A0A087WTG7_HUMAN Loading...

Dipeptidyl peptidase like 6

AlphaFold DB , UniProt , Accession A0A087WTG7, Species HUMAN (Homo sapiens, Human), Gene DPP6, Length 291 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
1M36.7Very low37.1Very low233 Ų233136.2 Ų136.2100%1.14884%0.843SS**  0128.60-75.3172.6171.600108.1
2T40Very low36.9Very low130 Ų130142.7 Ų142.780%0.79885%0.851SS**  trans53.6104.815159.10000121.2
3T36.4Very low36.8Very low138 Ų138139.4 Ų139.485%0.84784%0.839SS**  trans6135130.8560000121.6
4A40.9Very low37Very low99 Ų99137.9 Ų137.982%0.81883%0.83SS**  trans-165113135.900000108.1
5K37.9Very low36.9Very low209 Ų209139 Ų13991%0.90982%0.823SS**  101106.977.3-166.7163.3-176.2168.90111.9
6E37.4Very low37Very low166 Ų166140.3 Ų140.378%0.77682%0.818SS**  trans-28.7170.5162.2-84.4-94.612900118.2
7P46.6Very low37.4Very low111 Ų111141.1 Ų141.172%0.72181%0.812SS**  cis-148.2170.627.840.7-19.3000120.4
8S32.9Very low37.5Very low103 Ų103144 Ų14472%0.7282%0.817SS**  trans72.6114132.9165.10000121.9
9A36.7Very low37.8Very low98 Ų98144.5 Ų144.581%0.8181%0.812SS**  -167118.4106.800000112.6
10S32.3Very low37.7Very low134 Ų134145.6 Ų145.694%0.93781%0.81SS**  trans-22.6136.4166.2-161.10000119.9
11G30.6Very low38.1Very low77 Ų77145.2 Ų145.279%0.79481%0.806SS**  trans172.474.2162.900000112.2
12K33.9Very low38Very low214 Ų214141.3 Ų141.393%0.9380%0.795SS**  trans-127.8145.5170-97.8-175.9-177.4177.10112
13S36.2Very low38.5Very low100 Ų100139 Ų13970%0.69980%0.797SS**  trans-97.2157.1-165.853.20000113.5
14V40.1Very low38.9Very low118 Ų118137.7 Ų137.772%0.71579%0.793SS**  trans75.3126151.3-151.20000118.7
15Q35Very low39Very low155 Ų155139.8 Ų139.872%0.72479%0.791SS**  152.4105120.3-76.3-84.8-27.400111.3
16Q39.2Very low40Very low159 Ų159134.7 Ų134.774%0.74378%0.779SS**  49.1119.5124-150.5142.6-8.800122
17Q42.8Very low40.9Very low154 Ų154131.7 Ų131.772%0.7277%0.774SS**  trans98.6106.9134-159.1162.9-5.800120.2
18E40.2Very low41.4Very low194 Ų194134.3 Ų134.391%0.90778%0.777SS**  trans-142.9129.6138-120.9-175.7117.800109.5
19Q42.8Very low42.8Very low154 Ų154138.7 Ų138.772%0.7278%0.778SS**  trans-77.1146.1164.6-82166.8-50.600108.3
20E35.9Very low44.5Very low165 Ų165139.5 Ų139.577%0.77177%0.768SS**  170.3114.4125.1-80.4-93.6113.500111.1
21L44.7Very low46.6Very low139 Ų139142.5 Ų142.573%0.72876%0.759SS**  trans44.5107142.8-73.371.8000121.3
22V36.2Very low49Very low151 Ų151147.4 Ų147.492%0.91576%0.758SS**  -154.1134.5108.5177.10000107.2S24V22-S24 PolarHBondContact O-N 3.45Å
23G49.2Very low51.4Low81 Ų81139 Ų13984%0.83573%0.732SS**  trans-56.4128.6-165.500000116.2
24S45.2Very low53.8Low110 Ų110139.4 Ų139.477%0.76973%0.726SS**  trans-117.7119.614667.50000106.8V22V22-S24 PolarHBondContact O-N 3.45Å
25N44.1Very low56Low143 Ų143136.4 Ų136.477%0.76571%0.714SS**  trans-17.4134.8166.3-131.3-84.5000112.9
26P58.1Low58.6Low103 Ų103134.1 Ų134.167%0.66971%0.705SS**  trans-48124.417322.2-32000106.5Q28P26-Q28 PolarHBondContact O-N 3.21Å
27P55.6Low61Low103 Ų103128.9 Ų128.967%0.66969%0.689SS**  trans-51.5117-178.320.1-30.5000104.3R29P27-R29 WeakPolarHBondContact O-CA 3.45Å; P27-R29 PolarHBondContact O-N 3.44Å
28Q57.8Low63.3Low165 Ų165126.5 Ų126.577%0.77168%0.681SS**  trans-59.786.2-178.7-176.3-179.19.300104.2P26 N30P26-Q28 PolarHBondContact O-N 3.21Å; Q28-N30 VanDerWaalsContact C-N 3.3Å; Q28-N30 VanDerWaalsContact O-CG 3.32Å; Q28-N30 PolarHBondContact O-N 3.45Å; Q28-N30 PolarHBondContact O-ND2 2.89Å; Q28-N30 PolarHBondContact O-OD1 3.03Å
29R61.4Low65.8Low196 Ų196122.7 Ų122.774%0.7467%0.666SS**  trans-64.6108.5-173.8-97.5-176.3134.6120.2-3.9101P27 W31P27-R29 WeakPolarHBondContact O-CA 3.45Å; P27-R29 PolarHBondContact O-N 3.44Å; R29-W31 PolarHBondContact O-N 3.24Å
30N72.2Confident68.3Low114 Ų114118.9 Ų118.961%0.6165%0.653SS**  trans-67.575.6-176.2-63.2-68000106.6Q28 K32 G33 I34Q28-N30 VanDerWaalsContact C-N 3.3Å; Q28-N30 VanDerWaalsContact O-CG 3.32Å; Q28-N30 PolarHBondContact O-N 3.45Å; Q28-N30 PolarHBondContact O-ND2 2.89Å; Q28-N30 PolarHBondContact O-OD1 3.03Å; N30-K32 PolarHBondContact O-N 3.06Å; N30-G33 CarbonylContact O-C 3.5Å; N30-G33 WeakPolarHBondContact O-CA 3.45Å; N30-G33 PolarHBondContact O-N 3.45Å; N30-I34 PolarHBondContact O-N 2.8Å
31W78.3Confident71.1Confident198 Ų198115.7 Ų115.775%0.7564%0.64SS**Hα-helixtrans-61-29-180-66.9-13.6000109.8R29 I34 A35R29-W31 PolarHBondContact O-N 3.24Å; W31-I34 WeakPolarHBondContact O-CG2 3.49Å; W31-A35 WeakPolarHBondContact O-CB 3.39Å; W31-A35 PolarHBondContact O-N 2.8Å
32K80.3Confident73.3Confident179 Ų179115 Ų11578%0.77864%0.637SS**Hα-helixtrans-63.5-45.9167.3-76.7175.7169.21750112N30 A35 I36N30-K32 PolarHBondContact O-N 3.06Å; K32-A35 PolarHBondContact O-N 3.24Å; K32-I36 VanDerWaalsContact O-CD1 3.28Å; K32-I36 WeakPolarHBondContact O-CD1 3.48Å; K32-I36 WeakPolarHBondContact O-CG1 3.36Å; K32-I36 PolarHBondContact O-N 2.56Å
33G84.5Confident76.2Confident37 Ų37111.5 Ų111.538%0.38162%0.615SS.*Hα-helixtrans-66.5-42.9179.100000113.5N30 I36 A37N30-G33 CarbonylContact O-C 3.5Å; N30-G33 WeakPolarHBondContact O-CA 3.45Å; N30-G33 PolarHBondContact O-N 3.45Å; G33-I36 PolarHBondContact O-N 2.9Å; G33-A37 WeakPolarHBondContact O-CB 3.13Å; G33-A37 PolarHBondContact O-N 2.95Å
34I86.4Confident78.4Confident109 Ų109112 Ų11256%0.55960%0.598SS**Hα-helixtrans-66.1-38.9176.9-155.278.6000111N30 W31 A37 L38N30-I34 PolarHBondContact O-N 2.8Å; W31-I34 WeakPolarHBondContact O-CG2 3.49Å; I34-A37 PolarHBondContact O-N 3.26Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-L38 VanDerWaalsContact O-CG 3.25Å; I34-L38 WeakPolarHBondContact O-CG 3.28Å; I34-L38 PolarHBondContact O-N 3.07Å
35A86.1Confident80.7Confident56 Ų56109.8 Ų109.846%0.46358%0.582SS.*Hα-helixtrans-65.8-41.1177.800000112W31 K32 L38 L39W31-A35 WeakPolarHBondContact O-CB 3.39Å; W31-A35 PolarHBondContact O-N 2.8Å; K32-A35 PolarHBondContact O-N 3.24Å; A35-L38 PolarHBondContact O-N 3.3Å; A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 PolarHBondContact O-N 3.44Å
36I90.3Very high83Confident107 Ų107105.8 Ų105.855%0.54957%0.565SS.*Hα-helixtrans-65.8-44176.9-66.5160.8000110.5K32 G33 L38 L39 V40K32-I36 VanDerWaalsContact O-CD1 3.28Å; K32-I36 WeakPolarHBondContact O-CD1 3.48Å; K32-I36 WeakPolarHBondContact O-CG1 3.36Å; K32-I36 PolarHBondContact O-N 2.56Å; G33-I36 PolarHBondContact O-N 2.9Å; I36-L38 VanDerWaalsContact C-N 3.34Å; I36-L38 PolarHBondContact O-N 3.33Å; I36-L39 PolarHBondContact O-N 3.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.16Å; I36-V40 PolarHBondContact O-N 3.01Å; I36-V40 VanDerWaalsContact O-N 3.07Å
37A89.6Confident84.6Confident49 Ų49106.2 Ų106.241%0.40556%0.561SS.*Hα-helixtrans-60.6-43.2176.600000111.9G33 I34 V40 I41G33-A37 WeakPolarHBondContact O-CB 3.13Å; G33-A37 PolarHBondContact O-N 2.95Å; I34-A37 PolarHBondContact O-N 3.26Å; A37-V40 PolarHBondContact O-N 2.99Å; A37-I41 WeakPolarHBondContact O-CD1 3.19Å; A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.4Å; A37-I41 PolarHBondContact O-N 3.42Å; A37-I41 VanDerWaalsContact O-N 3.15Å
38L90.6Very high86.4Confident103 Ų103106 Ų10654%0.53955%0.553SS.*Hα-helixtrans-65-40.2177.1-71.7174.3000112.5I34 A35 I36 I41 L42I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-L38 VanDerWaalsContact O-CG 3.25Å; I34-L38 WeakPolarHBondContact O-CG 3.28Å; I34-L38 PolarHBondContact O-N 3.07Å; A35-L38 PolarHBondContact O-N 3.3Å; I36-L38 VanDerWaalsContact C-N 3.34Å; I36-L38 PolarHBondContact O-N 3.33Å; L38-I41 PolarHBondContact O-N 3.04Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 2.84Å; L38-L42 VanDerWaalsContact O-N 3.12Å
39L91.6Very high87.9Confident115 Ų115102.1 Ų102.160%0.60254%0.541SS*.Hα-helixtrans-60.6-46.8176.6-172.192.8000111.3A35 I36 I41 L42 V43A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 PolarHBondContact O-N 3.44Å; I36-L39 PolarHBondContact O-N 3.26Å; L39-I41 VanDerWaalsContact C-N 3.35Å; L39-I41 PolarHBondContact O-N 3.45Å; L39-L42 PolarHBondContact O-N 3.23Å; L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.31Å; L39-V43 VanDerWaalsContact O-N 3.1Å
40V95.6Very high89.2Confident74 Ų7496.3 Ų96.345%0.44853%0.527SS..Hα-helixtrans-64.4-41.3-178173.90000111.1I36 A37 L42 V43 I44I36-V40 WeakPolarHBondContact O-CG2 3.16Å; I36-V40 PolarHBondContact O-N 3.01Å; I36-V40 VanDerWaalsContact O-N 3.07Å; A37-V40 PolarHBondContact O-N 2.99Å; V40-L42 PolarHBondContact O-N 3.42Å; V40-V43 PolarHBondContact O-N 3.01Å; V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.49Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 3.32Å
41I94.6Very high90Very high97 Ų9793.5 Ų93.550%0.49752%0.517SS..Hα-helixtrans-61-45.1176-67.3163.9000110.8A37 L38 L39 V43 I44 C45A37-I41 WeakPolarHBondContact O-CD1 3.19Å; A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.4Å; A37-I41 PolarHBondContact O-N 3.42Å; A37-I41 VanDerWaalsContact O-N 3.15Å; L38-I41 PolarHBondContact O-N 3.04Å; L39-I41 VanDerWaalsContact C-N 3.35Å; L39-I41 PolarHBondContact O-N 3.45Å; I41-V43 VanDerWaalsContact C-N 3.32Å; I41-V43 PolarHBondContact O-N 2.91Å; I41-I44 PolarHBondContact O-N 3.1Å; I41-C45 VanDerWaalsContact O-CB 3.32Å; I41-C45 WeakPolarHBondContact O-CB 3.36Å; I41-C45 PolarHBondContact O-N 3.07Å; I41-C45 PolarHBondContact O-SG 2.88Å
42L92.7Very high90.5Very high125 Ų12587.9 Ų87.965%0.65450%0.504SS*.Hα-helixtrans-61.2-39.8178.6-73.5177.6000112.7L38 L39 V40 S46L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 2.84Å; L38-L42 VanDerWaalsContact O-N 3.12Å; L39-L42 PolarHBondContact O-N 3.23Å; V40-L42 PolarHBondContact O-N 3.42Å; L42-S46 WeakPolarHBondContact O-CB 3.28Å; L42-S46 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-OG 2.64Å
43V95.3Very high90.5Very high77 Ų7784.4 Ų84.447%0.46749%0.493SS..Hα-helixtrans-66.4-44.4177.3173.80000111.2L39 V40 I41 S46 L47L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.31Å; L39-V43 VanDerWaalsContact O-N 3.1Å; V40-V43 PolarHBondContact O-N 3.01Å; I41-V43 VanDerWaalsContact C-N 3.32Å; I41-V43 PolarHBondContact O-N 2.91Å; V43-S46 PolarHBondContact O-N 3.42Å; V43-S46 PolarHBondContact O-OG 3.06Å; V43-L47 HydrophobicContact CG1-CD1 4.24Å; V43-L47 VanDerWaalsContact O-CG 3.28Å; V43-L47 WeakPolarHBondContact O-CG 3.25Å; V43-L47 PolarHBondContact O-N 3.4Å
44I96.2Very high90Very high91 Ų9188.8 Ų88.847%0.46751%0.507SS..Hα-helixtrans-66.9-43.4178.6-65.5169.4000110.4V40 I41 S46 L47 I48V40-I44 HydrophobicContact CG1-CD1 3.83Å; V40-I44 HydrophobicContact CG1-CG1 4.49Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 3.32Å; I41-I44 PolarHBondContact O-N 3.1Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 2.87Å; I44-L47 PolarHBondContact O-N 3.27Å; I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 HydrophobicContact CG2-CG1 4.42Å; I44-I48 VanDerWaalsContact O-CG1 3.3Å; I44-I48 WeakPolarHBondContact O-CG1 3.46Å; I44-I48 PolarHBondContact O-N 3.12Å
45C93.7Very high89.6Confident65 Ų6590.1 Ų90.144%0.43951%0.514SS..Hα-helixtrans-60.7-41.3176.7-73.50000112.1I41 I48 V49I41-C45 VanDerWaalsContact O-CB 3.32Å; I41-C45 WeakPolarHBondContact O-CB 3.36Å; I41-C45 PolarHBondContact O-N 3.07Å; I41-C45 PolarHBondContact O-SG 2.88Å; C45-I48 PolarHBondContact O-N 3.47Å; C45-V49 WeakPolarHBondContact O-CG2 3.39Å; C45-V49 PolarHBondContact O-N 3.43Å
46S92.9Very high89Confident59 Ų5991.9 Ų91.941%0.41352%0.519SS..Hα-helixtrans-65.4-42.3176.872.30000111.5L42 V43 I44 I48 V49 T50L42-S46 WeakPolarHBondContact O-CB 3.28Å; L42-S46 PolarHBondContact O-N 3.26Å; L42-S46 PolarHBondContact O-OG 2.64Å; V43-S46 PolarHBondContact O-N 3.42Å; V43-S46 PolarHBondContact O-OG 3.06Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 2.87Å; S46-I48 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.46Å; S46-V49 PolarHBondContact O-N 2.97Å; S46-T50 WeakPolarHBondContact O-CB 3.45Å; S46-T50 PolarHBondContact O-N 3.41Å; S46-T50 PolarHBondContact O-OG1 3.48Å; S46-T50 VanDerWaalsContact O-OG1 3.04Å
47L90.9Very high87.6Confident112 Ų11289.2 Ų89.259%0.58651%0.509SS*.Hα-helixtrans-61.5-40175.6-70.4173.9000112.3V43 I44 S51V43-L47 HydrophobicContact CG1-CD1 4.24Å; V43-L47 VanDerWaalsContact O-CG 3.28Å; V43-L47 WeakPolarHBondContact O-CG 3.25Å; V43-L47 PolarHBondContact O-N 3.4Å; I44-L47 PolarHBondContact O-N 3.27Å; L47-S51 WeakPolarHBondContact O-CB 3.12Å; L47-S51 PolarHBondContact O-N 3.45Å
48I93.9Very high86.2Confident97 Ų9790.3 Ų90.350%0.49752%0.518SS..Hα-helixtrans-63.7-48.7175.4-66165.3000110.3I44 C45 S46 S51 V52I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 HydrophobicContact CG2-CG1 4.42Å; I44-I48 VanDerWaalsContact O-CG1 3.3Å; I44-I48 WeakPolarHBondContact O-CG1 3.46Å; I44-I48 PolarHBondContact O-N 3.12Å; C45-I48 PolarHBondContact O-N 3.47Å; S46-I48 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.46Å; I48-S51 PolarHBondContact O-N 3.24Å; I48-V52 HydrophobicContact CG2-CG2 4.38Å; I48-V52 VanDerWaalsContact O-CG2 3.28Å; I48-V52 WeakPolarHBondContact O-CG2 3.46Å; I48-V52 PolarHBondContact O-N 3.15Å
49V90.2Very high84.6Confident84 Ų8491.4 Ų91.451%0.50952%0.52SS..Hα-helixtrans-62.8-47-179.7172.60000111.2C45 S46 S51 V52 I53C45-V49 WeakPolarHBondContact O-CG2 3.39Å; C45-V49 PolarHBondContact O-N 3.43Å; S46-V49 PolarHBondContact O-N 2.97Å; V49-S51 VanDerWaalsContact C-N 3.32Å; V49-S51 PolarHBondContact O-N 2.83Å; V49-V52 PolarHBondContact O-N 2.83Å; V49-I53 HydrophobicContact CG1-CD1 3.75Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.28Å; V49-I53 PolarHBondContact O-N 2.84Å
50T87.3Confident82.7Confident75 Ų7590.5 Ų90.546%0.4652%0.516SS..Hα-helixtrans-61.8-41175.5-58.50000111S46 V52 I53 L54S46-T50 WeakPolarHBondContact O-CB 3.45Å; S46-T50 PolarHBondContact O-N 3.41Å; S46-T50 PolarHBondContact O-OG1 3.48Å; S46-T50 VanDerWaalsContact O-OG1 3.04Å; T50-V52 PolarHBondContact O-N 2.97Å; T50-I53 PolarHBondContact O-N 2.78Å; T50-L54 HydrophobicContact CG2-CD1 3.83Å; T50-L54 HydrophobicContact CG2-CG 4.23Å; T50-L54 WeakPolarHBondContact O-CB 3.39Å; T50-L54 VanDerWaalsContact O-CG 3.25Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.41Å
51S89Confident80.5Confident55 Ų5593 Ų9339%0.38553%0.527SS..Hα-helixtrans-64.4-39.1175.5-173.30000112.1L47 I48 V49 L54 L55L47-S51 WeakPolarHBondContact O-CB 3.12Å; L47-S51 PolarHBondContact O-N 3.45Å; I48-S51 PolarHBondContact O-N 3.24Å; V49-S51 VanDerWaalsContact C-N 3.32Å; V49-S51 PolarHBondContact O-N 2.83Å; S51-L54 PolarHBondContact O-N 3.34Å; S51-L55 WeakPolarHBondContact O-CB 3.14Å; S51-L55 WeakPolarHBondContact O-CD1 3.09Å; S51-L55 WeakPolarHBondContact O-CG 3.45Å; S51-L55 PolarHBondContact O-N 3.49Å; S51-L55 WeakPolarHBondContact OG-CD1 3.21Å
52V88.9Confident78.5Confident80 Ų8091.6 Ų91.649%0.48553%0.526SS..Hα-helixtrans-66.9-38.6176.8170.30000111.1I48 V49 T50 T56I48-V52 HydrophobicContact CG2-CG2 4.38Å; I48-V52 VanDerWaalsContact O-CG2 3.28Å; I48-V52 WeakPolarHBondContact O-CG2 3.46Å; I48-V52 PolarHBondContact O-N 3.15Å; V49-V52 PolarHBondContact O-N 2.83Å; T50-V52 PolarHBondContact O-N 2.97Å; V52-T56 WeakPolarHBondContact O-CA 3.47Å; V52-T56 WeakPolarHBondContact O-CB 3.25Å; V52-T56 PolarHBondContact O-N 3.27Å; V52-T56 PolarHBondContact O-OG1 3.01Å
53I80.3Confident76.6Confident106 Ų10689.8 Ų89.854%0.54452%0.516SS..Hα-helixtrans-72.6-32.2176.6-64.2166.7000111.7V49 T50 T56V49-I53 HydrophobicContact CG1-CD1 3.75Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.28Å; V49-I53 PolarHBondContact O-N 2.84Å; T50-I53 PolarHBondContact O-N 2.78Å; I53-T56 CarbonylContact O-C 3.6Å; I53-T56 VanDerWaalsContact O-C 3.24Å
54L74.6Confident74.5Confident128 Ų12890.8 Ų90.867%0.6753%0.526SS*.Hα-helixtrans-78.7-34.9174.8-72.4175.4000112.6T50 S51 P57T50-L54 HydrophobicContact CG2-CD1 3.83Å; T50-L54 HydrophobicContact CG2-CG 4.23Å; T50-L54 WeakPolarHBondContact O-CB 3.39Å; T50-L54 VanDerWaalsContact O-CG 3.25Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.41Å; S51-L54 PolarHBondContact O-N 3.34Å; L54-P57 WeakPolarHBondContact O-CD 3.47Å
55L78.5Confident72.5Confident137 Ų13794.8 Ų94.872%0.71754%0.543SS*.Hα-helixtrans-80.8-23.8176.8-71.6170.6000112.6S51 P57S51-L55 WeakPolarHBondContact O-CB 3.14Å; S51-L55 WeakPolarHBondContact O-CD1 3.09Å; S51-L55 WeakPolarHBondContact O-CG 3.45Å; S51-L55 PolarHBondContact O-N 3.49Å; S51-L55 WeakPolarHBondContact OG-CD1 3.21Å; L55-P57 WeakPolarHBondContact O-CD 3.34Å
56T73.6Confident70.8Confident93 Ų9398.1 Ų98.157%0.57155%0.55SS**SBendtrans-109.269.5165.1-35.90000106.3V52 I53 A58V52-T56 WeakPolarHBondContact O-CA 3.47Å; V52-T56 WeakPolarHBondContact O-CB 3.25Å; V52-T56 PolarHBondContact O-N 3.27Å; V52-T56 PolarHBondContact O-OG1 3.01Å; I53-T56 CarbonylContact O-C 3.6Å; I53-T56 VanDerWaalsContact O-C 3.24Å; T56-A58 PolarHBondContact O-N 3.42Å
57P61Low69.7Low52 Ų52102.1 Ų102.134%0.33856%0.56SS.*  trans-54.6115.3173.827.9-34.4000106L54 L55 E59L54-P57 WeakPolarHBondContact O-CD 3.47Å; L55-P57 WeakPolarHBondContact O-CD 3.34Å; P57-E59 HydrophobicContact CB-CG 3.92Å; P57-E59 WeakPolarHBondContact CB-OE1 3.28Å; P57-E59 HydrophobicContact CG-CG 4.29Å; P57-E59 WeakPolarHBondContact CG-OE1 3.2Å; P57-E59 PolarHBondContact O-N 2.83Å
58A59.4Low69Low71 Ų71105.7 Ų105.759%0.58757%0.571SS**  trans-72.667.4174.600000107.3T56 D60T56-A58 PolarHBondContact O-N 3.42Å; A58-D60 PolarHBondContact O-N 3.37Å; A58-D60 VanDerWaalsContact O-N 3.11Å
59E56.4Low68.2Low127 Ų127105.7 Ų105.759%0.59358%0.575SS**THydrogen-bonded Turntrans-65.3-7.5174.7-75.1144.9176.900111P57 S62P57-E59 HydrophobicContact CB-CG 3.92Å; P57-E59 WeakPolarHBondContact CB-OE1 3.28Å; P57-E59 HydrophobicContact CG-CG 4.29Å; P57-E59 WeakPolarHBondContact CG-OE1 3.2Å; P57-E59 PolarHBondContact O-N 2.83Å; E59-S62 PolarHBondContact O-OG 2.94Å
60D51.3Low67.7Low96 Ų96104.3 Ų104.351%0.51357%0.567SS.*THydrogen-bonded Turntrans-109.6-17.8-160.5-40.9-22.2000113.6A58 S62 L63 S64A58-D60 PolarHBondContact O-N 3.37Å; A58-D60 VanDerWaalsContact O-N 3.11Å; D60-S62 PolarHBondContact O-N 3.26Å; D60-L63 WeakPolarHBondContact O-CA 3.36Å; D60-L63 WeakPolarHBondContact O-CB 3.48Å; D60-L63 PolarHBondContact O-N 2.95Å; D60-S64 PolarHBondContact O-N 3.04Å; D60-S64 VanDerWaalsContact O-N 3.14Å; D60-S64 PolarHBondContact O-OG 3.43Å
61N49.9Very low67.3Low127 Ų127105.1 Ų105.168%0.67957%0.572SS**THydrogen-bonded Turntrans-74.6-13.3177.2-87-20.6000112.9
62S52Low66.8Low66 Ų66108.5 Ų108.546%0.46258%0.582SS.*THydrogen-bonded Turntrans-80.2-26.4164.678.90000112.5E59 D60 Q65 K66E59-S62 PolarHBondContact O-OG 2.94Å; D60-S62 PolarHBondContact O-N 3.26Å; S62-Q65 PolarHBondContact O-N 2.97Å; S62-K66 PolarHBondContact O-N 2.86Å
63L53Low66.3Low87 Ų87105.2 Ų105.246%0.45556%0.561SS.*THydrogen-bonded Turntrans-75.2-29.6177.6-58.9-178.6000111.8D60 Q65 K66D60-L63 WeakPolarHBondContact O-CA 3.36Å; D60-L63 WeakPolarHBondContact O-CB 3.48Å; D60-L63 PolarHBondContact O-N 2.95Å; L63-Q65 PolarHBondContact O-N 3.45Å; L63-K66 HydrophobicContact CD2-CD 3.61Å; L63-K66 PolarHBondContact O-N 2.81Å; L63-K66 VanDerWaalsContact O-N 3.08Å
64S51.6Low66.1Low98 Ų98105.4 Ų105.469%0.68556%0.563SS**SBendtrans-64-22.9172-56.90000113.2D60D60-S64 PolarHBondContact O-N 3.04Å; D60-S64 VanDerWaalsContact O-N 3.14Å; D60-S64 PolarHBondContact O-OG 3.43Å
65Q54.2Low66.3Low176 Ų176107.7 Ų107.782%0.82257%0.568SS**SBendtrans-97.3-10171.3-75.6-174.6-4.100113.6S62 L63 K67S62-Q65 PolarHBondContact O-N 2.97Å; L63-Q65 PolarHBondContact O-N 3.45Å; Q65-K67 PolarHBondContact O-N 3.23Å
66K59Low66.2Low134 Ų134102.9 Ų102.958%0.58355%0.545SS*.SBendtrans-72.3114.7169.5-74.1-175.7-167.71690107.8S62 L63 K68S62-K66 PolarHBondContact O-N 2.86Å; L63-K66 HydrophobicContact CD2-CD 3.61Å; L63-K66 PolarHBondContact O-N 2.81Å; L63-K66 VanDerWaalsContact O-N 3.08Å; K66-K68 PolarHBondContact O-N 2.74Å; K66-K68 VanDerWaalsContact O-N 3.1Å
67K69.1Low66.2Low143 Ų143106.8 Ų106.862%0.62256%0.557SS**  trans-42.2118.6173-175.9-171.1173.7-155.30108.8Q65 V69 D73Q65-K67 PolarHBondContact O-N 3.23Å; K67-V69 PolarHBondContact O-N 3.22Å; K67-D73 IonicContact NZ-OD1 3.91Å; K67-D73 PolarHBondContact NZ-OD1 3.14Å
68K75.3Confident66.7Low188 Ų188111.3 Ų111.382%0.81758%0.579SS**  trans-58.3132.1172.1-67.1-179.5179.9179.20107.5K66 T70K66-K68 PolarHBondContact O-N 2.74Å; K66-K68 VanDerWaalsContact O-N 3.1Å; K68-T70 WeakPolarHBondContact O-CG2 3.36Å; K68-T70 PolarHBondContact O-N 3.45Å
69V77.3Confident67.3Low97 Ų97112.9 Ų112.959%0.58857%0.572SS**  trans-58.7113.5177.8-179.90000107.8K67 D73 L74K67-V69 PolarHBondContact O-N 3.22Å; V69-D73 HydrophobicContact CG1-CB 4.08Å; V69-L74 HydrophobicContact CG1-CD2 4.22Å
70T79.6Confident68.2Low54 Ų54114.6 Ų114.633%0.33158%0.578SS.*  trans-96.1169.1176.869.80000110.1K68 E72 D73 L74K68-T70 WeakPolarHBondContact O-CG2 3.36Å; K68-T70 PolarHBondContact O-N 3.45Å; T70-E72 WeakPolarHBondContact CB-OE2 3.43Å; T70-E72 PolarHBondContact O-N 3.34Å; T70-E72 PolarHBondContact OG1-OE2 3.25Å; T70-D73 WeakPolarHBondContact O-CB 3.12Å; T70-D73 PolarHBondContact O-N 3.18Å; T70-D73 VanDerWaalsContact O-N 3.08Å; T70-L74 PolarHBondContact O-N 2.96Å
71V80.2Confident69.3Low92 Ų92117.6 Ų117.656%0.55859%0.592SS**Hα-helixtrans-64.9-30.9-178.2-155.60000110.8D73 L74 F75V71-D73 VanDerWaalsContact C-N 3.28Å; V71-D73 PolarHBondContact O-N 3.11Å; V71-L74 HydrophobicContact CG1-CD1 4.46Å; V71-L74 WeakPolarHBondContact O-CB 3.41Å; V71-L74 PolarHBondContact O-N 3.38Å; V71-F75 HydrophobicContact CG1-CE2 4.32Å; V71-F75 VanDerWaalsContact O-CD2 3.26Å; V71-F75 WeakPolarHBondContact O-CD2 3.13Å
72E78.1Confident70.6Confident127 Ų127114.9 Ų114.959%0.59358%0.575SS**Hα-helixtrans-68-30.6176.3-55.670.8-14800111.6T70 L74 F75 S76T70-E72 WeakPolarHBondContact CB-OE2 3.43Å; T70-E72 PolarHBondContact O-N 3.34Å; T70-E72 PolarHBondContact OG1-OE2 3.25Å; E72-L74 VanDerWaalsContact C-N 3.3Å; E72-L74 PolarHBondContact O-N 3.31Å; E72-F75 PolarHBondContact O-N 3.4Å; E72-S76 PolarHBondContact O-N 3.31Å; E72-S76 VanDerWaalsContact O-N 3.09Å; E72-S76 PolarHBondContact O-OG 3.36Å
73D77.1Confident71.9Confident11 Ų11116.8 Ų116.86%0.05958%0.58CS.*Hα-helixtrans-64-37.3175.6-134.439.2000110.6K67 V69 T70 V71 F75 S76 F79K67-D73 IonicContact NZ-OD1 3.91Å; K67-D73 PolarHBondContact NZ-OD1 3.14Å; V69-D73 HydrophobicContact CG1-CB 4.08Å; T70-D73 WeakPolarHBondContact O-CB 3.12Å; T70-D73 PolarHBondContact O-N 3.18Å; T70-D73 VanDerWaalsContact O-N 3.08Å; V71-D73 VanDerWaalsContact C-N 3.28Å; V71-D73 PolarHBondContact O-N 3.11Å; D73-F75 PolarHBondContact O-N 3.08Å; D73-S76 WeakPolarHBondContact O-CB 3.05Å; D73-S76 PolarHBondContact O-N 2.97Å; D73-S76 VanDerWaalsContact O-N 3.08Å; D73-F79 HydrophobicContact CB-CD2 4.23Å; D73-F79 HydrophobicContact CB-CE2 4.11Å; D73-F79 WeakPolarHBondContact O-CB 3.49Å; D73-F79 WeakPolarHBondContact O-CD2 3.19Å; D73-F79 WeakPolarHBondContact O-CG 3.35Å; D73-F79 WeakPolarHBondContact OD1-CE2 2.97Å; D73-F79 WeakPolarHBondContact OD2-CE2 3.42Å; D73-F79 WeakPolarHBondContact OD2-CZ 3.33Å
74L77.8Confident72.9Confident109 Ų109115.1 Ų115.157%0.57158%0.575SS**Hα-helixtrans-64.2-26.3178.2-60.6176.2000113.5V69 T70 V71 E72V69-L74 HydrophobicContact CG1-CD2 4.22Å; T70-L74 PolarHBondContact O-N 2.96Å; V71-L74 HydrophobicContact CG1-CD1 4.46Å; V71-L74 WeakPolarHBondContact O-CB 3.41Å; V71-L74 PolarHBondContact O-N 3.38Å; E72-L74 VanDerWaalsContact C-N 3.3Å; E72-L74 PolarHBondContact O-N 3.31Å
75F78.3Confident74.3Confident177 Ų177115.3 Ų115.378%0.77657%0.565SS**THydrogen-bonded Turntrans-101.1-1.9176.8-61-73.1000112.9V71 E72 D73V71-F75 HydrophobicContact CG1-CE2 4.32Å; V71-F75 VanDerWaalsContact O-CD2 3.26Å; V71-F75 WeakPolarHBondContact O-CD2 3.13Å; E72-F75 PolarHBondContact O-N 3.4Å; D73-F75 PolarHBondContact O-N 3.08Å
76S76.3Confident75.8Confident36 Ų36109.9 Ų109.925%0.25255%0.55SS.*SBendtrans-69.9147.4177-64.60000110.1E72 D73 D78 F79 K80E72-S76 PolarHBondContact O-N 3.31Å; E72-S76 VanDerWaalsContact O-N 3.09Å; E72-S76 PolarHBondContact O-OG 3.36Å; D73-S76 WeakPolarHBondContact O-CB 3.05Å; D73-S76 PolarHBondContact O-N 2.97Å; D73-S76 VanDerWaalsContact O-N 3.08Å; S76-D78 PolarHBondContact O-N 3.3Å; S76-D78 VanDerWaalsContact O-N 3.14Å; S76-F79 PolarHBondContact O-N 3.09Å; S76-F79 VanDerWaalsContact O-N 3.16Å; S76-K80 PolarHBondContact O-N 3.1Å
77E72.8Confident77.1Confident175 Ų175109 Ų10982%0.81855%0.546SS*.G310 helixtrans-58.4-27.6178.6-68.1-168.7142.800112.1F79 K80E77-F79 VanDerWaalsContact C-N 3.35Å; E77-F79 PolarHBondContact O-N 3.37Å; E77-K80 WeakPolarHBondContact O-CB 3.26Å; E77-K80 PolarHBondContact O-N 3.08Å
78D71.6Confident78Confident147 Ų147109.6 Ų109.679%0.78655%0.545SS*.G310 helixtrans-65.4-32.4179.3-59.1-34.6000113.7S76S76-D78 PolarHBondContact O-N 3.3Å; S76-D78 VanDerWaalsContact O-N 3.14Å
79F71.9Confident78.4Confident104 Ų104103.2 Ų103.246%0.45652%0.519SS..G310 helixtrans-100.2-1.7179.1-71.1-88.3000113.1D73 S76 E77 I81D73-F79 HydrophobicContact CB-CD2 4.23Å; D73-F79 HydrophobicContact CB-CE2 4.11Å; D73-F79 WeakPolarHBondContact O-CB 3.49Å; D73-F79 WeakPolarHBondContact O-CD2 3.19Å; D73-F79 WeakPolarHBondContact O-CG 3.35Å; D73-F79 WeakPolarHBondContact OD1-CE2 2.97Å; D73-F79 WeakPolarHBondContact OD2-CE2 3.42Å; D73-F79 WeakPolarHBondContact OD2-CZ 3.33Å; S76-F79 PolarHBondContact O-N 3.09Å; S76-F79 VanDerWaalsContact O-N 3.16Å; E77-F79 VanDerWaalsContact C-N 3.35Å; E77-F79 PolarHBondContact O-N 3.37Å; F79-I81 PolarHBondContact O-N 3.3Å; F79-I81 VanDerWaalsContact O-N 3.07Å
80K75.1Confident78.8Confident162 Ų162101.2 Ų101.270%0.70451%0.509SS*.SBendtrans-71.6107.6174.4-168.8176.7-178.8-179.60108.3S76 E77 H82S76-K80 PolarHBondContact O-N 3.1Å; E77-K80 WeakPolarHBondContact O-CB 3.26Å; E77-K80 PolarHBondContact O-N 3.08Å; K80-H82 PolarHBondContact O-N 3.5Å
81I76Confident79.2Confident160 Ų160106.3 Ų106.382%0.82154%0.535SS*.  trans-55.8114.5175.8-59.6173000107.9F79 D83F79-I81 PolarHBondContact O-N 3.3Å; F79-I81 VanDerWaalsContact O-N 3.07Å; I81-D83 PolarHBondContact O-N 3.15Å
82H77.1Confident79.6Confident69 Ų69104.4 Ų104.432%0.31952%0.523SS..  trans-79.7110.2173.2-179.3-88.6000107.9K80 P84 R97 E98 Q99K80-H82 PolarHBondContact O-N 3.5Å; H82-P84 VanDerWaalsContact O-CD 3.29Å; H82-P84 WeakPolarHBondContact O-CD 3.21Å; H82-R97 PolarHBondContact CE1-O 3.09Å; H82-E98 PolarHBondContact NE2-O 3.04Å; H82-Q99 HydrophobicContact CB-CG 4.36Å; H82-Q99 VanDerWaalsContact CD2-CA 3.48Å; H82-Q99 WeakPolarHBondContact CD2-CA 3.39Å; H82-Q99 VanDerWaalsContact NE2-CA 3.34Å; H82-Q99 WeakPolarHBondContact NE2-CA 3.34Å; H82-Q99 PolarHBondContact NE2-N 3.36Å
83D77.8Confident80.2Confident106 Ų10699.8 Ų99.857%0.56750%0.502SS*.  trans-91.4109.3168.7-168.2-15.8000108.1I81 E85I81-D83 PolarHBondContact O-N 3.15Å; D83-E85 PolarHBondContact O-N 3.14Å; D83-E85 VanDerWaalsContact O-N 3.16Å; D83-E85 PolarHBondContact OD1-N 2.86Å
84P75.6Confident80.9Confident53 Ų53101.4 Ų101.434%0.34451%0.508SS..  trans-69.4-3.5179.226.3-32.6000113.5H82 A86 R97H82-P84 VanDerWaalsContact O-CD 3.29Å; H82-P84 WeakPolarHBondContact O-CD 3.21Å; P84-A86 PolarHBondContact O-N 3.19Å; P84-R97 PolarHBondContact O-N 2.77Å
85E80.2Confident81.5Confident101 Ų10196.7 Ų96.747%0.47248%0.484SS..  trans44.643.8177.8-67.7-176.8158.100112.2D83 K87 Y130D83-E85 PolarHBondContact O-N 3.14Å; D83-E85 VanDerWaalsContact O-N 3.16Å; D83-E85 PolarHBondContact OD1-N 2.86Å; E85-K87 PolarHBondContact O-N 3.21Å; E85-Y130 WeakPolarHBondContact OE2-CE1 3.23Å
86A85.8Confident82.1Confident63 Ų6390.8 Ų90.852%0.52146%0.457SS..  trans-66.9125.6-171.600000111.1P84 I95P84-A86 PolarHBondContact O-N 3.19Å; A86-I95 CarbonylContact C-O 3.57Å; A86-I95 VanDerWaalsContact CA-O 3.23Å; A86-I95 WeakPolarHBondContact CA-O 3.29Å
87K85.5Confident82.6Confident114 Ų11492.9 Ų92.950%0.49646%0.459SS..EExtended strand (participates in β ladder)trans-128123.4-177.5-174.5-178.9178.6-175.40110.6E85 F94 I95 E131E85-K87 PolarHBondContact O-N 3.21Å; K87-F94 CarbonylContact O-C 3.49Å; K87-F94 WeakPolarHBondContact O-CA 3.49Å; K87-I95 PolarHBondContact N-O 3.36Å; K87-I95 PolarHBondContact O-N 2.87Å; K87-E131 IonicContact NZ-OE1 2.87Å
88W88.5Confident83.3Confident156 Ų15687.3 Ų87.359%0.59143%0.433SS*.EExtended strand (participates in β ladder)trans-70.1131.6171.1-64.893000110.4F94 V108W88-F94 HydrophobicContact CD2-CB 3.86Å; W88-F94 HydrophobicContact CE3-CB 3.77Å; W88-F94 HydrophobicContact CE3-CD1 4.3Å; W88-F94 HydrophobicContact CG-CB 4.3Å; W88-F94 AromaticContact CH2-CD1 3.79Å; W88-F94 HydrophobicContact CH2-CD1 3.79Å; W88-F94 HydrophobicContact CH2-CE1 4.45Å; W88-F94 HydrophobicContact CZ2-CD1 4.24Å; W88-F94 HydrophobicContact CZ3-CB 4.18Å; W88-F94 AromaticContact CZ3-CD1 3.83Å; W88-F94 HydrophobicContact CZ3-CD1 3.83Å; W88-F94 HydrophobicContact CZ3-CG 4.47Å; W88-V108 HydrophobicContact CH2-CG2 4.2Å; W88-V108 HydrophobicContact CZ3-CG2 4.23Å
89I84.7Confident83.8Confident55 Ų5588 Ų8828%0.28243%0.432SS..SBendtrans-98.7-40.6168.7-50.8179.8000109.7E93 I95 L105 R136I89-E93 PolarHBondContact N-O 3.24Å; I89-I95 HydrophobicContact CD1-CD1 3.21Å; I89-I95 HydrophobicContact CD1-CG1 3.58Å; I89-I95 HydrophobicContact CG1-CD1 3.61Å; I89-I95 HydrophobicContact CG1-CG1 3.94Å; I89-L105 HydrophobicContact CD1-CD1 3.71Å; I89-R136 HydrophobicContact CD1-CG 4.17Å
90S84.6Confident84.1Confident54 Ų5491.3 Ų91.338%0.37845%0.445SS..SBendtrans-138.8171.9-175.7-56.70000109.1T92 E93S90-T92 PolarHBondContact O-N 3.49Å; S90-E93 PolarHBondContact N-O 3.29Å; S90-E93 PolarHBondContact O-N 3.07Å; S90-E93 VanDerWaalsContact O-O 3.11Å
91D88.4Confident84.5Confident162 Ų16284 Ų8487%0.86642%0.416SS*.SBendtrans-64.6-22.9180-57.5-33.2000113.2
92T88.8Confident85.1Confident52 Ų5277.2 Ų77.232%0.31938%0.382SS..SBendtrans-110.6-10.8-177.855.90000113.7S90 V108 E109S90-T92 PolarHBondContact O-N 3.49Å; T92-V108 PolarHBondContact O-N 3.4Å; T92-E109 HydrophobicContact CG2-CB 4.47Å
93E90.8Very high85.7Confident29 Ų2974 Ų7414%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-130.8131.1-172.1-62.8-174.3165.700112.3I89 S90 L105 W106 N107 R136I89-E93 PolarHBondContact N-O 3.24Å; S90-E93 PolarHBondContact N-O 3.29Å; S90-E93 PolarHBondContact O-N 3.07Å; S90-E93 VanDerWaalsContact O-O 3.11Å; E93-L105 HydrophobicContact CB-CD1 4.05Å; E93-W106 VanDerWaalsContact CA-O 3.28Å; E93-W106 WeakPolarHBondContact CA-O 3.44Å; E93-N107 HydrophobicContact CG-CB 4.04Å; E93-N107 WeakPolarHBondContact CG-ND2 3.48Å; E93-N107 PolarHBondContact OE1-ND2 3.16Å; E93-R136 IonicContact OE1-NH1 3.8Å; E93-R136 IonicContact OE2-NH1 2.8Å; E93-R136 PolarHBondContact OE2-NH1 3.28Å
94F90.9Very high86.4Confident46 Ų4671.8 Ų71.820%0.20235%0.351CS..EExtended strand (participates in β ladder)trans-131.5148.9173.369-94.1000111.7K87 W88 Y96 W106 V108K87-F94 CarbonylContact O-C 3.49Å; K87-F94 WeakPolarHBondContact O-CA 3.49Å; W88-F94 HydrophobicContact CD2-CB 3.86Å; W88-F94 HydrophobicContact CE3-CB 3.77Å; W88-F94 HydrophobicContact CE3-CD1 4.3Å; W88-F94 HydrophobicContact CG-CB 4.3Å; W88-F94 AromaticContact CH2-CD1 3.79Å; W88-F94 HydrophobicContact CH2-CD1 3.79Å; W88-F94 HydrophobicContact CH2-CE1 4.45Å; W88-F94 HydrophobicContact CZ2-CD1 4.24Å; W88-F94 HydrophobicContact CZ3-CB 4.18Å; W88-F94 AromaticContact CZ3-CD1 3.83Å; W88-F94 HydrophobicContact CZ3-CD1 3.83Å; W88-F94 HydrophobicContact CZ3-CG 4.47Å; F94-Y96 HydrophobicContact CD2-CD1 4.13Å; F94-Y96 AromaticContact CE2-CD1 3.65Å; F94-Y96 HydrophobicContact CE2-CD1 3.65Å; F94-Y96 HydrophobicContact CE2-CE1 4.43Å; F94-Y96 HydrophobicContact CE2-CG 4.11Å; F94-W106 HydrophobicContact CD1-CB 4.25Å; F94-W106 HydrophobicContact CD2-CB 4.27Å; F94-W106 HydrophobicContact CE1-CB 3.84Å; F94-W106 AromaticContact CE1-CD1 3.34Å; F94-W106 AromaticContact CE1-CG 3.81Å; F94-W106 HydrophobicContact CE1-CG 3.81Å; F94-W106 HydrophobicContact CE2-CB 3.83Å; F94-W106 HydrophobicContact CE2-CG 4.36Å; F94-W106 HydrophobicContact CG-CB 4.46Å; F94-W106 HydrophobicContact CZ-CB 3.6Å; F94-W106 AromaticContact CZ-CD1 3.6Å; F94-W106 AromaticContact CZ-CG 3.66Å; F94-W106 HydrophobicContact CZ-CG 3.66Å; F94-W106 PolarHBondContact N-O 3.48Å; F94-W106 PolarHBondContact O-N 3.08Å; F94-V108 HydrophobicContact CD1-CG2 3.82Å; F94-V108 HydrophobicContact CE1-CG2 3.65Å
95I90.6Very high87.1Confident10 Ų1069.7 Ų69.75%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-94141.8171.7-65.4162.7000108.4A86 K87 I89 V103 R104 L105 L116 I132A86-I95 CarbonylContact C-O 3.57Å; A86-I95 VanDerWaalsContact CA-O 3.23Å; A86-I95 WeakPolarHBondContact CA-O 3.29Å; K87-I95 PolarHBondContact N-O 3.36Å; K87-I95 PolarHBondContact O-N 2.87Å; I89-I95 HydrophobicContact CD1-CD1 3.21Å; I89-I95 HydrophobicContact CD1-CG1 3.58Å; I89-I95 HydrophobicContact CG1-CD1 3.61Å; I89-I95 HydrophobicContact CG1-CG1 3.94Å; I95-V103 HydrophobicContact CG2-CG1 3.28Å; I95-R104 CarbonylContact C-O 3.57Å; I95-R104 VanDerWaalsContact CA-O 3.31Å; I95-R104 WeakPolarHBondContact CA-O 3.28Å; I95-L105 HydrophobicContact CG1-CD1 3.79Å; I95-L116 HydrophobicContact CD1-CD1 4.01Å; I95-L116 HydrophobicContact CG1-CD1 3.91Å; I95-I132 HydrophobicContact CD1-CB 3.98Å; I95-I132 HydrophobicContact CD1-CD1 3.69Å; I95-I132 HydrophobicContact CD1-CG1 4.45Å; I95-I132 HydrophobicContact CD1-CG2 3.95Å; I95-I132 HydrophobicContact CG1-CD1 4.46Å; I95-I132 HydrophobicContact CG2-CD1 3.93Å
96Y90.5Very high87.7Confident53 Ų5368.4 Ų68.421%0.20833%0.328CS..EExtended strand (participates in β ladder)trans-143.8155.7169.871.1-75.8000110.7F94 R104 W106F94-Y96 HydrophobicContact CD2-CD1 4.13Å; F94-Y96 AromaticContact CE2-CD1 3.65Å; F94-Y96 HydrophobicContact CE2-CD1 3.65Å; F94-Y96 HydrophobicContact CE2-CE1 4.43Å; F94-Y96 HydrophobicContact CE2-CG 4.11Å; Y96-R104 HydrophobicContact CD1-CB 4.3Å; Y96-R104 HydrophobicContact CE1-CB 3.65Å; Y96-R104 PolarHBondContact N-O 3.35Å; Y96-R104 PolarHBondContact O-N 3.47Å; Y96-R104 WeakPolarHBondContact OH-CD 3.48Å; Y96-W106 HydrophobicContact CD1-CB 4.19Å; Y96-W106 HydrophobicContact CE1-CB 3.91Å; Y96-W106 HydrophobicContact CE1-CE3 4.42Å
97R88.2Confident88.1Confident80 Ų8066.4 Ų66.430%0.30231%0.308SS..EExtended strand (participates in β ladder)trans-93.9135.4172.6-167.7176.1-178.5-164-2.6109.8H82 P84 V103H82-R97 PolarHBondContact CE1-O 3.09Å; P84-R97 PolarHBondContact O-N 2.77Å; R97-V103 HydrophobicContact CG-CG2 4.37Å
98E87Confident88.4Confident57 Ų5764.1 Ų64.127%0.26630%0.304SS..  trans-85.8162.3174.7-166.9173.3-178.600110.7H82 K100 G101 T102 R104H82-E98 PolarHBondContact NE2-O 3.04Å; E98-K100 PolarHBondContact O-N 3.38Å; E98-G101 WeakPolarHBondContact O-CA 3.31Å; E98-G101 PolarHBondContact O-N 2.88Å; E98-T102 WeakPolarHBondContact CB-O 3.48Å; E98-T102 PolarHBondContact N-O 2.71Å; E98-R104 IonicContact OE2-CZ 3.8Å; E98-R104 IonicContact OE2-NE 2.98Å; E98-R104 PolarHBondContact OE2-NE 3.38Å; E98-R104 IonicContact OE2-NH2 3.7Å
99Q81.6Confident88.6Confident163 Ų16363.9 Ų63.976%0.76231%0.309SS*.THydrogen-bonded Turntrans-57.4-35.5176.3-69.1-177.3-9.300112.9H82 G101H82-Q99 HydrophobicContact CB-CG 4.36Å; H82-Q99 VanDerWaalsContact CD2-CA 3.48Å; H82-Q99 WeakPolarHBondContact CD2-CA 3.39Å; H82-Q99 VanDerWaalsContact NE2-CA 3.34Å; H82-Q99 WeakPolarHBondContact NE2-CA 3.34Å; H82-Q99 PolarHBondContact NE2-N 3.36Å; Q99-G101 PolarHBondContact O-N 2.84Å; Q99-G101 VanDerWaalsContact O-N 3.11Å
100K79.4Confident89Confident172 Ų17265 Ų6575%0.74832%0.319SS*.THydrogen-bonded Turntrans-73.64.6175.7-60.6179.3-178.8175.20113.7E98 T102E98-K100 PolarHBondContact O-N 3.38Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 PolarHBondContact O-N 3.31Å
101G82.4Confident89.4Confident9 Ų967.7 Ų67.79%0.09333%0.329CS..SBendtrans82.7-6.7179.500000115E98 Q99 I122E98-G101 WeakPolarHBondContact O-CA 3.31Å; E98-G101 PolarHBondContact O-N 2.88Å; Q99-G101 PolarHBondContact O-N 2.84Å; Q99-G101 VanDerWaalsContact O-N 3.11Å; G101-I122 WeakPolarHBondContact O-CD1 3.48Å
102T89.4Confident89.5Confident18 Ų1863.7 Ų63.711%0.1131%0.311CS..  trans-67.9136.6176.6-60.70000111.2E98 K100 R104 V115 I117 G119E98-T102 WeakPolarHBondContact CB-O 3.48Å; E98-T102 PolarHBondContact N-O 2.71Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 PolarHBondContact O-N 3.31Å; T102-R104 HydrophobicContact CG2-CG 4.15Å; T102-V115 HydrophobicContact CG2-CG1 3.8Å; T102-I117 WeakPolarHBondContact CG2-O 3.44Å; T102-G119 PolarHBondContact OG1-N 3.06Å; T102-G119 VanDerWaalsContact OG1-N 3.17Å
103V90.1Very high89.6Confident0 Ų063.6 Ų63.60%031%0.312CS..EExtended strand (participates in β ladder)trans-101124.4176.4-176.20000109.4I95 R97 L116 I117 I122 Y130 I132I95-V103 HydrophobicContact CG2-CG1 3.28Å; R97-V103 HydrophobicContact CG-CG2 4.37Å; V103-L116 PolarHBondContact O-N 3.03Å; V103-I117 HydrophobicContact CB-CB 4.02Å; V103-I117 HydrophobicContact CB-CD1 4.39Å; V103-I117 HydrophobicContact CB-CG1 4.46Å; V103-I117 HydrophobicContact CG2-CB 4.31Å; V103-I117 HydrophobicContact CG2-CD1 4.43Å; V103-I117 PolarHBondContact N-O 3.19Å; V103-I117 PolarHBondContact O-N 3.16Å; V103-I117 VanDerWaalsContact O-N 3.16Å; V103-I122 HydrophobicContact CG2-CD1 3.77Å; V103-Y130 HydrophobicContact CB-CE2 4.46Å; V103-Y130 HydrophobicContact CG1-CE2 3.87Å; V103-Y130 HydrophobicContact CG2-CD2 4.26Å; V103-Y130 HydrophobicContact CG2-CE1 4.29Å; V103-Y130 HydrophobicContact CG2-CE2 3.74Å; V103-I132 HydrophobicContact CG1-CD1 3.71Å
104R91Very high89.5Confident61 Ų6165.6 Ų65.623%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-121.9146-176.4-68.8177.3178.9-88-4110.7I95 Y96 E98 T102 T114 V115I95-R104 CarbonylContact C-O 3.57Å; I95-R104 VanDerWaalsContact CA-O 3.31Å; I95-R104 WeakPolarHBondContact CA-O 3.28Å; Y96-R104 HydrophobicContact CD1-CB 4.3Å; Y96-R104 HydrophobicContact CE1-CB 3.65Å; Y96-R104 PolarHBondContact N-O 3.35Å; Y96-R104 PolarHBondContact O-N 3.47Å; Y96-R104 WeakPolarHBondContact OH-CD 3.48Å; E98-R104 IonicContact OE2-CZ 3.8Å; E98-R104 IonicContact OE2-NE 2.98Å; E98-R104 PolarHBondContact OE2-NE 3.38Å; E98-R104 IonicContact OE2-NH2 3.7Å; T102-R104 HydrophobicContact CG2-CG 4.15Å; R104-T114 WeakPolarHBondContact CA-O 3.46Å; R104-V115 HydrophobicContact CG-CG2 4.35Å
105L91.1Very high89.5Confident9 Ų967.1 Ų67.15%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-95.4125.7166.4-178.869.3000107.9I89 E93 I95 S113 T114 L116I89-L105 HydrophobicContact CD1-CD1 3.71Å; E93-L105 HydrophobicContact CB-CD1 4.05Å; I95-L105 HydrophobicContact CG1-CD1 3.79Å; L105-S113 CarbonylContact O-C 3.24Å; L105-S113 VanDerWaalsContact O-CA 3.26Å; L105-S113 WeakPolarHBondContact O-CA 3.24Å; L105-T114 WeakPolarHBondContact CB-OG1 3.18Å; L105-T114 PolarHBondContact N-O 2.97Å; L105-T114 PolarHBondContact O-N 3.32Å; L105-L116 HydrophobicContact CB-CD1 3.92Å; L105-L116 HydrophobicContact CB-CD2 4.37Å; L105-L116 HydrophobicContact CB-CG 3.99Å
106W92.7Very high89.3Confident73 Ų7368.1 Ų68.128%0.27734%0.344SS..EExtended strand (participates in β ladder)trans-107.2126.4174.9-172.3-91.2000109.5E93 F94 Y96 N111E93-W106 VanDerWaalsContact CA-O 3.28Å; E93-W106 WeakPolarHBondContact CA-O 3.44Å; F94-W106 HydrophobicContact CD1-CB 4.25Å; F94-W106 HydrophobicContact CD2-CB 4.27Å; F94-W106 HydrophobicContact CE1-CB 3.84Å; F94-W106 AromaticContact CE1-CD1 3.34Å; F94-W106 AromaticContact CE1-CG 3.81Å; F94-W106 HydrophobicContact CE1-CG 3.81Å; F94-W106 HydrophobicContact CE2-CB 3.83Å; F94-W106 HydrophobicContact CE2-CG 4.36Å; F94-W106 HydrophobicContact CG-CB 4.46Å; F94-W106 HydrophobicContact CZ-CB 3.6Å; F94-W106 AromaticContact CZ-CD1 3.6Å; F94-W106 AromaticContact CZ-CG 3.66Å; F94-W106 HydrophobicContact CZ-CG 3.66Å; F94-W106 PolarHBondContact N-O 3.48Å; F94-W106 PolarHBondContact O-N 3.08Å; Y96-W106 HydrophobicContact CD1-CB 4.19Å; Y96-W106 HydrophobicContact CE1-CB 3.91Å; Y96-W106 HydrophobicContact CE1-CE3 4.42Å; W106-N111 HydrophobicContact CZ2-CB 4.33Å
107N93.3Very high89.2Confident21 Ų2165.6 Ų65.611%0.11234%0.335CS..EExtended strand (participates in β ladder)trans-98.7118.4167.9-171.9-48.8000108.9E93 E109 T110 N111 T112E93-N107 HydrophobicContact CG-CB 4.04Å; E93-N107 WeakPolarHBondContact CG-ND2 3.48Å; E93-N107 PolarHBondContact OE1-ND2 3.16Å; N107-E109 PolarHBondContact OD1-N 3.22Å; N107-T110 WeakPolarHBondContact CB-OG1 3.28Å; N107-T110 PolarHBondContact OD1-N 3.3Å; N107-T110 VanDerWaalsContact OD1-N 3.14Å; N107-T110 PolarHBondContact OD1-OG1 3.14Å; N107-N111 VanDerWaalsContact O-CA 3.24Å; N107-N111 WeakPolarHBondContact O-CA 3.26Å; N107-N111 PolarHBondContact O-N 3.03Å; N107-T112 PolarHBondContact N-O 3.32Å; N107-T112 PolarHBondContact O-N 3.43Å
108V92.9Very high89.1Confident66 Ų6664.7 Ų64.740%0.433%0.334SS..THydrogen-bonded Turntrans-73.4-31.4-175.2-178.50000111.7W88 T92 F94W88-V108 HydrophobicContact CH2-CG2 4.2Å; W88-V108 HydrophobicContact CZ3-CG2 4.23Å; T92-V108 PolarHBondContact O-N 3.4Å; F94-V108 HydrophobicContact CD1-CG2 3.82Å; F94-V108 HydrophobicContact CE1-CG2 3.65Å
109E92.5Very high88.9Confident151 Ų15162.3 Ų62.371%0.70633%0.325SS*.THydrogen-bonded Turntrans-76.3-44.8-176.5-173.7172.9-158.800111.3T92 N107T92-E109 HydrophobicContact CG2-CB 4.47Å; N107-E109 PolarHBondContact OD1-N 3.22Å
110T92.1Very high89.1Confident78 Ų7861.5 Ų61.548%0.47932%0.319SS..THydrogen-bonded Turntrans-91.9-8.3-178.858.50000113.5N107 T112N107-T110 WeakPolarHBondContact CB-OG1 3.28Å; N107-T110 PolarHBondContact OD1-N 3.3Å; N107-T110 VanDerWaalsContact OD1-N 3.14Å; N107-T110 PolarHBondContact OD1-OG1 3.14Å; T110-T112 PolarHBondContact O-N 3.15Å; T110-T112 PolarHBondContact OG1-OG1 3.21Å
111N92.8Very high88.9Confident112 Ų11254.8 Ų54.860%0.59929%0.289SS*.THydrogen-bonded Turntrans53.228.4-170.9-68.8-58.2000113.7W106 N107W106-N111 HydrophobicContact CZ2-CB 4.33Å; N107-N111 VanDerWaalsContact O-CA 3.24Å; N107-N111 WeakPolarHBondContact O-CA 3.26Å; N107-N111 PolarHBondContact O-N 3.03Å
112T91.6Very high88.9Confident78 Ų7854.8 Ų54.848%0.47929%0.287SS..EExtended strand (participates in β ladder)trans-100.7132.8178.856.10000111N107 T110N107-T112 PolarHBondContact N-O 3.32Å; N107-T112 PolarHBondContact O-N 3.43Å; T110-T112 PolarHBondContact O-N 3.15Å; T110-T112 PolarHBondContact OG1-OG1 3.21Å
113S90.8Very high88.6Confident50 Ų5061.3 Ų61.335%0.3532%0.316SS..EExtended strand (participates in β ladder)trans-105.9133172.781.60000111.4L105L105-S113 CarbonylContact O-C 3.24Å; L105-S113 VanDerWaalsContact O-CA 3.26Å; L105-S113 WeakPolarHBondContact O-CA 3.24Å
114T89.4Confident88Confident71 Ų7165.6 Ų65.644%0.43635%0.346SS..EExtended strand (participates in β ladder)trans-116.2137172.660.10000110.8R104 L105 L116R104-T114 WeakPolarHBondContact CA-O 3.46Å; L105-T114 WeakPolarHBondContact CB-OG1 3.18Å; L105-T114 PolarHBondContact N-O 2.97Å; L105-T114 PolarHBondContact O-N 3.32Å; T114-L116 PolarHBondContact O-N 3.4Å
115V89.6Confident87.2Confident77 Ų7766 Ų6647%0.46735%0.353SS..EExtended strand (participates in β ladder)trans-80121.2177.8-179.40000109.4T102 R104T102-V115 HydrophobicContact CG2-CG1 3.8Å; R104-V115 HydrophobicContact CG-CG2 4.35Å
116L86.9Confident86.6Confident31 Ų3175.6 Ų75.616%0.16239%0.388CS..EExtended strand (participates in β ladder)trans-94-49.3175.9-64.7-179.2000111.2I95 V103 L105 T114 I132I95-L116 HydrophobicContact CD1-CD1 4.01Å; I95-L116 HydrophobicContact CG1-CD1 3.91Å; V103-L116 PolarHBondContact O-N 3.03Å; L105-L116 HydrophobicContact CB-CD1 3.92Å; L105-L116 HydrophobicContact CB-CD2 4.37Å; L105-L116 HydrophobicContact CB-CG 3.99Å; T114-L116 PolarHBondContact O-N 3.4Å; L116-I132 HydrophobicContact CD1-CD1 3.95Å; L116-I132 HydrophobicContact CD1-CG2 4.4Å
117I87.6Confident85.8Confident1 Ų172.9 Ų72.91%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-132.8126.2-177.5-51.9165.9000108.5T102 V103 K121 I122 Y130 I132 A139 F141 L192T102-I117 WeakPolarHBondContact CG2-O 3.44Å; V103-I117 HydrophobicContact CB-CB 4.02Å; V103-I117 HydrophobicContact CB-CD1 4.39Å; V103-I117 HydrophobicContact CB-CG1 4.46Å; V103-I117 HydrophobicContact CG2-CB 4.31Å; V103-I117 HydrophobicContact CG2-CD1 4.43Å; V103-I117 PolarHBondContact N-O 3.19Å; V103-I117 PolarHBondContact O-N 3.16Å; V103-I117 VanDerWaalsContact O-N 3.16Å; I117-K121 HydrophobicContact CG2-CB 4.5Å; I117-I122 HydrophobicContact CG2-CD1 3.92Å; I117-I122 HydrophobicContact CG2-CG1 3.74Å; I117-Y130 HydrophobicContact CD1-CD2 4.25Å; I117-I132 HydrophobicContact CD1-CD1 4Å; I117-I132 HydrophobicContact CD1-CG1 4.01Å; I117-A139 HydrophobicContact CD1-CB 3.8Å; I117-A139 HydrophobicContact CG1-CB 4.38Å; I117-F141 HydrophobicContact CD1-CE1 4.07Å; I117-F141 HydrophobicContact CD1-CZ 3.77Å; I117-F141 HydrophobicContact CG1-CZ 4.28Å; I117-F141 HydrophobicContact CG2-CE1 4.13Å; I117-F141 HydrophobicContact CG2-CZ 3.82Å; I117-L192 HydrophobicContact CG1-CD2 4.5Å
118E86.1Confident84.9Confident61 Ų6176.6 Ų76.629%0.28540%0.4SS..  trans-78.4136.1176.6-165.2173.7-177.600110.8K120 K121E118-K120 HydrophobicContact CG-CB 4.49Å; E118-K120 PolarHBondContact O-N 3.01Å; E118-K120 VanDerWaalsContact O-N 3.14Å; E118-K121 HydrophobicContact CB-CD 4.3Å; E118-K121 HydrophobicContact CB-CG 4.49Å; E118-K121 WeakPolarHBondContact O-CB 3.35Å; E118-K121 PolarHBondContact O-N 2.92Å
119G84.4Confident84.2Confident7 Ų781.9 Ų81.97%0.07241%0.413CS..Hα-helixtrans-55.3-35.4-176.500000113.7T102 K121 I122 E123T102-G119 PolarHBondContact OG1-N 3.06Å; T102-G119 VanDerWaalsContact OG1-N 3.17Å; G119-K121 PolarHBondContact O-N 2.8Å; G119-K121 VanDerWaalsContact O-N 3.16Å; G119-I122 PolarHBondContact O-N 2.77Å; G119-I122 VanDerWaalsContact O-N 3.11Å; G119-E123 PolarHBondContact O-N 3.16Å
120K84.1Confident83.6Confident146 Ų14676.5 Ų76.564%0.63539%0.387SS*.Hα-helixtrans-55.9-31.7175.6-65.5-179.7180173.70113.4E118 S124E118-K120 HydrophobicContact CG-CB 4.49Å; E118-K120 PolarHBondContact O-N 3.01Å; E118-K120 VanDerWaalsContact O-N 3.14Å; K120-S124 VanDerWaalsContact O-CB 3.3Å; K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 2.8Å; K120-S124 PolarHBondContact O-OG 2.85Å
121K76.8Confident83.2Confident30 Ų3077.8 Ų77.813%0.1339%0.387CS..Hα-helixtrans-75.2-40.1179.5-66.9171.3176.5160.50111.6I117 E118 G119 E123 S124 L125 L195I117-K121 HydrophobicContact CG2-CB 4.5Å; E118-K121 HydrophobicContact CB-CD 4.3Å; E118-K121 HydrophobicContact CB-CG 4.49Å; E118-K121 WeakPolarHBondContact O-CB 3.35Å; E118-K121 PolarHBondContact O-N 2.92Å; G119-K121 PolarHBondContact O-N 2.8Å; G119-K121 VanDerWaalsContact O-N 3.16Å; K121-E123 VanDerWaalsContact C-N 3.27Å; K121-E123 PolarHBondContact O-N 3.01Å; K121-S124 WeakPolarHBondContact CA-OG 3.04Å; K121-S124 PolarHBondContact O-N 2.77Å; K121-S124 PolarHBondContact O-OG 3.31Å; K121-S124 VanDerWaalsContact O-OG 3.12Å; K121-L125 WeakPolarHBondContact O-CB 3.05Å; K121-L125 WeakPolarHBondContact O-CD1 3.33Å; K121-L125 PolarHBondContact O-N 2.88Å; K121-L195 HydrophobicContact CD-CB 4.18Å; K121-L195 HydrophobicContact CD-CD2 4.34Å; K121-L195 WeakPolarHBondContact CE-O 3.46Å; K121-L195 VanDerWaalsContact NZ-C 3.3Å; K121-L195 PolarHBondContact NZ-O 2.72Å
122I82.1Confident82.7Confident10 Ų1073.4 Ų73.45%0.05136%0.363CS..Hα-helixtrans-65.2-40177.4-61.5-178.8000109.7G101 V103 I117 G119 R126 A127 F141G101-I122 WeakPolarHBondContact O-CD1 3.48Å; V103-I122 HydrophobicContact CG2-CD1 3.77Å; I117-I122 HydrophobicContact CG2-CD1 3.92Å; I117-I122 HydrophobicContact CG2-CG1 3.74Å; G119-I122 PolarHBondContact O-N 2.77Å; G119-I122 VanDerWaalsContact O-N 3.11Å; I122-R126 PolarHBondContact O-N 2.93Å; I122-R126 VanDerWaalsContact O-N 3.16Å; I122-A127 HydrophobicContact CG2-CB 4.33Å; I122-A127 PolarHBondContact O-N 2.95Å; I122-A127 VanDerWaalsContact O-N 3.09Å; I122-F141 HydrophobicContact CG1-CE1 4Å
123E83.6Confident82Confident154 Ų15471.2 Ų71.272%0.7235%0.351SS*.Hα-helixtrans-67.7-46.2176.4-171.7173.8-159.500112.3G119 K121 L125 R126G119-E123 PolarHBondContact O-N 3.16Å; K121-E123 VanDerWaalsContact C-N 3.27Å; K121-E123 PolarHBondContact O-N 3.01Å; E123-L125 PolarHBondContact O-N 3.11Å; E123-R126 PolarHBondContact O-N 3.27Å
124S75.8Confident81.4Confident90 Ų9074.2 Ų74.263%0.62937%0.369SS*.Hα-helixtrans-65.7-36.7-179.467.80000113.1K120 K121 R126K120-S124 VanDerWaalsContact O-CB 3.3Å; K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 2.8Å; K120-S124 PolarHBondContact O-OG 2.85Å; K121-S124 WeakPolarHBondContact CA-OG 3.04Å; K121-S124 PolarHBondContact O-N 2.77Å; K121-S124 PolarHBondContact O-OG 3.31Å; K121-S124 VanDerWaalsContact O-OG 3.12Å; S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.41Å
125L75.5Confident80.7Confident71 Ų7174.6 Ų74.637%0.37237%0.369SS..THydrogen-bonded Turntrans-79.6-6.2173.8-79.992.1000113.4K121 E123 A127K121-L125 WeakPolarHBondContact O-CB 3.05Å; K121-L125 WeakPolarHBondContact O-CD1 3.33Å; K121-L125 PolarHBondContact O-N 2.88Å; E123-L125 PolarHBondContact O-N 3.11Å; L125-A127 HydrophobicContact CB-CB 4.47Å; L125-A127 PolarHBondContact O-N 3.32Å; L125-A127 VanDerWaalsContact O-N 3.16Å
126R78.3Confident80.1Confident210 Ų21076.2 Ų76.279%0.79237%0.367SS*.THydrogen-bonded Turntrans46.640.6-171-62.4-177.5175.3177-1.2112.2I122 E123 S124 I128I122-R126 PolarHBondContact O-N 2.93Å; I122-R126 VanDerWaalsContact O-N 3.16Å; E123-R126 PolarHBondContact O-N 3.27Å; S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.41Å; R126-I128 PolarHBondContact O-N 3.4Å
127A76.1Confident79.7Confident16 Ų1680.3 Ų80.313%0.13239%0.385CS..  trans-71.9128.8-176.600000110.2I122 L125 F141I122-A127 HydrophobicContact CG2-CB 4.33Å; I122-A127 PolarHBondContact O-N 2.95Å; I122-A127 VanDerWaalsContact O-N 3.09Å; L125-A127 HydrophobicContact CB-CB 4.47Å; L125-A127 PolarHBondContact O-N 3.32Å; L125-A127 VanDerWaalsContact O-N 3.16Å; A127-F141 HydrophobicContact CB-CB 4.02Å; A127-F141 HydrophobicContact CB-CD1 3.8Å; A127-F141 HydrophobicContact CB-CG 4.32Å
128I74.5Confident79.3Confident98 Ų9884.8 Ų84.850%0.50340%0.403SS..SBendtrans-86.6-32.7-178.8-61.9167.5000110.6R126 S142 V145R126-I128 PolarHBondContact O-N 3.4Å; I128-S142 PolarHBondContact N-O 2.93Å; I128-V145 HydrophobicContact CB-CG2 4.35Å; I128-V145 HydrophobicContact CD1-CB 3.73Å; I128-V145 HydrophobicContact CD1-CG2 4.01Å
129R77.7Confident79.2Confident178 Ų17882 Ų8267%0.67239%0.39SS*.EExtended strand (participates in β ladder)trans-140.5155.3175.1-50.8-176.5171-177.6-5110.1S142R129-S142 VanDerWaalsContact CB-OG 3.28Å; R129-S142 WeakPolarHBondContact CB-OG 3.34Å; R129-S142 PolarHBondContact N-OG 3.35Å; R129-S142 PolarHBondContact O-N 3.5Å; R129-S142 PolarHBondContact O-OG 2.82Å
130Y80.1Confident79.1Confident38 Ų3885.4 Ų85.415%0.14941%0.406CS..EExtended strand (participates in β ladder)trans-134.5150.5173.567.3-79.4000109.8E85 V103 I117 I132 L140E85-Y130 WeakPolarHBondContact OE2-CE1 3.23Å; V103-Y130 HydrophobicContact CB-CE2 4.46Å; V103-Y130 HydrophobicContact CG1-CE2 3.87Å; V103-Y130 HydrophobicContact CG2-CD2 4.26Å; V103-Y130 HydrophobicContact CG2-CE1 4.29Å; V103-Y130 HydrophobicContact CG2-CE2 3.74Å; I117-Y130 HydrophobicContact CD1-CD2 4.25Å; Y130-I132 HydrophobicContact CD2-CD1 4.19Å; Y130-I132 HydrophobicContact CD2-CG1 4.33Å; Y130-I132 HydrophobicContact CE2-CD1 4.13Å; Y130-L140 CarbonylContact C-O 3.51Å; Y130-L140 WeakPolarHBondContact CA-O 3.23Å
131E82.8Confident79.1Confident105 Ų10579.5 Ų79.549%0.49138%0.38SS..EExtended strand (participates in β ladder)trans-137.1134.9170.4-174.8166.4-160.100108.8K87 A139 L140K87-E131 IonicContact NZ-OE1 2.87Å; E131-A139 CarbonylContact O-C 3.57Å; E131-A139 WeakPolarHBondContact O-CA 3.42Å; E131-L140 HydrophobicContact CB-CB 4.4Å; E131-L140 PolarHBondContact N-O 3.45Å; E131-L140 PolarHBondContact O-N 3.09Å
132I82.1Confident79.2Confident20 Ų2080 Ų8010%0.10339%0.387CS..EExtended strand (participates in β ladder)trans-102.7135.5-178.9-67.5158.8000108.4I95 V103 L116 I117 Y130 A139I95-I132 HydrophobicContact CD1-CB 3.98Å; I95-I132 HydrophobicContact CD1-CD1 3.69Å; I95-I132 HydrophobicContact CD1-CG1 4.45Å; I95-I132 HydrophobicContact CD1-CG2 3.95Å; I95-I132 HydrophobicContact CG1-CD1 4.46Å; I95-I132 HydrophobicContact CG2-CD1 3.93Å; V103-I132 HydrophobicContact CG1-CD1 3.71Å; L116-I132 HydrophobicContact CD1-CD1 3.95Å; L116-I132 HydrophobicContact CD1-CG2 4.4Å; I117-I132 HydrophobicContact CD1-CD1 4Å; I117-I132 HydrophobicContact CD1-CG1 4.01Å; Y130-I132 HydrophobicContact CD2-CD1 4.19Å; Y130-I132 HydrophobicContact CD2-CG1 4.33Å; Y130-I132 HydrophobicContact CE2-CD1 4.13Å; I132-A139 HydrophobicContact CG1-CB 4.43Å
133S77.6Confident79.1Confident32 Ų3284.4 Ų84.422%0.22440%0.404CS..  trans-63.6146.4177.4-179.20000111.3D135 R136 Y138S133-D135 WeakPolarHBondContact CB-OD1 3.43Å; S133-D135 PolarHBondContact O-N 3.19Å; S133-D135 PolarHBondContact OG-OD1 3.09Å; S133-D135 PolarHBondContact OG-OD2 3.14Å; S133-R136 PolarHBondContact O-N 3.01Å; S133-Y138 WeakPolarHBondContact CB-O 3.36Å; S133-Y138 PolarHBondContact N-O 3.16Å
134P77.7Confident78.8Confident112 Ų11283.6 Ų83.673%0.72741%0.405SS*.THydrogen-bonded Turntrans-57.9-29.7177.3-24.634.4000114.1R136P134-R136 VanDerWaalsContact C-N 3.25Å; P134-R136 PolarHBondContact O-N 3.28Å
135D75.8Confident78.7Confident80 Ų8082.6 Ų82.643%0.42840%0.395SS..THydrogen-bonded Turntrans-76.7-9.2176.860.112.2000113.8S133 E137S133-D135 WeakPolarHBondContact CB-OD1 3.43Å; S133-D135 PolarHBondContact O-N 3.19Å; S133-D135 PolarHBondContact OG-OD1 3.09Å; S133-D135 PolarHBondContact OG-OD2 3.14Å; D135-E137 HydrophobicContact CB-CG 4.42Å; D135-E137 PolarHBondContact O-N 3.22Å; D135-E137 PolarHBondContact OD1-N 2.93Å
136R76.9Confident78.8Confident111 Ų11186.9 Ų86.942%0.41941%0.413SS..SBendtrans6223-176.8-49.5167.8-69.9-161.51.3113.5I89 E93 S133 P134 L192I89-R136 HydrophobicContact CD1-CG 4.17Å; E93-R136 IonicContact OE1-NH1 3.8Å; E93-R136 IonicContact OE2-NH1 2.8Å; E93-R136 PolarHBondContact OE2-NH1 3.28Å; S133-R136 PolarHBondContact O-N 3.01Å; P134-R136 VanDerWaalsContact C-N 3.25Å; P134-R136 PolarHBondContact O-N 3.28Å; R136-L192 WeakPolarHBondContact O-CD1 2.95Å
137E78.3Confident78.1Confident117 Ų11783 Ų8355%0.54742%0.415SS..SBendtrans-101.8-22.2179-63.6-161.8138.900113.3D135 L192D135-E137 HydrophobicContact CB-CG 4.42Å; D135-E137 PolarHBondContact O-N 3.22Å; D135-E137 PolarHBondContact OD1-N 2.93Å; E137-L192 VanDerWaalsContact O-CG 3.23Å; E137-L192 WeakPolarHBondContact O-CG 3.35Å; E137-L192 PolarHBondContact O-N 3.01Å
138Y79.1Confident77.5Confident95 Ų9589 Ų8937%0.37344%0.442SS..EExtended strand (participates in β ladder)trans-129146.4-175.4-62.1-84.1000111.8S133 P191S133-Y138 WeakPolarHBondContact CB-O 3.36Å; S133-Y138 PolarHBondContact N-O 3.16Å; Y138-P191 HydrophobicContact CE1-CB 4.26Å; Y138-P191 HydrophobicContact CE1-CG 4.14Å
139A83.9Confident77Confident3 Ų393.8 Ų93.83%0.02546%0.459CS..EExtended strand (participates in β ladder)trans-126.5131.6169.700000109.6I117 E131 I132 F141 L192I117-A139 HydrophobicContact CD1-CB 3.8Å; I117-A139 HydrophobicContact CG1-CB 4.38Å; E131-A139 CarbonylContact O-C 3.57Å; E131-A139 WeakPolarHBondContact O-CA 3.42Å; I132-A139 HydrophobicContact CG1-CB 4.43Å; A139-F141 HydrophobicContact CB-CE2 3.76Å; A139-F141 HydrophobicContact CB-CZ 3.93Å; A139-L192 HydrophobicContact CB-CD2 4.13Å
140L82.6Confident76Confident77 Ų7794.3 Ų94.340%0.40347%0.466SS..EExtended strand (participates in β ladder)trans-93.8131.9172.8-176.769.1000108.8Y130 E131 T187Y130-L140 CarbonylContact C-O 3.51Å; Y130-L140 WeakPolarHBondContact CA-O 3.23Å; E131-L140 HydrophobicContact CB-CB 4.4Å; E131-L140 PolarHBondContact N-O 3.45Å; E131-L140 PolarHBondContact O-N 3.09Å; L140-T187 HydrophobicContact CD1-CG2 4.3Å
141F83.4Confident74.6Confident22 Ų2298.6 Ų98.610%0.09650%0.496CS..EExtended strand (participates in β ladder)trans-119134.6174.4-62.7-82.1000109.9I117 I122 A127 A139I117-F141 HydrophobicContact CD1-CE1 4.07Å; I117-F141 HydrophobicContact CD1-CZ 3.77Å; I117-F141 HydrophobicContact CG1-CZ 4.28Å; I117-F141 HydrophobicContact CG2-CE1 4.13Å; I117-F141 HydrophobicContact CG2-CZ 3.82Å; I122-F141 HydrophobicContact CG1-CE1 4Å; A127-F141 HydrophobicContact CB-CB 4.02Å; A127-F141 HydrophobicContact CB-CD1 3.8Å; A127-F141 HydrophobicContact CB-CG 4.32Å; A139-F141 HydrophobicContact CB-CE2 3.76Å; A139-F141 HydrophobicContact CB-CZ 3.93Å
142S79.8Confident72.7Confident40 Ų40103 Ų10328%0.2851%0.514SS..EExtended strand (participates in β ladder)trans-107.7123.5171.568.80000110.3I128 R129I128-S142 PolarHBondContact N-O 2.93Å; R129-S142 VanDerWaalsContact CB-OG 3.28Å; R129-S142 WeakPolarHBondContact CB-OG 3.34Å; R129-S142 PolarHBondContact N-OG 3.35Å; R129-S142 PolarHBondContact O-N 3.5Å; R129-S142 PolarHBondContact O-OG 2.82Å
143Y80.6Confident71.1Confident104 Ų104107.5 Ų107.541%0.40855%0.547SS..  trans-117.9162.3175.960.7-86000110.1V145Y143-V145 VanDerWaalsContact C-N 3.34Å; Y143-V145 PolarHBondContact O-N 2.8Å
144N75.9Confident69.3Low136 Ų136117.3 Ų117.373%0.72758%0.579SS**SBendtrans52.445177.8-60.5-13.5000114.5E146N144-E146 PolarHBondContact O-N 2.83Å
145V73.7Confident67.4Low70 Ų70121 Ų12142%0.42458%0.584SS.*  trans-81.1112.4178.7-176.10000109.5I128 Y143I128-V145 HydrophobicContact CB-CG2 4.35Å; I128-V145 HydrophobicContact CD1-CB 3.73Å; I128-V145 HydrophobicContact CD1-CG2 4.01Å; Y143-V145 VanDerWaalsContact C-N 3.34Å; Y143-V145 PolarHBondContact O-N 2.8Å
146E77.7Confident65.5Low161 Ų161124.5 Ų124.575%0.75260%0.601SS**  trans-96.2128.7170.3-67.2-175.7174.900110.4N144 M148N144-E146 PolarHBondContact O-N 2.83Å; E146-M148 PolarHBondContact O-N 3.44Å; E146-M148 VanDerWaalsContact O-N 3.15Å
147P64.9Low63.3Low129 Ų129125 Ų12584%0.83862%0.617SS**  trans-71.2112.3-178.927.3-32.4000110.7
148M61.5Low61.3Low141 Ų141125.9 Ų125.970%0.69563%0.625SS**  trans-78.4134.1170.3-57.6-167.8-170.300110.4E146 K150 L183E146-M148 PolarHBondContact O-N 3.44Å; E146-M148 VanDerWaalsContact O-N 3.15Å; M148-K150 PolarHBondContact O-N 2.98Å; M148-L183 HydrophobicContact CE-CD1 3.57Å
149K64.8Low58.9Low198 Ų198127 Ų12786%0.86164%0.643SS**  trans-64.4122.2174.1-65.6-179.9-177.9175.80108.7V151K149-V151 PolarHBondContact O-N 3.45Å
150K57.8Low56.7Low189 Ų189136 Ų13682%0.82268%0.684SS**  trans-61.8105.8174.9-67.3-174.3-179-177.90109.1M148 K152M148-K150 PolarHBondContact O-N 2.98Å; K150-K152 PolarHBondContact O-N 2.86Å
151V49.5Very low54.5Low129 Ų129137.2 Ų137.278%0.78270%0.699SS**  trans-72.5113.2169.7179.20000107.4K149 S153K149-V151 PolarHBondContact O-N 3.45Å; V151-S153 PolarHBondContact O-N 2.85Å
152K43.8Very low51.8Low198 Ų198145.3 Ų145.386%0.86174%0.735SS**  trans-62.5104.6169.9-78-177.4178178.20107.7K150 R154K150-K152 PolarHBondContact O-N 2.86Å; K152-R154 PolarHBondContact O-N 2.93Å
153S47.9Very low49.3Very low113 Ų113148 Ų14879%0.7975%0.753SS**  trans-61.8107.7170.3-63.40000107.7V151 K155V151-S153 PolarHBondContact O-N 2.85Å; S153-K155 PolarHBondContact O-N 3.47Å
154R40.2Very low46.9Very low239 Ų239149.3 Ų149.390%0.90278%0.776SS**  trans-63.2121.6165.7-73.5-175.2-173.7-174.92.2106K152 L156K152-R154 PolarHBondContact O-N 2.93Å; R154-L156 PolarHBondContact O-N 2.96Å
155K37.8Very low44.7Very low190 Ų190149.1 Ų149.183%0.82678%0.775SS**  trans-59.4100.7176.9-167.2169.3-175178.50107.9S153 T157S153-K155 PolarHBondContact O-N 3.47Å; K155-T157 PolarHBondContact O-N 2.99Å; K155-T157 PolarHBondContact O-OG1 2.58Å
156L35.7Very low42.7Very low152 Ų152151.3 Ų151.380%0.79679%0.794SS**  trans-67.8104.8172.3-163.276.4000106.2R154 L158R154-L156 PolarHBondContact O-N 2.96Å; L156-L158 HydrophobicContact CD2-CD2 4.42Å; L156-L158 PolarHBondContact O-N 3.2Å
157T30.5Very low40.3Very low121 Ų121152.3 Ų152.374%0.74280%0.803SS**  trans-83.198.8178.9-48.90000105.5K155K155-T157 PolarHBondContact O-N 2.99Å; K155-T157 PolarHBondContact O-OG1 2.58Å
158L36.4Very low38.4Very low137 Ų137150.6 Ų150.672%0.71780%0.8SS**PPolyproline II helixtrans-68.9127.9172.4-72.9166.5000108.1L156 H160L156-L158 HydrophobicContact CD2-CD2 4.42Å; L156-L158 PolarHBondContact O-N 3.2Å; L158-H160 PolarHBondContact O-N 3.01Å
159P29.3Very low37.1Very low117 Ų117150.7 Ų150.776%0.7681%0.808SS**PPolyproline II helixtrans-62.6135.417424.7-30.4000109.8
160H37.3Very low35.2Very low192 Ų192146.6 Ų146.689%0.88980%0.804SS**PPolyproline II helixtrans-56.1148.2172.5-113.458000111.1L158L158-H160 PolarHBondContact O-N 3.01Å
161S35.7Very low34.2Very low103 Ų103146.4 Ų146.472%0.7281%0.806SS**  trans86.2111.4175.6-159.20000112.1
162K26.8Very low33.2Very low193 Ų193144.6 Ų144.684%0.83981%0.805SS**  -154.8158.355.7-69.3-175.9179.8-173.40112.8
163S27.5Very low32.1Very low96 Ų96141.7 Ų141.767%0.67181%0.808SS**  trans-33.2131.3172.1-161.30000115.7D165S163-D165 PolarHBondContact O-N 3.16Å
164C29.3Very low30.9Very low132 Ų132141.7 Ų141.789%0.89281%0.808SS**SBendtrans-8067.3165.8-74.20000109.9
165D30.6Very low30.7Very low131 Ų131135.8 Ų135.870%0.70180%0.801SS**  trans-133.6131.5160.8-79.6-50.4000107S163S163-D165 PolarHBondContact O-N 3.16Å
166S30.9Very low30.1Very low116 Ų116131.5 Ų131.581%0.81180%0.801SS**  trans70.593.6-179.656.80000117.3
167L28.5Very low29.6Very low182 Ų182130.7 Ų130.795%0.95381%0.806SS**  -160.8130.1123.9-101.5145.1000110.3
168A25.4Very low29.4Very low94 Ų94133.8 Ų133.878%0.77781%0.812SS**  trans-69.6161.1-167.400000114S170A168-S170 PolarHBondContact O-N 2.98Å
169V34.6Very low29.2Very low143 Ų143136 Ų13687%0.86782%0.819SS**  trans-43.7121.5162.3174.20000110.5
170S24.8Very low29.1Very low111 Ų111132.9 Ų132.978%0.77681%0.807SS**  trans-142.4117.6151.6-163.10000109.6A168 A172A168-S170 PolarHBondContact O-N 2.98Å; S170-A172 PolarHBondContact O-N 2.91Å
171Q35.6Very low28.6Very low185 Ų185129.6 Ų129.686%0.86481%0.805SS**  trans-55.2121.2160.9-79.4160.7-53.400109.3
172A27.8Very low28.2Very low91 Ų91133.4 Ų133.475%0.75281%0.809SS**  trans172.9104.5142.300000108.4S170S170-A172 PolarHBondContact O-N 2.91Å
173C20.8Very low28.3Very low138 Ų138129.9 Ų129.993%0.93280%0.799SS**  trans168.8105.4138.3-95.70000109.9
174S23.6Very low28.2Very low113 Ų113133.6 Ų133.679%0.7981%0.805SS**  trans-103.9163.2142.2-145.90000106.2
175P35.8Very low28.3Very low114 Ų114133.7 Ų133.774%0.7479%0.787SS**SBendcis-136.6111.6-10.829.8-7.9000111.7
176A26.2Very low28.4Very low101 Ų101133 Ų13384%0.83578%0.782SS**  trans-161.954.4168.300000112.5
177C24.2Very low28.6Very low134 Ų134129.3 Ų129.391%0.90576%0.755SS**  trans-108109.6163-850000108.7Q179C177-Q179 PolarHBondContact O-N 2.82Å; C177-Q179 VanDerWaalsContact O-N 3.14Å
178H26.3Very low29Very low187 Ų187125.6 Ų125.687%0.86673%0.734SS**  trans-28.4111.5169.9-92.2-103.6000113G180H178-G180 VanDerWaalsContact C-N 3.32Å; H178-G180 PolarHBondContact O-N 3.17Å
179Q31.9Very low29.6Very low184 Ų184124.4 Ų124.486%0.8672%0.72SS**  trans-3.782.9132.7-139142.40.100113.6C177 C181C177-Q179 PolarHBondContact O-N 2.82Å; C177-Q179 VanDerWaalsContact O-N 3.14Å; Q179-C181 PolarHBondContact O-N 3.35Å
180G27.5Very low29.9Very low50 Ų50120.4 Ų120.452%0.51569%0.693SS.*  trans-79.3103.8162.500000107.1H178 F182H178-G180 VanDerWaalsContact C-N 3.32Å; H178-G180 PolarHBondContact O-N 3.17Å; G180-F182 VanDerWaalsContact C-N 3.34Å; G180-F182 WeakPolarHBondContact O-CD2 3.1Å; G180-F182 PolarHBondContact O-N 3.06Å
181C26Very low30.6Very low123 Ų123116.6 Ų116.683%0.83167%0.666SS**  trans-59.196.7169.5-65.50000108.9Q179 L183Q179-C181 PolarHBondContact O-N 3.35Å; C181-L183 PolarHBondContact O-N 3.48Å
182F27.5Very low30.7Very low183 Ų183109.3 Ų109.380%0.80363%0.633SS**  trans-79.1108.4165.4-68.9-80.9000107.4G180 H184G180-F182 VanDerWaalsContact C-N 3.34Å; G180-F182 WeakPolarHBondContact O-CD2 3.1Å; G180-F182 PolarHBondContact O-N 3.06Å; F182-H184 PolarHBondContact O-N 3.11Å; F182-H184 VanDerWaalsContact O-N 3.15Å
183L28.8Very low31.3Very low120 Ų120110.9 Ų110.963%0.62863%0.625SS**  trans-73.2105.1173-142.2132.5000107.3M148 C181 Y185M148-L183 HydrophobicContact CE-CD1 3.57Å; C181-L183 PolarHBondContact O-N 3.48Å; L183-Y185 PolarHBondContact O-N 3.47Å
184H26.6Very low32.3Very low173 Ų173107 Ų10780%0.80160%0.598SS**  trans-69.4109.5170.6-77.9-95.3000108.3F182F182-H184 PolarHBondContact O-N 3.11Å; F182-H184 VanDerWaalsContact O-N 3.15Å
185Y30.1Very low33.4Very low135 Ų135102.6 Ų102.653%0.52957%0.566SS.*  trans-94.8123.2166.352.4-84.8000107.9L183 T187L183-Y185 PolarHBondContact O-N 3.47Å; Y185-T187 HydrophobicContact CD2-CG2 3.44Å; Y185-T187 VanDerWaalsContact CD2-CG2 3.44Å; Y185-T187 HydrophobicContact CE2-CG2 3.64Å; Y185-T187 PolarHBondContact O-N 3.16Å
186I32.7Very low33.3Very low116 Ų116106.8 Ų106.860%0.59557%0.567SS**  trans-81.5102.3173.1-61.2174.5000106.3M188I186-M188 HydrophobicContact CG2-CG 4.21Å
187T36.1Very low33.6Very low39 Ų39107.4 Ų107.424%0.23956%0.556CS.*  trans-82.2114.1170.1530000109.2L140 Y185 G275L140-T187 HydrophobicContact CD1-CG2 4.3Å; Y185-T187 HydrophobicContact CD2-CG2 3.44Å; Y185-T187 VanDerWaalsContact CD2-CG2 3.44Å; Y185-T187 HydrophobicContact CE2-CG2 3.64Å; Y185-T187 PolarHBondContact O-N 3.16Å; T187-G275 PolarHBondContact OG1-O 3.35Å
188M36.8Very low33.9Very low103 Ų103108.9 Ų108.951%0.50754%0.544SS..  trans-98.7111.8166.2-65.4-118.39600108.4I186I186-M188 HydrophobicContact CG2-CG 4.21Å
189S36.9Very low34.1Very low69 Ų69103.1 Ų103.148%0.48352%0.521SS..  trans-87.7108.9168.751.50000108.6
190L41.9Very low33.9Very low59 Ų5999.1 Ų99.131%0.30951%0.514SS..EExtended strand (participates in β ladder)trans-98.5133176.8-76.4142.5000109.7
191P38.5Very low34Very low31 Ų31100.3 Ų100.320%0.20152%0.519CS..EExtended strand (participates in β ladder)trans-63.2138.3169.7-17.129.2000110.7Y138 H193 C194 L195Y138-P191 HydrophobicContact CE1-CB 4.26Å; Y138-P191 HydrophobicContact CE1-CG 4.14Å; P191-H193 WeakPolarHBondContact CB-CE1 3.47Å; P191-H193 WeakPolarHBondContact CB-ND1 3.3Å; P191-H193 PolarHBondContact O-N 3.04Å; P191-C194 PolarHBondContact O-N 3.45Å; P191-C194 VanDerWaalsContact O-N 3.15Å; P191-L195 PolarHBondContact O-N 3.45Å
192L38.3Very low34.2Very low33 Ų3399.2 Ų99.217%0.17351%0.508CS..THydrogen-bonded Turntrans-60.9-27.9-177.9-72.9172.3000113.6I117 R136 E137 A139 L195I117-L192 HydrophobicContact CG1-CD2 4.5Å; R136-L192 WeakPolarHBondContact O-CD1 2.95Å; E137-L192 VanDerWaalsContact O-CG 3.23Å; E137-L192 WeakPolarHBondContact O-CG 3.35Å; E137-L192 PolarHBondContact O-N 3.01Å; A139-L192 HydrophobicContact CB-CD2 4.13Å; L192-L195 HydrophobicContact CD2-CD1 4.11Å; L192-L195 WeakPolarHBondContact O-CB 3.39Å; L192-L195 PolarHBondContact O-N 3.49Å
193H41.6Very low34.2Very low124 Ų12498.1 Ų98.157%0.57451%0.511SS*.THydrogen-bonded Turntrans-70.5-37.7176.963-91.7000112.7P191 L195 R196 D197P191-H193 WeakPolarHBondContact CB-CE1 3.47Å; P191-H193 WeakPolarHBondContact CB-ND1 3.3Å; P191-H193 PolarHBondContact O-N 3.04Å; H193-L195 PolarHBondContact O-N 3.16Å; H193-R196 VanDerWaalsContact O-CB 3.23Å; H193-R196 WeakPolarHBondContact O-CB 3.49Å; H193-R196 PolarHBondContact O-N 3.44Å; H193-D197 PolarHBondContact O-N 3.04Å
194C41.5Very low34.1Very low56 Ų5694.9 Ų94.938%0.37851%0.506SS..Hα-helixtrans-63.1-29.5174.6-65.10000112.3P191 R196 Y198P191-C194 PolarHBondContact O-N 3.45Å; P191-C194 VanDerWaalsContact O-N 3.15Å; C194-R196 PolarHBondContact O-N 3.19Å; C194-Y198 PolarHBondContact O-N 3.12Å
195L45.3Very low34Very low20 Ų2098.3 Ų98.311%0.10551%0.514CS..Hα-helixtrans-68.8-24.6173.2-66.4173.5000112K121 P191 L192 H193K121-L195 HydrophobicContact CD-CB 4.18Å; K121-L195 HydrophobicContact CD-CD2 4.34Å; K121-L195 WeakPolarHBondContact CE-O 3.46Å; K121-L195 VanDerWaalsContact NZ-C 3.3Å; K121-L195 PolarHBondContact NZ-O 2.72Å; P191-L195 PolarHBondContact O-N 3.45Å; L192-L195 HydrophobicContact CD2-CD1 4.11Å; L192-L195 WeakPolarHBondContact O-CB 3.39Å; L192-L195 PolarHBondContact O-N 3.49Å; H193-L195 PolarHBondContact O-N 3.16Å
196R34.5Very low33.7Very low203 Ų20397.3 Ų97.377%0.76653%0.527SS*.Hα-helixtrans-74.9-41.8-179-161.4171.9-169.6174.81.5111.4H193 C194H193-R196 VanDerWaalsContact O-CB 3.23Å; H193-R196 WeakPolarHBondContact O-CB 3.49Å; H193-R196 PolarHBondContact O-N 3.44Å; C194-R196 PolarHBondContact O-N 3.19Å
197D31.5Very low33.8Very low113 Ų11398.7 Ų98.760%0.60454%0.541SS*.Hα-helixtrans-79.1-27.9-177.4-60.3-34000113H193 V199 S200H193-D197 PolarHBondContact O-N 3.04Å; D197-V199 PolarHBondContact O-N 3.36Å; D197-S200 PolarHBondContact O-N 3.5Å; D197-S200 VanDerWaalsContact O-N 3.08Å
198Y30.6Very low33.3Very low166 Ų166101 Ų10165%0.65156%0.563SS**Hα-helixtrans-59.7-31.8174.9-167.8-97000112.8C194 S200 A201 V202C194-Y198 PolarHBondContact O-N 3.12Å; Y198-S200 VanDerWaalsContact C-N 3.33Å; Y198-A201 PolarHBondContact O-N 2.93Å; Y198-V202 HydrophobicContact CE1-CG2 4.48Å; Y198-V202 WeakPolarHBondContact O-CG2 3.21Å
199V31.5Very low32.7Very low65 Ų65103.9 Ų103.939%0.39458%0.58SS.*Hα-helixtrans-71.8-27.9178.3176.90000111.8D197 A201D197-V199 PolarHBondContact O-N 3.36Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 3.02Å
200S28.3Very low32.1Very low100 Ų100106.1 Ų106.170%0.69959%0.593SS**Hα-helixtrans-74.6-22.4179.9-1550000112.9D197 Y198D197-S200 PolarHBondContact O-N 3.5Å; D197-S200 VanDerWaalsContact O-N 3.08Å; Y198-S200 VanDerWaalsContact C-N 3.33Å
201A29Very low31.2Very low75 Ų75107.9 Ų107.962%0.6262%0.616SS**G310 helixtrans-82.7-13.1-179.900000114.1Y198 V199 N203Y198-A201 PolarHBondContact O-N 2.93Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 3.02Å; A201-N203 VanDerWaalsContact C-N 3.3Å; A201-N203 PolarHBondContact O-N 3.2Å
202V30.2Very low30.6Very low100 Ų100112.1 Ų112.161%0.60665%0.645SS**G310 helixtrans-87.78.2-173-178.80000113.3Y198Y198-V202 HydrophobicContact CE1-CG2 4.48Å; Y198-V202 WeakPolarHBondContact O-CG2 3.21Å
203N28.4Very low29.8Very low161 Ų161118.5 Ų118.586%0.86167%0.674SS**G310 helixtrans-93.217174.1-78.8-15.3000114.6A201A201-N203 VanDerWaalsContact C-N 3.3Å; A201-N203 PolarHBondContact O-N 3.2Å
204G26.6Very low29.1Very low52 Ų52118.9 Ų118.954%0.53669%0.685SS.*SBendtrans-152.6115.2171.700000110.4S206G204-S206 PolarHBondContact O-N 2.94Å
205Y23.7Very low28.4Very low244 Ų244124.6 Ų124.696%0.95771%0.706SS**  trans-48126.8-172.6-61-93.4000115.1
206S22.8Very low27.6Very low115 Ų115127.5 Ų127.580%0.80474%0.74SS**  -167.8119.9125.5-159.60000111G204G204-S206 PolarHBondContact O-N 2.94Å
207T36.7Very low27.4Very low145 Ų145120.9 Ų120.989%0.8974%0.736SS**  trans-79.4111.9173.645.10000110.4
208A24.7Very low27.2Very low86 Ų86120.8 Ų120.871%0.71174%0.741SS**  trans-154.198.4157.500000109.4P210A208-P210 WeakPolarHBondContact O-CD 3.47Å
209L25Very low27.6Very low164 Ų164118.9 Ų118.986%0.85975%0.747SS**  trans-70.2124.6161.4-75.2162.3000107.4A211L209-A211 PolarHBondContact O-N 3.14Å; L209-A211 VanDerWaalsContact O-N 3.12Å
210P24.2Very low27.7Very low116 Ų116120.1 Ų120.175%0.75376%0.758SS**  trans-72106.616627.9-28.5000108A208 C212A208-P210 WeakPolarHBondContact O-CD 3.47Å; P210-C212 PolarHBondContact O-N 3.22Å
211A22.8Very low28Very low97 Ų97122.4 Ų122.480%0.80276%0.762SS**  trans-70.7105.5165.200000108.3L209 H213L209-A211 PolarHBondContact O-N 3.14Å; L209-A211 VanDerWaalsContact O-N 3.12Å; A211-H213 PolarHBondContact O-N 3.09Å; A211-H213 VanDerWaalsContact O-N 3.09Å
212C24.6Very low28.3Very low120 Ų120123.6 Ų123.681%0.81176%0.757SS**  trans-71102168.3-67.80000108.9P210P210-C212 PolarHBondContact O-N 3.22Å
213H22.3Very low28.4Very low166 Ų166123.9 Ų123.977%0.76976%0.761SS**  trans-78.6116.3172.6-164.3-80.5000109.3A211 Q215A211-H213 PolarHBondContact O-N 3.09Å; A211-H213 VanDerWaalsContact O-N 3.09Å; H213-Q215 PolarHBondContact O-N 3.27Å
214V27.5Very low28.9Very low132 Ų132125.2 Ų125.280%0.875%0.754SS**  trans-84.9107.6174.7-179.40000108.3
215Q25.3Very low29.2Very low176 Ų176133.7 Ų133.782%0.82277%0.77SS**  trans-85.6122.4167.3-120.5171.616.700108.5H213H213-Q215 PolarHBondContact O-N 3.27Å
216G29.8Very low29.5Very low81 Ų81126.8 Ų126.884%0.83576%0.755SS**  trans-72.6153.1-16800000115.7
217G29.3Very low30.1Very low65 Ų65131.4 Ų131.467%0.6776%0.755SS**  trans-153.3146162.300000110
218P28.8Very low29.8Very low110 Ų110131.2 Ų131.271%0.71475%0.748SS**  trans-74.8143.2-173.127.9-32000113.7S220P218-S220 PolarHBondContact O-N 3.46Å
219V37.5Very low30.3Very low127 Ų127134.4 Ų134.477%0.7775%0.748SS**THydrogen-bonded Turntrans-78.262.7179.6-172.80000110.6I222V219-I222 HydrophobicContact CG1-CD1 4.07Å
220S33.7Very low30.5Very low90 Ų90134 Ų13463%0.62975%0.747SS**THydrogen-bonded Turntrans-126-10.1173.346.60000114.1P218P218-S220 PolarHBondContact O-N 3.46Å
221D34.3Very low30.8Very low148 Ų148134.5 Ų134.579%0.79175%0.752SS**  trans-107.621.1-176.8-70.9-36.2000114.7P223D221-P223 WeakPolarHBondContact O-CD 3.23Å
222I36.4Very low31.1Very low100 Ų100140.6 Ų140.651%0.51375%0.754SS.*  trans-87.2117.3172-53.4177000108.5V219 W224V219-I222 HydrophobicContact CG1-CD1 4.07Å; I222-W224 PolarHBondContact O-N 2.91Å; I222-W224 VanDerWaalsContact O-N 3.09Å
223P31.8Very low31.5Very low106 Ų106145.9 Ų145.969%0.68876%0.757SS**  trans-77.2100-175.729.7-31.7000110.9D221 R225 P226D221-P223 WeakPolarHBondContact O-CD 3.23Å; P223-R225 PolarHBondContact O-N 3.17Å; P223-P226 WeakPolarHBondContact O-CD 3.47Å
224W38.3Very low31.7Very low189 Ų189144.9 Ų144.972%0.71676%0.762SS**  trans-769.9-178.9-72.796.3000116I222I222-W224 PolarHBondContact O-N 2.91Å; I222-W224 VanDerWaalsContact O-N 3.09Å
225R32.6Very low31.7Very low230 Ų230144.4 Ų144.487%0.86876%0.762SS**THydrogen-bonded Turntrans-82.9-14.4-173.4-73.1-165.4-171.4-147.74.2118.1P223P223-R225 PolarHBondContact O-N 3.17Å
226P31.1Very low31.8Very low100 Ų100139.9 Ų139.965%0.64976%0.762SS**THydrogen-bonded Turntrans-86.9-11176.1-1531.1000115.7P223P223-P226 WeakPolarHBondContact O-CD 3.47Å
227W35Very low31.7Very low212 Ų212139.6 Ų139.680%0.80376%0.76SS**SBendtrans-99.1-9.3-166-92.876.8000116.2
228L30.4Very low31.7Very low141 Ų141148.4 Ų148.474%0.73877%0.773SS**SBendtrans-91.4-19.4-177.3-117.190.4000114.5
229E35Very low32.1Very low153 Ų153149.9 Ų149.972%0.71578%0.78SS**G310 helixtrans-80.6-18.4-174.4-102.165.6-149.500114.6
230D29.2Very low31.6Very low156 Ų156148.7 Ų148.783%0.83478%0.784SS**G310 helixtrans-86.6-10.6-175.2-117.81.6000114.3R232D230-R232 VanDerWaalsContact C-N 3.28Å; D230-R232 PolarHBondContact O-N 3.4Å
231C31.5Very low31.4Very low126 Ų126152.9 Ų152.985%0.85180%0.799SS**G310 helixtrans-81.1-0.5175.8-82.70000114.1
232R29.2Very low31Very low224 Ų224149.4 Ų149.485%0.84580%0.798SS**G310 helixtrans-110.520-171.1-147.4-170.6145113.7-2.2116D230D230-R232 VanDerWaalsContact C-N 3.28Å; D230-R232 PolarHBondContact O-N 3.4Å
233R31.8Very low30.7Very low232 Ų232151.4 Ų151.488%0.87582%0.815SS**  trans-148.995.8166.6-71.6-169.2-166.7144.14.9113.8
234V26.6Very low30.6Very low144 Ų144157.5 Ų157.587%0.87382%0.824SS**  trans-138111.8145.3-175.40000109.2
235P28.4Very low30.1Very low122 Ų122156 Ų15679%0.79283%0.83SS**  trans-88.4145.4168.133-27.8000111.1
236G27.4Very low29.7Very low81 Ų81155.4 Ų155.484%0.83583%0.827SS**  trans120.979.7157.500000115.6
237G28.2Very low29.3Very low76 Ų76156 Ų15678%0.78483%0.833SS**  trans-79.9150.716000000111.9
238R27.4Very low28.9Very low249 Ų249153 Ų15394%0.9483%0.828SS**  trans-149.9127.7146-114.4-175.4-76.4-175.8-1.7110.3
239T39.2Very low28.5Very low141 Ų141150.4 Ų150.487%0.86583%0.827SS**  trans-76.8144.7-179.947.30000112.1
240A26.2Very low28Very low103 Ų103149.2 Ų149.285%0.85183%0.832SS**  trans-144124.7155.100000110.8
241N30.3Very low27.8Very low178 Ų178146.2 Ų146.295%0.95283%0.829SS**  trans-62.3148.5177.1-87.9-33.3000113.1
242G25.5Very low27.7Very low74 Ų74145 Ų14576%0.76383%0.828SS**  trans162.6106.9163.500000114.1
243T30Very low27.4Very low142 Ų142141.7 Ų141.787%0.87183%0.826SS**  trans-26.5141.3171.540.50000120.2
244R29.6Very low27.4Very low234 Ų234141.2 Ų141.288%0.88382%0.824SS**  trans92.8131.9144.8-129.7-178.9-119.5-139-0.5118.8
245L26.6Very low27.4Very low159 Ų159142.5 Ų142.583%0.83282%0.821SS**  trans68.7115.4178.4-76.6100.2000117.8
246R24.3Very low27.4Very low217 Ų217144.8 Ų144.882%0.81982%0.821SS**  trans-108.495.5161-77.5-167.2-171.2-153.80.2110.3H248R246-H248 WeakPolarHBondContact CD-NE2 3.49Å
247S23.8Very low27.2Very low111 Ų111146.2 Ų146.278%0.77682%0.817SS**  trans-69.8120.8148.351.30000108.3
248H25.4Very low27.1Very low151 Ų151147.7 Ų147.770%0.69981%0.812SS**  trans-101.485.6169.3-82.1-74.2000109.3R246R246-H248 WeakPolarHBondContact CD-NE2 3.49Å
249A23.3Very low26.9Very low85 Ų85142.9 Ų142.970%0.70281%0.805SS**PPolyproline II helixtrans-85.5133150.800000107.6
250P24.9Very low26.2Very low129 Ų129141.5 Ų141.584%0.83880%0.801SS**PPolyproline II helixtrans-79121.8162.75.510.4000109
251A24Very low26.3Very low93 Ų93144.6 Ų144.677%0.76979%0.792SS**PPolyproline II helixtrans-62137.1174.700000111.6
252A28.9Very low26Very low100 Ų100145.3 Ų145.383%0.82679%0.789SS**PPolyproline II helixtrans-59.9130.5168.900000111.1
253L24.4Very low26Very low154 Ų154146.8 Ų146.881%0.80679%0.786SS**  trans-112.7100.6159.6-128.992.3000108Q255L253-Q255 PolarHBondContact O-N 3.49Å
254R31.9Very low25.9Very low222 Ų222143.6 Ų143.684%0.83878%0.782SS**  trans-64.4122.8161.9-93-179.5171.9164.1-2.7108.2
255Q26Very low26Very low172 Ų172144 Ų14480%0.80478%0.784SS**  trans-129.3111.8151-78.4-173.3-1500108.3L253L253-Q255 PolarHBondContact O-N 3.49Å
256H28Very low25.9Very low170 Ų170141.8 Ų141.879%0.78778%0.78SS**  trans-64.1132.9170-83.1-87.4000109.7
257C22.9Very low26.2Very low110 Ų110141.5 Ų141.574%0.74379%0.788SS**  trans-148121.1156.2-134.30000108.9
258P25.6Very low26.4Very low107 Ų107139.5 Ų139.570%0.69578%0.779SS**  trans-84.4119176.732-27.5000109.2
259L24.7Very low26.5Very low149 Ų149138.3 Ų138.378%0.7879%0.787SS**  trans-100.2102.6163.7-83.8160.6000107.3
260S24.2Very low26.8Very low112 Ų112142.2 Ų142.278%0.78379%0.79SS**  trans-79.9127.9172.3-179.20000109.3
261Y27.9Very low27Very low167 Ų167142.5 Ų142.566%0.65578%0.784SS**  trans-130.1122.6162.557.6-89.6000109C263Y261-C263 PolarHBondContact O-N 3.15Å
262E24.3Very low27.2Very low194 Ų194143.6 Ų143.691%0.90778%0.776SS**  trans-75116.6175.3-78.2-175.6118.600109.7
263C24.9Very low27.1Very low104 Ų104144.2 Ų144.270%0.70377%0.77SS**  trans-94.3111.6164.8-163.20000107.7Y261 R265Y261-C263 PolarHBondContact O-N 3.15Å; C263-R265 PolarHBondContact O-N 3.43Å
264G29.5Very low27.3Very low76 Ų76142 Ų14278%0.78477%0.765SS**THydrogen-bonded Turntrans-59.9111.9177.600000110.8
265R29.7Very low27.1Very low243 Ų243133.2 Ų133.292%0.91774%0.744SS**THydrogen-bonded Turntrans91.156169.4-148.9179.8-67.2-172.3-1116.6C263C263-R265 PolarHBondContact O-N 3.43Å
266C25.8Very low27.2Very low111 Ų111132.9 Ų132.975%0.7575%0.746SS**  trans-151.8111.9146-84.10000109A268C266-A268 VanDerWaalsContact C-N 3.27Å; C266-A268 PolarHBondContact O-N 2.71Å
267E29.2Very low27.2Very low211 Ų211132 Ų13299%0.98674%0.744SS**  trans-72.581.6165.3-94.9177.5127.500109.2
268A28.1Very low27.3Very low70 Ų70135.5 Ų135.558%0.57975%0.749SS**  trans-161.996.1161.400000109.1C266 H270C266-A268 VanDerWaalsContact C-N 3.27Å; C266-A268 PolarHBondContact O-N 2.71Å; A268-H270 PolarHBondContact O-N 3.33Å; A268-H270 VanDerWaalsContact O-N 3.1Å
269S28.5Very low27.3Very low125 Ų125134.7 Ų134.787%0.87475%0.746SS**  trans-73.594179.3-44.20000110.9
270H29.5Very low27.2Very low167 Ų167133.2 Ų133.277%0.77375%0.748SS**  trans-125.4110.5167.7-69.9-76000110.8A268 L272A268-H270 PolarHBondContact O-N 3.33Å; A268-H270 VanDerWaalsContact O-N 3.1Å; H270-L272 PolarHBondContact O-N 3.24Å
271L29.1Very low27.2Very low135 Ų135137.5 Ų137.571%0.70775%0.748SS**  trans-66111.5-179.2-81.5141.5000111.6
272L28.1Very low27Very low116 Ų116140.5 Ų140.561%0.60776%0.759SS**  trans-86.6114.8163.2-82.4149.1000108.6H270 P274H270-L272 PolarHBondContact O-N 3.24Å; L272-P274 WeakPolarHBondContact O-CD 3.48Å
273T27.8Very low27.1Very low113 Ų113138.7 Ų138.769%0.69375%0.75SS**  trans-98.6115.1176.7-3.50000109.9G275T273-G275 PolarHBondContact O-N 3.34Å
274P27.3Very low27.1Very low107 Ų107141.5 Ų141.570%0.69576%0.756SS**  trans-76.2113.4170.528-29.9000109.8L272L272-P274 WeakPolarHBondContact O-CD 3.48Å
275G29Very low27.2Very low39 Ų39142.4 Ų142.440%0.40275%0.751SS.*  trans-93.4117.1171.600000111T187 T273 M277T187-G275 PolarHBondContact OG1-O 3.35Å; T273-G275 PolarHBondContact O-N 3.34Å; G275-M277 PolarHBondContact O-N 3.12Å
276I28Very low27.1Very low165 Ų165134.5 Ų134.585%0.84675%0.745SS**  trans-84.3100.2168.7-58.4176.1000107.3
277M26.7Very low27.3Very low151 Ų151138.3 Ų138.374%0.74475%0.752SS**  trans-92.7118.5174.6-77.7-92.8-172.900109.9G275 S279G275-M277 PolarHBondContact O-N 3.12Å; M277-S279 PolarHBondContact O-N 3.08Å
278H25.1Very low27.3Very low184 Ų184138.9 Ų138.985%0.85275%0.745SS**  trans-85100.4170.6-128-100.2000108.6
279S26Very low27.3Very low90 Ų90140.3 Ų140.363%0.62976%0.757SS**  trans-90.7114.4174.9-171.70000110.6M277M277-S279 PolarHBondContact O-N 3.08Å
280S22.8Very low27.5Very low118 Ų118140 Ų14083%0.82575%0.75SS**  trans-96.6106.5169.3-166.70000108.7R282S280-R282 PolarHBondContact O-N 3.46Å
281Y24.9Very low27.5Very low201 Ų201145.1 Ų145.179%0.78877%0.774SS**  trans-86.3111.2178.5-144.2-94.2000109.9
282R23.4Very low27.5Very low231 Ų231145.7 Ų145.787%0.87278%0.778SS**  trans-93.5107.9167.5-150.9-176.7-154.3-152.26.6108S280 I284S280-R282 PolarHBondContact O-N 3.46Å; R282-I284 PolarHBondContact O-N 3.1Å; R282-I284 VanDerWaalsContact O-N 3.09Å
283Q24.9Very low27.4Very low156 Ų156147.2 Ų147.273%0.72979%0.787SS**  trans-66.7107.9177-160.3-175.1-19.700109.1S285Q283-S285 PolarHBondContact O-N 3.38Å
284I25.6Very low27.4Very low162 Ų162149.1 Ų149.183%0.83179%0.792SS**  trans-75.3103.9170.1-57.6174.2000106.3R282 G286R282-I284 PolarHBondContact O-N 3.1Å; R282-I284 VanDerWaalsContact O-N 3.09Å; I284-G286 PolarHBondContact O-N 3.49Å
285S30.8Very low27.4Very low96 Ų96151.6 Ų151.667%0.67180%0.797SS**PPolyproline II helixtrans-66119.4171.153.80000109.1Q283 Q287Q283-S285 PolarHBondContact O-N 3.38Å; S285-Q287 PolarHBondContact O-N 3.43Å
286G29.5Very low27.3Very low77 Ų77158.6 Ų158.679%0.79482%0.822SS**PPolyproline II helixtrans-56.2120.417300000111.1I284 R288I284-G286 PolarHBondContact O-N 3.49Å; G286-R288 PolarHBondContact O-N 3.41Å
287Q29.1Very low27.3Very low191 Ų191158.2 Ų158.289%0.89382%0.821SS**PPolyproline II helixtrans-75.6117.3162-79.4-170.1-29.200107.9S285 A289S285-Q287 PolarHBondContact O-N 3.43Å; Q287-A289 PolarHBondContact O-N 2.98Å
288R29.1Very low27.3Very low222 Ų222158.7 Ų158.784%0.83883%0.826SS**  trans-64.4109.5162.9-178.5-178.6-69176.6-3.9106.9G286 T290G286-R288 PolarHBondContact O-N 3.41Å; R288-T290 PolarHBondContact O-N 3.05Å
289A28.4Very low27.5Very low100 Ų100156.8 Ų156.883%0.82682%0.824SS**  trans-74.6109.8165.100000107.5Q287Q287-A289 PolarHBondContact O-N 2.98Å
290T31.7Very low27.6Very low120 Ų120162.3 Ų162.374%0.73684%0.84SS**  trans-91.7116157.545.70000106.9R288R288-T290 PolarHBondContact O-N 3.05Å
291E31.3Very low28.1Very low274 Ų274166.4 Ų166.4100%1.2884%0.842SS**  trans-154.80143.4-105.5179.1138.700107.8

Retrieved 291 of 291 residues in 65.3 ms (Link to these results)