-81.8110.2169.3-77.7-176172.7-123.90.4108.6G3G3-R5 PolarHBondContact O-N 3.41Å
6G68.8Low67.9Low73 Ų73155.5 Ų155.575%0.75385%0.849SS**  trans-64.4134.5173.500000111.9Q4Q4-G6 PolarHBondContact O-N 3.45Å
7V75.3Confident67.4Low142 Ų142157.1 Ų157.186%0.86185%0.846SS**  trans-90.6109.9170179.90000107.2
8V76.9Confident67.2Low126 Ų126155.7 Ų155.776%0.76484%0.844SS**PPolyproline II helixtrans-81126173.61770000108.3
9P75.4Confident66.5Low103 Ų103156 Ų15667%0.66984%0.839SS**PPolyproline II helixtrans-74.6143171.529.6-32.2000110.6
10P72.5Confident65.7Low130 Ų130153.4 Ų153.484%0.84484%0.84SS**PPolyproline II helixtrans-68.3141.6178.427.3-32.8000111.6R12P10-R12 PolarHBondContact O-N 3.04Å
11R66.9Low65.2Low251 Ų251150.9 Ų150.995%0.94784%0.839SS**PPolyproline II helixtrans-62.8127.2178.2-71.5-161.2172-150.50.6111.1G13R11-G13 PolarHBondContact O-N 3.47Å
12R59.6Low64.4Low260 Ų260144.6 Ų144.698%0.98183%0.825SS**  trans-69.3114.9160.4-101.8-178.3177.4-146.20.3108.4P10P10-R12 PolarHBondContact O-N 3.04Å
13G59Low63.6Low63 Ų63138.4 Ų138.465%0.64982%0.815SS**  trans-170.2141.1170.400000109.5R11R11-G13 PolarHBondContact O-N 3.47Å
14E63.2Low62.9Low200 Ų200142.7 Ų142.794%0.93582%0.82SS**  trans86.486.8175.2-50.6-165.9129.700115.4
15G63.6Low61.6Low68 Ų68137.4 Ų137.470%0.70182%0.82SS**  trans-72.4152.3160.600000111K17G15-K17 PolarHBondContact O-N 3Å
16P68.6Low60.6Low119 Ų119135.1 Ų135.177%0.77382%0.816SS**  trans-73.2112.3177.828.8-32.1000110.4V18P16-V18 PolarHBondContact O-N 3.42Å; P16-V18 VanDerWaalsContact O-N 3.13Å
17K60.1Low59.9Low182 Ų182139.3 Ų139.379%0.79182%0.821SS**  trans-69.495.9160.7-172.8-175.2-179.8-1590107.2G15 E19G15-K17 PolarHBondContact O-N 3Å; K17-E19 PolarHBondContact O-N 3.25Å; K17-E19 VanDerWaalsContact O-N 3.12Å
18V64.7Low58.7Low133 Ų133135.1 Ų135.181%0.80681%0.806SS**  trans-76.696.5173.7-76.90000109.1P16P16-V18 PolarHBondContact O-N 3.42Å; P16-V18 VanDerWaalsContact O-N 3.13Å
19E53.7Low57.8Low161 Ų161136.9 Ų136.975%0.75281%0.806SS**  trans-74.5122.8172.5-165.7158.6117.600109.1K17 A21K17-E19 PolarHBondContact O-N 3.25Å; K17-E19 VanDerWaalsContact O-N 3.12Å; E19-A21 PolarHBondContact O-N 3.46Å; E19-A21 VanDerWaalsContact O-N 3.15Å
20A49.6Very low56.8Low103 Ų103137.7 Ų137.785%0.85181%0.814SS**  trans-69.4104.6-178.400000110.4
21A55.6Low56.1Low101 Ų101139.8 Ų139.884%0.83581%0.806SS**  trans-91.5110.6167.100000109.4E19E19-A21 PolarHBondContact O-N 3.46Å; E19-A21 VanDerWaalsContact O-N 3.15Å
22A49.4Very low55.9Low107 Ų107131 Ų13188%0.88478%0.783SS**  trans-65.4140.9168.400000111
23G50Low56Low68 Ų68122 Ų12270%0.70176%0.764SS**  trans130.893.9160.400000115.3
24N51.9Low56.1Low165 Ų165122.4 Ų122.488%0.88276%0.762SS**  164.791.6122-95.923.2000111.6F26N24-F26 VanDerWaalsContact C-N 3.34Å; N24-F26 PolarHBondContact O-N 2.78Å
25G42.1Very low56.1Low89 Ų89121.4 Ų121.492%0.91875%0.75SS**  52.215.7114.900000123.2
26F46.9Very low56.5Low193 Ų193120.4 Ų120.485%0.84674%0.735SS**  trans-90129.6170.1-161.3-108.9000110.1N24 G28N24-F26 VanDerWaalsContact C-N 3.34Å; N24-F26 PolarHBondContact O-N 2.78Å; F26-G28 PolarHBondContact O-N 3.45Å
27L53.2Low56.7Low161 Ų161120 Ų12084%0.84373%0.726SS**  trans-57.674.7176.7-101.869.3000111H29L27-H29 PolarHBondContact O-N 3.2Å
28G50.1Low57.6Low54 Ų54118.8 Ų118.856%0.55772%0.718SS**  trans-80.5117.6177.600000108.7F26 S30F26-G28 PolarHBondContact O-N 3.45Å; G28-S30 PolarHBondContact O-N 3.13Å; G28-S30 VanDerWaalsContact O-N 3.09Å
29H59Low58.2Low163 Ų163115.9 Ų115.976%0.75570%0.698SS**  trans-52.5120.2166-65.324.2000106.8L27 Y31L27-H29 PolarHBondContact O-N 3.2Å; H29-Y31 PolarHBondContact O-N 3.12Å
30S54.3Low59.6Low121 Ų121112.5 Ų112.585%0.84669%0.688SS**  trans-61.791.5178.8-54.50000108.7G28 S32G28-S30 PolarHBondContact O-N 3.13Å; G28-S30 VanDerWaalsContact O-N 3.09Å; S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.38Å
31Y56.2Low61.1Low173 Ų173110.2 Ų110.268%0.67867%0.668SS**  trans-63.796.6168.3-93.9-93.9000106.5H29 A33H29-Y31 PolarHBondContact O-N 3.12Å; Y31-A33 PolarHBondContact O-N 3.32Å
32S63.6Low62.3Low66 Ų66108.7 Ų108.746%0.46265%0.649SS.*  trans-56.7135.6172.4176.30000108.7S30 A34 R35 A36S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.38Å; S32-A34 PolarHBondContact O-N 3.08Å; S32-A34 VanDerWaalsContact O-N 3.09Å; S32-R35 WeakPolarHBondContact O-CA 3.27Å; S32-R35 WeakPolarHBondContact O-CB 3.36Å; S32-R35 PolarHBondContact O-N 3.05Å; S32-A36 PolarHBondContact O-N 2.85Å; S32-A36 VanDerWaalsContact O-N 3.15Å
33A61.3Low63.8Low71 Ų71110.1 Ų110.159%0.58764%0.639SS**Hα-helixtrans-51.2-36.117800000112.1Y31 R35 A36 D37Y31-A33 PolarHBondContact O-N 3.32Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 2.95Å; A33-A36 PolarHBondContact O-N 2.99Å; A33-A36 VanDerWaalsContact O-N 3.14Å; A33-D37 PolarHBondContact O-N 3.15Å
34A60.7Low65.4Low72 Ų72109.4 Ų109.460%0.59563%0.626SS**Hα-helixtrans-64.1-29.3175.700000113.9S32 Y38S32-A34 PolarHBondContact O-N 3.08Å; S32-A34 VanDerWaalsContact O-N 3.09Å; A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.01Å
35R64.4Low66.9Low180 Ų180104 Ų10468%0.67960%0.604SS**Hα-helixtrans-77.5-35.5173.3-100.1177.6160.7139.7-4.1111.7S32 A33 Y38 D39S32-R35 WeakPolarHBondContact O-CA 3.27Å; S32-R35 WeakPolarHBondContact O-CB 3.36Å; S32-R35 PolarHBondContact O-N 3.05Å; A33-R35 VanDerWaalsContact C-N 3.28Å; A33-R35 PolarHBondContact O-N 2.95Å; R35-Y38 PolarHBondContact O-N 3.2Å; R35-D39 WeakPolarHBondContact O-CB 3.49Å; R35-D39 PolarHBondContact O-N 2.81Å
36A71.6Confident68.8Low47 Ų47102.2 Ų102.239%0.38858%0.581SS.*Hα-helixtrans-65.9-42.2175.700000111.9S32 A33 Y38 D39 V40S32-A36 PolarHBondContact O-N 2.85Å; S32-A36 VanDerWaalsContact O-N 3.15Å; A33-A36 PolarHBondContact O-N 2.99Å; A33-A36 VanDerWaalsContact O-N 3.14Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.97Å; A36-D39 PolarHBondContact O-N 3.24Å; A36-V40 WeakPolarHBondContact O-CG1 3.37Å; A36-V40 PolarHBondContact O-N 2.97Å
37D72.2Confident70.6Confident111 Ų11198.5 Ų98.559%0.59457%0.57SS**Hα-helixtrans-65.3-35.6175.8-68.8-36000112A33 V40 A41A33-D37 PolarHBondContact O-N 3.15Å; D37-V40 WeakPolarHBondContact O-CG1 3.32Å; D37-A41 WeakPolarHBondContact O-CB 2.91Å; D37-A41 PolarHBondContact O-N 2.86Å
38Y79.1Confident71.9Confident156 Ų15694.8 Ų94.861%0.61255%0.554SS**Hα-helixtrans-70.8-47.1174.5-172.6-96.4000111.9A34 R35 A36 V40 A41 V42A34-Y38 WeakPolarHBondContact O-CB 3.14Å; A34-Y38 PolarHBondContact O-N 3.01Å; R35-Y38 PolarHBondContact O-N 3.2Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.97Å; Y38-V40 VanDerWaalsContact C-N 3.34Å; Y38-V40 PolarHBondContact O-N 2.85Å; Y38-A41 WeakPolarHBondContact O-CB 2.99Å; Y38-A41 PolarHBondContact O-N 3.19Å; Y38-A41 VanDerWaalsContact O-N 3.13Å; Y38-V42 HydrophobicContact CD1-CG2 3.9Å; Y38-V42 HydrophobicContact CE1-CG2 3.55Å; Y38-V42 WeakPolarHBondContact O-CG2 3.23Å; Y38-V42 PolarHBondContact O-N 2.76Å
39D77.1Confident72.9Confident72 Ų7299.1 Ų99.139%0.38556%0.559SS.*Hα-helixtrans-61.3-41.2179.1-77.8-20.1000111.5R35 A36 A41 V42 M43R35-D39 WeakPolarHBondContact O-CB 3.49Å; R35-D39 PolarHBondContact O-N 2.81Å; A36-D39 PolarHBondContact O-N 3.24Å; D39-A41 VanDerWaalsContact C-N 3.34Å; D39-A41 PolarHBondContact O-N 3.43Å; D39-V42 PolarHBondContact O-N 2.75Å; D39-M43 WeakPolarHBondContact O-CB 3.49Å; D39-M43 WeakPolarHBondContact O-CG 3.38Å; D39-M43 PolarHBondContact O-N 3.3Å
40V82.4Confident73.6Confident90 Ų9096 Ų9655%0.54555%0.551SS.*Hα-helixtrans-66.4-36.3175.471.50000111.9A36 D37 Y38 M43 A44A36-V40 WeakPolarHBondContact O-CG1 3.37Å; A36-V40 PolarHBondContact O-N 2.97Å; D37-V40 WeakPolarHBondContact O-CG1 3.32Å; Y38-V40 VanDerWaalsContact C-N 3.34Å; Y38-V40 PolarHBondContact O-N 2.85Å; V40-M43 PolarHBondContact O-N 3.47Å; V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.39Å; V40-A44 PolarHBondContact O-N 2.78Å
41A81.3Confident74.6Confident54 Ų5494.3 Ų94.345%0.44654%0.536SS..Hα-helixtrans-66.9-41.6175.900000111.9D37 Y38 D39 A44 A45D37-A41 WeakPolarHBondContact O-CB 2.91Å; D37-A41 PolarHBondContact O-N 2.86Å; Y38-A41 WeakPolarHBondContact O-CB 2.99Å; Y38-A41 PolarHBondContact O-N 3.19Å; Y38-A41 VanDerWaalsContact O-N 3.13Å; D39-A41 VanDerWaalsContact C-N 3.34Å; D39-A41 PolarHBondContact O-N 3.43Å; A41-A44 PolarHBondContact O-N 3.13Å; A41-A45 WeakPolarHBondContact O-CB 3.29Å; A41-A45 PolarHBondContact O-N 2.87Å
42V81.3Confident75Confident69 Ų6989.9 Ų89.942%0.41853%0.529SS..Hα-helixtrans-63.2-45.2175.1173.10000110.7Y38 D39 A44 A45 A46Y38-V42 HydrophobicContact CD1-CG2 3.9Å; Y38-V42 HydrophobicContact CE1-CG2 3.55Å; Y38-V42 WeakPolarHBondContact O-CG2 3.23Å; Y38-V42 PolarHBondContact O-N 2.76Å; D39-V42 PolarHBondContact O-N 2.75Å; V42-A44 PolarHBondContact O-N 3.1Å; V42-A45 PolarHBondContact O-N 2.98Å; V42-A46 WeakPolarHBondContact O-CB 3.07Å; V42-A46 PolarHBondContact O-N 3.25Å
43M81.3Confident74.7Confident138 Ų13890.8 Ų90.868%0.6854%0.541SS*.Hα-helixtrans-62.5-41.6175.7-70.6-66.4-132.800111.9D39 V40 L47D39-M43 WeakPolarHBondContact O-CB 3.49Å; D39-M43 WeakPolarHBondContact O-CG 3.38Å; D39-M43 PolarHBondContact O-N 3.3Å; V40-M43 PolarHBondContact O-N 3.47Å; M43-L47 WeakPolarHBondContact O-CB 3.16Å; M43-L47 PolarHBondContact O-N 2.85Å
44A84.1Confident74.2Confident53 Ų5392.1 Ų92.144%0.43854%0.542SS..Hα-helixtrans-66.7-39.3177.300000112.8V40 A41 V42 T48V40-A44 VanDerWaalsContact O-CB 3.27Å; V40-A44 WeakPolarHBondContact O-CB 3.39Å; V40-A44 PolarHBondContact O-N 2.78Å; A41-A44 PolarHBondContact O-N 3.13Å; V42-A44 PolarHBondContact O-N 3.1Å; A44-T48 WeakPolarHBondContact O-CB 3.29Å; A44-T48 PolarHBondContact O-N 3.21Å; A44-T48 PolarHBondContact O-OG1 2.7Å
45A82.5Confident73.5Confident51 Ų5196.9 Ų96.942%0.42155%0.551SS.*Hα-helixtrans-67-44.817600000111.6A41 V42 L47 T48 H49A41-A45 WeakPolarHBondContact O-CB 3.29Å; A41-A45 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 2.98Å; A45-L47 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 2.87Å; A45-T48 PolarHBondContact O-N 2.89Å; A45-H49 PolarHBondContact O-CD2 3.42Å; A45-H49 PolarHBondContact O-N 3.22Å
46A81.7Confident73.4Confident52 Ų5292.8 Ų92.843%0.4355%0.548SS..Hα-helixtrans-60.3-44.5175.900000111.6V42 H49 V50V42-A46 WeakPolarHBondContact O-CB 3.07Å; V42-A46 PolarHBondContact O-N 3.25Å; A46-H49 PolarHBondContact O-N 2.93Å; A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 2.91Å; A46-V50 VanDerWaalsContact O-N 3.07Å
47L85.4Confident73Confident115 Ų11596 Ų9660%0.60257%0.566SS**Hα-helixtrans-68.2-36.8179.4-148.7153.3000111.6M43 A45 V50 V51M43-L47 WeakPolarHBondContact O-CB 3.16Å; M43-L47 PolarHBondContact O-N 2.85Å; A45-L47 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 2.87Å; L47-V50 PolarHBondContact O-N 2.91Å; L47-V51 HydrophobicContact CD2-CG2 3.85Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.18Å; L47-V51 PolarHBondContact O-N 2.86Å
48T81.2Confident72.5Confident83 Ų8396.1 Ų96.151%0.50957%0.572SS.*Hα-helixtrans-61.6-44.6172.6-62.90000111.4A44 A45 V50 V51 C52A44-T48 WeakPolarHBondContact O-CB 3.29Å; A44-T48 PolarHBondContact O-N 3.21Å; A44-T48 PolarHBondContact O-OG1 2.7Å; A45-T48 PolarHBondContact O-N 2.89Å; T48-V50 VanDerWaalsContact C-N 3.34Å; T48-V50 PolarHBondContact O-N 2.88Å; T48-V51 PolarHBondContact O-N 2.85Å; T48-C52 WeakPolarHBondContact O-CB 3.24Å; T48-C52 PolarHBondContact O-N 2.92Å; T48-C52 PolarHBondContact O-SG 3.17Å; T48-C52 VanDerWaalsContact O-SG 3.35Å
49H70.3Confident71.4Confident144 Ų14494.9 Ų94.967%0.66758%0.583SS**Hα-helixtrans-63.4-37.6176.7-84.4-55.7000112.8A45 A46 A53A45-H49 PolarHBondContact O-CD2 3.42Å; A45-H49 PolarHBondContact O-N 3.22Å; A46-H49 PolarHBondContact O-N 2.93Å; H49-A53 WeakPolarHBondContact O-CB 3.21Å; H49-A53 PolarHBondContact O-N 2.95Å
50V73.5Confident70.2Confident98 Ų98103.2 Ų103.259%0.59461%0.609SS**Hα-helixtrans-66.9-43.3174.7173.50000111.4A46 L47 T48 A53 T54A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 2.91Å; A46-V50 VanDerWaalsContact O-N 3.07Å; L47-V50 PolarHBondContact O-N 2.91Å; T48-V50 VanDerWaalsContact C-N 3.34Å; T48-V50 PolarHBondContact O-N 2.88Å; V50-A53 PolarHBondContact O-N 2.97Å; V50-T54 WeakPolarHBondContact O-CG2 3.42Å; V50-T54 PolarHBondContact O-N 3.13Å
51V75.3Confident68.2Low85 Ų85102.5 Ų102.552%0.51562%0.62SS.*Hα-helixtrans-67.1-43179.7171.90000111.3L47 T48 T54L47-V51 HydrophobicContact CD2-CG2 3.85Å; L47-V51 VanDerWaalsContact O-CG2 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.18Å; L47-V51 PolarHBondContact O-N 2.86Å; T48-V51 PolarHBondContact O-N 2.85Å; V51-T54 PolarHBondContact O-N 3.3Å; V51-T54 PolarHBondContact O-OG1 3.49Å
52C63.7Low66.4Low80 Ų80103.8 Ų103.854%0.54164%0.639SS.*Hα-helixtrans-71.4-27.1177.3-67.90000113.4T48 T54T48-C52 WeakPolarHBondContact O-CB 3.24Å; T48-C52 PolarHBondContact O-N 2.92Å; T48-C52 PolarHBondContact O-SG 3.17Å; T48-C52 VanDerWaalsContact O-SG 3.35Å; C52-T54 PolarHBondContact O-N 3.33Å
53A59.2Low64.7Low86 Ų86109.6 Ų109.671%0.71166%0.661SS**THydrogen-bonded Turntrans-73.9-9.7172.800000113.2H49 V50H49-A53 WeakPolarHBondContact O-CB 3.21Å; H49-A53 PolarHBondContact O-N 2.95Å; V50-A53 PolarHBondContact O-N 2.97Å
54T49.4Very low63Low98 Ų98107.5 Ų107.560%0.60167%0.666SS**  trans-107.952.817664.30000111.9V50 V51 C52 P56V50-T54 WeakPolarHBondContact O-CG2 3.42Å; V50-T54 PolarHBondContact O-N 3.13Å; V51-T54 PolarHBondContact O-N 3.3Å; V51-T54 PolarHBondContact O-OG1 3.49Å; C52-T54 PolarHBondContact O-N 3.33Å; T54-P56 WeakPolarHBondContact O-CD 3.41Å
55E46.8Very low61.5Low172 Ų172109.7 Ų109.780%0.80468%0.684SS**  trans-79.3110.5164.4-75.1-163.596.500109.6
56P61.3Low59.8Low94 Ų94112.2 Ų112.261%0.6171%0.705SS**PPolyproline II helixtrans-67.4138.7171.229.3-33.4000109.2T54T54-P56 WeakPolarHBondContact O-CD 3.41Å
57P63Low58.2Low116 Ų116117.8 Ų117.875%0.75373%0.727SS**PPolyproline II helixtrans-59.4140.3178.125.3-34000110.3
58P62.4Low57Low112 Ų112118.1 Ų118.173%0.72774%0.736SS**PPolyproline II helixtrans-63.8136.5-177.425.5-33.9000110.8R60P58-R60 PolarHBondContact O-N 3.01Å
59P56.2Low55.5Low131 Ų131120.3 Ų120.385%0.85175%0.751SS**  trans-68.2109.8175.226.9-31.5000109.2G61P59-G61 PolarHBondContact O-N 2.92Å
60R52Low54.4Low246 Ų246117.1 Ų117.193%0.92876%0.757SS**  trans-58.3122166.1-73.5-178.5-177.8-179.80.7109P58P58-R60 PolarHBondContact O-N 3.01Å
61G40.8Very low53.2Low75 Ų75118.3 Ų118.377%0.77377%0.767SS**SBendtrans64.796.2141.600000117.6P59P59-G61 PolarHBondContact O-N 2.92Å
62G42.7Very low51.6Low81 Ų81125.9 Ų125.984%0.83579%0.786SS**  trans22.9116.5140.800000120.9
63E46.2Very low50.9Low191 Ų191131 Ų13189%0.89380%0.802SS**  -173.495126.5-160.2172.411000107.2
64A44.6Very low49.8Very low94 Ų94130.5 Ų130.578%0.77781%0.806SS**  57.3114.7106.500000115.4
65A52.2Low49Very low99 Ų99129.9 Ų129.982%0.81882%0.819SS**  trans142.999.6131.900000114.4
66A46.9Very low48.4Very low104 Ų104125 Ų12586%0.8681%0.814SS**  55.3123.3127.200000122.1
67L49.4Very low47.5Very low170 Ų170125 Ų12589%0.8981%0.813SS**  trans-67.7169.3166.6-61.8158.2000112.7
68P59Low46.9Very low122 Ų122126.7 Ų126.779%0.79282%0.821SS**  -147.2176.382.531.7-8.4000116.3
69P50.2Low46.3Very low129 Ų129129.2 Ų129.284%0.83882%0.823SS**  trans-101.9156.1-162.137.9-31.5000117
70G47.7Very low45.7Very low76 Ų76129.6 Ų129.678%0.78482%0.817SS**  trans93.1158.515900000117
71P48.8Very low45.4Very low124 Ų124123 Ų12381%0.80580%0.797SS**  cis-135.2175.225.539.1-19.7000116.8
72R40.9Very low45.7Very low243 Ų243122.7 Ų122.792%0.91779%0.787SS**  trans-67.4130.4171.7-62.4168.3160.7-172.8-6.5111.7
73Q48.4Very low46Very low188 Ų188123.2 Ų123.288%0.87978%0.783SS**  trans-155.7125.7155.1-94.3169.150.100105.7
74G36.5Very low46.1Very low76 Ų76118.9 Ų118.978%0.78478%0.78SS**  99.3118.150.200000106.7
75G33.6Very low46.5Very low85 Ų85119.4 Ų119.488%0.87676%0.762SS**  trans-67.8168.3-161.300000116.5
76G34.5Very low46.6Very low68 Ų68118.8 Ų118.870%0.70176%0.757SS**  trans94.2100.5159.600000114.9
77T42.3Very low47.3Very low95 Ų95121.9 Ų121.958%0.58375%0.753SS**  161.1106.7127.646.40000109E79T77-E79 PolarHBondContact O-N 3.3Å
78T49.1Very low48.9Very low152 Ų152116.6 Ų116.693%0.93372%0.724SS**THydrogen-bonded Turntrans-71.97.7-172.7-13.60000114.1
79E50Low50.2Low165 Ų165114.1 Ų114.177%0.77170%0.7SS**THydrogen-bonded Turntrans-130.7-37.9-165.7-141.5167143.200112.8T77 Q81 A82T77-E79 PolarHBondContact O-N 3.3Å; E79-Q81 PolarHBondContact O-N 2.94Å; E79-A82 VanDerWaalsContact O-CB 3.27Å; E79-A82 WeakPolarHBondContact O-CB 3.34Å; E79-A82 PolarHBondContact O-N 3.34Å
80L44.5Very low52.1Low139 Ų139112.5 Ų112.573%0.72868%0.677SS**THydrogen-bonded Turntrans-67.9-23.5177.8-74.3170.2000113.4A82L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.14Å
81Q45.3Very low54Low108 Ų108110 Ų11051%0.50565%0.651SS.*THydrogen-bonded Turntrans-74.8-15.4173.1-106.6-1769300113E79 A83 R85E79-Q81 PolarHBondContact O-N 2.94Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.04Å; Q81-R85 WeakPolarHBondContact O-CB 3.19Å; Q81-R85 WeakPolarHBondContact O-CD 3.37Å; Q81-R85 WeakPolarHBondContact O-CG 3.4Å
82A47.7Very low56.1Low68 Ų68104.6 Ų104.656%0.56262%0.616SS**THydrogen-bonded Turntrans-67.3-30.8-176.400000113.7E79 L80E79-A82 VanDerWaalsContact O-CB 3.27Å; E79-A82 WeakPolarHBondContact O-CB 3.34Å; E79-A82 PolarHBondContact O-N 3.34Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 3.14Å
83A47.6Very low58.5Low92 Ų9298.1 Ų98.176%0.7659%0.591SS**THydrogen-bonded Turntrans-84.4-32.3-175.200000114.1Q81 R85Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.04Å; A83-R85 PolarHBondContact O-N 3.1Å
84A49.4Very low60.6Low100 Ų10097.8 Ų97.883%0.82658%0.582SS**THydrogen-bonded Turntrans-78.5-1.2173.300000113.1
85R52.6Low63.1Low104 Ų104101.7 Ų101.739%0.39257%0.573SS.*THydrogen-bonded Turntrans-116.424.2-169.9-76.9-177.8-177.2-169.2-1.4113.5Q81 A83 H87 Q88Q81-R85 WeakPolarHBondContact O-CB 3.19Å; Q81-R85 WeakPolarHBondContact O-CD 3.37Å; Q81-R85 WeakPolarHBondContact O-CG 3.4Å; A83-R85 PolarHBondContact O-N 3.1Å; R85-H87 PolarHBondContact O-N 2.9Å; R85-Q88 HydrophobicContact CB-CB 3.97Å; R85-Q88 HydrophobicContact CG-CB 4Å; R85-Q88 PolarHBondContact O-N 3.03Å
86A54.5Low65.8Low87 Ų87104.1 Ų104.172%0.71957%0.574SS**THydrogen-bonded Turntrans-53.6-21-178.800000113.9
87H62.1Low68.3Low168 Ų168110.2 Ų110.278%0.77858%0.575SS**THydrogen-bonded Turntrans-114.211.6175.1-60.2-71.1000115.1R85R85-H87 PolarHBondContact O-N 2.9Å
88Q81.3Confident70.5Confident60 Ų60107.5 Ų107.528%0.2857%0.566SS.*  trans-111.7100.5-178.7-162.167.731.800111R85 V92 R93R85-Q88 HydrophobicContact CB-CB 3.97Å; R85-Q88 HydrophobicContact CG-CB 4Å; R85-Q88 PolarHBondContact O-N 3.03Å; Q88-V92 PolarHBondContact NE2-O 3.02Å; Q88-R93 VanDerWaalsContact NE2-CA 3.34Å
89Y87.7Confident72.6Confident70 Ų70106.2 Ų106.228%0.27554%0.544SS..  trans-58.9147172.5-61.1-78.7000112G91 V92 P121 E122 A125 N143 F144Y89-G91 PolarHBondContact O-N 3.07Å; Y89-V92 PolarHBondContact O-N 2.73Å; Y89-P121 HydrophobicContact CD2-CB 3.78Å; Y89-P121 HydrophobicContact CE2-CB 3.77Å; Y89-P121 HydrophobicContact CE2-CG 4.28Å; Y89-E122 HydrophobicContact CE2-CG 4.36Å; Y89-A125 VanDerWaalsContact CB-CB 3.47Å; Y89-A125 HydrophobicContact CD1-CB 3.81Å; Y89-A125 HydrophobicContact CD2-CB 4.01Å; Y89-A125 HydrophobicContact CG-CB 3.49Å; Y89-A125 VanDerWaalsContact CG-CB 3.49Å; Y89-N143 HydrophobicContact CD1-CB 4.15Å; Y89-F144 HydrophobicContact CD1-CZ 4.31Å; Y89-F144 HydrophobicContact CE1-CE1 4.03Å; Y89-F144 AromaticContact CE1-CZ 3.9Å; Y89-F144 HydrophobicContact CE1-CZ 3.9Å
90R88.4Confident74.6Confident94 Ų94100.2 Ų100.236%0.35552%0.515SS..THydrogen-bonded Turntrans-59.7133.3176.5-174.6-176169.2-117.8-11.9109.5V92 Y128 K141 N143R90-V92 PolarHBondContact O-N 3.41Å; R90-Y128 HydrophobicContact CB-CE1 4.07Å; R90-Y128 HydrophobicContact CG-CD1 4.49Å; R90-Y128 HydrophobicContact CG-CE1 3.58Å; R90-Y128 PolarHBondContact NE-OH 2.97Å; R90-Y128 PolarHBondContact NH2-OH 2.86Å; R90-Y128 WeakPolarHBondContact O-CD1 3.47Å; R90-K141 PolarHBondContact NH1-O 3.41Å; R90-N143 WeakPolarHBondContact CA-OD1 3.21Å; R90-N143 WeakPolarHBondContact CB-OD1 3.35Å; R90-N143 PolarHBondContact N-OD1 3.38Å; R90-N143 PolarHBondContact O-ND2 3.25Å; R90-N143 VanDerWaalsContact O-ND2 3.1Å
91G89.7Confident76.9Confident23 Ų2393.8 Ų93.824%0.23748%0.482CS..THydrogen-bonded Turntrans79.5-6.5178.800000115Y89 A102 E103 Y128Y89-G91 PolarHBondContact O-N 3.07Å; G91-A102 WeakPolarHBondContact O-CA 3.29Å; G91-E103 PolarHBondContact O-N 2.97Å; G91-Y128 VanDerWaalsContact CA-CE2 3.44Å
92V91.8Very high79.2Confident11 Ų1188.6 Ų88.67%0.06746%0.457CS..EExtended strand (participates in β ladder)trans-97.4141.8178.1-174.60000109.3Q88 Y89 R90 W100 A101 A124 A125Q88-V92 PolarHBondContact NE2-O 3.02Å; Y89-V92 PolarHBondContact O-N 2.73Å; R90-V92 PolarHBondContact O-N 3.41Å; V92-W100 HydrophobicContact CG1-CB 4.02Å; V92-W100 HydrophobicContact CG1-CD2 4.36Å; V92-W100 HydrophobicContact CG1-CE3 3.6Å; V92-W100 HydrophobicContact CG1-CZ3 4.4Å; V92-A101 CarbonylContact C-O 3.46Å; V92-A101 WeakPolarHBondContact CA-O 3.26Å; V92-A124 HydrophobicContact CB-CB 4.35Å; V92-A124 HydrophobicContact CG1-CB 3.74Å; V92-A124 HydrophobicContact CG2-CB 3.67Å; V92-A125 HydrophobicContact CG2-CB 3.99Å
93R91.9Very high81.4Confident108 Ų10888 Ų8841%0.40844%0.443SS..EExtended strand (participates in β ladder)trans-134.814117060.4-178.9170.678.30.7111.2Q88 A101 E103Q88-R93 VanDerWaalsContact NE2-CA 3.34Å; R93-A101 HydrophobicContact CG-CB 3.88Å; R93-A101 PolarHBondContact N-O 3.3Å; R93-A101 PolarHBondContact O-N 2.88Å; R93-E103 IonicContact CZ-OE2 3.45Å; R93-E103 IonicContact NE-OE2 3.54Å; R93-E103 PolarHBondContact NE-OE2 2.99Å; R93-E103 IonicContact NH2-OE2 3.46Å; R93-E103 PolarHBondContact NH2-OE2 3.41Å
94R91.1Very high83.4Confident181 Ų18184 Ų8468%0.68341%0.409SS*.EExtended strand (participates in β ladder)trans-92.3121.6176.2-168.5173.569.8179.81.7110.5W100R94-W100 HydrophobicContact CB-CE3 4.08Å; R94-W100 HydrophobicContact CB-CZ3 4.05Å; R94-W100 HydrophobicContact CG-CE3 4.48Å; R94-W100 HydrophobicContact CG-CZ3 4.48Å
95R90.4Very high85.4Confident157 Ų15787.3 Ų87.359%0.59240%0.4SS*.  trans-80.7150.8170.6-167.584.4-163.9-111.911.4108.5W97 G98 R99R95-W97 HydrophobicContact CB-CB 4.24Å; R95-W97 HydrophobicContact CG-CB 3.84Å; R95-W97 PolarHBondContact O-N 3.2Å; R95-G98 PolarHBondContact O-N 2.67Å; R95-R99 PolarHBondContact N-O 3.26Å; R95-R99 VanDerWaalsContact N-O 3.1Å
96P89.2Confident86.8Confident137 Ų13783.6 Ų83.689%0.8939%0.388SS*.THydrogen-bonded Turntrans-57.7-16.2169.623.1-35.8000113.6G98P96-G98 PolarHBondContact O-N 2.76Å
97W86.8Confident88Confident195 Ų19584.6 Ų84.674%0.73939%0.387SS*.THydrogen-bonded Turntrans-68.9-8.4170.3-171.5-112.2000114.2R95 R99R95-W97 HydrophobicContact CB-CB 4.24Å; R95-W97 HydrophobicContact CG-CB 3.84Å; R95-W97 PolarHBondContact O-N 3.2Å; W97-R99 VanDerWaalsContact C-N 3.3Å; W97-R99 VanDerWaalsContact CD1-CG 3.46Å; W97-R99 PolarHBondContact O-N 2.96Å
98G89.2Confident88.9Confident38 Ų3885.3 Ų85.339%0.39239%0.391SS..SBendtrans80.35.5-179.800000114.9R95 P96R95-G98 PolarHBondContact O-N 2.67Å; P96-G98 PolarHBondContact O-N 2.76Å
99R92.3Very high88.7Confident125 Ų12589.9 Ų89.947%0.47241%0.41SS..PPolyproline II helixtrans-92150.2170.5-64.1-69.31021370.7111.2R95 W97R95-R99 PolarHBondContact N-O 3.26Å; R95-R99 VanDerWaalsContact N-O 3.1Å; W97-R99 VanDerWaalsContact C-N 3.3Å; W97-R99 VanDerWaalsContact CD1-CG 3.46Å; W97-R99 PolarHBondContact O-N 2.96Å
100W92.6Very high88.4Confident39 Ų3990.9 Ų90.915%0.14843%0.432CS..EExtended strand (participates in β ladder)trans-100.4119.7177.5-58.387.5000108.7V92 R94 T117 F118 A119 P121 A124V92-W100 HydrophobicContact CG1-CB 4.02Å; V92-W100 HydrophobicContact CG1-CD2 4.36Å; V92-W100 HydrophobicContact CG1-CE3 3.6Å; V92-W100 HydrophobicContact CG1-CZ3 4.4Å; R94-W100 HydrophobicContact CB-CE3 4.08Å; R94-W100 HydrophobicContact CB-CZ3 4.05Å; R94-W100 HydrophobicContact CG-CE3 4.48Å; R94-W100 HydrophobicContact CG-CZ3 4.48Å; W100-T117 CarbonylContact O-C 3.54Å; W100-T117 VanDerWaalsContact O-CA 3.28Å; W100-T117 WeakPolarHBondContact O-CA 3.5Å; W100-F118 PolarHBondContact N-O 3.43Å; W100-F118 PolarHBondContact O-N 3.49Å; W100-A119 PolarHBondContact NE1-O 2.93Å; W100-P121 HydrophobicContact CD2-CB 3.6Å; W100-P121 HydrophobicContact CD2-CG 4.23Å; W100-P121 HydrophobicContact CE3-CB 3.64Å; W100-P121 HydrophobicContact CG-CB 4.27Å; W100-P121 HydrophobicContact CH2-CB 3.67Å; W100-P121 HydrophobicContact CH2-CG 3.91Å; W100-P121 HydrophobicContact CZ2-CB 3.69Å; W100-P121 HydrophobicContact CZ2-CG 3.57Å; W100-P121 HydrophobicContact CZ3-CB 3.66Å; W100-P121 HydrophobicContact CZ3-CG 4.42Å; W100-A124 HydrophobicContact CB-CB 4Å
101A92.8Very high88.3Confident4 Ų488.5 Ų88.53%0.03343%0.432CS..EExtended strand (participates in β ladder)trans-99.4137.7175.700000109.7V92 R93 T117V92-A101 CarbonylContact C-O 3.46Å; V92-A101 WeakPolarHBondContact CA-O 3.26Å; R93-A101 HydrophobicContact CG-CB 3.88Å; R93-A101 PolarHBondContact N-O 3.3Å; R93-A101 PolarHBondContact O-N 2.88Å; A101-T117 HydrophobicContact CB-CG2 4.02Å
102A94.2Very high88.4Confident0 Ų096.3 Ų96.30%046%0.455CS..EExtended strand (participates in β ladder)trans-114136.4171.300000110.8G91 L115 G116 F118 A124G91-A102 WeakPolarHBondContact O-CA 3.29Å; A102-L115 HydrophobicContact CB-CB 4.19Å; A102-L115 HydrophobicContact CB-CD1 4.17Å; A102-L115 WeakPolarHBondContact O-CB 3.48Å; A102-L115 PolarHBondContact O-N 3.29Å; A102-G116 PolarHBondContact N-O 2.94Å; A102-G116 PolarHBondContact O-N 3.05Å; A102-F118 HydrophobicContact CB-CD2 4.21Å; A102-F118 HydrophobicContact CB-CE2 3.83Å; A102-A124 HydrophobicContact CB-CB 4.22Å; A102-A124 WeakPolarHBondContact CB-O 3.5Å
103E92.8Very high88.3Confident56 Ų5698.7 Ų98.726%0.26247%0.469SS..EExtended strand (participates in β ladder)trans-148.9148.5176.661.3-170.3-12800110.3G91 R93 V113 Y128G91-E103 PolarHBondContact O-N 2.97Å; R93-E103 IonicContact CZ-OE2 3.45Å; R93-E103 IonicContact NE-OE2 3.54Å; R93-E103 PolarHBondContact NE-OE2 2.99Å; R93-E103 IonicContact NH2-OE2 3.46Å; R93-E103 PolarHBondContact NH2-OE2 3.41Å; E103-V113 CarbonylContact C-O 3.57Å; E103-V113 VanDerWaalsContact CA-O 3.29Å; E103-V113 WeakPolarHBondContact CA-O 3.36Å; E103-V113 WeakPolarHBondContact CB-O 3.42Å; E103-Y128 WeakPolarHBondContact O-CD2 3.28Å; E103-Y128 WeakPolarHBondContact O-CE2 3.32Å
104I90.8Very high88.3Confident8 Ų8101.6 Ų101.64%0.04148%0.48CS..EExtended strand (participates in β ladder)trans-112.5144.4177.7-171.6155.4000111.4R112 V113 L115 Y128 A131 A132 F135I104-R112 WeakPolarHBondContact O-CA 3.43Å; I104-V113 HydrophobicContact CG2-CB 3.75Å; I104-V113 HydrophobicContact CG2-CG1 4.48Å; I104-V113 PolarHBondContact N-O 3.45Å; I104-V113 PolarHBondContact O-N 3.47Å; I104-L115 HydrophobicContact CB-CD1 4.32Å; I104-L115 HydrophobicContact CG2-CD1 4.49Å; I104-L115 HydrophobicContact CG2-CD2 4.13Å; I104-L115 HydrophobicContact CG2-CG 4.4Å; I104-Y128 HydrophobicContact CB-CD2 4.47Å; I104-Y128 HydrophobicContact CB-CE2 4.09Å; I104-Y128 HydrophobicContact CG1-CE2 4.22Å; I104-A131 HydrophobicContact CD1-CB 4.11Å; I104-A131 HydrophobicContact CG2-CB 4.49Å; I104-A132 HydrophobicContact CD1-CB 4.23Å; I104-F135 HydrophobicContact CD1-CB 3.81Å; I104-F135 HydrophobicContact CD1-CD2 3.54Å; I104-F135 HydrophobicContact CD1-CE2 4.29Å; I104-F135 HydrophobicContact CD1-CG 3.78Å; I104-F135 HydrophobicContact CG1-CD2 4.3Å; I104-F135 HydrophobicContact CG1-CG 4.44Å; I104-F135 HydrophobicContact CG2-CD2 4Å; I104-F135 HydrophobicContact CG2-CE2 3.6Å; I104-F135 HydrophobicContact CG2-CZ 3.91Å
105R90.8Very high88.4Confident168 Ų16895.5 Ų95.563%0.63446%0.461SS*.EExtended strand (participates in β ladder)trans-123.9125.2-179.3179.5179.1-175.7-88.5-2.5109.5
106D82.1Confident88.6Confident26 Ų2688.7 Ų88.714%0.13944%0.439CS..  trans-94.7132.4169.3-68.8-30.7000110.3E108 K109 F135D106-E108 VanDerWaalsContact C-N 3.34Å; D106-K109 HydrophobicContact CB-CB 4.05Å; D106-F135 WeakPolarHBondContact OD1-CD1 3.29Å; D106-F135 VanDerWaalsContact OD2-CD1 3.23Å; D106-F135 WeakPolarHBondContact OD2-CD1 3.49Å; D106-F135 VanDerWaalsContact OD2-CE1 3.32Å; D106-F135 WeakPolarHBondContact OD2-CE1 3.44Å
107P79.9Confident88.8Confident108 Ų10886.1 Ų86.170%0.70142%0.421SS*.THydrogen-bonded Turntrans-69.6-33.817527.6-32.1000112
108E81.4Confident89.2Confident183 Ų18378.6 Ų78.686%0.85539%0.394SS*.THydrogen-bonded Turntrans-81.7-43.6-175.2-62.9-172.9146.700112.7D106 A110D106-E108 VanDerWaalsContact C-N 3.34Å; E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.72Å
109K77.3Confident89.3Confident157 Ų15779.5 Ų79.568%0.68340%0.398SS*.THydrogen-bonded Turntrans-85.3-4.4-172.5-62.6-175.5178-179.90113.9D106 A111D106-K109 HydrophobicContact CB-CB 4.05Å; K109-A111 HydrophobicContact CB-CB 4.39Å; K109-A111 PolarHBondContact O-N 3.09Å
110A81.6Confident89.4Confident90 Ų9076 Ų7674%0.74439%0.391SS*.  trans48.312.5-173.600000115.3E108E108-A110 VanDerWaalsContact C-N 3.32Å; E108-A110 PolarHBondContact O-N 2.72Å
111A85.7Confident89.4Confident44 Ų4475.1 Ų75.136%0.36439%0.39SS..  trans-94.4148.4-176.500000110.2K109K109-A111 HydrophobicContact CB-CB 4.39Å; K109-A111 PolarHBondContact O-N 3.09Å
112R91.1Very high89.4Confident188 Ų18878.4 Ų78.471%0.70940%0.404SS*.EExtended strand (participates in β ladder)trans-114.3126.5171.3-58.5-177.3-171.7-167.83.3107.4I104I104-R112 WeakPolarHBondContact O-CA 3.43Å
113V90.4Very high89.4Confident60 Ų6082.1 Ų82.136%0.36442%0.422SS..EExtended strand (participates in β ladder)trans-108.6120176.1-1790000107.7E103 I104 F135E103-V113 CarbonylContact C-O 3.57Å; E103-V113 VanDerWaalsContact CA-O 3.29Å; E103-V113 WeakPolarHBondContact CA-O 3.36Å; E103-V113 WeakPolarHBondContact CB-O 3.42Å; I104-V113 HydrophobicContact CG2-CB 3.75Å; I104-V113 HydrophobicContact CG2-CG1 4.48Å; I104-V113 PolarHBondContact N-O 3.45Å; I104-V113 PolarHBondContact O-N 3.47Å; V113-F135 HydrophobicContact CB-CZ 4.34Å; V113-F135 HydrophobicContact CG2-CE1 4.46Å; V113-F135 HydrophobicContact CG2-CZ 3.99Å
114W91.7Very high89.4Confident170 Ų17079.4 Ų79.464%0.64441%0.409SS*.EExtended strand (participates in β ladder)trans-78.8120.8174.3176.942.7000108.7G116 T117W114-G116 VanDerWaalsContact NE1-C 3.3Å; W114-G116 PolarHBondContact NE1-O 3.43Å; W114-G116 VanDerWaalsContact NE1-O 3.07Å; W114-T117 HydrophobicContact CZ2-CG2 4.1Å
115L92.9Very high89.5Confident52 Ų5279 Ų7927%0.27241%0.407SS..EExtended strand (participates in β ladder)trans-89.5-30.9-176.6-60.2168.9000111.5A102 I104 Y128 A131A102-L115 HydrophobicContact CB-CB 4.19Å; A102-L115 HydrophobicContact CB-CD1 4.17Å; A102-L115 WeakPolarHBondContact O-CB 3.48Å; A102-L115 PolarHBondContact O-N 3.29Å; I104-L115 HydrophobicContact CB-CD1 4.32Å; I104-L115 HydrophobicContact CG2-CD1 4.49Å; I104-L115 HydrophobicContact CG2-CD2 4.13Å; I104-L115 HydrophobicContact CG2-CG 4.4Å; L115-Y128 HydrophobicContact CD1-CD2 3.99Å; L115-A131 HydrophobicContact CD1-CB 3.77Å; L115-A131 HydrophobicContact CD2-CB 3.46Å; L115-A131 VanDerWaalsContact CD2-CB 3.46Å; L115-A131 HydrophobicContact CG-CB 4.27Å
116G94.2Very high89.7Confident14 Ų1477 Ų7714%0.14440%0.4CS..EExtended strand (participates in β ladder)trans150.8-173.2178.300000113.1A102 W114A102-G116 PolarHBondContact N-O 2.94Å; A102-G116 PolarHBondContact O-N 3.05Å; W114-G116 VanDerWaalsContact NE1-C 3.3Å; W114-G116 PolarHBondContact NE1-O 3.43Å; W114-G116 VanDerWaalsContact NE1-O 3.07Å
117T94.7Very high90.2Very high83 Ų8377 Ų7751%0.50940%0.403SS..EExtended strand (participates in β ladder)trans-126.9129.6170.552.20000108.8W100 A101 W114W100-T117 CarbonylContact O-C 3.54Å; W100-T117 VanDerWaalsContact O-CA 3.28Å; W100-T117 WeakPolarHBondContact O-CA 3.5Å; A101-T117 HydrophobicContact CB-CG2 4.02Å; W114-T117 HydrophobicContact CZ2-CG2 4.1Å
118F94.1Very high90.9Very high37 Ų3772.5 Ų72.516%0.16237%0.372CS..EExtended strand (participates in β ladder)trans-119.6156.8-172.7-54.9-84.8000110.3W100 A102 E123 A124 A127W100-F118 PolarHBondContact N-O 3.43Å; W100-F118 PolarHBondContact O-N 3.49Å; A102-F118 HydrophobicContact CB-CD2 4.21Å; A102-F118 HydrophobicContact CB-CE2 3.83Å; F118-E123 HydrophobicContact CB-CB 4.27Å; F118-E123 HydrophobicContact CB-CG 4.24Å; F118-E123 HydrophobicContact CD1-CB 4.41Å; F118-E123 HydrophobicContact CD1-CG 3.56Å; F118-E123 HydrophobicContact CE1-CG 4.24Å; F118-E123 HydrophobicContact CG-CG 4.13Å; F118-A124 HydrophobicContact CB-CB 4Å; F118-A124 HydrophobicContact CD2-CB 3.58Å; F118-A124 HydrophobicContact CE2-CB 4.46Å; F118-A124 HydrophobicContact CG-CB 4.07Å; F118-A127 HydrophobicContact CE1-CB 4.01Å; F118-A127 HydrophobicContact CE2-CB 3.69Å; F118-A127 HydrophobicContact CZ-CB 3.3Å
119A92.5Very high91.5Very high57 Ų5764 Ų6447%0.47133%0.332SS..SBendtrans-77.3-3117800000111.7W100W100-A119 PolarHBondContact NE1-O 2.93Å
120T93.5Very high92.2Very high53 Ų5360 Ų6033%0.32532%0.319SS..SBendtrans-114147.8-177.866.60000111.8E122 E123 A124T120-E122 VanDerWaalsContact C-N 3.28Å; T120-E122 WeakPolarHBondContact CB-OE2 3.4Å; T120-E123 WeakPolarHBondContact OG1-CB 3.47Å; T120-E123 PolarHBondContact OG1-N 2.94Å; T120-A124 PolarHBondContact O-N 3.29Å
121P92.1Very high92.7Very high20 Ų2056 Ų5613%0.1329%0.286CS..Hα-helixtrans-66.9-32.1174.723.8-27.7000112.3Y89 W100 A124 A125Y89-P121 HydrophobicContact CD2-CB 3.78Å; Y89-P121 HydrophobicContact CE2-CB 3.77Å; Y89-P121 HydrophobicContact CE2-CG 4.28Å; W100-P121 HydrophobicContact CD2-CB 3.6Å; W100-P121 HydrophobicContact CD2-CG 4.23Å; W100-P121 HydrophobicContact CE3-CB 3.64Å; W100-P121 HydrophobicContact CG-CB 4.27Å; W100-P121 HydrophobicContact CH2-CB 3.67Å; W100-P121 HydrophobicContact CH2-CG 3.91Å; W100-P121 HydrophobicContact CZ2-CB 3.69Å; W100-P121 HydrophobicContact CZ2-CG 3.57Å; W100-P121 HydrophobicContact CZ3-CB 3.66Å; W100-P121 HydrophobicContact CZ3-CG 4.42Å; P121-A124 PolarHBondContact O-N 3.31Å; P121-A125 VanDerWaalsContact O-CB 3.29Å; P121-A125 WeakPolarHBondContact O-CB 3Å; P121-A125 PolarHBondContact O-N 3.46Å
122E93.3Very high93Very high73 Ų7354.1 Ų54.134%0.34127%0.27SS..Hα-helixtrans-68.6-43.1-179-61.673.2-160.100111.4Y89 T120 A125 R126 F144Y89-E122 HydrophobicContact CE2-CG 4.36Å; T120-E122 VanDerWaalsContact C-N 3.28Å; T120-E122 WeakPolarHBondContact CB-OE2 3.4Å; E122-A125 PolarHBondContact O-N 2.81Å; E122-R126 WeakPolarHBondContact O-CG 3.28Å; E122-R126 PolarHBondContact O-N 3.48Å; E122-F144 HydrophobicContact CB-CZ 4.24Å
123E93.7Very high93Very high77 Ų7749.7 Ų49.736%0.3625%0.253SS..Hα-helixtrans-64.7-44175.5-173.9-173-173.200111.5F118 T120 A125 R126 A127F118-E123 HydrophobicContact CB-CB 4.27Å; F118-E123 HydrophobicContact CB-CG 4.24Å; F118-E123 HydrophobicContact CD1-CB 4.41Å; F118-E123 HydrophobicContact CD1-CG 3.56Å; F118-E123 HydrophobicContact CE1-CG 4.24Å; F118-E123 HydrophobicContact CG-CG 4.13Å; T120-E123 WeakPolarHBondContact OG1-CB 3.47Å; T120-E123 PolarHBondContact OG1-N 2.94Å; E123-A125 VanDerWaalsContact C-N 3.25Å; E123-A125 PolarHBondContact O-N 2.86Å; E123-R126 PolarHBondContact O-N 2.93Å; E123-R126 VanDerWaalsContact O-N 3.17Å; E123-A127 PolarHBondContact O-N 3.19Å
124A94.1Very high92.9Very high0 Ų057.1 Ų57.10%028%0.275CS..Hα-helixtrans-57.8-40.6173.700000112.2V92 W100 A102 F118 T120 P121 Y128V92-A124 HydrophobicContact CB-CB 4.35Å; V92-A124 HydrophobicContact CG1-CB 3.74Å; V92-A124 HydrophobicContact CG2-CB 3.67Å; W100-A124 HydrophobicContact CB-CB 4Å; A102-A124 HydrophobicContact CB-CB 4.22Å; A102-A124 WeakPolarHBondContact CB-O 3.5Å; F118-A124 HydrophobicContact CB-CB 4Å; F118-A124 HydrophobicContact CD2-CB 3.58Å; F118-A124 HydrophobicContact CE2-CB 4.46Å; F118-A124 HydrophobicContact CG-CB 4.07Å; T120-A124 PolarHBondContact O-N 3.29Å; P121-A124 PolarHBondContact O-N 3.31Å; A124-Y128 WeakPolarHBondContact O-CB 3.42Å; A124-Y128 PolarHBondContact O-N 3Å
125A93.2Very high92.7Very high0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-69.5-36.4178.200000112.4Y89 V92 P121 E122 E123 Y128 D129 N143 F144Y89-A125 VanDerWaalsContact CB-CB 3.47Å; Y89-A125 HydrophobicContact CD1-CB 3.81Å; Y89-A125 HydrophobicContact CD2-CB 4.01Å; Y89-A125 HydrophobicContact CG-CB 3.49Å; Y89-A125 VanDerWaalsContact CG-CB 3.49Å; V92-A125 HydrophobicContact CG2-CB 3.99Å; P121-A125 VanDerWaalsContact O-CB 3.29Å; P121-A125 WeakPolarHBondContact O-CB 3Å; P121-A125 PolarHBondContact O-N 3.46Å; E122-A125 PolarHBondContact O-N 2.81Å; E123-A125 VanDerWaalsContact C-N 3.25Å; E123-A125 PolarHBondContact O-N 2.86Å; A125-Y128 WeakPolarHBondContact O-CB 3.13Å; A125-Y128 PolarHBondContact O-N 3.34Å; A125-D129 VanDerWaalsContact O-CG 3.27Å; A125-D129 PolarHBondContact O-N 3.44Å; A125-N143 HydrophobicContact CB-CB 4.32Å; A125-F144 HydrophobicContact CB-CD2 4.49Å; A125-F144 HydrophobicContact CB-CE2 3.44Å; A125-F144 VanDerWaalsContact CB-CE2 3.44Å; A125-F144 HydrophobicContact CB-CZ 3.84Å
126R93.8Very high92.3Very high126 Ų12657.1 Ų57.148%0.47528%0.277SS..Hα-helixtrans-66.2-46174.7-75.1-170.7-63.7-89.43.4111.4E122 E123 Y128 D129 D130 F144E122-R126 WeakPolarHBondContact O-CG 3.28Å; E122-R126 PolarHBondContact O-N 3.48Å; E123-R126 PolarHBondContact O-N 2.93Å; E123-R126 VanDerWaalsContact O-N 3.17Å; R126-Y128 PolarHBondContact O-N 3.49Å; R126-D129 WeakPolarHBondContact O-CB 3.2Å; R126-D129 PolarHBondContact O-N 3.38Å; R126-D130 PolarHBondContact O-N 3.13Å; R126-F144 HydrophobicContact CB-CE2 4.39Å; R126-F144 HydrophobicContact CG-CD2 3.72Å; R126-F144 HydrophobicContact CG-CE2 3.54Å; R126-F144 HydrophobicContact CG-CZ 4.4Å
127A93.8Very high91.9Very high25 Ų2557.9 Ų57.921%0.20729%0.285CS..Hα-helixtrans-58.7-38.3174.700000111.7F118 E123 A131F118-A127 HydrophobicContact CE1-CB 4.01Å; F118-A127 HydrophobicContact CE2-CB 3.69Å; F118-A127 HydrophobicContact CZ-CB 3.3Å; E123-A127 PolarHBondContact O-N 3.19Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.49Å; A127-A131 VanDerWaalsContact O-N 3.14Å
128Y94.2Very high91.3Very high13 Ų1359.1 Ų59.15%0.05130%0.304CS..Hα-helixtrans-64.8-40.3172.6-175.9-97.1000113.1R90 G91 E103 I104 L115 A124 A125 R126 A131 A132R90-Y128 HydrophobicContact CB-CE1 4.07Å; R90-Y128 HydrophobicContact CG-CD1 4.49Å; R90-Y128 HydrophobicContact CG-CE1 3.58Å; R90-Y128 PolarHBondContact NE-OH 2.97Å; R90-Y128 PolarHBondContact NH2-OH 2.86Å; R90-Y128 WeakPolarHBondContact O-CD1 3.47Å; G91-Y128 VanDerWaalsContact CA-CE2 3.44Å; E103-Y128 WeakPolarHBondContact O-CD2 3.28Å; E103-Y128 WeakPolarHBondContact O-CE2 3.32Å; I104-Y128 HydrophobicContact CB-CD2 4.47Å; I104-Y128 HydrophobicContact CB-CE2 4.09Å; I104-Y128 HydrophobicContact CG1-CE2 4.22Å; L115-Y128 HydrophobicContact CD1-CD2 3.99Å; A124-Y128 WeakPolarHBondContact O-CB 3.42Å; A124-Y128 PolarHBondContact O-N 3Å; A125-Y128 WeakPolarHBondContact O-CB 3.13Å; A125-Y128 PolarHBondContact O-N 3.34Å; R126-Y128 PolarHBondContact O-N 3.49Å; Y128-A131 PolarHBondContact O-N 3.39Å; Y128-A132 HydrophobicContact CE1-CB 4.4Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.43Å; Y128-A132 PolarHBondContact O-N 3.41Å
129D92.8Very high90.6Very high5 Ų566.1 Ų66.13%0.02733%0.334CS..Hα-helixtrans-67.4-41.3179.5-74.2-6.9000112.3A125 R126 A132 R133 L142 N143 F144A125-D129 VanDerWaalsContact O-CG 3.27Å; A125-D129 PolarHBondContact O-N 3.44Å; R126-D129 WeakPolarHBondContact O-CB 3.2Å; R126-D129 PolarHBondContact O-N 3.38Å; D129-A132 PolarHBondContact O-N 3.14Å; D129-R133 WeakPolarHBondContact O-CB 3.22Å; D129-R133 PolarHBondContact O-N 3.32Å; D129-L142 HydrophobicContact CB-CB 4.18Å; D129-L142 HydrophobicContact CB-CD1 4.42Å; D129-L142 HydrophobicContact CB-CD2 3.94Å; D129-L142 HydrophobicContact CB-CG 4.39Å; D129-L142 WeakPolarHBondContact O-CD2 3.37Å; D129-L142 WeakPolarHBondContact OD1-CA 3.42Å; D129-N143 VanDerWaalsContact CG-N 3.26Å; D129-N143 PolarHBondContact OD1-N 3.03Å; D129-N143 PolarHBondContact OD1-ND2 3.45Å; D129-N143 WeakPolarHBondContact OD2-CB 3.34Å; D129-N143 PolarHBondContact OD2-N 3.07Å; D129-F144 VanDerWaalsContact OD2-CD2 3.26Å; D129-F144 WeakPolarHBondContact OD2-CD2 3.37Å; D129-F144 PolarHBondContact OD2-N 3.43Å
130D93.1Very high90.3Very high73 Ų7364.2 Ų64.239%0.3932%0.318SS..Hα-helixtrans-63.8-42.6175.7-71.4-29.6000111.8R126 R133 R134R126-D130 PolarHBondContact O-N 3.13Å; D130-R133 IonicContact OD1-CZ 2.93Å; D130-R133 IonicContact OD1-NH1 3.38Å; D130-R133 PolarHBondContact OD1-NH1 3.09Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.92Å
131A92.9Very high89.8Confident7 Ų769.3 Ų69.36%0.05834%0.336CS..Hα-helixtrans-61.3-52.6170.400000110.5I104 L115 A127 Y128 R133 R134 F135I104-A131 HydrophobicContact CD1-CB 4.11Å; I104-A131 HydrophobicContact CG2-CB 4.49Å; L115-A131 HydrophobicContact CD1-CB 3.77Å; L115-A131 HydrophobicContact CD2-CB 3.46Å; L115-A131 VanDerWaalsContact CD2-CB 3.46Å; L115-A131 HydrophobicContact CG-CB 4.27Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 3.49Å; A127-A131 VanDerWaalsContact O-N 3.14Å; Y128-A131 PolarHBondContact O-N 3.39Å; A131-R133 PolarHBondContact O-N 2.81Å; A131-R133 VanDerWaalsContact O-N 3.13Å; A131-R134 CarbonylContact O-C 3.51Å; A131-R134 WeakPolarHBondContact O-CA 3.36Å; A131-R134 WeakPolarHBondContact O-CB 3.27Å; A131-R134 PolarHBondContact O-N 3.29Å; A131-F135 HydrophobicContact CB-CD2 4.2Å; A131-F135 HydrophobicContact CB-CE2 4.32Å; A131-F135 WeakPolarHBondContact O-CD2 3.38Å; A131-F135 PolarHBondContact O-N 2.99Å
132A91.3Very high89.8Confident3 Ų370.2 Ų70.23%0.02534%0.34CS..Hα-helixtrans-56-36.7-17800000112.5I104 Y128 D129 F135 K136 A140 L142I104-A132 HydrophobicContact CD1-CB 4.23Å; Y128-A132 HydrophobicContact CE1-CB 4.4Å; Y128-A132 VanDerWaalsContact O-CB 3.24Å; Y128-A132 WeakPolarHBondContact O-CB 3.43Å; Y128-A132 PolarHBondContact O-N 3.41Å; D129-A132 PolarHBondContact O-N 3.14Å; A132-F135 PolarHBondContact O-N 3.15Å; A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 PolarHBondContact O-N 2.96Å; A132-A140 HydrophobicContact CB-CB 4.21Å; A132-A140 VanDerWaalsContact O-CB 3.29Å; A132-A140 WeakPolarHBondContact O-CB 3.41Å; A132-L142 HydrophobicContact CB-CD2 3.92Å
133R90.6Very high89.5Confident95 Ų9568.8 Ų68.836%0.35833%0.334SS..Hα-helixtrans-64.1-40.8173.6-165.6-177.4-62.7115.80.9112.1D129 D130 A131 G137D129-R133 WeakPolarHBondContact O-CB 3.22Å; D129-R133 PolarHBondContact O-N 3.32Å; D130-R133 IonicContact OD1-CZ 2.93Å; D130-R133 IonicContact OD1-NH1 3.38Å; D130-R133 PolarHBondContact OD1-NH1 3.09Å; A131-R133 PolarHBondContact O-N 2.81Å; A131-R133 VanDerWaalsContact O-N 3.13Å; R133-G137 CarbonylContact O-C 3.57Å; R133-G137 WeakPolarHBondContact O-CA 3.38Å; R133-G137 PolarHBondContact O-N 3.1Å
134R88.9Confident89Confident216 Ų21668 Ų6882%0.81533%0.329SS*.Hα-helixtrans-69.6-37.4175.1-65.5170.5-175.91782.2112.6D130 A131D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 2.92Å; A131-R134 CarbonylContact O-C 3.51Å; A131-R134 WeakPolarHBondContact O-CA 3.36Å; A131-R134 WeakPolarHBondContact O-CB 3.27Å; A131-R134 PolarHBondContact O-N 3.29Å
135F86.3Confident88.2Confident84 Ų8473.6 Ų73.637%0.36837%0.366SS..Hα-helixtrans-82-42.5-175.9-81.4-87.6000113.8I104 D106 V113 A131 A132I104-F135 HydrophobicContact CD1-CB 3.81Å; I104-F135 HydrophobicContact CD1-CD2 3.54Å; I104-F135 HydrophobicContact CD1-CE2 4.29Å; I104-F135 HydrophobicContact CD1-CG 3.78Å; I104-F135 HydrophobicContact CG1-CD2 4.3Å; I104-F135 HydrophobicContact CG1-CG 4.44Å; I104-F135 HydrophobicContact CG2-CD2 4Å; I104-F135 HydrophobicContact CG2-CE2 3.6Å; I104-F135 HydrophobicContact CG2-CZ 3.91Å; D106-F135 WeakPolarHBondContact OD1-CD1 3.29Å; D106-F135 VanDerWaalsContact OD2-CD1 3.23Å; D106-F135 WeakPolarHBondContact OD2-CD1 3.49Å; D106-F135 VanDerWaalsContact OD2-CE1 3.32Å; D106-F135 WeakPolarHBondContact OD2-CE1 3.44Å; V113-F135 HydrophobicContact CB-CZ 4.34Å; V113-F135 HydrophobicContact CG2-CE1 4.46Å; V113-F135 HydrophobicContact CG2-CZ 3.99Å; A131-F135 HydrophobicContact CB-CD2 4.2Å; A131-F135 HydrophobicContact CB-CE2 4.32Å; A131-F135 WeakPolarHBondContact O-CD2 3.38Å; A131-F135 PolarHBondContact O-N 2.99Å; A132-F135 PolarHBondContact O-N 3.15Å
136K85.9Confident86.9Confident138 Ų13877.4 Ų77.460%0.639%0.39SS*.Hα-helixtrans-105-7.8-177.6-175.9160.6173.9174.80113.5A132 K139 A140A132-K136 WeakPolarHBondContact O-CB 3.4Å; A132-K136 PolarHBondContact O-N 2.96Å; K136-K139 WeakPolarHBondContact CE-O 3.35Å; K136-A140 HydrophobicContact CB-CB 4.02Å; K136-A140 HydrophobicContact CG-CB 4.44Å
137G86.1Confident85.1Confident30 Ų3078.4 Ų78.431%0.30941%0.41SS..G310 helixtrans76-158.7-176.200000112.9R133 K139 A140R133-G137 CarbonylContact O-C 3.57Å; R133-G137 WeakPolarHBondContact O-CA 3.38Å; R133-G137 PolarHBondContact O-N 3.1Å; G137-K139 PolarHBondContact O-N 3.36Å; G137-A140 VanDerWaalsContact O-CB 3.29Å; G137-A140 WeakPolarHBondContact O-CB 3.31Å; G137-A140 PolarHBondContact O-N 3.15Å; G137-A140 VanDerWaalsContact O-N 3.08Å
138A81Confident83Confident109 Ų10983.4 Ų83.490%0.90144%0.438SS*.G310 helixtrans-61.2-17.2-177.300000114.6A140A138-A140 VanDerWaalsContact C-N 3.31Å
139K80.6Confident80.7Confident184 Ų18486.5 Ų86.580%0.847%0.466SS*.G310 helixtrans-92.114.9178.2-61.9-177.9177.8178.80113K136 G137K136-K139 WeakPolarHBondContact CE-O 3.35Å; G137-K139 PolarHBondContact O-N 3.36Å
140A85Confident78.3Confident17 Ų1792.3 Ų92.314%0.1450%0.502CS..  trans-66.4135177.800000111.3A132 K136 G137 A138 L142A132-A140 HydrophobicContact CB-CB 4.21Å; A132-A140 VanDerWaalsContact O-CB 3.29Å; A132-A140 WeakPolarHBondContact O-CB 3.41Å; K136-A140 HydrophobicContact CB-CB 4.02Å; K136-A140 HydrophobicContact CG-CB 4.44Å; G137-A140 VanDerWaalsContact O-CB 3.29Å; G137-A140 WeakPolarHBondContact O-CB 3.31Å; G137-A140 PolarHBondContact O-N 3.15Å; G137-A140 VanDerWaalsContact O-N 3.08Å; A138-A140 VanDerWaalsContact C-N 3.31Å; A140-L142 HydrophobicContact CB-CD2 3.67Å; A140-L142 HydrophobicContact CB-CG 4.45Å; A140-L142 PolarHBondContact O-N 2.81Å
141K84.4Confident75.8Confident161 Ų16193.8 Ų93.870%0.752%0.524SS*.  trans-82.399171.1-172.7174-175.7174.90108.5R90R90-K141 PolarHBondContact NH1-O 3.41Å
142L90.1Very high73.4Confident39 Ų3999.3 Ų99.320%0.20456%0.557CS.*  trans-86157.3179.8-52.1-171.4000110.6D129 A132 A140D129-L142 HydrophobicContact CB-CB 4.18Å; D129-L142 HydrophobicContact CB-CD1 4.42Å; D129-L142 HydrophobicContact CB-CD2 3.94Å; D129-L142 HydrophobicContact CB-CG 4.39Å; D129-L142 WeakPolarHBondContact O-CD2 3.37Å; D129-L142 WeakPolarHBondContact OD1-CA 3.42Å; A132-L142 HydrophobicContact CB-CD2 3.92Å; A140-L142 HydrophobicContact CB-CD2 3.67Å; A140-L142 HydrophobicContact CB-CG 4.45Å; A140-L142 PolarHBondContact O-N 2.81Å
143N87.3Confident71.3Confident42 Ų42105.1 Ų105.123%0.22559%0.593CS.*SBendtrans-75.2-40.4171.3-66.8-69.8000111Y89 R90 A125 D129Y89-N143 HydrophobicContact CD1-CB 4.15Å; R90-N143 WeakPolarHBondContact CA-OD1 3.21Å; R90-N143 WeakPolarHBondContact CB-OD1 3.35Å; R90-N143 PolarHBondContact N-OD1 3.38Å; R90-N143 PolarHBondContact O-ND2 3.25Å; R90-N143 VanDerWaalsContact O-ND2 3.1Å; A125-N143 HydrophobicContact CB-CB 4.32Å; D129-N143 VanDerWaalsContact CG-N 3.26Å; D129-N143 PolarHBondContact OD1-N 3.03Å; D129-N143 PolarHBondContact OD1-ND2 3.45Å; D129-N143 WeakPolarHBondContact OD2-CB 3.34Å; D129-N143 PolarHBondContact OD2-N 3.07Å
144F84.3Confident69.2Low60 Ų60106.3 Ų106.326%0.26361%0.611SS.*SBendtrans-102.4112.1177.4-55.7-73.6000109.3Y89 E122 A125 R126 D129 T146Y89-F144 HydrophobicContact CD1-CZ 4.31Å; Y89-F144 HydrophobicContact CE1-CE1 4.03Å; Y89-F144 AromaticContact CE1-CZ 3.9Å; Y89-F144 HydrophobicContact CE1-CZ 3.9Å; E122-F144 HydrophobicContact CB-CZ 4.24Å; A125-F144 HydrophobicContact CB-CD2 4.49Å; A125-F144 HydrophobicContact CB-CE2 3.44Å; A125-F144 VanDerWaalsContact CB-CE2 3.44Å; A125-F144 HydrophobicContact CB-CZ 3.84Å; R126-F144 HydrophobicContact CB-CE2 4.39Å; R126-F144 HydrophobicContact CG-CD2 3.72Å; R126-F144 HydrophobicContact CG-CE2 3.54Å; R126-F144 HydrophobicContact CG-CZ 4.4Å; D129-F144 VanDerWaalsContact OD2-CD2 3.26Å; D129-F144 WeakPolarHBondContact OD2-CD2 3.37Å; D129-F144 PolarHBondContact OD2-N 3.43Å; F144-T146 PolarHBondContact O-N 3.36Å
145P77.8Confident67.3Low118 Ų118101.5 Ų101.577%0.76661%0.606SS**  trans-65.3105.7169.527.3-31.4000107.9T147P145-T147 PolarHBondContact O-N 3.03Å; P145-T147 VanDerWaalsContact O-N 3.13Å
146T65.1Low65.5Low81 Ų81103 Ų10350%0.49762%0.622SS.*  trans-67.6109.8172.147.70000107.9F144 T148F144-T146 PolarHBondContact O-N 3.36Å; T146-T148 PolarHBondContact O-N 3.22Å
147T55.3Low63.8Low147 Ų147102.2 Ų102.290%0.90263%0.634SS**SBendtrans-65.828.8-178.8-30.10000114.1P145P145-T147 PolarHBondContact O-N 3.03Å; P145-T147 VanDerWaalsContact O-N 3.13Å
148T50.6Low62.2Low129 Ų129108.8 Ų108.879%0.79166%0.661SS**  trans-13553.4-167.2-28.80000111T146T146-T148 PolarHBondContact O-N 3.22Å
149A45.2Very low61Low79 Ų79108.9 Ų108.965%0.65366%0.655SS**SBendtrans-160.487.3162.400000110.1
150T42.4Very low59.4Low126 Ų126105.6 Ų105.677%0.77366%0.655SS**  trans49.284.114958.40000116.9T152T150-T152 VanDerWaalsContact C-N 3.32Å; T150-T152 PolarHBondContact O-N 2.96Å
151A40.9Very low57.6Low104 Ų104110.7 Ų110.786%0.8669%0.687SS**  trans-64.991.615300000109.6T153A151-T153 VanDerWaalsContact C-N 3.34Å
152T43.3Very low55.7Low123 Ų123111.7 Ų111.776%0.75569%0.694SS**  trans-92.272.6153.850.30000108.5T150T150-T152 VanDerWaalsContact C-N 3.32Å; T150-T152 PolarHBondContact O-N 2.96Å
153T47.2Very low53.7Low125 Ų125119 Ų11977%0.76773%0.726SS**SBendtrans-175.9104.6141.421.60000109.1A151A151-T153 VanDerWaalsContact C-N 3.34Å
154T44.9Very low51.8Low121 Ų121125.1 Ų125.174%0.74276%0.759SS**  trans80.8115.2140.7-13.80000118.9
155T50.2Low50.1Low115 Ų115130.4 Ų130.471%0.70679%0.788SS**  trans94103.11454.50000119.5
156T47.9Very low48.7Very low116 Ų116136.3 Ų136.371%0.71280%0.796SS**  trans58.9105.914238.20000116.9
157S50.2Low47.9Very low120 Ų120137.5 Ų137.584%0.83981%0.807SS**  -164.6135.683.5-63.20000111.2
158L52.5Low47.5Very low168 Ų168135.3 Ų135.388%0.8880%0.804SS**  trans-84.1127-176.5-61.586.3000111.2
159S56Low47.4Very low112 Ų112133.1 Ų133.178%0.78380%0.799SS**  trans-169.1103.3138.756.80000111.9
160S45.9Very low47.4Very low115 Ų115138.1 Ų138.180%0.80481%0.809SS**  trans70.5108.6137.1-540000121
161P48Very low47.5Very low123 Ų123137.7 Ų137.780%0.79981%0.811SS**  trans-97.6109.4161.733.8-21.4000110
162H44.1Very low47.6Very low183 Ų183142.1 Ų142.185%0.84781%0.814SS**  trans-162.577.9168.6-121.1-80000112.1
163Q49.1Very low47.8Very low191 Ų191142.4 Ų142.489%0.89382%0.816SS**  trans-155.887.9153.4-74-59.817.600109
164L46.7Very low47.6Very low172 Ų172142 Ų14290%0.90183%0.825SS**  trans-79.3140.1157.7-79.3164.9000108
165L49.5Very low47.6Very low170 Ų170138.9 Ų138.989%0.8982%0.817SS**  trans79.373159-155.269.8000118.8
166R47.5Very low47.6Very low243 Ų243142 Ų14292%0.91782%0.824SS**  trans-177.8119.8156.4-110.8168.6-172.1-157.1-1.3105.1
167S47.6Very low47.9Very low106 Ų106145.1 Ų145.174%0.74183%0.83SS**  cis-159.212247.2-57.90000108.3
168A48.8Very low48.2Very low101 Ų101148 Ų14884%0.83583%0.828SS**  trans-77.6152152.100000107.4
169A47.6Very low48.9Very low83 Ų83142 Ų14269%0.68680%0.799SS**  trans91.5136.2-178.400000115.2
170E44.7Very low49.6Very low183 Ų183142 Ų14286%0.85579%0.79SS**  trans86.884.6160.5-53.4171.617300116.7
171S44.8Very low51.2Low118 Ų118143.1 Ų143.183%0.82579%0.786SS**  trans-160.195.2132.5-83.70000109.3T173S171-T173 PolarHBondContact O-N 3.44Å
172E44.1Very low52.7Low197 Ų197139.5 Ų139.592%0.92177%0.771SS**  trans-55.4117164.3-58176.2112.200109.2
173T46.3Very low54Low128 Ų128135.2 Ų135.279%0.78575%0.752SS**  trans-128.8102.5159.456.80000107.3S171 G175S171-T173 PolarHBondContact O-N 3.44Å; T173-G175 PolarHBondContact O-N 3.33Å
174A43.3Very low55Low116 Ų116132.4 Ų132.496%0.95973%0.734SS**  trans-46.2108.1169.200000110.1
175G44.8Very low56.5Low57 Ų57128.9 Ų128.959%0.58871%0.714SS**  trans-151.799.1175.400000107T173 E177T173-G175 PolarHBondContact O-N 3.33Å; G175-E177 PolarHBondContact O-N 3.07Å
176E50.3Low57.6Low181 Ų181126 Ų12685%0.84670%0.696SS**  trans7.184.7159.1-59.1-96.3112.200113F178E176-F178 PolarHBondContact O-N 3.35Å; E176-F178 VanDerWaalsContact O-N 3.1Å
177E54.8Low58.7Low180 Ų180115.7 Ų115.784%0.84166%0.659SS**  trans-76.897.9-176.4-168.3176.6154.600107.9G175G175-E177 PolarHBondContact O-N 3.07Å
178F56.7Low59.9Low181 Ų181116.8 Ų116.879%0.79466%0.656SS**PPolyproline II helixtrans-58.9132.8168.6-76.4-87.5000108.6E176 D180E176-F178 PolarHBondContact O-N 3.35Å; E176-F178 VanDerWaalsContact O-N 3.1Å; F178-D180 PolarHBondContact O-N 2.87Å
179P65.5Low60.9Low42 Ų42118.4 Ų118.427%0.27365%0.646SS.*PPolyproline II helixtrans-58.4134.3-179.922.3-32.1000110.2Q183 Y184 V199P179-Q183 HydrophobicContact CB-CB 4.06Å; P179-Q183 VanDerWaalsContact CB-OE1 3.3Å; P179-Y184 HydrophobicContact CG-CD2 4.07Å; P179-V199 HydrophobicContact CB-CG1 4.18Å; P179-V199 HydrophobicContact CG-CG1 4.23Å
180D72.1Confident61.6Low111 Ų111116 Ų11659%0.59462%0.624SS**PPolyproline II helixtrans-53.2147.4174.7177.250.4000110.6F178 G182 Q183 Y184F178-D180 PolarHBondContact O-N 2.87Å; D180-G182 PolarHBondContact O-N 3.3Å; D180-Q183 HydrophobicContact CB-CG 4.29Å; D180-Q183 WeakPolarHBondContact O-CA 3.37Å; D180-Q183 VanDerWaalsContact O-CB 3.31Å; D180-Q183 WeakPolarHBondContact O-CB 3.36Å; D180-Q183 PolarHBondContact O-N 2.97Å; D180-Y184 PolarHBondContact O-N 2.9Å; D180-Y184 VanDerWaalsContact O-N 3.15Å
181L78.1Confident62.6Low139 Ų139113.9 Ų113.973%0.72863%0.63SS**Hα-helixtrans-56.8-30-173.5-176.163.2000112.3Y184 M185L181-Y184 PolarHBondContact O-N 3.37Å; L181-M185 PolarHBondContact O-N 2.93Å
182G81Confident63.5Low47 Ų47110.9 Ų110.949%0.48561%0.609SS.*Hα-helixtrans-66.4-36.6173.100000113.7D180 M185 H186D180-G182 PolarHBondContact O-N 3.3Å; G182-M185 PolarHBondContact O-N 3.45Å; G182-H186 PolarHBondContact O-N 3.49Å
183Q70Confident64.5Low94 Ų94106 Ų10644%0.43959%0.589SS.*Hα-helixtrans-67.5-40.9174.7-60.3176.13.900110.3P179 D180 M185 H186 I187P179-Q183 HydrophobicContact CB-CB 4.06Å; P179-Q183 VanDerWaalsContact CB-OE1 3.3Å; D180-Q183 HydrophobicContact CB-CG 4.29Å; D180-Q183 WeakPolarHBondContact O-CA 3.37Å; D180-Q183 VanDerWaalsContact O-CB 3.31Å; D180-Q183 WeakPolarHBondContact O-CB 3.36Å; D180-Q183 PolarHBondContact O-N 2.97Å; Q183-M185 PolarHBondContact O-N 3Å; Q183-H186 PolarHBondContact O-N 3.38Å; Q183-I187 VanDerWaalsContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CG1 3.39Å; Q183-I187 PolarHBondContact O-N 2.89Å; Q183-I187 VanDerWaalsContact O-N 3.09Å
184Y70.7Confident65.5Low131 Ų131102.8 Ų102.851%0.51458%0.575SS.*Hα-helixtrans-62.7-40.8177.1-142.7-88.9000112.6P179 D180 L181 H186 I187 L188P179-Y184 HydrophobicContact CG-CD2 4.07Å; D180-Y184 PolarHBondContact O-N 2.9Å; D180-Y184 VanDerWaalsContact O-N 3.15Å; L181-Y184 PolarHBondContact O-N 3.37Å; Y184-H186 VanDerWaalsContact C-N 3.31Å; Y184-H186 PolarHBondContact O-N 3.02Å; Y184-I187 PolarHBondContact O-N 3.26Å; Y184-L188 HydrophobicContact CD1-CD1 3.72Å; Y184-L188 HydrophobicContact CD1-CG 4.04Å; Y184-L188 HydrophobicContact CE1-CD1 4.02Å; Y184-L188 HydrophobicContact CE1-CD2 4.41Å; Y184-L188 HydrophobicContact CE1-CG 4.22Å; Y184-L188 WeakPolarHBondContact O-CG 3.48Å; Y184-L188 PolarHBondContact O-N 3.49Å
185M78.1Confident66.5Low99 Ų9999.4 Ų99.449%0.48854%0.541SS..Hα-helixtrans-61.6-38175.3-105.8-119.557.700112.6L181 G182 Q183 Q189L181-M185 PolarHBondContact O-N 2.93Å; G182-M185 PolarHBondContact O-N 3.45Å; Q183-M185 PolarHBondContact O-N 3Å; M185-Q189 VanDerWaalsContact CE-CD 3.43Å; M185-Q189 HydrophobicContact CE-CG 3.91Å; M185-Q189 VanDerWaalsContact CE-NE2 3.33Å; M185-Q189 WeakPolarHBondContact O-CG 3.49Å; M185-Q189 PolarHBondContact O-N 3.11Å
186H72.6Confident67.5Low110 Ų11099.7 Ų99.751%0.50953%0.531SS..Hα-helixtrans-70.2-40.3178.7-162.860.9000112.2G182 Q183 Y184 Q189 S190G182-H186 PolarHBondContact O-N 3.49Å; Q183-H186 PolarHBondContact O-N 3.38Å; Y184-H186 VanDerWaalsContact C-N 3.31Å; Y184-H186 PolarHBondContact O-N 3.02Å; H186-Q189 PolarHBondContact O-N 3.29Å; H186-S190 PolarHBondContact O-N 3.09Å; H186-S190 VanDerWaalsContact O-N 3.07Å
187I69.9Low68.2Low26 Ų2699.4 Ų99.413%0.13352%0.522CS..Hα-helixtrans-65.7-38.8177-62.4158.1000111.3Q183 Y184 Q189 S190 V196 V199Q183-I187 VanDerWaalsContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CD1 3.29Å; Q183-I187 WeakPolarHBondContact O-CG1 3.39Å; Q183-I187 PolarHBondContact O-N 2.89Å; Q183-I187 VanDerWaalsContact O-N 3.09Å; Y184-I187 PolarHBondContact O-N 3.26Å; I187-Q189 PolarHBondContact O-N 3.21Å; I187-S190 PolarHBondContact O-N 3.07Å; I187-V196 HydrophobicContact CG2-CB 4.36Å; I187-V196 HydrophobicContact CG2-CG1 3.31Å; I187-V199 HydrophobicContact CD1-CB 3.83Å; I187-V199 HydrophobicContact CD1-CG1 3.63Å; I187-V199 HydrophobicContact CD1-CG2 3.58Å; I187-V199 HydrophobicContact CG1-CG2 3.99Å
188L73.1Confident68.7Low128 Ų12891.9 Ų91.967%0.6749%0.491SS*.Hα-helixtrans-70.1-22.2176.4-71.8174.3000113.2Y184Y184-L188 HydrophobicContact CD1-CD1 3.72Å; Y184-L188 HydrophobicContact CD1-CG 4.04Å; Y184-L188 HydrophobicContact CE1-CD1 4.02Å; Y184-L188 HydrophobicContact CE1-CD2 4.41Å; Y184-L188 HydrophobicContact CE1-CG 4.22Å; Y184-L188 WeakPolarHBondContact O-CG 3.48Å; Y184-L188 PolarHBondContact O-N 3.49Å
189Q70.6Confident69Low136 Ų13685.5 Ų85.564%0.63647%0.467SS*.Hα-helixtrans-89-20.9176.6-76.7178-3200113.1M185 H186 I187M185-Q189 VanDerWaalsContact CE-CD 3.43Å; M185-Q189 HydrophobicContact CE-CG 3.91Å; M185-Q189 VanDerWaalsContact CE-NE2 3.33Å; M185-Q189 WeakPolarHBondContact O-CG 3.49Å; M185-Q189 PolarHBondContact O-N 3.11Å; H186-Q189 PolarHBondContact O-N 3.29Å; I187-Q189 PolarHBondContact O-N 3.21Å
190S62.8Low68.9Low33 Ų3387.9 Ų87.923%0.23149%0.49CS..  trans-89.5119.9177.1910000110.6H186 I187 S192 D195H186-S190 PolarHBondContact O-N 3.09Å; H186-S190 VanDerWaalsContact O-N 3.07Å; I187-S190 PolarHBondContact O-N 3.07Å; S190-S192 PolarHBondContact O-N 3.21Å; S190-D195 VanDerWaalsContact CB-OD2 3.28Å; S190-D195 WeakPolarHBondContact CB-OD2 3.24Å; S190-D195 WeakPolarHBondContact OG-CB 3.2Å; S190-D195 PolarHBondContact OG-OD2 3.4Å
191S64.2Low68.6Low138 Ų13885.5 Ų85.597%0.96549%0.486SS*.  trans-73.616.9174.5-64.50000113.1
192S64.5Low67.8Low55 Ų5582.1 Ų82.139%0.38548%0.484SS..  trans-106.3116.8-170.1-167.50000111.3S190 A194 D195S190-S192 PolarHBondContact O-N 3.21Å; S192-A194 PolarHBondContact O-N 3.03Å; S192-D195 PolarHBondContact O-N 3.4Å; S192-D195 VanDerWaalsContact O-N 3.11Å
193D65.9Low66.7Low94 Ų9485.2 Ų85.250%0.50349%0.489SS..Hα-helixtrans-58.1-17.5175.3-158-104.1000112.8V196 R197D193-V196 WeakPolarHBondContact O-CG2 3.14Å; D193-R197 WeakPolarHBondContact O-CB 3.24Å; D193-R197 WeakPolarHBondContact O-CG 3.43Å; D193-R197 PolarHBondContact O-N 3.25Å; D193-R197 IonicContact OD1-CZ 2.91Å; D193-R197 VanDerWaalsContact OD1-CZ 3.23Å; D193-R197 IonicContact OD1-NE 3.23Å; D193-R197 PolarHBondContact OD1-NE 3.36Å; D193-R197 IonicContact OD1-NH1 2.85Å; D193-R197 PolarHBondContact OD1-NH1 3Å; D193-R197 IonicContact OD1-NH2 3.91Å
194A66.7Low66Low61 Ų6184.6 Ų84.650%0.50449%0.493SS..Hα-helixtrans-72.3-34.8177.400000113S192 R197 A198S192-A194 PolarHBondContact O-N 3.03Å; A194-R197 PolarHBondContact O-N 3.15Å; A194-A198 WeakPolarHBondContact O-CB 3.5Å; A194-A198 PolarHBondContact O-N 3.34Å
195D64.3Low65.2Low44 Ų4483.4 Ų83.424%0.23550%0.495CS..Hα-helixtrans-78.3-40.1-174.7-61.1-36.1000111.2S190 S192 R197 A198 V199S190-D195 VanDerWaalsContact CB-OD2 3.28Å; S190-D195 WeakPolarHBondContact CB-OD2 3.24Å; S190-D195 WeakPolarHBondContact OG-CB 3.2Å; S190-D195 PolarHBondContact OG-OD2 3.4Å; S192-D195 PolarHBondContact O-N 3.4Å; S192-D195 VanDerWaalsContact O-N 3.11Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 2.98Å; D195-A198 PolarHBondContact O-N 3.09Å; D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 2.97Å; D195-V199 VanDerWaalsContact O-N 3.09Å
196V65Low64.1Low63 Ų6385.5 Ų85.538%0.38251%0.505SS..Hα-helixtrans-59.8-39.8170.8-80.10000111.6I187 D193 A200I187-V196 HydrophobicContact CG2-CB 4.36Å; I187-V196 HydrophobicContact CG2-CG1 3.31Å; D193-V196 WeakPolarHBondContact O-CG2 3.14Å; V196-A200 VanDerWaalsContact O-CB 3.24Å; V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.37Å
197R66.5Low63.1Low175 Ų17587.9 Ų87.966%0.6652%0.522SS*.Hα-helixtrans-70.7-37.9176.7-81-174.6175.8151.75.5113.2D193 A194 D195 A201D193-R197 WeakPolarHBondContact O-CB 3.24Å; D193-R197 WeakPolarHBondContact O-CG 3.43Å; D193-R197 PolarHBondContact O-N 3.25Å; D193-R197 IonicContact OD1-CZ 2.91Å; D193-R197 VanDerWaalsContact OD1-CZ 3.23Å; D193-R197 IonicContact OD1-NE 3.23Å; D193-R197 PolarHBondContact OD1-NE 3.36Å; D193-R197 IonicContact OD1-NH1 2.85Å; D193-R197 PolarHBondContact OD1-NH1 3Å; D193-R197 IonicContact OD1-NH2 3.91Å; A194-R197 PolarHBondContact O-N 3.15Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 2.98Å; R197-A201 VanDerWaalsContact O-CB 3.24Å; R197-A201 WeakPolarHBondContact O-CB 3.41Å; R197-A201 PolarHBondContact O-N 3.43Å
198A65.6Low62.1Low22 Ų2298.4 Ų98.418%0.18256%0.56CS.*Hα-helixtrans-64.7-42.5178.300000111.4A194 D195 A201 G202 L203A194-A198 WeakPolarHBondContact O-CB 3.5Å; A194-A198 PolarHBondContact O-N 3.34Å; D195-A198 PolarHBondContact O-N 3.09Å; A198-A201 PolarHBondContact O-N 3.11Å; A198-G202 PolarHBondContact O-N 3.03Å; A198-L203 PolarHBondContact O-N 2.68Å
199V62.5Low60.7Low48 Ų4899.5 Ų99.529%0.29157%0.566SS.*Hα-helixtrans-71-41.1177.8175.80000111.4P179 I187 D195 A201 G202P179-V199 HydrophobicContact CB-CG1 4.18Å; P179-V199 HydrophobicContact CG-CG1 4.23Å; I187-V199 HydrophobicContact CD1-CB 3.83Å; I187-V199 HydrophobicContact CD1-CG1 3.63Å; I187-V199 HydrophobicContact CD1-CG2 3.58Å; I187-V199 HydrophobicContact CG1-CG2 3.99Å; D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 2.97Å; D195-V199 VanDerWaalsContact O-N 3.09Å; V199-A201 PolarHBondContact O-N 3.32Å; V199-G202 PolarHBondContact O-N 3.48Å; V199-G202 VanDerWaalsContact O-N 3.11Å
200A62.9Low59.9Low91 Ų9197.9 Ų97.975%0.75257%0.567SS**Hα-helixtrans-63.2-26.9174.200000113.2V196 G202V196-A200 VanDerWaalsContact O-CB 3.24Å; V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.37Å; A200-G202 VanDerWaalsContact C-N 3.34Å
201A66.3Low59.7Low62 Ų62102.6 Ų102.651%0.51260%0.597SS.*THydrogen-bonded Turntrans-87.81.6177.300000113.7R197 A198 V199 L203R197-A201 VanDerWaalsContact O-CB 3.24Å; R197-A201 WeakPolarHBondContact O-CB 3.41Å; R197-A201 PolarHBondContact O-N 3.43Å; A198-A201 PolarHBondContact O-N 3.11Å; V199-A201 PolarHBondContact O-N 3.32Å; A201-L203 HydrophobicContact CB-CD1 3.95Å; A201-L203 HydrophobicContact CB-CG 3.86Å; A201-L203 PolarHBondContact O-N 3.45Å; A201-L203 VanDerWaalsContact O-N 3.15Å
202G61.8Low59.3Low67 Ų67101.8 Ų101.869%0.69159%0.586SS**THydrogen-bonded Turntrans60.221.2-174.200000113A198 V199 A200A198-G202 PolarHBondContact O-N 3.03Å; V199-G202 PolarHBondContact O-N 3.48Å; V199-G202 VanDerWaalsContact O-N 3.11Å; A200-G202 VanDerWaalsContact C-N 3.34Å
203L57.5Low58.7Low112 Ų112106.3 Ų106.359%0.58661%0.606SS**  trans-84.6124.7-178.6-70175.9000108.7A198 A201 L205A198-L203 PolarHBondContact O-N 2.68Å; A201-L203 HydrophobicContact CB-CD1 3.95Å; A201-L203 HydrophobicContact CB-CG 3.86Å; A201-L203 PolarHBondContact O-N 3.45Å; A201-L203 VanDerWaalsContact O-N 3.15Å; L203-L205 PolarHBondContact O-N 3.46Å
204P54.6Low57.8Low81 Ų81105 Ų10553%0.52662%0.615SS.*  trans-56.7130.2175.920-30.3000109.9M206P204-M206 HydrophobicContact CB-CE 3.66Å; P204-M206 HydrophobicContact CB-CG 4.18Å; P204-M206 HydrophobicContact CB-SD 3.59Å; P204-M206 VanDerWaalsContact CB-SD 3.59Å; P204-M206 HydrophobicContact CG-CE 3.5Å; P204-M206 VanDerWaalsContact CG-CE 3.5Å; P204-M206 HydrophobicContact CG-SD 3.37Å; P204-M206 WeakPolarHBondContact CG-SD 3.37Å; P204-M206 PolarHBondContact O-N 2.74Å
205L54.4Low56.9Low106 Ų106114.1 Ų114.156%0.55564%0.636SS**  trans-69.563.3175.7-164.179.9000109.5L203 N207L203-L205 PolarHBondContact O-N 3.46Å; L205-N207 PolarHBondContact O-N 3.36Å
206M54.9Low56.3Low143 Ų143120.2 Ų120.270%0.70466%0.663SS**  trans-82.4109.4175.2-72.7136.9168.700108.2P204 R208P204-M206 HydrophobicContact CB-CE 3.66Å; P204-M206 HydrophobicContact CB-CG 4.18Å; P204-M206 HydrophobicContact CB-SD 3.59Å; P204-M206 VanDerWaalsContact CB-SD 3.59Å; P204-M206 HydrophobicContact CG-CE 3.5Å; P204-M206 VanDerWaalsContact CG-CE 3.5Å; P204-M206 HydrophobicContact CG-SD 3.37Å; P204-M206 WeakPolarHBondContact CG-SD 3.37Å; P204-M206 PolarHBondContact O-N 2.74Å; M206-R208 PolarHBondContact O-N 3.39Å
207N51.4Low55.7Low161 Ų161122.7 Ų122.786%0.86167%0.674SS**  trans6.682.5150.7-80.59000114.3L205 L209L205-N207 PolarHBondContact O-N 3.36Å; N207-L209 PolarHBondContact O-N 2.9Å
208R48.4Very low55.2Low247 Ų247122.6 Ų122.693%0.93268%0.681SS**  trans-94.390.5164.6-113.3-176.7-179.5169.61.8108.3M206M206-R208 PolarHBondContact O-N 3.39Å
209L44.6Very low54.6Low151 Ų151125.2 Ų125.279%0.79171%0.71SS**  trans-44.9138.3160.3-70.5164.6000109.2N207N207-L209 PolarHBondContact O-N 2.9Å
210P54Low54.1Low102 Ų102128.9 Ų128.966%0.66274%0.738SS**  trans-62.6138.8172.828.1-33.2000108.5V212P210-V212 PolarHBondContact O-N 2.89Å
211P57.5Low53.8Low131 Ų131129.8 Ų129.885%0.85174%0.739SS**  trans-64.8101166.626.3-30.1000108.5
212V57.1Low53.2Low121 Ų121132.5 Ų132.573%0.73375%0.754SS**  trans-79.7119.5152.1150.30000106.2P210P210-V212 PolarHBondContact O-N 2.89Å
213D51.4Low52.9Low151 Ų151134 Ų13481%0.80776%0.759SS**  trans147.9110.4156.9-83.1-35.2000106.7
214G46.5Very low53.1Low67 Ų67133.9 Ų133.969%0.69177%0.768SS**  cis89.784.144.600000108.5
215R48.3Very low53.2Low251 Ų251136 Ų13695%0.94779%0.785SS**  trans-176.3123.9138.8-107.2172.4179.4160.31.3112.8
216Q52Low53.7Low172 Ų172134.3 Ų134.380%0.80479%0.794SS**  trans-58143.7159.2-62.8161-8.500109
217D51.9Low53.7Low116 Ų116143.3 Ų143.362%0.6282%0.82SS**  169.5125.5118.4-93.5-155000112.6
218H54.9Low53.8Low172 Ų172142.5 Ų142.580%0.79682%0.818SS**  trans56.9128134.2-48-39.6000121.9
219G53.1Low54.1Low77 Ų77136.9 Ų136.979%0.79481%0.812SS**  trans167.769.2160.100000114.7
220S51.9Low54.6Low125 Ų125136.2 Ų136.287%0.87481%0.813SS**  trans-63.6129.8173.7-49.60000113.1
221S58.5Low54.6Low111 Ų111138.2 Ų138.278%0.77682%0.822SS**  trans172.8135.9154.146.30000107.6
222S53.1Low54.5Low118 Ų118138.6 Ų138.683%0.82582%0.82SS**  cis-176.6124.72.944.60000103.4
223A55.9Low54.3Low98 Ų98139.8 Ų139.881%0.8183%0.826SS**  trans-141.6131.2175.300000110.3
224S61.5Low54.5Low111 Ų111139 Ų13978%0.77683%0.827SS**  trans74.299.9142-170.50000116.4
225S56.5Low55.1Low124 Ų124144.5 Ų144.587%0.86784%0.837SS**  78.2121.182.1-159.50000112.6
226G63.8Low55.7Low72 Ų72135.7 Ų135.774%0.74283%0.828SS**  trans133.2104153.900000116.6
227R55.2Low56Low332 Ų332132.4 Ų132.4100%1.25383%0.83SS**  trans75.30154.7-92.2177171.1-138.8-1.9120

Retrieved 227 of 227 residues in 98.1 ms (Link to these results)