A0A2K6QIP7_RHIRO Loading...

CUGBP Elav-like family member 6

AlphaFold DB , UniProt , Accession A0A2K6QIP7, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene CELF6, Length 481 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.1Very low41.1Very low237 Ų237122.9 Ų122.9100%1.16786%0.857SS**  0119.10-73.9163.2175.500106.5
2A38.7Very low40.6Very low90 Ų90121.1 Ų121.174%0.74486%0.855SS**  71.2106.8100.200000111
3A39Very low39.9Very low102 Ų102117.4 Ų117.484%0.84385%0.847SS**  77.814790.800000112.4
4A42.2Very low40.5Very low93 Ų93118.6 Ų118.677%0.76985%0.849SS**  cis-165.5157.1-19.200000107
5P55.8Low40Very low139 Ų139115.7 Ų115.790%0.90384%0.844SS**  trans-98.3157.3-173.137.1-34.9000115.2
6G36.2Very low40.3Very low83 Ų83116 Ų11686%0.85684%0.84SS**  trans166.4154.3164.600000113
7G39Very low40Very low80 Ų80121.4 Ų121.483%0.82584%0.837SS**  cis142.365.7-10.600000116.3
8S38.9Very low39.8Very low123 Ų123123.3 Ų123.386%0.8684%0.836SS**  trans-176.1170.6172.252.80000111.4
9A36.5Very low39.5Very low97 Ų97119.3 Ų119.380%0.80282%0.818SS**  cis-166.3155.3-42.300000109.9
10Q39Very low39.1Very low186 Ų186121.6 Ų121.687%0.86981%0.813SS**  trans-82.3165.3163.4-96.6-175.48.400110.1
11P50.9Low38.9Very low122 Ų122120.9 Ų120.979%0.79281%0.81SS**  -162.7-166.865.644.3-20.7000119.3
12A34.6Very low38.9Very low101 Ų101116 Ų11684%0.83579%0.793SS**  trans105139.9148.500000121
13G32.5Very low38.9Very low73 Ų73115.5 Ų115.575%0.75379%0.79SS**  trans-113.2-135.5162.400000109.6
14P48.2Very low38.7Very low135 Ų135117.6 Ų117.688%0.87779%0.786SS**  cis-140.2172.6-10.842.4-25.3000116.2
15G31.8Very low38.5Very low75 Ų75118.1 Ų118.177%0.77379%0.785SS**  trans80.5-176160.400000117.7
16P45.3Very low37.6Very low120 Ų120115 Ų11578%0.77978%0.778SS**  cis-134.4166.10.842.5-26.7000117.7
17R34.9Very low37.9Very low207 Ų207117.9 Ų117.978%0.78178%0.778SS**  trans26.7134.2145.2-66.5179.9166.6-87.2-2.7122.9
18L37.4Very low38Very low157 Ų157117.7 Ų117.782%0.82278%0.776SS**  -178.9136.4115.6-94164.7000109F20L18-F20 HydrophobicContact CD2-CE2 3.52Å; L18-F20 HydrophobicContact CD2-CZ 3.79Å
19G33.3Very low38.2Very low47 Ų47120.9 Ų120.949%0.48578%0.78SS.*  cis159.9132-16.300000113.4
20F32.5Very low38.3Very low164 Ų164122 Ų12272%0.71978%0.781SS**  trans62.4152.9157.6-5-81.6000117.2L18L18-F20 HydrophobicContact CD2-CE2 3.52Å; L18-F20 HydrophobicContact CD2-CZ 3.79Å
21S34.8Very low38.5Very low108 Ų108116.5 Ų116.576%0.75578%0.775SS**  cis-148.2178-8.7-70.90000106.8
22T36Very low37.9Very low134 Ų134118.7 Ų118.782%0.82278%0.779SS**  cis-155.3162.714.4-25.50000110.2
23A37.5Very low38.1Very low80 Ų80122.3 Ų122.366%0.66178%0.779SS**  trans-41.8171.3154.400000115
24D35.6Very low38.7Very low145 Ų145125 Ų12578%0.77578%0.783SS**  cis-156.4-1804-146-134.6000108.2
25S37.5Very low38.4Very low105 Ų105121 Ų12173%0.73477%0.767SS**  cis-142.2178.88.9-58.60000111
26G37.8Very low38.9Very low73 Ų73123.7 Ų123.775%0.75377%0.77SS**  trans-115.6149.2179.500000116.3
27V42.7Very low38.9Very low143 Ų143122.4 Ų122.487%0.86777%0.769SS**  trans-134.7127.5159.4178.60000107.7
28G40.4Very low39.8Very low76 Ų76118.8 Ų118.878%0.78477%0.77SS**  trans-84.5128.3176.400000111.9
29M43.4Very low40.7Very low190 Ų190113.3 Ų113.394%0.93674%0.744SS**  trans-129.4138.3160.8-95.3-164.516000111.5
30S38.5Very low41.9Very low120 Ų120119.6 Ų119.684%0.83976%0.763SS**  trans-68.3140.8-165.1-50.50000114.7
31G43.7Very low43.2Very low72 Ų72114.4 Ų114.474%0.74274%0.74SS**  63.260.7127.300000118.3
32L37.3Very low44.6Very low167 Ų167113.6 Ų113.687%0.87473%0.727SS**  trans-112.8113.1149.3-79.4172.5000109.3P34L32-P34 WeakPolarHBondContact O-CD 3.44Å
33H39.8Very low45.7Very low178 Ų178115 Ų11582%0.82472%0.724SS**  trans-63.6125.7168.6-76.6-127.8000108.4G35H33-G35 PolarHBondContact O-N 3.22Å
34P43.8Very low47.1Very low129 Ų129114.7 Ų114.784%0.83871%0.712SS**  trans-63.9110.6159.427.5-30.8000107.3L32L32-P34 WeakPolarHBondContact O-CD 3.44Å
35G41.3Very low48.9Very low52 Ų52108.3 Ų108.354%0.53668%0.679SS.*  trans-55.4157.6168.500000110.5H33 A37H33-G35 PolarHBondContact O-N 3.22Å; G35-A37 PolarHBondContact O-N 3.35Å
36P44.3Very low50.8Low131 Ų131105.4 Ų105.485%0.85166%0.655SS**  trans-53.8112.7-172.922.5-33.8000110.3V38P36-V38 PolarHBondContact O-N 3.04Å
37A44.5Very low53.2Low92 Ų92104.9 Ų104.976%0.7663%0.632SS**  trans-62.9103.3-173.500000109.5G35 P39G35-A37 PolarHBondContact O-N 3.35Å; A37-P39 WeakPolarHBondContact O-CD 3.31Å; A37-P39 VanDerWaalsContact O-N 3.09Å
38V53.5Low55.5Low132 Ų13298 Ų9880%0.859%0.59SS**PPolyproline II helixtrans-53.6117.1177.1-104.30000108.1P36 M40P36-V38 PolarHBondContact O-N 3.04Å; V38-M40 PolarHBondContact O-N 3.34Å; V38-M40 VanDerWaalsContact O-N 3.1Å
39P56.7Low58Low41 Ų4197.9 Ų97.927%0.26657%0.568SS.*PPolyproline II helixtrans-64.7119.5-175.125.2-32.8000108.4A37 K41 Y73A37-P39 WeakPolarHBondContact O-CD 3.31Å; A37-P39 VanDerWaalsContact O-N 3.09Å; P39-K41 PolarHBondContact O-N 2.93Å; P39-Y73 HydrophobicContact CG-CD2 4.23Å; P39-Y73 WeakPolarHBondContact O-CD2 3.48Å; P39-Y73 WeakPolarHBondContact O-CE2 3.49Å
40M59Low60.3Low180 Ų18088.8 Ų88.889%0.88752%0.523SS*.PPolyproline II helixtrans-61.5128.6176.9-75.1-179.7159.200109.5V38V38-M40 PolarHBondContact O-N 3.34Å; V38-M40 VanDerWaalsContact O-N 3.1Å
41K58.4Low62.8Low54 Ų5483.3 Ų83.324%0.23549%0.485CS..PPolyproline II helixtrans-80123174.3-176171.7179.4171.20108.6P39 A45 Y73 T93P39-K41 PolarHBondContact O-N 2.93Å; K41-A45 HydrophobicContact CD-CB 4.13Å; K41-A45 WeakPolarHBondContact CE-O 2.93Å; K41-A45 HydrophobicContact CG-CB 3.5Å; K41-Y73 HydrophobicContact CB-CD1 4.39Å; K41-Y73 HydrophobicContact CB-CD2 3.75Å; K41-Y73 HydrophobicContact CB-CE1 4.28Å; K41-Y73 HydrophobicContact CB-CE2 3.64Å; K41-Y73 HydrophobicContact CB-CG 4.14Å; K41-Y73 HydrophobicContact CD-CD1 3.87Å; K41-Y73 HydrophobicContact CD-CE1 3.78Å; K41-Y73 HydrophobicContact CD-CG 4.35Å; K41-Y73 HydrophobicContact CG-CD1 4.34Å; K41-Y73 HydrophobicContact CG-CD2 4.43Å; K41-Y73 HydrophobicContact CG-CE1 4.45Å; K41-Y73 HydrophobicContact CG-CG 4.32Å; K41-T93 HydrophobicContact CD-CG2 4.26Å
42D65.8Low65Low91 Ų9182.5 Ų82.549%0.48746%0.463SS..PPolyproline II helixtrans-62.3151.1172-165.7-75.2000110.9D44 A45 C95D42-D44 PolarHBondContact O-N 3.48Å; D42-D44 PolarHBondContact OD1-N 3.44Å; D42-A45 HydrophobicContact CB-CB 4.34Å; D42-A45 WeakPolarHBondContact O-CB 3.31Å; D42-A45 PolarHBondContact O-N 3.36Å; D42-A45 VanDerWaalsContact O-N 3.16Å; D42-C95 WeakPolarHBondContact CB-O 3.37Å; D42-C95 PolarHBondContact N-O 2.9Å
43H59Low67.5Low164 Ų16474.6 Ų74.676%0.75942%0.421SS*.THydrogen-bonded Turntrans-63.6-25.1178.4-113.1-74.8000113
44D65.5Low69.8Low74 Ų7467 Ų6740%0.39639%0.387SS..THydrogen-bonded Turntrans-98.214.9177.9-158.613.8000113.1D42 I46 R97D42-D44 PolarHBondContact O-N 3.48Å; D42-D44 PolarHBondContact OD1-N 3.44Å; D44-I46 PolarHBondContact O-N 3.45Å; D44-R97 VanDerWaalsContact CG-CD 3.41Å; D44-R97 VanDerWaalsContact CG-NH1 3.28Å; D44-R97 IonicContact OD1-CZ 3.14Å; D44-R97 IonicContact OD1-NH1 3.77Å; D44-R97 PolarHBondContact OD1-NH1 3.25Å; D44-R97 WeakPolarHBondContact OD2-CD 3.33Å; D44-R97 IonicContact OD2-CZ 2.77Å; D44-R97 IonicContact OD2-NE 2.61Å; D44-R97 IonicContact OD2-NH1 3.7Å; D44-R97 PolarHBondContact OD2-NH1 3.42Å
45A73.3Confident71.7Confident11 Ų1169.1 Ų69.19%0.09138%0.379CS..  trans-71.698-176.500000113.7K41 D42 Y94K41-A45 HydrophobicContact CD-CB 4.13Å; K41-A45 WeakPolarHBondContact CE-O 2.93Å; K41-A45 HydrophobicContact CG-CB 3.5Å; D42-A45 HydrophobicContact CB-CB 4.34Å; D42-A45 WeakPolarHBondContact O-CB 3.31Å; D42-A45 PolarHBondContact O-N 3.36Å; D42-A45 VanDerWaalsContact O-N 3.16Å; A45-Y94 WeakPolarHBondContact CB-O 3.43Å
46I78.9Confident73.6Confident44 Ų4469.7 Ų69.723%0.22638%0.384CS..PPolyproline II helixtrans-62.4134.3178.4-59.3-177.1000112D44 L48 R97 A100D44-I46 PolarHBondContact O-N 3.45Å; I46-L48 HydrophobicContact CG2-CD2 4.02Å; I46-R97 HydrophobicContact CD1-CG 3.81Å; I46-R97 HydrophobicContact CG1-CG 4.25Å; I46-A100 HydrophobicContact CB-CB 3.98Å; I46-A100 HydrophobicContact CG2-CB 4.4Å
47K87.2Confident75.5Confident61 Ų6165.7 Ų65.727%0.26536%0.356SS..EExtended strand (participates in β ladder)trans-92.5126.9165.2-170157.5-173157.60109.1E74 F91 T93 A125K47-E74 VanDerWaalsContact CE-OE2 3.29Å; K47-E74 WeakPolarHBondContact CE-OE2 3.16Å; K47-E74 VanDerWaalsContact NZ-CD 3.31Å; K47-E74 IonicContact NZ-OE1 2.69Å; K47-E74 PolarHBondContact NZ-OE1 3.19Å; K47-E74 IonicContact NZ-OE2 2.64Å; K47-E74 PolarHBondContact NZ-OE2 3.45Å; K47-F91 HydrophobicContact CD-CB 4.49Å; K47-F91 HydrophobicContact CG-CB 4.39Å; K47-F91 HydrophobicContact CG-CD1 4.47Å; K47-T93 WeakPolarHBondContact CG-OG1 3.42Å; K47-A125 HydrophobicContact CB-CB 4.45Å; K47-A125 HydrophobicContact CG-CB 4.31Å; K47-A125 VanDerWaalsContact O-CB 3.27Å; K47-A125 WeakPolarHBondContact O-CB 3.24Å; K47-A125 PolarHBondContact O-N 3.15Å
48L90.4Very high77.6Confident0 Ų064.6 Ų64.60%034%0.337CS..EExtended strand (participates in β ladder)trans-102.5143.8178-59.9171.9000109.9I46 F91 L92 Y94 A100 A103 V122 K123I46-L48 HydrophobicContact CG2-CD2 4.02Å; L48-F91 WeakPolarHBondContact O-CA 3.41Å; L48-L92 HydrophobicContact CB-CB 4.44Å; L48-L92 WeakPolarHBondContact CB-O 3.38Å; L48-L92 HydrophobicContact CD1-CD2 4.35Å; L48-L92 PolarHBondContact N-O 3.33Å; L48-L92 PolarHBondContact O-N 3.21Å; L48-Y94 HydrophobicContact CD1-CD2 4.08Å; L48-Y94 HydrophobicContact CD1-CE2 3.85Å; L48-A100 HydrophobicContact CD1-CB 3.98Å; L48-A100 HydrophobicContact CD2-CB 4.3Å; L48-A100 HydrophobicContact CG-CB 4.17Å; L48-A103 HydrophobicContact CD1-CB 4.47Å; L48-V122 HydrophobicContact CB-CG1 4.33Å; L48-V122 HydrophobicContact CD1-CG1 3.79Å; L48-V122 HydrophobicContact CD2-CG1 4.39Å; L48-V122 HydrophobicContact CG-CG1 4.41Å; L48-K123 CarbonylContact C-O 3.57Å; L48-K123 VanDerWaalsContact CA-O 3.32Å; L48-K123 WeakPolarHBondContact CA-O 3.31Å
49F92.9Very high79.3Confident72 Ų7261 Ų6132%0.31631%0.311SS..EExtended strand (participates in β ladder)trans-92.3131.7161176.6-94.4000108.6C89 F91 V122 K123 A125F49-C89 HydrophobicContact CE1-CB 4.26Å; F49-C89 HydrophobicContact CE2-CB 3.55Å; F49-C89 HydrophobicContact CZ-CB 3.39Å; F49-F91 HydrophobicContact CB-CD1 4.21Å; F49-F91 HydrophobicContact CB-CE1 4.07Å; F49-F91 HydrophobicContact CD2-CD1 4.19Å; F49-F91 AromaticContact CD2-CE1 3.75Å; F49-F91 HydrophobicContact CD2-CE1 3.75Å; F49-F91 HydrophobicContact CD2-CZ 4.28Å; F49-F91 HydrophobicContact CG-CE1 4.42Å; F49-V122 WeakPolarHBondContact O-CA 3.41Å; F49-K123 PolarHBondContact N-O 3.07Å; F49-K123 PolarHBondContact O-N 3.3Å; F49-A125 HydrophobicContact CB-CB 4.3Å
50V92.8Very high80.9Confident0 Ų067.1 Ų67.10%034%0.337CS..EExtended strand (participates in β ladder)trans-116.5106177.2-177.60000107.8I53 F66 C89 A90 L92 I120 V122V50-I53 HydrophobicContact CB-CD1 4.08Å; V50-I53 HydrophobicContact CG1-CD1 3.63Å; V50-I53 HydrophobicContact CG1-CG1 3.88Å; V50-F66 HydrophobicContact CB-CZ 4.4Å; V50-F66 HydrophobicContact CG1-CE1 4.37Å; V50-F66 HydrophobicContact CG1-CE2 4.33Å; V50-F66 HydrophobicContact CG1-CZ 3.58Å; V50-F66 HydrophobicContact CG2-CE1 4.23Å; V50-F66 HydrophobicContact CG2-CZ 3.98Å; V50-C89 CarbonylContact O-C 3.46Å; V50-C89 WeakPolarHBondContact O-CA 3.5Å; V50-C89 WeakPolarHBondContact O-CB 3.31Å; V50-A90 PolarHBondContact N-O 3.26Å; V50-A90 PolarHBondContact O-N 2.83Å; V50-L92 HydrophobicContact CG2-CB 4.01Å; V50-L92 HydrophobicContact CG2-CD2 4.25Å; V50-I120 HydrophobicContact CG1-CD1 3.59Å; V50-I120 HydrophobicContact CG1-CG1 3.73Å; V50-V122 HydrophobicContact CG1-CG2 4.33Å; V50-V122 HydrophobicContact CG2-CG2 4.33Å
51G91.3Very high82.3Confident4 Ų462.8 Ų62.84%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-98.2171.6174.600000113.7I120 Q121G51-I120 WeakPolarHBondContact O-CG1 3.14Å; G51-Q121 PolarHBondContact N-O 2.81Å; G51-Q121 PolarHBondContact O-N 2.93Å
52Q90.1Very high83.7Confident56 Ų5660.2 Ų60.226%0.26231%0.306SS..SBendtrans61.645.6-179.4-52.2-59.8-32.500113.8G88 M116 R118 P119 Q121Q52-G88 PolarHBondContact N-O 3.29Å; Q52-G88 VanDerWaalsContact N-O 3.07Å; Q52-M116 HydrophobicContact CB-CE 3.98Å; Q52-M116 VanDerWaalsContact OE1-CE 3.25Å; Q52-R118 HydrophobicContact CG-CB 4.02Å; Q52-P119 WeakPolarHBondContact CB-O 3.45Å; Q52-P119 WeakPolarHBondContact CG-O 3.24Å; Q52-Q121 HydrophobicContact CG-CB 4.45Å; Q52-Q121 HydrophobicContact CG-CG 4.01Å
53I89.6Confident84.9Confident1 Ų160.1 Ų60.11%0.00530%0.301CS..  trans-96.7136.4174.4-56.2177000110V50 L57 L62 H86 G88 A90 L113V50-I53 HydrophobicContact CB-CD1 4.08Å; V50-I53 HydrophobicContact CG1-CD1 3.63Å; V50-I53 HydrophobicContact CG1-CG1 3.88Å; I53-L57 HydrophobicContact CG2-CB 4.45Å; I53-L62 HydrophobicContact CD1-CD1 4.08Å; I53-L62 HydrophobicContact CG2-CD1 3.97Å; I53-L62 HydrophobicContact CG2-CD2 3.88Å; I53-H86 WeakPolarHBondContact CG2-NE2 3Å; I53-G88 PolarHBondContact N-O 3.11Å; I53-G88 WeakPolarHBondContact O-CA 3.32Å; I53-A90 HydrophobicContact CD1-CB 3.6Å; I53-L113 HydrophobicContact CG2-CD1 4.49Å
54P86.7Confident86.4Confident17 Ų1756.2 Ų56.211%0.1129%0.291CS..  trans-59143.9173.7-1524.4000111.9G56 L57 L113 P114 M116P54-G56 PolarHBondContact O-N 2.72Å; P54-L57 HydrophobicContact CB-CD1 4.47Å; P54-L57 HydrophobicContact CB-CG 4.2Å; P54-L57 HydrophobicContact CG-CD1 3.81Å; P54-L57 HydrophobicContact CG-CG 4.08Å; P54-L57 PolarHBondContact O-N 2.66Å; P54-L113 HydrophobicContact CG-CB 3.71Å; P54-L113 HydrophobicContact CG-CD1 4.38Å; P54-P114 VanDerWaalsContact CG-O 3.26Å; P54-P114 WeakPolarHBondContact CG-O 3.07Å; P54-M116 HydrophobicContact CB-CG 4.41Å; P54-M116 HydrophobicContact CB-SD 4.44Å; P54-M116 HydrophobicContact CG-CG 3.82Å; P54-M116 HydrophobicContact CG-SD 4.44Å
55R84.1Confident87.6Confident174 Ų17453.9 Ų53.966%0.65728%0.278SS*.THydrogen-bonded Turntrans-73.71.3-172.7-60.1-169.2-174.3-1443.2116.1H86R55-H86 HydrophobicContact CB-CB 4.11Å; R55-H86 WeakPolarHBondContact O-CB 3.49Å
56G81.3Confident88.4Confident64 Ų6453.4 Ų53.466%0.6627%0.274SS*.THydrogen-bonded Turntrans-126.923.8178.600000113P54P54-G56 PolarHBondContact O-N 2.72Å
57L84.9Confident89Confident47 Ų4755 Ų5525%0.24628%0.28CS..  trans-107.3128162.6-62.5-172.8000107.9I53 P54 D61 L62 H86 L113I53-L57 HydrophobicContact CG2-CB 4.45Å; P54-L57 HydrophobicContact CB-CD1 4.47Å; P54-L57 HydrophobicContact CB-CG 4.2Å; P54-L57 HydrophobicContact CG-CD1 3.81Å; P54-L57 HydrophobicContact CG-CG 4.08Å; P54-L57 PolarHBondContact O-N 2.66Å; L57-D61 HydrophobicContact CB-CB 4.17Å; L57-D61 HydrophobicContact CD2-CB 3.95Å; L57-L62 HydrophobicContact CB-CD2 4.24Å; L57-L62 HydrophobicContact CB-CG 4.25Å; L57-L62 HydrophobicContact CD1-CD2 4.2Å; L57-H86 PolarHBondContact O-CD2 2.92Å; L57-H86 PolarHBondContact O-NE2 2.82Å; L57-L113 HydrophobicContact CD1-CD1 4.43Å
58D88.7Confident89.2Confident69 Ų6958.8 Ų58.837%0.36930%0.299SS..  trans-103.4-178.8179.7-82.1-56000111.4Q60 D61 L62 K79D58-Q60 PolarHBondContact O-N 3.18Å; D58-D61 PolarHBondContact N-OD2 3.35Å; D58-D61 PolarHBondContact O-N 3.06Å; D58-L62 VanDerWaalsContact O-CG 3.31Å; D58-L62 WeakPolarHBondContact O-CG 3.29Å; D58-L62 PolarHBondContact O-N 2.83Å; D58-L62 VanDerWaalsContact O-N 3.15Å; D58-K79 WeakPolarHBondContact OD1-CE 3.32Å; D58-K79 IonicContact OD1-NZ 2.66Å; D58-K79 PolarHBondContact OD1-NZ 3.5Å
59E89.3Confident89.2Confident56 Ų5660.5 Ų60.526%0.26231%0.306SS..Hα-helixtrans-50.9-33.3178.6-72.483.6172.700113.1K63 L75 V77 K79E59-K63 VanDerWaalsContact O-CB 3.31Å; E59-K63 WeakPolarHBondContact O-CB 3.41Å; E59-K63 PolarHBondContact O-N 3.1Å; E59-L75 HydrophobicContact CG-CG 4.42Å; E59-V77 HydrophobicContact CG-CB 4.44Å; E59-V77 HydrophobicContact CG-CG2 3.96Å; E59-V77 VanDerWaalsContact OE1-CB 3.31Å; E59-V77 WeakPolarHBondContact OE1-CB 3.41Å; E59-V77 PolarHBondContact OE1-N 3.15Å; E59-K79 IonicContact OE1-NZ 3.72Å; E59-K79 IonicContact OE2-NZ 2.72Å; E59-K79 PolarHBondContact OE2-NZ 3.34Å
60Q89.1Confident89Confident171 Ų17158.1 Ų58.180%0.79930%0.302SS*.Hα-helixtrans-72.9-39.8-178.2-60.9-166.228.200113.1D58 L62 P64D58-Q60 PolarHBondContact O-N 3.18Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; Q60-P64 WeakPolarHBondContact O-CD 3.22Å
61D88.9Confident88.9Confident88 Ų8866.3 Ų66.347%0.47133%0.333SS..Hα-helixtrans-72.4-33.6178.2-46.7-75.4000111.5L57 D58 P64L57-D61 HydrophobicContact CB-CB 4.17Å; L57-D61 HydrophobicContact CD2-CB 3.95Å; D58-D61 PolarHBondContact N-OD2 3.35Å; D58-D61 PolarHBondContact O-N 3.06Å; D61-P64 WeakPolarHBondContact O-CD 3.21Å
62L88.9Confident88.8Confident1 Ų166.9 Ų66.91%0.00534%0.335CS..Hα-helixtrans-79.1-32.8-179.3-64.6169000112.3I53 L57 D58 Q60 L65 F66 L75 V77I53-L62 HydrophobicContact CD1-CD1 4.08Å; I53-L62 HydrophobicContact CG2-CD1 3.97Å; I53-L62 HydrophobicContact CG2-CD2 3.88Å; L57-L62 HydrophobicContact CB-CD2 4.24Å; L57-L62 HydrophobicContact CB-CG 4.25Å; L57-L62 HydrophobicContact CD1-CD2 4.2Å; D58-L62 VanDerWaalsContact O-CG 3.31Å; D58-L62 WeakPolarHBondContact O-CG 3.29Å; D58-L62 PolarHBondContact O-N 2.83Å; D58-L62 VanDerWaalsContact O-N 3.15Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; L62-L65 WeakPolarHBondContact O-CB 3.35Å; L62-L65 PolarHBondContact O-N 3.32Å; L62-F66 HydrophobicContact CB-CD2 4.27Å; L62-F66 HydrophobicContact CB-CE2 4.18Å; L62-F66 HydrophobicContact CD2-CE2 4.36Å; L62-F66 WeakPolarHBondContact O-CD2 3.26Å; L62-F66 PolarHBondContact O-N 3.05Å; L62-L75 HydrophobicContact CB-CD2 3.98Å; L62-V77 HydrophobicContact CD1-CG2 3.77Å
63K89.9Confident88.7Confident88 Ų8869.1 Ų69.138%0.38334%0.341SS..Hα-helixtrans-50.8-54.9-179.1-165.5-179-175.7-98.20113.6E59 L65 F66 E67 I72 L75E59-K63 VanDerWaalsContact O-CB 3.31Å; E59-K63 WeakPolarHBondContact O-CB 3.41Å; E59-K63 PolarHBondContact O-N 3.1Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 3.08Å; K63-F66 PolarHBondContact O-N 2.69Å; K63-F66 VanDerWaalsContact O-N 3.08Å; K63-E67 IonicContact NZ-OE1 2.79Å; K63-E67 PolarHBondContact NZ-OE1 2.97Å; K63-E67 IonicContact NZ-OE2 2.69Å; K63-E67 PolarHBondContact NZ-OE2 3.31Å; K63-E67 VanDerWaalsContact O-CB 3.29Å; K63-E67 WeakPolarHBondContact O-CB 3.2Å; K63-E67 PolarHBondContact O-N 2.79Å; K63-I72 HydrophobicContact CG-CD1 3.83Å; K63-I72 WeakPolarHBondContact O-CD1 3.21Å; K63-L75 HydrophobicContact CB-CD2 4.2Å
64P91.4Very high88.5Confident83 Ų8372.2 Ų72.254%0.53936%0.356SS..Hα-helixtrans-63.8-31.9-177.825.7-35.1000113.1Q60 D61 F66Q60-P64 WeakPolarHBondContact O-CD 3.22Å; D61-P64 WeakPolarHBondContact O-CD 3.21Å; P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 3.38Å
65L89.5Confident88.7Confident25 Ų2572.7 Ų72.713%0.13136%0.357CS..Hα-helixtrans-64.5-29.4175.4173.965.2000112.7L62 K63 F69 L107 K111 L113L62-L65 WeakPolarHBondContact O-CB 3.35Å; L62-L65 PolarHBondContact O-N 3.32Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 3.08Å; L65-F69 WeakPolarHBondContact O-CE2 3.38Å; L65-L107 HydrophobicContact CD1-CD2 4.47Å; L65-K111 HydrophobicContact CD1-CD 4.03Å; L65-L113 HydrophobicContact CD2-CD2 3.79Å
66F90.5Very high89Confident0 Ų067 Ų670%034%0.342CS..Hα-helixtrans-97.9-29.1-180-71.2-63.5000113.2V50 L62 K63 P64 E68 F69 I72 L92 Y94 L107 I120 V122V50-F66 HydrophobicContact CB-CZ 4.4Å; V50-F66 HydrophobicContact CG1-CE1 4.37Å; V50-F66 HydrophobicContact CG1-CE2 4.33Å; V50-F66 HydrophobicContact CG1-CZ 3.58Å; V50-F66 HydrophobicContact CG2-CE1 4.23Å; V50-F66 HydrophobicContact CG2-CZ 3.98Å; L62-F66 HydrophobicContact CB-CD2 4.27Å; L62-F66 HydrophobicContact CB-CE2 4.18Å; L62-F66 HydrophobicContact CD2-CE2 4.36Å; L62-F66 WeakPolarHBondContact O-CD2 3.26Å; L62-F66 PolarHBondContact O-N 3.05Å; K63-F66 PolarHBondContact O-N 2.69Å; K63-F66 VanDerWaalsContact O-N 3.08Å; P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 3.38Å; F66-E68 PolarHBondContact O-N 2.86Å; F66-F69 PolarHBondContact O-N 3.01Å; F66-F69 VanDerWaalsContact O-N 3.12Å; F66-I72 HydrophobicContact CB-CD1 3.73Å; F66-I72 HydrophobicContact CB-CG1 4.45Å; F66-L92 HydrophobicContact CB-CD1 4.27Å; F66-L92 HydrophobicContact CB-CD2 3.85Å; F66-L92 HydrophobicContact CD1-CD2 3.27Å; F66-L92 HydrophobicContact CD2-CD2 4.05Å; F66-L92 HydrophobicContact CE1-CD2 3.78Å; F66-L92 HydrophobicContact CG-CD1 4.48Å; F66-L92 HydrophobicContact CG-CD2 3.44Å; F66-L92 VanDerWaalsContact CG-CD2 3.44Å; F66-L92 HydrophobicContact CZ-CD2 4.4Å; F66-Y94 WeakPolarHBondContact CB-OH 3.15Å; F66-Y94 VanDerWaalsContact O-CE1 3.32Å; F66-Y94 WeakPolarHBondContact O-CE1 3.14Å; F66-Y94 PolarHBondContact O-OH 3.32Å; F66-L107 HydrophobicContact CD1-CD1 3.62Å; F66-L107 HydrophobicContact CE1-CD1 3.32Å; F66-L107 HydrophobicContact CZ-CD1 4.33Å; F66-I120 HydrophobicContact CE1-CD1 4.47Å; F66-I120 HydrophobicContact CZ-CD1 3.77Å; F66-V122 HydrophobicContact CE1-CG2 4.27Å
67E91.5Very high89.4Confident78 Ų7864.3 Ų64.336%0.36431%0.313SS..Hα-helixtrans-68.3-21.5-178.2-163.5153.3-138.400112.3K63 F69 G70 I72K63-E67 IonicContact NZ-OE1 2.79Å; K63-E67 PolarHBondContact NZ-OE1 2.97Å; K63-E67 IonicContact NZ-OE2 2.69Å; K63-E67 PolarHBondContact NZ-OE2 3.31Å; K63-E67 VanDerWaalsContact O-CB 3.29Å; K63-E67 WeakPolarHBondContact O-CB 3.2Å; K63-E67 PolarHBondContact O-N 2.79Å; E67-F69 PolarHBondContact O-N 3.48Å; E67-G70 PolarHBondContact O-N 3.38Å; E67-I72 HydrophobicContact CB-CD1 4.03Å; E67-I72 HydrophobicContact CB-CG1 4.48Å
68E91.3Very high89.6Confident141 Ų14164.4 Ų64.466%0.65931%0.313SS*.THydrogen-bonded Turntrans-51.9-35167.1-172.3178.218000113.1F66F66-E68 PolarHBondContact O-N 2.86Å
69F90.9Very high89.5Confident36 Ų3664.9 Ų64.916%0.15831%0.312CS..THydrogen-bonded Turntrans-89.3-6-179.9-54.9-75.5000113.5L65 F66 E67 Y94 S99 K102 A103 A106 L107L65-F69 WeakPolarHBondContact O-CE2 3.38Å; F66-F69 PolarHBondContact O-N 3.01Å; F66-F69 VanDerWaalsContact O-N 3.12Å; E67-F69 PolarHBondContact O-N 3.48Å; F69-Y94 HydrophobicContact CB-CE1 4.39Å; F69-S99 WeakPolarHBondContact O-CA 3.44Å; F69-S99 WeakPolarHBondContact O-CB 3.34Å; F69-S99 PolarHBondContact O-OG 3.42Å; F69-K102 HydrophobicContact CD1-CB 4.4Å; F69-A103 HydrophobicContact CB-CB 3.84Å; F69-A103 HydrophobicContact CD2-CB 4.07Å; F69-A103 HydrophobicContact CG-CB 3.89Å; F69-A106 HydrophobicContact CD1-CB 4.1Å; F69-A106 HydrophobicContact CE1-CB 3.31Å; F69-A106 HydrophobicContact CZ-CB 3.79Å; F69-L107 HydrophobicContact CD2-CD1 4.13Å; F69-L107 HydrophobicContact CE2-CD1 3.65Å; F69-L107 HydrophobicContact CE2-CD2 3.96Å; F69-L107 HydrophobicContact CE2-CG 3.81Å; F69-L107 HydrophobicContact CZ-CD1 4.36Å; F69-L107 HydrophobicContact CZ-CD2 4.01Å; F69-L107 HydrophobicContact CZ-CG 4.01Å
70G89.2Confident89.1Confident21 Ų2164 Ų6422%0.21631%0.309CS..SBendtrans135-179.4172.500000113.9E67 I72 Y94 S99E67-G70 PolarHBondContact O-N 3.38Å; G70-I72 PolarHBondContact O-N 3.43Å; G70-Y94 WeakPolarHBondContact O-CD1 3.3Å; G70-Y94 WeakPolarHBondContact O-CE1 3.41Å; G70-S99 WeakPolarHBondContact CA-OG 3.41Å
71R89.3Confident88.5Confident173 Ų17367.6 Ų67.665%0.65332%0.315SS*.  trans-64.7118.8-170.4-168.1-179.5-68-170.6-0.8111.9C95R71-C95 HydrophobicContact CB-CB 4.42Å; R71-C95 PolarHBondContact O-N 3.41Å; R71-C95 PolarHBondContact O-SG 2.72Å
72I90.7Very high87.3Confident16 Ų1668.9 Ų68.98%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-73.9134.8173.7-60.1172.3000109.1K63 F66 E67 G70 L75 L92 Y94K63-I72 HydrophobicContact CG-CD1 3.83Å; K63-I72 WeakPolarHBondContact O-CD1 3.21Å; F66-I72 HydrophobicContact CB-CD1 3.73Å; F66-I72 HydrophobicContact CB-CG1 4.45Å; E67-I72 HydrophobicContact CB-CD1 4.03Å; E67-I72 HydrophobicContact CB-CG1 4.48Å; G70-I72 PolarHBondContact O-N 3.43Å; I72-L75 HydrophobicContact CG2-CB 4.03Å; I72-L92 HydrophobicContact CD1-CD1 4.17Å; I72-L92 HydrophobicContact CG1-CD1 4.02Å; I72-L92 HydrophobicContact CG2-CD1 3.82Å; I72-Y94 HydrophobicContact CG1-CD1 4.3Å; I72-Y94 HydrophobicContact CG1-CE1 4.02Å
73Y86.3Confident86.8Confident102 Ų10271.2 Ų71.240%0.434%0.336SS..EExtended strand (participates in β ladder)trans-91.9-45.4170.2174.1-98.5000111.1P39 K41 T93P39-Y73 HydrophobicContact CG-CD2 4.23Å; P39-Y73 WeakPolarHBondContact O-CD2 3.48Å; P39-Y73 WeakPolarHBondContact O-CE2 3.49Å; K41-Y73 HydrophobicContact CB-CD1 4.39Å; K41-Y73 HydrophobicContact CB-CD2 3.75Å; K41-Y73 HydrophobicContact CB-CE1 4.28Å; K41-Y73 HydrophobicContact CB-CE2 3.64Å; K41-Y73 HydrophobicContact CB-CG 4.14Å; K41-Y73 HydrophobicContact CD-CD1 3.87Å; K41-Y73 HydrophobicContact CD-CE1 3.78Å; K41-Y73 HydrophobicContact CD-CG 4.35Å; K41-Y73 HydrophobicContact CG-CD1 4.34Å; K41-Y73 HydrophobicContact CG-CD2 4.43Å; K41-Y73 HydrophobicContact CG-CE1 4.45Å; K41-Y73 HydrophobicContact CG-CG 4.32Å; Y73-T93 WeakPolarHBondContact CB-O 3.49Å; Y73-T93 HydrophobicContact CD1-CG2 4Å; Y73-T93 PolarHBondContact N-O 3.03Å
74E86.8Confident86.2Confident66 Ų6669.5 Ų69.531%0.30834%0.343SS..EExtended strand (participates in β ladder)trans-147.5130.2-177.2173.4-161.4-124.400108.4K47 L92 T93K47-E74 VanDerWaalsContact CE-OE2 3.29Å; K47-E74 WeakPolarHBondContact CE-OE2 3.16Å; K47-E74 VanDerWaalsContact NZ-CD 3.31Å; K47-E74 IonicContact NZ-OE1 2.69Å; K47-E74 PolarHBondContact NZ-OE1 3.19Å; K47-E74 IonicContact NZ-OE2 2.64Å; K47-E74 PolarHBondContact NZ-OE2 3.45Å; E74-L92 CarbonylContact O-C 3.59Å; E74-T93 PolarHBondContact N-O 3.23Å; E74-T93 VanDerWaalsContact N-O 3.11Å; E74-T93 PolarHBondContact O-N 3.46Å; E74-T93 PolarHBondContact OE2-OG1 3.18Å
75L90.7Very high85.5Confident27 Ų2770.1 Ų70.114%0.14134%0.341CS..EExtended strand (participates in β ladder)trans-128.8127.7167.5171.859000106.8E59 L62 K63 I72 A90 L92E59-L75 HydrophobicContact CG-CG 4.42Å; L62-L75 HydrophobicContact CB-CD2 3.98Å; K63-L75 HydrophobicContact CB-CD2 4.2Å; I72-L75 HydrophobicContact CG2-CB 4.03Å; L75-A90 HydrophobicContact CD1-CB 4.18Å; L75-L92 HydrophobicContact CB-CD1 4.29Å; L75-L92 HydrophobicContact CD1-CB 4.24Å; L75-L92 HydrophobicContact CD1-CD1 4.22Å
76T89.9Confident85.4Confident56 Ų5669.2 Ų69.234%0.34434%0.336SS..EExtended strand (participates in β ladder)trans-140.1114.8-176.6-49.90000108.9A90 F91T76-A90 CarbonylContact O-C 3.53Å; T76-A90 VanDerWaalsContact O-CA 3.3Å; T76-A90 WeakPolarHBondContact O-CA 3.44Å; T76-A90 WeakPolarHBondContact O-CB 3.26Å; T76-F91 PolarHBondContact N-O 3.17Å; T76-F91 PolarHBondContact O-N 3.11Å
77V90.4Very high85.2Confident6 Ų674.1 Ų74.14%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-70.1134.7172.4170.60000108.9E59 L62 K79 H86 A90E59-V77 HydrophobicContact CG-CB 4.44Å; E59-V77 HydrophobicContact CG-CG2 3.96Å; E59-V77 VanDerWaalsContact OE1-CB 3.31Å; E59-V77 WeakPolarHBondContact OE1-CB 3.41Å; E59-V77 PolarHBondContact OE1-N 3.15Å; L62-V77 HydrophobicContact CD1-CG2 3.77Å; V77-K79 VanDerWaalsContact C-N 3.34Å; V77-K79 HydrophobicContact CB-CG 4.34Å; V77-K79 HydrophobicContact CG1-CD 4.38Å; V77-K79 HydrophobicContact CG1-CG 3.75Å; V77-K79 PolarHBondContact O-N 2.92Å; V77-H86 WeakPolarHBondContact CG1-CD2 3.48Å; V77-H86 VanDerWaalsContact CG1-NE2 3.26Å; V77-H86 WeakPolarHBondContact CG1-NE2 3.4Å; V77-A90 HydrophobicContact CG2-CB 4.31Å
78L87.5Confident85.1Confident49 Ų4971.2 Ų71.226%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-78.589.9172.7-111.262.7000109.2K87 C89 F91L78-K87 HydrophobicContact CB-CB 4.47Å; L78-K87 HydrophobicContact CB-CD 4.36Å; L78-K87 WeakPolarHBondContact O-CB 3.5Å; L78-K87 VanDerWaalsContact O-CG 3.24Å; L78-K87 WeakPolarHBondContact O-CG 3.43Å; L78-K87 PolarHBondContact O-N 3.45Å; L78-C89 WeakPolarHBondContact CB-O 3.33Å; L78-C89 PolarHBondContact N-O 3.27Å; L78-F91 HydrophobicContact CD1-CD2 3.34Å; L78-F91 HydrophobicContact CD1-CE2 3.58Å; L78-F91 HydrophobicContact CD1-CG 4.35Å; L78-F91 HydrophobicContact CD2-CD2 4.44Å; L78-F91 HydrophobicContact CD2-CE2 3.92Å; L78-F91 HydrophobicContact CD2-CZ 4.49Å; L78-F91 HydrophobicContact CG-CE2 4.42Å
79K87.3Confident85Confident80 Ų8065.1 Ų65.135%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-84146.8172.4-65.1172.5178.21590109.5D58 E59 V77 R81D58-K79 WeakPolarHBondContact OD1-CE 3.32Å; D58-K79 IonicContact OD1-NZ 2.66Å; D58-K79 PolarHBondContact OD1-NZ 3.5Å; E59-K79 IonicContact OE1-NZ 3.72Å; E59-K79 IonicContact OE2-NZ 2.72Å; E59-K79 PolarHBondContact OE2-NZ 3.34Å; V77-K79 VanDerWaalsContact C-N 3.34Å; V77-K79 HydrophobicContact CB-CG 4.34Å; V77-K79 HydrophobicContact CG1-CD 4.38Å; V77-K79 HydrophobicContact CG1-CG 3.75Å; V77-K79 PolarHBondContact O-N 2.92Å; K79-R81 PolarHBondContact O-N 2.73Å
80D80.4Confident85.1Confident37 Ų3763.4 Ų63.420%0.19831%0.314CS..  trans-74.5121.8172.8-174.9-101.8000110L82 T83 G84 L85 K87D80-L82 PolarHBondContact O-N 2.81Å; D80-L82 PolarHBondContact OD1-N 3.23Å; D80-T83 WeakPolarHBondContact CB-OG1 3.38Å; D80-T83 VanDerWaalsContact CG-OG1 3.32Å; D80-T83 PolarHBondContact O-N 3.34Å; D80-T83 PolarHBondContact OD1-N 2.98Å; D80-T83 PolarHBondContact OD1-OG1 3.17Å; D80-G84 WeakPolarHBondContact O-CA 3.44Å; D80-G84 PolarHBondContact O-N 2.84Å; D80-L85 WeakPolarHBondContact CB-O 3.48Å; D80-L85 PolarHBondContact N-O 2.98Å; D80-K87 HydrophobicContact CB-CG 4.33Å; D80-K87 IonicContact OD2-NZ 2.76Å; D80-K87 PolarHBondContact OD2-NZ 3.49Å
81R76.4Confident85.3Confident247 Ų24765.1 Ų65.193%0.93232%0.316SS*.THydrogen-bonded Turntrans-64.4-23.5-171.7-175.2174.4176.2-172.2-1.3113.7K79K79-R81 PolarHBondContact O-N 2.73Å
82L64.4Low85.4Confident114 Ų11456.9 Ų56.960%0.59728%0.284SS*.THydrogen-bonded Turntrans-90.2-49.2-179.3-58.9171000110.8D80 E394D80-L82 PolarHBondContact O-N 2.81Å; D80-L82 PolarHBondContact OD1-N 3.23Å; L82-E394 HydrophobicContact CD2-CG 4.32Å
83T78.9Confident85.3Confident51 Ų5156.1 Ų56.131%0.31328%0.281SS..THydrogen-bonded Turntrans-97.2-3.2-173.257.50000114.7D80 L85D80-T83 WeakPolarHBondContact CB-OG1 3.38Å; D80-T83 VanDerWaalsContact CG-OG1 3.32Å; D80-T83 PolarHBondContact O-N 3.34Å; D80-T83 PolarHBondContact OD1-N 2.98Å; D80-T83 PolarHBondContact OD1-OG1 3.17Å; T83-L85 PolarHBondContact O-N 2.93Å
84G76Confident85.5Confident51 Ų5151.3 Ų51.353%0.52626%0.262SS..  trans68-15.1-172.600000115D80D80-G84 WeakPolarHBondContact O-CA 3.44Å; D80-G84 PolarHBondContact O-N 2.84Å
85L78.1Confident85.4Confident96 Ų9649 Ų4950%0.50325%0.253SS..  trans-68.2134.6-168.8-72.1168.4000113.2D80 T83 K87D80-L85 WeakPolarHBondContact CB-O 3.48Å; D80-L85 PolarHBondContact N-O 2.98Å; T83-L85 PolarHBondContact O-N 2.93Å; L85-K87 PolarHBondContact O-N 3.06Å
86H87.9Confident85.2Confident6 Ų649.5 Ų49.53%0.02826%0.261CS..EExtended strand (participates in β ladder)trans-52.7118.2170.8-171.1-59000111.4I53 R55 L57 V77 G88 C89I53-H86 WeakPolarHBondContact CG2-NE2 3Å; R55-H86 HydrophobicContact CB-CB 4.11Å; R55-H86 WeakPolarHBondContact O-CB 3.49Å; L57-H86 PolarHBondContact O-CD2 2.92Å; L57-H86 PolarHBondContact O-NE2 2.82Å; V77-H86 WeakPolarHBondContact CG1-CD2 3.48Å; V77-H86 VanDerWaalsContact CG1-NE2 3.26Å; V77-H86 WeakPolarHBondContact CG1-NE2 3.4Å; H86-G88 WeakPolarHBondContact ND1-CA 3.39Å; H86-G88 PolarHBondContact ND1-N 2.77Å; H86-G88 PolarHBondContact O-N 3.22Å; H86-C89 PolarHBondContact CE1-N 2.83Å
87K85.9Confident85Confident104 Ų10452.1 Ų52.145%0.45226%0.264SS..EExtended strand (participates in β ladder)trans-70.8-11.5-177-68.9-178178.9-65.20114.4L78 D80 L85L78-K87 HydrophobicContact CB-CB 4.47Å; L78-K87 HydrophobicContact CB-CD 4.36Å; L78-K87 WeakPolarHBondContact O-CB 3.5Å; L78-K87 VanDerWaalsContact O-CG 3.24Å; L78-K87 WeakPolarHBondContact O-CG 3.43Å; L78-K87 PolarHBondContact O-N 3.45Å; D80-K87 HydrophobicContact CB-CG 4.33Å; D80-K87 IonicContact OD2-NZ 2.76Å; D80-K87 PolarHBondContact OD2-NZ 3.49Å; L85-K87 PolarHBondContact O-N 3.06Å
88G88Confident84.8Confident16 Ų1656.6 Ų56.617%0.16529%0.288CS..EExtended strand (participates in β ladder)trans100.213.5-17700000113.2Q52 I53 H86Q52-G88 PolarHBondContact N-O 3.29Å; Q52-G88 VanDerWaalsContact N-O 3.07Å; I53-G88 PolarHBondContact N-O 3.11Å; I53-G88 WeakPolarHBondContact O-CA 3.32Å; H86-G88 WeakPolarHBondContact ND1-CA 3.39Å; H86-G88 PolarHBondContact ND1-N 2.77Å; H86-G88 PolarHBondContact O-N 3.22Å
89C90.8Very high85Confident14 Ų1455.1 Ų55.110%0.09528%0.282CS..EExtended strand (participates in β ladder)trans-150.8164.1-179.155.50000112.8F49 V50 L78 H86F49-C89 HydrophobicContact CE1-CB 4.26Å; F49-C89 HydrophobicContact CE2-CB 3.55Å; F49-C89 HydrophobicContact CZ-CB 3.39Å; V50-C89 CarbonylContact O-C 3.46Å; V50-C89 WeakPolarHBondContact O-CA 3.5Å; V50-C89 WeakPolarHBondContact O-CB 3.31Å; L78-C89 WeakPolarHBondContact CB-O 3.33Å; L78-C89 PolarHBondContact N-O 3.27Å; H86-C89 PolarHBondContact CE1-N 2.83Å
90A92.3Very high85.1Confident0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-139.2162.8173.900000110.1V50 I53 L75 T76 V77V50-A90 PolarHBondContact N-O 3.26Å; V50-A90 PolarHBondContact O-N 2.83Å; I53-A90 HydrophobicContact CD1-CB 3.6Å; L75-A90 HydrophobicContact CD1-CB 4.18Å; T76-A90 CarbonylContact O-C 3.53Å; T76-A90 VanDerWaalsContact O-CA 3.3Å; T76-A90 WeakPolarHBondContact O-CA 3.44Å; T76-A90 WeakPolarHBondContact O-CB 3.26Å; V77-A90 HydrophobicContact CG2-CB 4.31Å
91F92.8Very high85.5Confident57 Ų5753 Ų5325%0.2527%0.274CS..EExtended strand (participates in β ladder)trans-104.6143.2159.8-70.3-64.7000110.5K47 L48 F49 T76 L78 A125K47-F91 HydrophobicContact CD-CB 4.49Å; K47-F91 HydrophobicContact CG-CB 4.39Å; K47-F91 HydrophobicContact CG-CD1 4.47Å; L48-F91 WeakPolarHBondContact O-CA 3.41Å; F49-F91 HydrophobicContact CB-CD1 4.21Å; F49-F91 HydrophobicContact CB-CE1 4.07Å; F49-F91 HydrophobicContact CD2-CD1 4.19Å; F49-F91 AromaticContact CD2-CE1 3.75Å; F49-F91 HydrophobicContact CD2-CE1 3.75Å; F49-F91 HydrophobicContact CD2-CZ 4.28Å; F49-F91 HydrophobicContact CG-CE1 4.42Å; T76-F91 PolarHBondContact N-O 3.17Å; T76-F91 PolarHBondContact O-N 3.11Å; L78-F91 HydrophobicContact CD1-CD2 3.34Å; L78-F91 HydrophobicContact CD1-CE2 3.58Å; L78-F91 HydrophobicContact CD1-CG 4.35Å; L78-F91 HydrophobicContact CD2-CD2 4.44Å; L78-F91 HydrophobicContact CD2-CE2 3.92Å; L78-F91 HydrophobicContact CD2-CZ 4.49Å; L78-F91 HydrophobicContact CG-CE2 4.42Å; F91-A125 HydrophobicContact CD1-CB 3.96Å; F91-A125 HydrophobicContact CE1-CB 3.76Å
92L92.1Very high86.3Confident0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-134.8122-177.2170.663.8000109.7L48 V50 F66 I72 E74 L75 Y94L48-L92 HydrophobicContact CB-CB 4.44Å; L48-L92 WeakPolarHBondContact CB-O 3.38Å; L48-L92 HydrophobicContact CD1-CD2 4.35Å; L48-L92 PolarHBondContact N-O 3.33Å; L48-L92 PolarHBondContact O-N 3.21Å; V50-L92 HydrophobicContact CG2-CB 4.01Å; V50-L92 HydrophobicContact CG2-CD2 4.25Å; F66-L92 HydrophobicContact CB-CD1 4.27Å; F66-L92 HydrophobicContact CB-CD2 3.85Å; F66-L92 HydrophobicContact CD1-CD2 3.27Å; F66-L92 HydrophobicContact CD2-CD2 4.05Å; F66-L92 HydrophobicContact CE1-CD2 3.78Å; F66-L92 HydrophobicContact CG-CD1 4.48Å; F66-L92 HydrophobicContact CG-CD2 3.44Å; F66-L92 VanDerWaalsContact CG-CD2 3.44Å; F66-L92 HydrophobicContact CZ-CD2 4.4Å; I72-L92 HydrophobicContact CD1-CD1 4.17Å; I72-L92 HydrophobicContact CG1-CD1 4.02Å; I72-L92 HydrophobicContact CG2-CD1 3.82Å; E74-L92 CarbonylContact O-C 3.59Å; L75-L92 HydrophobicContact CB-CD1 4.29Å; L75-L92 HydrophobicContact CD1-CB 4.24Å; L75-L92 HydrophobicContact CD1-CD1 4.22Å; L92-Y94 HydrophobicContact CD1-CE2 4.39Å; L92-Y94 HydrophobicContact CD2-CD2 4.4Å; L92-Y94 HydrophobicContact CD2-CE2 3.54Å; L92-Y94 HydrophobicContact CG-CD2 4.25Å; L92-Y94 HydrophobicContact CG-CE2 3.86Å
93T89.3Confident87.6Confident0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-114121.8173.4-53.80000108.2K41 K47 Y73 E74K41-T93 HydrophobicContact CD-CG2 4.26Å; K47-T93 WeakPolarHBondContact CG-OG1 3.42Å; Y73-T93 WeakPolarHBondContact CB-O 3.49Å; Y73-T93 HydrophobicContact CD1-CG2 4Å; Y73-T93 PolarHBondContact N-O 3.03Å; E74-T93 PolarHBondContact N-O 3.23Å; E74-T93 VanDerWaalsContact N-O 3.11Å; E74-T93 PolarHBondContact O-N 3.46Å; E74-T93 PolarHBondContact OE2-OG1 3.18Å
94Y90.2Very high88.2Confident0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans-84.3159.9169.5-74.4-82.2000111.2A45 L48 F66 F69 G70 I72 L92 A96 A100 A103A45-Y94 WeakPolarHBondContact CB-O 3.43Å; L48-Y94 HydrophobicContact CD1-CD2 4.08Å; L48-Y94 HydrophobicContact CD1-CE2 3.85Å; F66-Y94 WeakPolarHBondContact CB-OH 3.15Å; F66-Y94 VanDerWaalsContact O-CE1 3.32Å; F66-Y94 WeakPolarHBondContact O-CE1 3.14Å; F66-Y94 PolarHBondContact O-OH 3.32Å; F69-Y94 HydrophobicContact CB-CE1 4.39Å; G70-Y94 WeakPolarHBondContact O-CD1 3.3Å; G70-Y94 WeakPolarHBondContact O-CE1 3.41Å; I72-Y94 HydrophobicContact CG1-CD1 4.3Å; I72-Y94 HydrophobicContact CG1-CE1 4.02Å; L92-Y94 HydrophobicContact CD1-CE2 4.39Å; L92-Y94 HydrophobicContact CD2-CD2 4.4Å; L92-Y94 HydrophobicContact CD2-CE2 3.54Å; L92-Y94 HydrophobicContact CG-CD2 4.25Å; L92-Y94 HydrophobicContact CG-CE2 3.86Å; Y94-A96 VanDerWaalsContact C-N 3.26Å; Y94-A96 WeakPolarHBondContact CB-O 3.49Å; Y94-A96 PolarHBondContact O-N 2.88Å; Y94-A100 VanDerWaalsContact CD2-CA 3.48Å; Y94-A100 HydrophobicContact CD2-CB 3.83Å; Y94-A103 HydrophobicContact CE2-CB 3.54Å; Y94-A103 VanDerWaalsContact OH-CB 3.25Å; Y94-A103 WeakPolarHBondContact OH-CB 3.17Å
95C85.1Confident88.9Confident18 Ų1844 Ų4412%0.12223%0.231CC..SBendtrans-67.1-30173.2-59.20000112.1D42 R71D42-C95 WeakPolarHBondContact CB-O 3.37Å; D42-C95 PolarHBondContact N-O 2.9Å; R71-C95 HydrophobicContact CB-CB 4.42Å; R71-C95 PolarHBondContact O-N 3.41Å; R71-C95 PolarHBondContact O-SG 2.72Å
96A85.8Confident89.4Confident38 Ų3841.6 Ų41.631%0.31423%0.225SC..SBendtrans-130.8150.8-177.100000112.1Y94 S99Y94-A96 VanDerWaalsContact C-N 3.26Å; Y94-A96 WeakPolarHBondContact CB-O 3.49Å; Y94-A96 PolarHBondContact O-N 2.88Å; A96-S99 PolarHBondContact O-N 3.12Å
97R84.8Confident89.6Confident110 Ų11041.5 Ų41.542%0.41523%0.225SC..Hα-helixtrans-61.4-43.6-178.8178.2164.8175.5172.7-1.6113.6D44 I46 S99 A100 L101D44-R97 VanDerWaalsContact CG-CD 3.41Å; D44-R97 VanDerWaalsContact CG-NH1 3.28Å; D44-R97 IonicContact OD1-CZ 3.14Å; D44-R97 IonicContact OD1-NH1 3.77Å; D44-R97 PolarHBondContact OD1-NH1 3.25Å; D44-R97 WeakPolarHBondContact OD2-CD 3.33Å; D44-R97 IonicContact OD2-CZ 2.77Å; D44-R97 IonicContact OD2-NE 2.61Å; D44-R97 IonicContact OD2-NH1 3.7Å; D44-R97 PolarHBondContact OD2-NH1 3.42Å; I46-R97 HydrophobicContact CD1-CG 3.81Å; I46-R97 HydrophobicContact CG1-CG 4.25Å; R97-S99 VanDerWaalsContact C-N 3.26Å; R97-S99 PolarHBondContact O-N 3.31Å; R97-A100 WeakPolarHBondContact O-CA 3.24Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.48Å; R97-L101 HydrophobicContact CG-CD1 4Å; R97-L101 HydrophobicContact CG-CG 4.29Å; R97-L101 PolarHBondContact O-N 3.02Å
98D86.9Confident89.8Confident101 Ų10138.6 Ų38.654%0.5421%0.213SC..Hα-helixtrans-59.6-36.1-178.1-62.5-90.7000113L101 K102D98-L101 PolarHBondContact O-N 3.48Å; D98-K102 WeakPolarHBondContact O-CB 3.34Å; D98-K102 WeakPolarHBondContact O-CD 3.04Å; D98-K102 WeakPolarHBondContact O-CG 3.2Å; D98-K102 PolarHBondContact O-N 3.38Å
99S91.8Very high89.9Confident17 Ų1742.2 Ų42.212%0.11923%0.226CC..Hα-helixtrans-65.9-38.6174.2-70.40000112.1F69 G70 A96 R97 A103F69-S99 WeakPolarHBondContact O-CA 3.44Å; F69-S99 WeakPolarHBondContact O-CB 3.34Å; F69-S99 PolarHBondContact O-OG 3.42Å; G70-S99 WeakPolarHBondContact CA-OG 3.41Å; A96-S99 PolarHBondContact O-N 3.12Å; R97-S99 VanDerWaalsContact C-N 3.26Å; R97-S99 PolarHBondContact O-N 3.31Å; S99-A103 VanDerWaalsContact O-CB 3.24Å; S99-A103 WeakPolarHBondContact O-CB 3.43Å; S99-A103 PolarHBondContact O-N 3.18Å
100A89.1Confident89.7Confident1 Ų148.2 Ų48.21%0.00825%0.252CS..Hα-helixtrans-65.8-40.8174.800000112.1I46 L48 Y94 R97 Q104I46-A100 HydrophobicContact CB-CB 3.98Å; I46-A100 HydrophobicContact CG2-CB 4.4Å; L48-A100 HydrophobicContact CD1-CB 3.98Å; L48-A100 HydrophobicContact CD2-CB 4.3Å; L48-A100 HydrophobicContact CG-CB 4.17Å; Y94-A100 VanDerWaalsContact CD2-CA 3.48Å; Y94-A100 HydrophobicContact CD2-CB 3.83Å; R97-A100 WeakPolarHBondContact O-CA 3.24Å; R97-A100 WeakPolarHBondContact O-CB 3.45Å; R97-A100 PolarHBondContact O-N 3.48Å; A100-Q104 WeakPolarHBondContact O-CB 3.29Å; A100-Q104 PolarHBondContact O-N 3.19Å
101L89.2Confident89.4Confident72 Ų7252.4 Ų52.438%0.37727%0.27SS..Hα-helixtrans-67.9-43.4176.2-65175.5000112R97 D98 Q104 S105R97-L101 HydrophobicContact CG-CD1 4Å; R97-L101 HydrophobicContact CG-CG 4.29Å; R97-L101 PolarHBondContact O-N 3.02Å; D98-L101 PolarHBondContact O-N 3.48Å; L101-Q104 PolarHBondContact O-N 3.31Å; L101-S105 PolarHBondContact O-N 3.36Å; L101-S105 PolarHBondContact O-OG 2.98Å
102K92.3Very high89.1Confident126 Ų12653.6 Ų53.655%0.54828%0.282SS..Hα-helixtrans-60.5-48175-73.6165.9-173.4176.30111.5F69 D98 Q104 S105 A106F69-K102 HydrophobicContact CD1-CB 4.4Å; D98-K102 WeakPolarHBondContact O-CB 3.34Å; D98-K102 WeakPolarHBondContact O-CD 3.04Å; D98-K102 WeakPolarHBondContact O-CG 3.2Å; D98-K102 PolarHBondContact O-N 3.38Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-Q104 PolarHBondContact O-N 3.05Å; K102-S105 PolarHBondContact O-N 3.18Å; K102-A106 VanDerWaalsContact O-CB 3.24Å; K102-A106 WeakPolarHBondContact O-CB 3.4Å; K102-A106 PolarHBondContact O-N 3.04Å
103A92.2Very high88.9Confident0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-62.1-39.2176.800000112.4L48 F69 Y94 S99 L107L48-A103 HydrophobicContact CD1-CB 4.47Å; F69-A103 HydrophobicContact CB-CB 3.84Å; F69-A103 HydrophobicContact CD2-CB 4.07Å; F69-A103 HydrophobicContact CG-CB 3.89Å; Y94-A103 HydrophobicContact CE2-CB 3.54Å; Y94-A103 VanDerWaalsContact OH-CB 3.25Å; Y94-A103 WeakPolarHBondContact OH-CB 3.17Å; S99-A103 VanDerWaalsContact O-CB 3.24Å; S99-A103 WeakPolarHBondContact O-CB 3.43Å; S99-A103 PolarHBondContact O-N 3.18Å; A103-L107 VanDerWaalsContact O-CB 3.26Å; A103-L107 WeakPolarHBondContact O-CB 3.39Å; A103-L107 PolarHBondContact O-N 2.79Å; A103-L107 VanDerWaalsContact O-N 3.08Å
104Q91.5Very high88.5Confident50 Ų5059.5 Ų59.523%0.23432%0.32CS..Hα-helixtrans-61.6-54.2173.6-175.3179.4-14.200111A100 L101 K102 A106 H108 V122A100-Q104 WeakPolarHBondContact O-CB 3.29Å; A100-Q104 PolarHBondContact O-N 3.19Å; L101-Q104 PolarHBondContact O-N 3.31Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-Q104 PolarHBondContact O-N 3.05Å; Q104-A106 VanDerWaalsContact C-N 3.35Å; Q104-A106 PolarHBondContact O-N 3.24Å; Q104-H108 HydrophobicContact CG-CB 4.33Å; Q104-H108 WeakPolarHBondContact O-CB 3.13Å; Q104-H108 PolarHBondContact O-N 2.94Å; Q104-V122 HydrophobicContact CB-CG1 4.19Å
105S90.3Very high87.9Confident98 Ų9863.3 Ų63.369%0.68536%0.359SS*.Hα-helixtrans-64-35.6-177.5-620000113.8L101 K102L101-S105 PolarHBondContact O-N 3.36Å; L101-S105 PolarHBondContact O-OG 2.98Å; K102-S105 PolarHBondContact O-N 3.18Å
106A90.6Very high87.8Confident46 Ų4664.5 Ų64.538%0.3836%0.363SS..Hα-helixtrans-85-23.1-176.200000114.3F69 K102 Q104 Q110F69-A106 HydrophobicContact CD1-CB 4.1Å; F69-A106 HydrophobicContact CE1-CB 3.31Å; F69-A106 HydrophobicContact CZ-CB 3.79Å; K102-A106 VanDerWaalsContact O-CB 3.24Å; K102-A106 WeakPolarHBondContact O-CB 3.4Å; K102-A106 PolarHBondContact O-N 3.04Å; Q104-A106 VanDerWaalsContact C-N 3.35Å; Q104-A106 PolarHBondContact O-N 3.24Å; A106-Q110 WeakPolarHBondContact O-CB 3.47Å
107L90.6Very high87.7Confident3 Ų370.5 Ų70.52%0.01639%0.39CS..Hα-helixtrans-113.3-30.2-176.4-60176000113.6L65 F66 F69 A103 E109 Q110 K111 I120 V122L65-L107 HydrophobicContact CD1-CD2 4.47Å; F66-L107 HydrophobicContact CD1-CD1 3.62Å; F66-L107 HydrophobicContact CE1-CD1 3.32Å; F66-L107 HydrophobicContact CZ-CD1 4.33Å; F69-L107 HydrophobicContact CD2-CD1 4.13Å; F69-L107 HydrophobicContact CE2-CD1 3.65Å; F69-L107 HydrophobicContact CE2-CD2 3.96Å; F69-L107 HydrophobicContact CE2-CG 3.81Å; F69-L107 HydrophobicContact CZ-CD1 4.36Å; F69-L107 HydrophobicContact CZ-CD2 4.01Å; F69-L107 HydrophobicContact CZ-CG 4.01Å; A103-L107 VanDerWaalsContact O-CB 3.26Å; A103-L107 WeakPolarHBondContact O-CB 3.39Å; A103-L107 PolarHBondContact O-N 2.79Å; A103-L107 VanDerWaalsContact O-N 3.08Å; L107-E109 PolarHBondContact O-N 2.98Å; L107-Q110 PolarHBondContact O-N 3.42Å; L107-Q110 VanDerWaalsContact O-N 3.07Å; L107-K111 HydrophobicContact CD2-CB 4.24Å; L107-K111 HydrophobicContact CD2-CD 3.82Å; L107-I120 HydrophobicContact CB-CG2 3.92Å; L107-I120 WeakPolarHBondContact O-CG2 3.26Å; L107-V122 HydrophobicContact CB-CG2 3.8Å; L107-V122 HydrophobicContact CD1-CG2 4.38Å
108H90.9Very high87.8Confident43 Ų4372.7 Ų72.720%0.19940%0.398CS..THydrogen-bonded Turntrans-62.2109.9-172.7-173.538.7000112.1Q104 Q110 V122 K123Q104-H108 HydrophobicContact CG-CB 4.33Å; Q104-H108 WeakPolarHBondContact O-CB 3.13Å; Q104-H108 PolarHBondContact O-N 2.94Å; H108-Q110 PolarHBondContact O-N 2.9Å; H108-Q110 VanDerWaalsContact O-N 3.07Å; H108-Q110 PolarHBondContact O-NE2 3.43Å; H108-V122 HydrophobicContact CB-CB 4.37Å; H108-V122 WeakPolarHBondContact CB-O 3.42Å; H108-V122 PolarHBondContact ND1-O 3.39Å; H108-K123 WeakPolarHBondContact CE1-CE 3.44Å; H108-K123 WeakPolarHBondContact NE2-CE 3.34Å
109E89.8Confident87.8Confident93 Ų9369.6 Ų69.644%0.43538%0.384SS..THydrogen-bonded Turntrans60.810.6-177.4-63.7177.9175.800114.4L107 P119 I120 Q121L107-E109 PolarHBondContact O-N 2.98Å; E109-P119 HydrophobicContact CB-CG 3.99Å; E109-P119 HydrophobicContact CG-CG 4.18Å; E109-P119 WeakPolarHBondContact O-CB 3.14Å; E109-I120 PolarHBondContact N-O 2.9Å; E109-Q121 HydrophobicContact CG-CG 4.09Å; E109-Q121 PolarHBondContact OE1-NE2 3.11Å
110Q87.1Confident87.8Confident140 Ų14068.8 Ų68.865%0.65438%0.378SS*.THydrogen-bonded Turntrans-91.8-36.4177.7-56.9-50.8-54.600113.9A106 L107 H108A106-Q110 WeakPolarHBondContact O-CB 3.47Å; L107-Q110 PolarHBondContact O-N 3.42Å; L107-Q110 VanDerWaalsContact O-N 3.07Å; H108-Q110 PolarHBondContact O-N 2.9Å; H108-Q110 VanDerWaalsContact O-N 3.07Å; H108-Q110 PolarHBondContact O-NE2 3.43Å
111K84.5Confident87.8Confident88 Ų8871 Ų7138%0.38339%0.388SS..  trans-121.6113.8-168.1-165.4168.3-175.1171.90111.8L65 L107 I120L65-K111 HydrophobicContact CD1-CD 4.03Å; L107-K111 HydrophobicContact CD2-CB 4.24Å; L107-K111 HydrophobicContact CD2-CD 3.82Å; K111-I120 HydrophobicContact CB-CG2 4.23Å; K111-I120 WeakPolarHBondContact O-CB 3.25Å; K111-I120 VanDerWaalsContact O-CG2 3.26Å; K111-I120 WeakPolarHBondContact O-CG2 3.26Å; K111-I120 PolarHBondContact O-N 3.47Å
112T88.2Confident88Confident82 Ų8267.6 Ų67.650%0.50337%0.37SS..PPolyproline II helixtrans-86.3126.4172.8-580000110.3M116 P119T112-M116 HydrophobicContact CG2-CB 4.31Å; T112-M116 WeakPolarHBondContact CG2-O 3.08Å; T112-P119 WeakPolarHBondContact OG1-CA 3.36Å
113L86.4Confident87.9Confident13 Ų1366.3 Ų66.37%0.06837%0.365CS..PPolyproline II helixtrans-81.9150.1177.3-66.8177.1000111.3I53 P54 L57 L65 G115 M116 I120I53-L113 HydrophobicContact CG2-CD1 4.49Å; P54-L113 HydrophobicContact CG-CB 3.71Å; P54-L113 HydrophobicContact CG-CD1 4.38Å; L57-L113 HydrophobicContact CD1-CD1 4.43Å; L65-L113 HydrophobicContact CD2-CD2 3.79Å; L113-G115 PolarHBondContact O-N 3.32Å; L113-M116 HydrophobicContact CB-CG 4.32Å; L113-M116 WeakPolarHBondContact O-CB 3.19Å; L113-M116 PolarHBondContact O-N 2.98Å; L113-I120 HydrophobicContact CD1-CD1 3.82Å; L113-I120 HydrophobicContact CD1-CG1 4.33Å; L113-I120 HydrophobicContact CG-CD1 4.4Å
114P80.9Confident87.6Confident111 Ų11169.8 Ų69.872%0.72139%0.388SS*.THydrogen-bonded Turntrans-53.7130.8-179.2-27.235.6000112.7P54 M116P54-P114 VanDerWaalsContact CG-O 3.26Å; P54-P114 WeakPolarHBondContact CG-O 3.07Å; P114-M116 VanDerWaalsContact C-N 3.34Å
115G77.8Confident87.1Confident79 Ų7968.2 Ų68.281%0.81438%0.383SS*.THydrogen-bonded Turntrans81.11-177.600000115.8L113L113-G115 PolarHBondContact O-N 3.32Å
116M83.9Confident85.7Confident43 Ų4368 Ų6821%0.21239%0.387CS..  trans-98.4138.7174.9-64.2-60.6-59.300112.4Q52 P54 T112 L113 P114 R118Q52-M116 HydrophobicContact CB-CE 3.98Å; Q52-M116 VanDerWaalsContact OE1-CE 3.25Å; P54-M116 HydrophobicContact CB-CG 4.41Å; P54-M116 HydrophobicContact CB-SD 4.44Å; P54-M116 HydrophobicContact CG-CG 3.82Å; P54-M116 HydrophobicContact CG-SD 4.44Å; T112-M116 HydrophobicContact CG2-CB 4.31Å; T112-M116 WeakPolarHBondContact CG2-O 3.08Å; L113-M116 HydrophobicContact CB-CG 4.32Å; L113-M116 WeakPolarHBondContact O-CB 3.19Å; L113-M116 PolarHBondContact O-N 2.98Å; P114-M116 VanDerWaalsContact C-N 3.34Å; M116-R118 VanDerWaalsContact C-N 3.31Å
117N82.3Confident84.1Confident164 Ų16468.7 Ų68.788%0.87739%0.389SS*.SBendtrans-90.19.4175.7-68.5-74.8000113.3
118R86.8Confident82.2Confident156 Ų15677.9 Ų77.959%0.58943%0.432SS*.SBendtrans-147.6148.2179.3-68.9-169.4176.7-146.5-3.7109.9Q52 M116Q52-R118 HydrophobicContact CG-CB 4.02Å; M116-R118 VanDerWaalsContact C-N 3.31Å
119P87.6Confident80.4Confident36 Ų3677.9 Ų77.923%0.23444%0.444CS..  trans-70.1159176.532.2-37.3000112Q52 E109 T112Q52-P119 WeakPolarHBondContact CB-O 3.45Å; Q52-P119 WeakPolarHBondContact CG-O 3.24Å; E109-P119 HydrophobicContact CB-CG 3.99Å; E109-P119 HydrophobicContact CG-CG 4.18Å; E109-P119 WeakPolarHBondContact O-CB 3.14Å; T112-P119 WeakPolarHBondContact OG1-CA 3.36Å
120I91.3Very high78.6Confident1 Ų180.4 Ų80.41%0.00545%0.45CS..  trans-63.2132.8-176.4-159.2177.7000111.4V50 G51 F66 L107 E109 K111 L113V50-I120 HydrophobicContact CG1-CD1 3.59Å; V50-I120 HydrophobicContact CG1-CG1 3.73Å; G51-I120 WeakPolarHBondContact O-CG1 3.14Å; F66-I120 HydrophobicContact CE1-CD1 4.47Å; F66-I120 HydrophobicContact CZ-CD1 3.77Å; L107-I120 HydrophobicContact CB-CG2 3.92Å; L107-I120 WeakPolarHBondContact O-CG2 3.26Å; E109-I120 PolarHBondContact N-O 2.9Å; K111-I120 HydrophobicContact CB-CG2 4.23Å; K111-I120 WeakPolarHBondContact O-CB 3.25Å; K111-I120 VanDerWaalsContact O-CG2 3.26Å; K111-I120 WeakPolarHBondContact O-CG2 3.26Å; K111-I120 PolarHBondContact O-N 3.47Å; L113-I120 HydrophobicContact CD1-CD1 3.82Å; L113-I120 HydrophobicContact CD1-CG1 4.33Å; L113-I120 HydrophobicContact CG-CD1 4.4Å
121Q90.3Very high77Confident48 Ų4874.7 Ų74.722%0.22443%0.428CS..EExtended strand (participates in β ladder)trans-106.880.6-174.5-73.7-171.6-40.900111.3G51 Q52 E109G51-Q121 PolarHBondContact N-O 2.81Å; G51-Q121 PolarHBondContact O-N 2.93Å; Q52-Q121 HydrophobicContact CG-CB 4.45Å; Q52-Q121 HydrophobicContact CG-CG 4.01Å; E109-Q121 HydrophobicContact CG-CG 4.09Å; E109-Q121 PolarHBondContact OE1-NE2 3.11Å
122V92.9Very high75.9Confident0 Ų074.5 Ų74.50%043%0.428CS..EExtended strand (participates in β ladder)trans-79117.2170.6-174.60000110.2L48 F49 V50 F66 Q104 L107 H108L48-V122 HydrophobicContact CB-CG1 4.33Å; L48-V122 HydrophobicContact CD1-CG1 3.79Å; L48-V122 HydrophobicContact CD2-CG1 4.39Å; L48-V122 HydrophobicContact CG-CG1 4.41Å; F49-V122 WeakPolarHBondContact O-CA 3.41Å; V50-V122 HydrophobicContact CG1-CG2 4.33Å; V50-V122 HydrophobicContact CG2-CG2 4.33Å; F66-V122 HydrophobicContact CE1-CG2 4.27Å; Q104-V122 HydrophobicContact CB-CG1 4.19Å; L107-V122 HydrophobicContact CB-CG2 3.8Å; L107-V122 HydrophobicContact CD1-CG2 4.38Å; H108-V122 HydrophobicContact CB-CB 4.37Å; H108-V122 WeakPolarHBondContact CB-O 3.42Å; H108-V122 PolarHBondContact ND1-O 3.39Å
123K90.2Very high75.1Confident98 Ų9873.4 Ų73.443%0.42642%0.42SS..EExtended strand (participates in β ladder)trans-136.5157.2174.8-64-167.8178-169.90110.4L48 F49 H108 A125L48-K123 CarbonylContact C-O 3.57Å; L48-K123 VanDerWaalsContact CA-O 3.32Å; L48-K123 WeakPolarHBondContact CA-O 3.31Å; F49-K123 PolarHBondContact N-O 3.07Å; F49-K123 PolarHBondContact O-N 3.3Å; H108-K123 WeakPolarHBondContact CE1-CE 3.44Å; H108-K123 WeakPolarHBondContact NE2-CE 3.34Å; K123-A125 PolarHBondContact O-N 3Å
124P85.8Confident75Confident74 Ų7475 Ų7548%0.48143%0.425SS..EExtended strand (participates in β ladder)trans-55.3130.1167.1-23.134.7000109.9
125A80.6Confident75.5Confident16 Ų1672.2 Ų72.213%0.13240%0.401CS..PPolyproline II helixtrans-70.4133174.700000109.2K47 F49 F91 K123 S127K47-A125 HydrophobicContact CB-CB 4.45Å; K47-A125 HydrophobicContact CG-CB 4.31Å; K47-A125 VanDerWaalsContact O-CB 3.27Å; K47-A125 WeakPolarHBondContact O-CB 3.24Å; K47-A125 PolarHBondContact O-N 3.15Å; F49-A125 HydrophobicContact CB-CB 4.3Å; F91-A125 HydrophobicContact CD1-CB 3.96Å; F91-A125 HydrophobicContact CE1-CB 3.76Å; K123-A125 PolarHBondContact O-N 3Å; A125-S127 PolarHBondContact O-N 3.35Å; A125-S127 VanDerWaalsContact O-N 3.08Å
126A61.4Low76.2Confident93 Ų9368.5 Ų68.577%0.76936%0.362SS*.PPolyproline II helixtrans-57.3117.5163.100000107.7E128A126-E128 VanDerWaalsContact C-N 3.26Å; A126-E128 PolarHBondContact O-N 2.81Å
127S55.8Low76.7Confident62 Ų6269.6 Ų69.643%0.43437%0.366SS..  trans-82.672.9-168.7-125.90000111.1A125 G129 R130A125-S127 PolarHBondContact O-N 3.35Å; A125-S127 VanDerWaalsContact O-N 3.08Å; S127-G129 PolarHBondContact O-N 3Å; S127-R130 PolarHBondContact O-N 3.37Å
128E52.6Low77.2Confident195 Ų19561.8 Ų61.891%0.91132%0.324SS*.THydrogen-bonded Turntrans-66.644.8-175.7-156.9-173.1171.800113.7A126A126-E128 VanDerWaalsContact C-N 3.26Å; A126-E128 PolarHBondContact O-N 2.81Å
129G51.5Low77.4Confident44 Ų4454.5 Ų54.545%0.45430%0.298SS..THydrogen-bonded Turntrans154.221.3-175.100000114.9S127S127-G129 PolarHBondContact O-N 3Å
130R52.8Low77.6Confident146 Ų14656.9 Ų56.955%0.55131%0.307SS*.THydrogen-bonded Turntrans-142.96.5168.9-69.2-166.6178.1-138.5-4.6114.2S127 R134S127-R130 PolarHBondContact O-N 3.37Å; R130-R134 PolarHBondContact O-NE 2.92Å
131G54.6Low77.4Confident19 Ų1957.1 Ų57.120%0.19631%0.308CS..SBendtrans-86.6-23.5169.500000112.9
132E61.5Low77.2Confident84 Ų8454.8 Ų54.839%0.39330%0.298SS..SBendtrans-86.5-41.1-167.1-67.6144.413300111.9R134 K135 T214E132-R134 PolarHBondContact O-N 2.99Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-T214 HydrophobicContact CB-CG2 4.06Å; E132-T214 HydrophobicContact CG-CG2 3.82Å; E132-T214 WeakPolarHBondContact OE1-CG2 3.48Å
133D69.7Low76.8Confident60 Ų6061.8 Ų61.832%0.32133%0.328SS..THydrogen-bonded Turntrans-59.1-13.9171.3-55.5-65.1000114.3Q184 L211D133-Q184 HydrophobicContact CB-CG 3.98Å; D133-L211 WeakPolarHBondContact O-CD2 3.3Å
134R85.7Confident76.5Confident47 Ų4765.2 Ų65.218%0.17735%0.346CS..THydrogen-bonded Turntrans-106-7.6-179.6-56.8-166.6-71.5131.8-22.7113.4R130 E132 E161 K180 F181 G182 Q184R130-R134 PolarHBondContact O-NE 2.92Å; E132-R134 PolarHBondContact O-N 2.99Å; R134-E161 IonicContact CZ-OE1 2.68Å; R134-E161 VanDerWaalsContact NH1-CD 3.26Å; R134-E161 IonicContact NH1-OE1 3.63Å; R134-E161 PolarHBondContact NH1-OE1 2.77Å; R134-E161 IonicContact NH1-OE2 3.7Å; R134-E161 PolarHBondContact NH1-OE2 2.92Å; R134-E161 IonicContact NH2-OE1 2.8Å; R134-K180 WeakPolarHBondContact O-CA 3.42Å; R134-F181 PolarHBondContact NH1-O 3.4Å; R134-F181 PolarHBondContact O-N 2.84Å; R134-G182 VanDerWaalsContact CD-O 3.27Å; R134-G182 WeakPolarHBondContact CD-O 3.49Å; R134-G182 PolarHBondContact NH1-O 3.12Å; R134-Q184 HydrophobicContact CG-CB 4.38Å
135K90.6Very high76.5Confident52 Ų5263.9 Ų63.923%0.22633%0.333CS..EExtended strand (participates in β ladder)trans-104.8117.2-177.8-165.2160.6-169.2156.70109.8E132 E162 V179 K180 A212E132-K135 PolarHBondContact O-N 2.94Å; K135-E162 IonicContact NZ-OE1 3.72Å; K135-E162 PolarHBondContact NZ-OE1 3.01Å; K135-E162 IonicContact NZ-OE2 3.36Å; K135-E162 PolarHBondContact NZ-OE2 2.84Å; K135-V179 CarbonylContact C-O 3.56Å; K135-V179 WeakPolarHBondContact CA-O 3.31Å; K135-K180 HydrophobicContact CB-CG 4.36Å; K135-K180 HydrophobicContact CG-CB 4.43Å; K135-A212 HydrophobicContact CB-CB 4.4Å; K135-A212 HydrophobicContact CG-CB 4.23Å; K135-A212 VanDerWaalsContact O-CB 3.28Å; K135-A212 WeakPolarHBondContact O-CB 3.33Å; K135-A212 PolarHBondContact O-N 3.45Å
136L92.6Very high76.9Confident0 Ų063.9 Ų63.90%034%0.335CS..EExtended strand (participates in β ladder)trans-98.2138.8180-55-173.6000110.6F154 F178 V179 F181 A187 A190 I191 V209 K210 L211L136-F154 HydrophobicContact CD1-CE1 4.14Å; L136-F178 VanDerWaalsContact O-CA 3.29Å; L136-F178 WeakPolarHBondContact O-CA 3.28Å; L136-V179 PolarHBondContact N-O 2.88Å; L136-V179 PolarHBondContact O-N 2.87Å; L136-F181 HydrophobicContact CD1-CD2 4.15Å; L136-F181 HydrophobicContact CD1-CE2 3.75Å; L136-A187 HydrophobicContact CD2-CB 4.06Å; L136-A187 HydrophobicContact CG-CB 4.35Å; L136-A190 HydrophobicContact CD1-CB 3.82Å; L136-I191 HydrophobicContact CD1-CG1 4.19Å; L136-I191 HydrophobicContact CD2-CD1 3.65Å; L136-I191 HydrophobicContact CD2-CG1 3.74Å; L136-V209 HydrophobicContact CB-CG1 4.4Å; L136-V209 HydrophobicContact CD1-CG1 3.73Å; L136-K210 CarbonylContact C-O 3.53Å; L136-K210 WeakPolarHBondContact CA-O 3.33Å; L136-L211 HydrophobicContact CD2-CD2 3.98Å
137F93.9Very high78.4Confident66 Ų6662.3 Ų62.329%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-86.4132157.6176.4-100.3000109C176 F178 V209 K210 A212F137-C176 HydrophobicContact CE2-CB 3.62Å; F137-C176 HydrophobicContact CZ-CB 3.57Å; F137-F178 HydrophobicContact CB-CD1 4.27Å; F137-F178 HydrophobicContact CB-CE1 4Å; F137-F178 HydrophobicContact CD2-CD1 4.31Å; F137-F178 AromaticContact CD2-CE1 3.75Å; F137-F178 HydrophobicContact CD2-CE1 3.75Å; F137-F178 HydrophobicContact CD2-CZ 4.1Å; F137-F178 HydrophobicContact CG-CE1 4.37Å; F137-V209 WeakPolarHBondContact O-CA 3.41Å; F137-K210 PolarHBondContact N-O 3.02Å; F137-K210 PolarHBondContact O-N 2.78Å; F137-A212 HydrophobicContact CB-CB 4.38Å
138V92.9Very high80.1Confident0 Ų064.4 Ų64.40%031%0.314CS..EExtended strand (participates in β ladder)trans-120.197.6179.4-175.90000107.9L141 F154 C176 A177 V179 L207 V209V138-L141 HydrophobicContact CB-CD1 4.48Å; V138-L141 HydrophobicContact CG1-CD1 4.05Å; V138-L141 HydrophobicContact CG1-CD2 4.03Å; V138-L141 HydrophobicContact CG1-CG 3.99Å; V138-F154 HydrophobicContact CB-CZ 4.16Å; V138-F154 HydrophobicContact CG1-CE2 3.82Å; V138-F154 HydrophobicContact CG1-CZ 3.67Å; V138-F154 HydrophobicContact CG2-CE1 3.79Å; V138-F154 HydrophobicContact CG2-CE2 3.96Å; V138-F154 HydrophobicContact CG2-CZ 3.32Å; V138-C176 CarbonylContact O-C 3.51Å; V138-C176 WeakPolarHBondContact O-CA 3.41Å; V138-C176 WeakPolarHBondContact O-CB 3.44Å; V138-A177 HydrophobicContact CB-CB 4.43Å; V138-A177 PolarHBondContact N-O 2.63Å; V138-A177 PolarHBondContact O-N 2.64Å; V138-V179 HydrophobicContact CG2-CB 4.39Å; V138-V179 HydrophobicContact CG2-CG2 3.82Å; V138-L207 HydrophobicContact CG1-CD2 4.47Å; V138-V209 HydrophobicContact CG1-CG2 4.39Å
139G91.6Very high81.9Confident4 Ų457.2 Ų57.24%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-92.6166.7175.700000113.4L141 V208G139-L141 VanDerWaalsContact C-N 3.32Å; G139-L141 PolarHBondContact O-N 2.62Å; G139-V208 PolarHBondContact N-O 3.21Å; G139-V208 PolarHBondContact O-N 3.41Å
140M90.9Very high83.8Confident86 Ų8655.2 Ų55.242%0.42426%0.261SS..  trans62.133.9178.6-49.2-54.6168.700114.3G175 A203 S206 V208M140-G175 PolarHBondContact N-O 2.68Å; M140-A203 WeakPolarHBondContact O-CB 3.44Å; M140-S206 WeakPolarHBondContact CB-O 3.33Å; M140-V208 HydrophobicContact CB-CG2 4.48Å; M140-V208 HydrophobicContact CG-CB 4.46Å; M140-V208 HydrophobicContact CG-CG2 3.71Å
141L88.4Confident85.8Confident5 Ų553.3 Ų53.33%0.02625%0.254CS..  trans-71.1143.8164.3-67.9166.5000109.9V138 G139 V150 G175 A177 L207V138-L141 HydrophobicContact CB-CD1 4.48Å; V138-L141 HydrophobicContact CG1-CD1 4.05Å; V138-L141 HydrophobicContact CG1-CD2 4.03Å; V138-L141 HydrophobicContact CG1-CG 3.99Å; G139-L141 VanDerWaalsContact C-N 3.32Å; G139-L141 PolarHBondContact O-N 2.62Å; L141-V150 HydrophobicContact CD1-CG2 3.62Å; L141-V150 HydrophobicContact CD2-CG2 3.89Å; L141-V150 HydrophobicContact CG-CG2 4.44Å; L141-G175 PolarHBondContact N-O 3.31Å; L141-G175 WeakPolarHBondContact O-CA 3.37Å; L141-A177 HydrophobicContact CD1-CB 3.52Å; L141-L207 HydrophobicContact CD2-CD2 3.7Å; L141-L207 HydrophobicContact CG-CD2 4.24Å
142G85.2Confident87.5Confident0 Ų058.9 Ų58.90%027%0.269CS..  trans-64.8138.9170.400000110.2Q144 Q145G142-Q144 PolarHBondContact O-N 2.86Å; G142-Q145 WeakPolarHBondContact O-CB 3.43Å; G142-Q145 PolarHBondContact O-N 2.91Å
143K84.9Confident88.9Confident146 Ų14656 Ų5664%0.63526%0.256SS*.THydrogen-bonded Turntrans-60.6-15.8-174.1-64.5-173.4180179.50114.8S173K143-S173 WeakPolarHBondContact O-CB 3.44Å
144Q84.5Confident90Very high171 Ų17153.1 Ų53.180%0.79924%0.24SC*.THydrogen-bonded Turntrans-89.2-5.8177.4-58.4-171.383.300113.5G142G142-Q144 PolarHBondContact O-N 2.86Å
145Q84.9Confident90.4Very high46 Ų4657 Ų5722%0.21526%0.261CS..  trans-82.7126.9-178.7-62-68.9-99.600111.1G142 D149 M200G142-Q145 WeakPolarHBondContact O-CB 3.43Å; G142-Q145 PolarHBondContact O-N 2.91Å; Q145-D149 HydrophobicContact CB-CB 4.25Å; Q145-M200 HydrophobicContact CG-CE 4.12Å
146G89.4Confident90.5Very high16 Ų1659.4 Ų59.417%0.16528%0.282CS..  trans-91.5174.3175.900000113.2E148 D149 V150G146-E148 PolarHBondContact O-N 2.85Å; G146-D149 PolarHBondContact N-OD2 3.18Å; G146-D149 PolarHBondContact O-N 3.07Å; G146-V150 PolarHBondContact O-N 3.47Å; G146-V150 VanDerWaalsContact O-N 3.14Å
147E92Very high90.5Very high60 Ų6062.3 Ų62.328%0.2829%0.294SS..Hα-helixtrans-52.9-38.6175.3-70.572.4-17200111.4R151 C163 V165 R167E147-R151 WeakPolarHBondContact O-CB 3.03Å; E147-R151 PolarHBondContact O-N 2.74Å; E147-C163 PolarHBondContact O-SG 2.88Å; E147-V165 HydrophobicContact CB-CG2 4.47Å; E147-V165 HydrophobicContact CG-CB 4.33Å; E147-V165 HydrophobicContact CG-CG2 3.94Å; E147-V165 WeakPolarHBondContact OE1-CB 3.44Å; E147-V165 PolarHBondContact OE1-N 2.88Å; E147-R167 IonicContact OE1-CZ 2.72Å; E147-R167 IonicContact OE1-NE 3.74Å; E147-R167 PolarHBondContact OE1-NE 2.87Å; E147-R167 VanDerWaalsContact OE1-NE 3.14Å; E147-R167 IonicContact OE1-NH2 3.94Å; E147-R167 PolarHBondContact OE1-NH2 3Å; E147-R167 IonicContact OE2-CZ 3.48Å; E147-R167 IonicContact OE2-NE 3.86Å; E147-R167 IonicContact OE2-NH2 3.83Å; E147-R167 PolarHBondContact OE2-NH2 3.46Å
148E91.9Very high90.3Very high105 Ų10560 Ų6049%0.49129%0.289SS..Hα-helixtrans-69.5-32.6177.2-77.1-65.9108.200114.1G146 R151 R152G146-E148 PolarHBondContact O-N 2.85Å; E148-R151 PolarHBondContact O-N 2.87Å; E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 WeakPolarHBondContact O-CG 3.28Å; E148-R152 PolarHBondContact O-N 3.45Å; E148-R152 IonicContact OE2-NH1 3.55Å
149D90.8Very high90.2Very high45 Ų4566 Ų6624%0.24132%0.317CS..Hα-helixtrans-72.1-42.4175.6-60-52.6000110.9Q145 G146 R151 R152 L153Q145-D149 HydrophobicContact CB-CB 4.25Å; G146-D149 PolarHBondContact N-OD2 3.18Å; G146-D149 PolarHBondContact O-N 3.07Å; D149-R151 VanDerWaalsContact C-N 3.31Å; D149-R152 PolarHBondContact O-N 3.16Å; D149-R152 IonicContact OD1-CZ 3.65Å; D149-R152 IonicContact OD1-NE 3.79Å; D149-R152 IonicContact OD1-NH2 2.72Å; D149-R152 PolarHBondContact OD1-NH2 3.26Å; D149-L153 WeakPolarHBondContact O-CB 3.46Å; D149-L153 PolarHBondContact O-N 3Å
150V91.5Very high90.2Very high1 Ų166.2 Ų66.21%0.00632%0.317CS..Hα-helixtrans-61.2-43.2172.2-179.50000109.8L141 G146 L153 F154 V165 A177 V179L141-V150 HydrophobicContact CD1-CG2 3.62Å; L141-V150 HydrophobicContact CD2-CG2 3.89Å; L141-V150 HydrophobicContact CG-CG2 4.44Å; G146-V150 PolarHBondContact O-N 3.47Å; G146-V150 VanDerWaalsContact O-N 3.14Å; V150-L153 PolarHBondContact O-N 2.93Å; V150-F154 HydrophobicContact CG1-CD2 3.93Å; V150-F154 HydrophobicContact CG1-CE2 4.16Å; V150-F154 VanDerWaalsContact O-CD2 3.31Å; V150-F154 WeakPolarHBondContact O-CD2 3.44Å; V150-F154 PolarHBondContact O-N 3.46Å; V150-V165 HydrophobicContact CG2-CG2 4.2Å; V150-A177 HydrophobicContact CG1-CB 4.39Å; V150-A177 HydrophobicContact CG2-CB 4.37Å; V150-V179 HydrophobicContact CG1-CG2 3.45Å; V150-V179 VanDerWaalsContact CG1-CG2 3.45Å
151R93.4Very high90.1Very high107 Ų10766.6 Ų66.640%0.40432%0.318SS..Hα-helixtrans-61.7-48178-157.5177.3-166.9-148.30.6112E147 E148 D149 L153 F154 Q155 I160E147-R151 WeakPolarHBondContact O-CB 3.03Å; E147-R151 PolarHBondContact O-N 2.74Å; E148-R151 PolarHBondContact O-N 2.87Å; D149-R151 VanDerWaalsContact C-N 3.31Å; R151-L153 VanDerWaalsContact C-N 3.27Å; R151-L153 PolarHBondContact O-N 2.76Å; R151-F154 PolarHBondContact O-N 3.44Å; R151-Q155 VanDerWaalsContact O-CB 3.24Å; R151-Q155 WeakPolarHBondContact O-CB 3.36Å; R151-Q155 PolarHBondContact O-N 2.85Å; R151-I160 HydrophobicContact CB-CD1 4.44Å; R151-I160 HydrophobicContact CG-CD1 3.75Å; R151-I160 PolarHBondContact NH2-O 2.9Å; R151-I160 WeakPolarHBondContact O-CD1 3.3Å
152R91.8Very high90.1Very high135 Ų13569.7 Ų69.751%0.50933%0.332SS..Hα-helixtrans-57.1-37.8174-79.6-175.9-76-87.55.6113E148 D149E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 WeakPolarHBondContact O-CG 3.28Å; E148-R152 PolarHBondContact O-N 3.45Å; E148-R152 IonicContact OE2-NH1 3.55Å; D149-R152 PolarHBondContact O-N 3.16Å; D149-R152 IonicContact OD1-CZ 3.65Å; D149-R152 IonicContact OD1-NE 3.79Å; D149-R152 IonicContact OD1-NH2 2.72Å; D149-R152 PolarHBondContact OD1-NH2 3.26Å
153L90.4Very high90.4Very high23 Ų2371 Ų7112%0.1234%0.341CS..Hα-helixtrans-73.2-35.2-179.1-179.759.6000113.4D149 V150 R151 P156 L194 M200 L207D149-L153 WeakPolarHBondContact O-CB 3.46Å; D149-L153 PolarHBondContact O-N 3Å; V150-L153 PolarHBondContact O-N 2.93Å; R151-L153 VanDerWaalsContact C-N 3.27Å; R151-L153 PolarHBondContact O-N 2.76Å; L153-P156 WeakPolarHBondContact O-CD 3.23Å; L153-L194 HydrophobicContact CD1-CD2 3.84Å; L153-L194 HydrophobicContact CG-CD1 4.17Å; L153-L194 HydrophobicContact CG-CD2 4.13Å; L153-M200 HydrophobicContact CD2-CE 4.37Å; L153-M200 HydrophobicContact CD2-SD 4.27Å; L153-L207 HydrophobicContact CD2-CD1 3.61Å
154F93.3Very high90.8Very high0 Ų067 Ų670%033%0.329CS..Hα-helixtrans-93.5-20.7-176-80.7-105.1000113.5L136 V138 V150 R151 P156 F157 I160 V179 F181 A190 L194 V209L136-F154 HydrophobicContact CD1-CE1 4.14Å; V138-F154 HydrophobicContact CB-CZ 4.16Å; V138-F154 HydrophobicContact CG1-CE2 3.82Å; V138-F154 HydrophobicContact CG1-CZ 3.67Å; V138-F154 HydrophobicContact CG2-CE1 3.79Å; V138-F154 HydrophobicContact CG2-CE2 3.96Å; V138-F154 HydrophobicContact CG2-CZ 3.32Å; V150-F154 HydrophobicContact CG1-CD2 3.93Å; V150-F154 HydrophobicContact CG1-CE2 4.16Å; V150-F154 VanDerWaalsContact O-CD2 3.31Å; V150-F154 WeakPolarHBondContact O-CD2 3.44Å; V150-F154 PolarHBondContact O-N 3.46Å; R151-F154 PolarHBondContact O-N 3.44Å; F154-P156 VanDerWaalsContact C-N 3.35Å; F154-F157 PolarHBondContact O-N 2.83Å; F154-I160 HydrophobicContact CB-CD1 3.59Å; F154-I160 HydrophobicContact CB-CG1 4.42Å; F154-V179 HydrophobicContact CB-CG1 4.16Å; F154-V179 HydrophobicContact CD1-CB 4.4Å; F154-V179 HydrophobicContact CD1-CG1 4.08Å; F154-V179 HydrophobicContact CD1-CG2 4.37Å; F154-V179 HydrophobicContact CD2-CG2 4.43Å; F154-V179 HydrophobicContact CG-CG1 4.21Å; F154-V179 HydrophobicContact CG-CG2 4.3Å; F154-F181 HydrophobicContact CB-CZ 3.97Å; F154-F181 AromaticContact CD1-CE2 3.94Å; F154-F181 HydrophobicContact CD1-CE2 3.94Å; F154-F181 AromaticContact CD1-CZ 3.88Å; F154-F181 HydrophobicContact CD1-CZ 3.88Å; F154-F181 HydrophobicContact CG-CZ 4.44Å; F154-A190 HydrophobicContact CD1-CB 4.05Å; F154-A190 HydrophobicContact CE1-CB 4.27Å; F154-L194 HydrophobicContact CD1-CD1 3.7Å; F154-L194 HydrophobicContact CD2-CD1 3.76Å; F154-L194 HydrophobicContact CE1-CD1 3.6Å; F154-L194 HydrophobicContact CE2-CD1 3.66Å; F154-L194 HydrophobicContact CG-CD1 3.78Å; F154-L194 HydrophobicContact CZ-CB 4.44Å; F154-L194 HydrophobicContact CZ-CD1 3.57Å; F154-V209 HydrophobicContact CE1-CG1 3.85Å; F154-V209 HydrophobicContact CE1-CG2 4.24Å; F154-V209 HydrophobicContact CZ-CG1 4.14Å; F154-V209 HydrophobicContact CZ-CG2 3.72Å
155Q92.9Very high91.2Very high129 Ų12959 Ų5960%0.60329%0.292SS*.G310 helixtrans-53.8-35178.8177177.2-9.200115.3R151 F157 G158 I160R151-Q155 VanDerWaalsContact O-CB 3.24Å; R151-Q155 WeakPolarHBondContact O-CB 3.36Å; R151-Q155 PolarHBondContact O-N 2.85Å; Q155-F157 PolarHBondContact O-N 3.21Å; Q155-F157 VanDerWaalsContact O-N 3.15Å; Q155-G158 PolarHBondContact O-N 3.42Å; Q155-I160 HydrophobicContact CB-CD1 4.5Å
156P93.8Very high91.5Very high103 Ų10359.2 Ų59.267%0.66929%0.294SS*.G310 helixtrans-63.2-16.9176.4-24.936.1000114.8L153 F154L153-P156 WeakPolarHBondContact O-CD 3.23Å; F154-P156 VanDerWaalsContact C-N 3.35Å
157F92.2Very high91.6Very high60 Ų6063.7 Ų63.726%0.26331%0.306SS..G310 helixtrans-98.8-8.3-177.4-58.1-86.6000113.4F154 Q155 F181 E186 A189 A190 L194F154-F157 PolarHBondContact O-N 2.83Å; Q155-F157 PolarHBondContact O-N 3.21Å; Q155-F157 VanDerWaalsContact O-N 3.15Å; F157-F181 HydrophobicContact CB-CE1 4.37Å; F157-F181 HydrophobicContact CB-CZ 4.25Å; F157-E186 WeakPolarHBondContact O-CA 3.48Å; F157-E186 VanDerWaalsContact O-CB 3.28Å; F157-E186 WeakPolarHBondContact O-CB 3.4Å; F157-E186 WeakPolarHBondContact O-CG 3.02Å; F157-A189 HydrophobicContact CD1-CB 4.48Å; F157-A190 HydrophobicContact CB-CB 3.75Å; F157-A190 HydrophobicContact CG-CB 4.03Å; F157-L194 HydrophobicContact CD2-CD1 3.84Å; F157-L194 HydrophobicContact CD2-CG 4.21Å; F157-L194 HydrophobicContact CE2-CD1 3.57Å; F157-L194 HydrophobicContact CE2-CD2 3.78Å; F157-L194 HydrophobicContact CE2-CG 3.53Å; F157-L194 HydrophobicContact CZ-CD1 4.32Å; F157-L194 HydrophobicContact CZ-CD2 4.01Å; F157-L194 HydrophobicContact CZ-CG 3.79Å
158G89.4Confident91.5Very high18 Ų1862.9 Ų62.919%0.18631%0.307CS..SBendtrans154.7178.817900000115.4Q155 I160 E186Q155-G158 PolarHBondContact O-N 3.42Å; G158-I160 PolarHBondContact O-N 2.7Å; G158-E186 WeakPolarHBondContact CA-OE1 3.47Å
159H91.1Very high91.3Very high127 Ų12764.6 Ų64.659%0.58833%0.328SS*.  trans-76.5121.5176.9-170.883.1000111.7F181 G182 E186H159-F181 CarbonylContact O-C 3.58Å; H159-F181 WeakPolarHBondContact O-CA 3.38Å; H159-G182 PolarHBondContact O-N 3.39Å; H159-E186 PolarHBondContact N-OE1 3.07Å
160I92Very high91.2Very high7 Ų767.8 Ų67.84%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-92.2109.4-179.7-60166.9000110R151 F154 Q155 G158 E162 C163 V179 K180 F181R151-I160 HydrophobicContact CB-CD1 4.44Å; R151-I160 HydrophobicContact CG-CD1 3.75Å; R151-I160 PolarHBondContact NH2-O 2.9Å; R151-I160 WeakPolarHBondContact O-CD1 3.3Å; F154-I160 HydrophobicContact CB-CD1 3.59Å; F154-I160 HydrophobicContact CB-CG1 4.42Å; Q155-I160 HydrophobicContact CB-CD1 4.5Å; G158-I160 PolarHBondContact O-N 2.7Å; I160-E162 VanDerWaalsContact CG2-O 3.27Å; I160-E162 WeakPolarHBondContact CG2-O 3.46Å; I160-C163 HydrophobicContact CG2-CB 4.1Å; I160-V179 HydrophobicContact CD1-CG1 4.28Å; I160-V179 HydrophobicContact CG1-CG1 4.11Å; I160-V179 HydrophobicContact CG2-CG1 3.97Å; I160-K180 CarbonylContact C-O 3.51Å; I160-K180 WeakPolarHBondContact CA-O 3.32Å; I160-F181 HydrophobicContact CG1-CD1 4.31Å; I160-F181 HydrophobicContact CG1-CE1 3.91Å; I160-F181 HydrophobicContact CG1-CZ 4.35Å
161E88.4Confident90.9Very high94 Ų9469.6 Ų69.644%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-71-39.6172.1-69.4-174.4-174.600112.3R134 K180R134-E161 IonicContact CZ-OE1 2.68Å; R134-E161 VanDerWaalsContact NH1-CD 3.26Å; R134-E161 IonicContact NH1-OE1 3.63Å; R134-E161 PolarHBondContact NH1-OE1 2.77Å; R134-E161 IonicContact NH1-OE2 3.7Å; R134-E161 PolarHBondContact NH1-OE2 2.92Å; R134-E161 IonicContact NH2-OE1 2.8Å; E161-K180 HydrophobicContact CB-CD 4.37Å; E161-K180 PolarHBondContact N-O 2.85Å; E161-K180 WeakPolarHBondContact OE2-CD 3.27Å; E161-K180 WeakPolarHBondContact OE2-CE 3.32Å; E161-K180 IonicContact OE2-NZ 3.9Å; E161-K180 PolarHBondContact OE2-NZ 2.99Å
162E87.8Confident90.6Very high70 Ų7067.5 Ų67.533%0.32736%0.363SS..EExtended strand (participates in β ladder)trans-143.4136.1-170.6-159.6-161.9141.100109.8K135 I160 V179 K180K135-E162 IonicContact NZ-OE1 3.72Å; K135-E162 PolarHBondContact NZ-OE1 3.01Å; K135-E162 IonicContact NZ-OE2 3.36Å; K135-E162 PolarHBondContact NZ-OE2 2.84Å; I160-E162 VanDerWaalsContact CG2-O 3.27Å; I160-E162 WeakPolarHBondContact CG2-O 3.46Å; E162-V179 CarbonylContact O-C 3.43Å; E162-V179 WeakPolarHBondContact O-CA 3.42Å; E162-K180 HydrophobicContact CB-CB 3.6Å; E162-K180 HydrophobicContact CB-CD 4.16Å; E162-K180 PolarHBondContact N-O 3.27Å; E162-K180 PolarHBondContact O-N 3.18Å
163C92.7Very high90.5Very high28 Ų2861.4 Ų61.419%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-143.7134.8171.4-176.10000109.2E147 I160 F178E147-C163 PolarHBondContact O-SG 2.88Å; I160-C163 HydrophobicContact CG2-CB 4.1Å; C163-F178 WeakPolarHBondContact CA-O 3.33Å
164T92.3Very high90.5Very high61 Ų6165.6 Ų65.637%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-153.5119.8-177.4-58.70000110.5A177 F178T164-A177 CarbonylContact O-C 3.5Å; T164-A177 WeakPolarHBondContact O-CA 3.31Å; T164-A177 VanDerWaalsContact O-CB 3.31Å; T164-A177 WeakPolarHBondContact O-CB 3.4Å; T164-F178 PolarHBondContact N-O 3.01Å; T164-F178 PolarHBondContact O-N 2.88Å
165V92.9Very high90.3Very high5 Ų566 Ų663%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-82.4131.5173.6-179.20000108.9E147 V150 R167 S173 C176 A177E147-V165 HydrophobicContact CB-CG2 4.47Å; E147-V165 HydrophobicContact CG-CB 4.33Å; E147-V165 HydrophobicContact CG-CG2 3.94Å; E147-V165 WeakPolarHBondContact OE1-CB 3.44Å; E147-V165 PolarHBondContact OE1-N 2.88Å; V150-V165 HydrophobicContact CG2-CG2 4.2Å; V165-R167 PolarHBondContact O-N 3.11Å; V165-S173 WeakPolarHBondContact CG1-OG 3.4Å; V165-C176 WeakPolarHBondContact CG1-O 3.34Å; V165-A177 HydrophobicContact CG2-CB 4.16Å
166L90.8Very high90.2Very high50 Ų5060.8 Ų60.826%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-76.3116.9176.9-100.562.5000109.4K174 C176 F178L166-K174 HydrophobicContact CB-CB 4.49Å; L166-K174 HydrophobicContact CB-CD 4.26Å; L166-K174 VanDerWaalsContact O-CB 3.28Å; L166-K174 WeakPolarHBondContact O-CB 3.21Å; L166-K174 PolarHBondContact O-N 2.81Å; L166-C176 PolarHBondContact N-O 2.78Å; L166-F178 HydrophobicContact CD1-CD2 3.48Å; L166-F178 VanDerWaalsContact CD1-CD2 3.48Å; L166-F178 HydrophobicContact CD1-CE2 3.6Å; L166-F178 HydrophobicContact CD2-CE2 3.96Å; L166-F178 HydrophobicContact CG-CE2 4.44Å
167R92.4Very high90.2Very high109 Ų10955.9 Ų55.941%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-108.8155.9179.1-64.3163.4-173.8-87.13.7110.4E147 V165 T172 K174E147-R167 IonicContact OE1-CZ 2.72Å; E147-R167 IonicContact OE1-NE 3.74Å; E147-R167 PolarHBondContact OE1-NE 2.87Å; E147-R167 VanDerWaalsContact OE1-NE 3.14Å; E147-R167 IonicContact OE1-NH2 3.94Å; E147-R167 PolarHBondContact OE1-NH2 3Å; E147-R167 IonicContact OE2-CZ 3.48Å; E147-R167 IonicContact OE2-NE 3.86Å; E147-R167 IonicContact OE2-NH2 3.83Å; E147-R167 PolarHBondContact OE2-NH2 3.46Å; V165-R167 PolarHBondContact O-N 3.11Å; R167-T172 CarbonylContact C-O 3.55Å; R167-T172 VanDerWaalsContact CA-O 3.3Å; R167-T172 WeakPolarHBondContact CA-O 3.38Å; R167-K174 VanDerWaalsContact O-CE 3.23Å; R167-K174 WeakPolarHBondContact O-CE 3.18Å; R167-K174 PolarHBondContact O-NZ 2.74Å
168S89.1Confident90.3Very high44 Ų4454.7 Ų54.731%0.30830%0.303SS..  trans-84.2167.6170.3-86.30000110.5D170 G171 T172 K174S168-D170 WeakPolarHBondContact CB-OD1 3.46Å; S168-D170 PolarHBondContact O-N 2.79Å; S168-D170 VanDerWaalsContact O-N 3.17Å; S168-G171 PolarHBondContact O-N 2.78Å; S168-T172 PolarHBondContact N-O 3.26Å; S168-K174 WeakPolarHBondContact OG-CE 3.18Å
169P89.3Confident90.5Very high141 Ų14153.8 Ų53.892%0.91629%0.294SS*.THydrogen-bonded Turntrans-63.1-18-178.2-23.135.3000114.6G171P169-G171 VanDerWaalsContact C-N 3.28Å
170D88.4Confident90.5Very high111 Ų11149.8 Ų49.859%0.59428%0.275SS*.THydrogen-bonded Turntrans-80.3-1.9171.265.8-19.2000113.7S168 T172S168-D170 WeakPolarHBondContact CB-OD1 3.46Å; S168-D170 PolarHBondContact O-N 2.79Å; S168-D170 VanDerWaalsContact O-N 3.17Å; D170-T172 VanDerWaalsContact C-N 3.31Å; D170-T172 PolarHBondContact O-N 2.89Å; D170-T172 WeakPolarHBondContact OD1-CB 3.41Å; D170-T172 PolarHBondContact OD1-N 3.1Å; D170-T172 PolarHBondContact OD1-OG1 2.83Å; D170-T172 WeakPolarHBondContact OD2-CB 3.37Å; D170-T172 PolarHBondContact OD2-OG1 2.86Å
171G84.2Confident90.4Very high40 Ų4049.4 Ų49.441%0.41227%0.273SS..SBendtrans85.9-11.1-174.700000115S168 P169S168-G171 PolarHBondContact O-N 2.78Å; P169-G171 VanDerWaalsContact C-N 3.28Å
172T88.1Confident90.1Very high63 Ų6346.5 Ų46.539%0.38727%0.268SS..  trans-66.2134-176.6-59.50000111.2R167 S168 D170 K174R167-T172 CarbonylContact C-O 3.55Å; R167-T172 VanDerWaalsContact CA-O 3.3Å; R167-T172 WeakPolarHBondContact CA-O 3.38Å; S168-T172 PolarHBondContact N-O 3.26Å; D170-T172 VanDerWaalsContact C-N 3.31Å; D170-T172 PolarHBondContact O-N 2.89Å; D170-T172 WeakPolarHBondContact OD1-CB 3.41Å; D170-T172 PolarHBondContact OD1-N 3.1Å; D170-T172 PolarHBondContact OD1-OG1 2.83Å; D170-T172 WeakPolarHBondContact OD2-CB 3.37Å; D170-T172 PolarHBondContact OD2-OG1 2.86Å; T172-K174 PolarHBondContact O-N 2.78Å
173S89.1Confident89.8Confident6 Ų644.7 Ų44.74%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-63.5131.9173.61790000111.4K143 V165 G175K143-S173 WeakPolarHBondContact O-CB 3.44Å; V165-S173 WeakPolarHBondContact CG1-OG 3.4Å; S173-G175 PolarHBondContact O-N 2.86Å; S173-G175 PolarHBondContact OG-N 2.89Å
174K89.7Confident89.4Confident111 Ų11147.6 Ų47.648%0.48327%0.274SS..EExtended strand (participates in β ladder)trans-77.10.3174.1-68.5168.7170.6151.70112.8L166 R167 S168 T172 C176L166-K174 HydrophobicContact CB-CB 4.49Å; L166-K174 HydrophobicContact CB-CD 4.26Å; L166-K174 VanDerWaalsContact O-CB 3.28Å; L166-K174 WeakPolarHBondContact O-CB 3.21Å; L166-K174 PolarHBondContact O-N 2.81Å; R167-K174 VanDerWaalsContact O-CE 3.23Å; R167-K174 WeakPolarHBondContact O-CE 3.18Å; R167-K174 PolarHBondContact O-NZ 2.74Å; S168-K174 WeakPolarHBondContact OG-CE 3.18Å; T172-K174 PolarHBondContact O-N 2.78Å; K174-C176 VanDerWaalsContact C-N 3.31Å
175G89.2Confident89.1Confident10 Ų1046.8 Ų46.810%0.10328%0.277CS..EExtended strand (participates in β ladder)trans70.827.1-175.500000113.2M140 L141 S173M140-G175 PolarHBondContact N-O 2.68Å; L141-G175 PolarHBondContact N-O 3.31Å; L141-G175 WeakPolarHBondContact O-CA 3.37Å; S173-G175 PolarHBondContact O-N 2.86Å; S173-G175 PolarHBondContact OG-N 2.89Å
176C92.1Very high89.1Confident18 Ų1848.7 Ų48.712%0.12229%0.286CS..EExtended strand (participates in β ladder)trans-146.8159.5173.561.20000112.6F137 V138 V165 L166 K174F137-C176 HydrophobicContact CE2-CB 3.62Å; F137-C176 HydrophobicContact CZ-CB 3.57Å; V138-C176 CarbonylContact O-C 3.51Å; V138-C176 WeakPolarHBondContact O-CA 3.41Å; V138-C176 WeakPolarHBondContact O-CB 3.44Å; V165-C176 WeakPolarHBondContact CG1-O 3.34Å; L166-C176 PolarHBondContact N-O 2.78Å; K174-C176 VanDerWaalsContact C-N 3.31Å
177A93.8Very high89.1Confident0 Ų046.3 Ų46.30%027%0.274CS..EExtended strand (participates in β ladder)trans-145.4165.6-179.500000111.4V138 L141 V150 T164 V165V138-A177 HydrophobicContact CB-CB 4.43Å; V138-A177 PolarHBondContact N-O 2.63Å; V138-A177 PolarHBondContact O-N 2.64Å; L141-A177 HydrophobicContact CD1-CB 3.52Å; V150-A177 HydrophobicContact CG1-CB 4.39Å; V150-A177 HydrophobicContact CG2-CB 4.37Å; T164-A177 CarbonylContact O-C 3.5Å; T164-A177 WeakPolarHBondContact O-CA 3.31Å; T164-A177 VanDerWaalsContact O-CB 3.31Å; T164-A177 WeakPolarHBondContact O-CB 3.4Å; V165-A177 HydrophobicContact CG2-CB 4.16Å
178F94Very high89.1Confident35 Ų3544.2 Ų44.215%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-109.2140.7160.1-66.7-71000110.3L136 F137 C163 T164 L166 A212L136-F178 VanDerWaalsContact O-CA 3.29Å; L136-F178 WeakPolarHBondContact O-CA 3.28Å; F137-F178 HydrophobicContact CB-CD1 4.27Å; F137-F178 HydrophobicContact CB-CE1 4Å; F137-F178 HydrophobicContact CD2-CD1 4.31Å; F137-F178 AromaticContact CD2-CE1 3.75Å; F137-F178 HydrophobicContact CD2-CE1 3.75Å; F137-F178 HydrophobicContact CD2-CZ 4.1Å; F137-F178 HydrophobicContact CG-CE1 4.37Å; C163-F178 WeakPolarHBondContact CA-O 3.33Å; T164-F178 PolarHBondContact N-O 3.01Å; T164-F178 PolarHBondContact O-N 2.88Å; L166-F178 HydrophobicContact CD1-CD2 3.48Å; L166-F178 VanDerWaalsContact CD1-CD2 3.48Å; L166-F178 HydrophobicContact CD1-CE2 3.6Å; L166-F178 HydrophobicContact CD2-CE2 3.96Å; L166-F178 HydrophobicContact CG-CE2 4.44Å; F178-A212 HydrophobicContact CD1-CB 3.84Å; F178-A212 HydrophobicContact CE1-CB 3.67Å
179V93.8Very high89.2Confident0 Ų044.1 Ų44.10%027%0.27CS..EExtended strand (participates in β ladder)trans-130.2134.5175.3-179.30000108.2K135 L136 V138 V150 F154 I160 E162 F181K135-V179 CarbonylContact C-O 3.56Å; K135-V179 WeakPolarHBondContact CA-O 3.31Å; L136-V179 PolarHBondContact N-O 2.88Å; L136-V179 PolarHBondContact O-N 2.87Å; V138-V179 HydrophobicContact CG2-CB 4.39Å; V138-V179 HydrophobicContact CG2-CG2 3.82Å; V150-V179 HydrophobicContact CG1-CG2 3.45Å; V150-V179 VanDerWaalsContact CG1-CG2 3.45Å; F154-V179 HydrophobicContact CB-CG1 4.16Å; F154-V179 HydrophobicContact CD1-CB 4.4Å; F154-V179 HydrophobicContact CD1-CG1 4.08Å; F154-V179 HydrophobicContact CD1-CG2 4.37Å; F154-V179 HydrophobicContact CD2-CG2 4.43Å; F154-V179 HydrophobicContact CG-CG1 4.21Å; F154-V179 HydrophobicContact CG-CG2 4.3Å; I160-V179 HydrophobicContact CD1-CG1 4.28Å; I160-V179 HydrophobicContact CG1-CG1 4.11Å; I160-V179 HydrophobicContact CG2-CG1 3.97Å; E162-V179 CarbonylContact O-C 3.43Å; E162-V179 WeakPolarHBondContact O-CA 3.42Å; V179-F181 HydrophobicContact CG1-CD2 4.41Å; V179-F181 HydrophobicContact CG1-CE2 3.96Å; V179-F181 HydrophobicContact CG1-CZ 4.33Å
180K90.6Very high89.5Confident42 Ų4237.4 Ų37.418%0.18323%0.227CC..EExtended strand (participates in β ladder)trans-123.1126.9179.1-167.6-167176.3-155.10110.7R134 K135 I160 E161 E162R134-K180 WeakPolarHBondContact O-CA 3.42Å; K135-K180 HydrophobicContact CB-CG 4.36Å; K135-K180 HydrophobicContact CG-CB 4.43Å; I160-K180 CarbonylContact C-O 3.51Å; I160-K180 WeakPolarHBondContact CA-O 3.32Å; E161-K180 HydrophobicContact CB-CD 4.37Å; E161-K180 PolarHBondContact N-O 2.85Å; E161-K180 WeakPolarHBondContact OE2-CD 3.27Å; E161-K180 WeakPolarHBondContact OE2-CE 3.32Å; E161-K180 IonicContact OE2-NZ 3.9Å; E161-K180 PolarHBondContact OE2-NZ 2.99Å; E162-K180 HydrophobicContact CB-CB 3.6Å; E162-K180 HydrophobicContact CB-CD 4.16Å; E162-K180 PolarHBondContact N-O 3.27Å; E162-K180 PolarHBondContact O-N 3.18Å
181F90.5Very high89.7Confident0 Ų033.5 Ų33.50%021%0.205CC..EExtended strand (participates in β ladder)trans-96.2158.3178.8-75.1-83.7000112.9R134 L136 F154 F157 H159 I160 V179 S183 E186 A187 A190R134-F181 PolarHBondContact NH1-O 3.4Å; R134-F181 PolarHBondContact O-N 2.84Å; L136-F181 HydrophobicContact CD1-CD2 4.15Å; L136-F181 HydrophobicContact CD1-CE2 3.75Å; F154-F181 HydrophobicContact CB-CZ 3.97Å; F154-F181 AromaticContact CD1-CE2 3.94Å; F154-F181 HydrophobicContact CD1-CE2 3.94Å; F154-F181 AromaticContact CD1-CZ 3.88Å; F154-F181 HydrophobicContact CD1-CZ 3.88Å; F154-F181 HydrophobicContact CG-CZ 4.44Å; F157-F181 HydrophobicContact CB-CE1 4.37Å; F157-F181 HydrophobicContact CB-CZ 4.25Å; H159-F181 CarbonylContact O-C 3.58Å; H159-F181 WeakPolarHBondContact O-CA 3.38Å; I160-F181 HydrophobicContact CG1-CD1 4.31Å; I160-F181 HydrophobicContact CG1-CE1 3.91Å; I160-F181 HydrophobicContact CG1-CZ 4.35Å; V179-F181 HydrophobicContact CG1-CD2 4.41Å; V179-F181 HydrophobicContact CG1-CE2 3.96Å; V179-F181 HydrophobicContact CG1-CZ 4.33Å; F181-S183 VanDerWaalsContact C-N 3.3Å; F181-S183 PolarHBondContact O-N 2.96Å; F181-E186 HydrophobicContact CB-CB 3.91Å; F181-E186 HydrophobicContact CD1-CB 3.67Å; F181-E186 HydrophobicContact CE1-CB 4.36Å; F181-E186 HydrophobicContact CG-CB 3.89Å; F181-A187 HydrophobicContact CB-CB 4.27Å; F181-A187 HydrophobicContact CD2-CB 3.98Å; F181-A187 HydrophobicContact CG-CB 4.46Å; F181-A190 HydrophobicContact CE2-CB 3.55Å; F181-A190 HydrophobicContact CZ-CB 3.63Å
182G82.5Confident90.1Very high32 Ų3239 Ų3933%0.3322%0.221SC..SBendtrans-57.9-40.4172.400000112.9R134 H159R134-G182 VanDerWaalsContact CD-O 3.27Å; R134-G182 WeakPolarHBondContact CD-O 3.49Å; R134-G182 PolarHBondContact NH1-O 3.12Å; H159-G182 PolarHBondContact O-N 3.39Å
183S80.8Confident90.3Very high33 Ų3337.4 Ų37.423%0.23122%0.217CC..SBendtrans-124.7164.5-179.376.10000113.6F181 G185 E186 A187F181-S183 VanDerWaalsContact C-N 3.3Å; F181-S183 PolarHBondContact O-N 2.96Å; S183-G185 PolarHBondContact OG-N 2.89Å; S183-E186 WeakPolarHBondContact CA-OE2 3.42Å; S183-E186 VanDerWaalsContact CB-OE2 3.23Å; S183-E186 WeakPolarHBondContact CB-OE2 3.47Å; S183-E186 PolarHBondContact N-OE2 2.89Å; S183-E186 VanDerWaalsContact OG-CD 3.28Å; S183-E186 VanDerWaalsContact OG-CG 3.26Å; S183-E186 WeakPolarHBondContact OG-CG 3.4Å; S183-E186 PolarHBondContact OG-N 3.25Å; S183-E186 PolarHBondContact OG-OE2 3.33Å; S183-A187 PolarHBondContact O-N 3.45Å
184Q84Confident90.4Very high89 Ų8937.5 Ų37.542%0.41622%0.217SC..Hα-helixtrans-71.5-30.3172.5-174.3176.817.900112D133 R134 A187 Q188D133-Q184 HydrophobicContact CB-CG 3.98Å; R134-Q184 HydrophobicContact CG-CB 4.38Å; Q184-A187 PolarHBondContact O-N 3.08Å; Q184-Q188 WeakPolarHBondContact O-CG 3.17Å; Q184-Q188 PolarHBondContact O-N 3.07Å
185G86.6Confident90.4Very high43 Ų4336.1 Ų36.144%0.44321%0.212SC..Hα-helixtrans-65.1-47.5179.500000112.2S183 A187 Q188 A189S183-G185 PolarHBondContact OG-N 2.89Å; G185-A187 VanDerWaalsContact C-N 3.33Å; G185-A187 PolarHBondContact O-N 2.98Å; G185-Q188 PolarHBondContact O-N 2.86Å; G185-A189 WeakPolarHBondContact O-CB 3.38Å; G185-A189 PolarHBondContact O-N 2.91Å
186E92.3Very high90.4Very high46 Ų4637.4 Ų37.422%0.21523%0.225CC..Hα-helixtrans-58.9-43.5173.7-66.4162.4119.600111.7F157 G158 H159 F181 S183 Q188 A189 A190F157-E186 WeakPolarHBondContact O-CA 3.48Å; F157-E186 VanDerWaalsContact O-CB 3.28Å; F157-E186 WeakPolarHBondContact O-CB 3.4Å; F157-E186 WeakPolarHBondContact O-CG 3.02Å; G158-E186 WeakPolarHBondContact CA-OE1 3.47Å; H159-E186 PolarHBondContact N-OE1 3.07Å; F181-E186 HydrophobicContact CB-CB 3.91Å; F181-E186 HydrophobicContact CD1-CB 3.67Å; F181-E186 HydrophobicContact CE1-CB 4.36Å; F181-E186 HydrophobicContact CG-CB 3.89Å; S183-E186 WeakPolarHBondContact CA-OE2 3.42Å; S183-E186 VanDerWaalsContact CB-OE2 3.23Å; S183-E186 WeakPolarHBondContact CB-OE2 3.47Å; S183-E186 PolarHBondContact N-OE2 2.89Å; S183-E186 VanDerWaalsContact OG-CD 3.28Å; S183-E186 VanDerWaalsContact OG-CG 3.26Å; S183-E186 WeakPolarHBondContact OG-CG 3.4Å; S183-E186 PolarHBondContact OG-N 3.25Å; S183-E186 PolarHBondContact OG-OE2 3.33Å; E186-Q188 PolarHBondContact O-N 3.24Å; E186-A189 PolarHBondContact O-N 3.34Å; E186-A190 WeakPolarHBondContact O-CB 3.49Å; E186-A190 PolarHBondContact O-N 2.85Å
187A91.1Very high90.1Very high0 Ų040.1 Ų40.10%024%0.244CC..Hα-helixtrans-62.3-40.2177.100000112.6L136 F181 S183 Q184 G185 I191L136-A187 HydrophobicContact CD2-CB 4.06Å; L136-A187 HydrophobicContact CG-CB 4.35Å; F181-A187 HydrophobicContact CB-CB 4.27Å; F181-A187 HydrophobicContact CD2-CB 3.98Å; F181-A187 HydrophobicContact CG-CB 4.46Å; S183-A187 PolarHBondContact O-N 3.45Å; Q184-A187 PolarHBondContact O-N 3.08Å; G185-A187 VanDerWaalsContact C-N 3.33Å; G185-A187 PolarHBondContact O-N 2.98Å; A187-I191 WeakPolarHBondContact O-CG1 3.5Å; A187-I191 PolarHBondContact O-N 2.86Å
188Q91.3Very high89.4Confident64 Ų6445.6 Ų45.630%0.29927%0.265SS..Hα-helixtrans-70.6-39.8175.4-68.7-62.5-3600112.3Q184 G185 E186 A190 I191 Q192Q184-Q188 WeakPolarHBondContact O-CG 3.17Å; Q184-Q188 PolarHBondContact O-N 3.07Å; G185-Q188 PolarHBondContact O-N 2.86Å; E186-Q188 PolarHBondContact O-N 3.24Å; Q188-A190 VanDerWaalsContact C-N 3.33Å; Q188-A190 PolarHBondContact O-N 2.95Å; Q188-I191 PolarHBondContact O-N 3.17Å; Q188-Q192 WeakPolarHBondContact O-CG 3.48Å; Q188-Q192 PolarHBondContact O-N 3.07Å
189A93.1Very high88.8Confident42 Ų4247.7 Ų47.735%0.34728%0.28SS..Hα-helixtrans-61.3-41.3173.900000111.7F157 G185 E186 Q192 G193F157-A189 HydrophobicContact CD1-CB 4.48Å; G185-A189 WeakPolarHBondContact O-CB 3.38Å; G185-A189 PolarHBondContact O-N 2.91Å; E186-A189 PolarHBondContact O-N 3.34Å; A189-Q192 PolarHBondContact O-N 3.16Å; A189-G193 PolarHBondContact O-N 3.25Å
190A94.1Very high87.9Confident0 Ų048.2 Ų48.20%028%0.283CS..Hα-helixtrans-64.6-39.4174.500000112.8L136 F154 F157 F181 E186 Q188 L194L136-A190 HydrophobicContact CD1-CB 3.82Å; F154-A190 HydrophobicContact CD1-CB 4.05Å; F154-A190 HydrophobicContact CE1-CB 4.27Å; F157-A190 HydrophobicContact CB-CB 3.75Å; F157-A190 HydrophobicContact CG-CB 4.03Å; F181-A190 HydrophobicContact CE2-CB 3.55Å; F181-A190 HydrophobicContact CZ-CB 3.63Å; E186-A190 WeakPolarHBondContact O-CB 3.49Å; E186-A190 PolarHBondContact O-N 2.85Å; Q188-A190 VanDerWaalsContact C-N 3.33Å; Q188-A190 PolarHBondContact O-N 2.95Å; A190-L194 VanDerWaalsContact O-CB 3.28Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.9Å
191I93.9Very high86.9Confident29 Ų2950.2 Ų50.215%0.14931%0.307CS..Hα-helixtrans-58.9-51.6170.7-68.3163.6000109.8L136 A187 Q188 G193 H195 V209 L211L136-I191 HydrophobicContact CD1-CG1 4.19Å; L136-I191 HydrophobicContact CD2-CD1 3.65Å; L136-I191 HydrophobicContact CD2-CG1 3.74Å; A187-I191 WeakPolarHBondContact O-CG1 3.5Å; A187-I191 PolarHBondContact O-N 2.86Å; Q188-I191 PolarHBondContact O-N 3.17Å; I191-G193 PolarHBondContact O-N 3.17Å; I191-H195 HydrophobicContact CG2-CB 4.46Å; I191-H195 WeakPolarHBondContact O-CB 3.24Å; I191-H195 PolarHBondContact O-N 3.3Å; I191-V209 HydrophobicContact CG1-CG1 4.03Å; I191-L211 HydrophobicContact CD1-CD2 4.13Å; I191-L211 HydrophobicContact CD1-CG 4.17Å
192Q92.8Very high85.9Confident156 Ų15653.4 Ų53.473%0.72934%0.34SS*.Hα-helixtrans-65.1-35.7-174.6-68.6170.52700113.2Q188 A189Q188-Q192 WeakPolarHBondContact O-CG 3.48Å; Q188-Q192 PolarHBondContact O-N 3.07Å; A189-Q192 PolarHBondContact O-N 3.16Å
193G90.4Very high85.6Confident30 Ų3052.9 Ų52.931%0.30933%0.333SS..Hα-helixtrans-87.6-25.9-18000000115.8A189 I191 S197A189-G193 PolarHBondContact O-N 3.25Å; I191-G193 PolarHBondContact O-N 3.17Å; G193-S197 WeakPolarHBondContact O-CB 3.46Å; G193-S197 PolarHBondContact O-OG 2.9Å
194L91.4Very high85.2Confident7 Ų756.9 Ų56.94%0.03736%0.361CS..Hα-helixtrans-113.3-12.9-174.2-62.8174.7000114.8L153 F154 F157 A190 G196 S197 L207 V209L153-L194 HydrophobicContact CD1-CD2 3.84Å; L153-L194 HydrophobicContact CG-CD1 4.17Å; L153-L194 HydrophobicContact CG-CD2 4.13Å; F154-L194 HydrophobicContact CD1-CD1 3.7Å; F154-L194 HydrophobicContact CD2-CD1 3.76Å; F154-L194 HydrophobicContact CE1-CD1 3.6Å; F154-L194 HydrophobicContact CE2-CD1 3.66Å; F154-L194 HydrophobicContact CG-CD1 3.78Å; F154-L194 HydrophobicContact CZ-CB 4.44Å; F154-L194 HydrophobicContact CZ-CD1 3.57Å; F157-L194 HydrophobicContact CD2-CD1 3.84Å; F157-L194 HydrophobicContact CD2-CG 4.21Å; F157-L194 HydrophobicContact CE2-CD1 3.57Å; F157-L194 HydrophobicContact CE2-CD2 3.78Å; F157-L194 HydrophobicContact CE2-CG 3.53Å; F157-L194 HydrophobicContact CZ-CD1 4.32Å; F157-L194 HydrophobicContact CZ-CD2 4.01Å; F157-L194 HydrophobicContact CZ-CG 3.79Å; A190-L194 VanDerWaalsContact O-CB 3.28Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.9Å; L194-G196 PolarHBondContact O-N 3.02Å; L194-S197 WeakPolarHBondContact CA-OG 3.41Å; L194-L207 WeakPolarHBondContact O-CB 3.33Å; L194-V209 HydrophobicContact CB-CG2 3.73Å
195H91.1Very high85.1Confident83 Ų8355.6 Ų55.638%0.38436%0.362SS..SBendtrans-70.5119173.2-168.690.3000110.7I191 S197 V209I191-H195 HydrophobicContact CG2-CB 4.46Å; I191-H195 WeakPolarHBondContact O-CB 3.24Å; I191-H195 PolarHBondContact O-N 3.3Å; H195-S197 PolarHBondContact O-N 3.44Å; H195-V209 HydrophobicContact CB-CB 4.36Å; H195-V209 PolarHBondContact ND1-N 2.8Å; H195-V209 PolarHBondContact ND1-O 3.08Å
196G88.9Confident85.3Confident37 Ų3755.6 Ų55.638%0.38136%0.355SS..SBendtrans73.6-14.7177.300000115.9L194 R198 S206 L207L194-G196 PolarHBondContact O-N 3.02Å; G196-R198 PolarHBondContact O-N 2.99Å; G196-S206 WeakPolarHBondContact O-CB 3.21Å; G196-S206 PolarHBondContact O-OG 2.81Å; G196-L207 PolarHBondContact N-O 3.41Å
197S85.8Confident85.2Confident75 Ų7553.5 Ų53.552%0.52435%0.345SS..SBendtrans-74.3-23-165.364.40000115.8G193 L194 H195G193-S197 WeakPolarHBondContact O-CB 3.46Å; G193-S197 PolarHBondContact O-OG 2.9Å; L194-S197 WeakPolarHBondContact CA-OG 3.41Å; H195-S197 PolarHBondContact O-N 3.44Å
198R78.1Confident85.3Confident115 Ų11555.5 Ų55.543%0.43436%0.357SS..  trans-146.4144.5174.464.5-179.4-65.9-173.7-2.2113.5G196 M200 S206 L207G196-R198 PolarHBondContact O-N 2.99Å; R198-M200 HydrophobicContact CG-SD 4.27Å; R198-M200 PolarHBondContact NE-SD 2.72Å; R198-S206 CarbonylContact O-C 3.52Å; R198-S206 VanDerWaalsContact O-CA 3.3Å; R198-S206 WeakPolarHBondContact O-CA 2.89Å; R198-L207 HydrophobicContact CG-CD1 3.63Å; R198-L207 HydrophobicContact CG-CG 4.29Å; R198-L207 WeakPolarHBondContact O-CG 3.22Å; R198-L207 PolarHBondContact O-N 2.96Å
199T81.2Confident85.4Confident78 Ų7852.4 Ų52.448%0.47934%0.343SS..BIsolated β-bridgetrans-87137.9161.5-57.10000109A203 S206T199-A203 HydrophobicContact CG2-CB 4.41Å; T199-S206 PolarHBondContact OG1-N 3.07Å
200M75.8Confident85.4Confident12 Ų1255.9 Ų55.96%0.05935%0.35CS..PPolyproline II helixtrans-89154.7175.8-60.3-60.4-74.800111.1Q145 L153 R198 G202 A203 L207Q145-M200 HydrophobicContact CG-CE 4.12Å; L153-M200 HydrophobicContact CD2-CE 4.37Å; L153-M200 HydrophobicContact CD2-SD 4.27Å; R198-M200 HydrophobicContact CG-SD 4.27Å; R198-M200 PolarHBondContact NE-SD 2.72Å; M200-G202 PolarHBondContact O-N 3.09Å; M200-A203 HydrophobicContact CB-CB 3.97Å; M200-A203 WeakPolarHBondContact O-CB 3.5Å; M200-A203 PolarHBondContact O-N 3.23Å; M200-L207 HydrophobicContact CG-CD1 4.31Å; M200-L207 HydrophobicContact CG-CD2 3.69Å; M200-L207 HydrophobicContact CG-CG 4.06Å; M200-L207 HydrophobicContact SD-CD1 4.14Å
201A69.8Low85.3Confident83 Ų8359.3 Ų59.369%0.68637%0.368SS*.THydrogen-bonded Turntrans-59.2122.5173.500000110.3
202G69.6Low85Confident67 Ų6758.6 Ų58.669%0.69137%0.366SS*.THydrogen-bonded Turntrans7319.9-174.800000115.3M200M200-G202 PolarHBondContact O-N 3.09Å
203A74.9Confident84.5Confident21 Ų2154 Ų5417%0.17435%0.347CS..  trans-100.8148.8166.300000111.4M140 T199 M200M140-A203 WeakPolarHBondContact O-CB 3.44Å; T199-A203 HydrophobicContact CG2-CB 4.41Å; M200-A203 HydrophobicContact CB-CB 3.97Å; M200-A203 WeakPolarHBondContact O-CB 3.5Å; M200-A203 PolarHBondContact O-N 3.23Å
204S72.1Confident83.8Confident118 Ų11853.8 Ų53.883%0.82534%0.34SS*.SBendtrans-80.6-12.8-178.5-45.50000114.3
205S83.4Confident82.8Confident62 Ų6258.6 Ų58.643%0.43437%0.365SS..SBendtrans-160.7170-173.2-63.20000110.8
206S89.6Confident81.8Confident43 Ų4365.1 Ų65.130%0.30139%0.387SS..BIsolated β-bridgetrans-57.9153169-61.70000112.6M140 G196 R198 T199M140-S206 WeakPolarHBondContact CB-O 3.33Å; G196-S206 WeakPolarHBondContact O-CB 3.21Å; G196-S206 PolarHBondContact O-OG 2.81Å; R198-S206 CarbonylContact O-C 3.52Å; R198-S206 VanDerWaalsContact O-CA 3.3Å; R198-S206 WeakPolarHBondContact O-CA 2.89Å; T199-S206 PolarHBondContact OG1-N 3.07Å
207L91.8Very high81.2Confident1 Ų167.3 Ų67.31%0.00539%0.387CS..  trans-55135.3177.4-70173.3000113V138 L141 L153 L194 G196 R198 M200 V209V138-L207 HydrophobicContact CG1-CD2 4.47Å; L141-L207 HydrophobicContact CD2-CD2 3.7Å; L141-L207 HydrophobicContact CG-CD2 4.24Å; L153-L207 HydrophobicContact CD2-CD1 3.61Å; L194-L207 WeakPolarHBondContact O-CB 3.33Å; G196-L207 PolarHBondContact N-O 3.41Å; R198-L207 HydrophobicContact CG-CD1 3.63Å; R198-L207 HydrophobicContact CG-CG 4.29Å; R198-L207 WeakPolarHBondContact O-CG 3.22Å; R198-L207 PolarHBondContact O-N 2.96Å; M200-L207 HydrophobicContact CG-CD1 4.31Å; M200-L207 HydrophobicContact CG-CD2 3.69Å; M200-L207 HydrophobicContact CG-CG 4.06Å; M200-L207 HydrophobicContact SD-CD1 4.14Å; L207-V209 HydrophobicContact CB-CG2 4.41Å
208V92.3Very high80.8Confident42 Ų4266.9 Ų66.926%0.25537%0.374SS..EExtended strand (participates in β ladder)trans-109.488.1178.2-179.70000108.9G139 M140 K210G139-V208 PolarHBondContact N-O 3.21Å; G139-V208 PolarHBondContact O-N 3.41Å; M140-V208 HydrophobicContact CB-CG2 4.48Å; M140-V208 HydrophobicContact CG-CB 4.46Å; M140-V208 HydrophobicContact CG-CG2 3.71Å; V208-K210 HydrophobicContact CG1-CD 4.49Å; V208-K210 HydrophobicContact CG1-CG 4.42Å
209V93.8Very high80.6Confident0 Ų064.1 Ų64.10%038%0.375CS..EExtended strand (participates in β ladder)trans-94.9119.7178.3-171.60000110L136 F137 V138 F154 I191 L194 H195 L207L136-V209 HydrophobicContact CB-CG1 4.4Å; L136-V209 HydrophobicContact CD1-CG1 3.73Å; F137-V209 WeakPolarHBondContact O-CA 3.41Å; V138-V209 HydrophobicContact CG1-CG2 4.39Å; F154-V209 HydrophobicContact CE1-CG1 3.85Å; F154-V209 HydrophobicContact CE1-CG2 4.24Å; F154-V209 HydrophobicContact CZ-CG1 4.14Å; F154-V209 HydrophobicContact CZ-CG2 3.72Å; I191-V209 HydrophobicContact CG1-CG1 4.03Å; L194-V209 HydrophobicContact CB-CG2 3.73Å; H195-V209 HydrophobicContact CB-CB 4.36Å; H195-V209 PolarHBondContact ND1-N 2.8Å; H195-V209 PolarHBondContact ND1-O 3.08Å; L207-V209 HydrophobicContact CB-CG2 4.41Å
210K92.6Very high80.5Confident115 Ų11565.7 Ų65.750%0.538%0.38SS..EExtended strand (participates in β ladder)trans-144.3167.2178.1-64.2-168.4179.4-1710110.1L136 F137 V208L136-K210 CarbonylContact C-O 3.53Å; L136-K210 WeakPolarHBondContact CA-O 3.33Å; F137-K210 PolarHBondContact N-O 3.02Å; F137-K210 PolarHBondContact O-N 2.78Å; V208-K210 HydrophobicContact CG1-CD 4.49Å; V208-K210 HydrophobicContact CG1-CG 4.42Å
211L91Very high80.7Confident72 Ų7270.9 Ų70.938%0.37740%0.399SS..EExtended strand (participates in β ladder)trans-56.1144.8163.1-65.2177.5000109.9D133 L136 I191D133-L211 WeakPolarHBondContact O-CD2 3.3Å; L136-L211 HydrophobicContact CD2-CD2 3.98Å; I191-L211 HydrophobicContact CD1-CD2 4.13Å; I191-L211 HydrophobicContact CD1-CG 4.17Å
212A88.4Confident81.1Confident13 Ų1374.2 Ų74.211%0.10739%0.394CS..PPolyproline II helixtrans-81126.6179.200000111.4K135 F137 F178 T214K135-A212 HydrophobicContact CB-CB 4.4Å; K135-A212 HydrophobicContact CG-CB 4.23Å; K135-A212 VanDerWaalsContact O-CB 3.28Å; K135-A212 WeakPolarHBondContact O-CB 3.33Å; K135-A212 PolarHBondContact O-N 3.45Å; F137-A212 HydrophobicContact CB-CB 4.38Å; F178-A212 HydrophobicContact CD1-CB 3.84Å; F178-A212 HydrophobicContact CE1-CB 3.67Å; A212-T214 PolarHBondContact O-N 2.98Å
213D82.5Confident81.5Confident59 Ų5977.4 Ų77.432%0.31639%0.393SS..PPolyproline II helixtrans-46.5122.5166.3-80.114.2000110.3R218 R221D213-R218 PolarHBondContact O-NH2 3.25Å; D213-R221 IonicContact OD1-CZ 3.01Å; D213-R221 IonicContact OD1-NH1 3.69Å; D213-R221 PolarHBondContact OD1-NH1 3.01Å; D213-R221 IonicContact OD2-CZ 2.74Å; D213-R221 IonicContact OD2-NH1 3.59Å; D213-R221 PolarHBondContact OD2-NH1 3.3Å
214T76.4Confident81.7Confident27 Ų2783.1 Ų83.117%0.16642%0.416CS..PPolyproline II helixtrans-60.7153.9173.763.90000110.4E132 A212 R216 E217 R218E132-T214 HydrophobicContact CB-CG2 4.06Å; E132-T214 HydrophobicContact CG-CG2 3.82Å; E132-T214 WeakPolarHBondContact OE1-CG2 3.48Å; A212-T214 PolarHBondContact O-N 2.98Å; T214-R216 PolarHBondContact O-N 2.96Å; T214-R216 VanDerWaalsContact O-N 3.15Å; T214-E217 WeakPolarHBondContact CB-OE2 3.26Å; T214-E217 VanDerWaalsContact CG2-OE2 3.28Å; T214-E217 WeakPolarHBondContact CG2-OE2 3.23Å; T214-E217 PolarHBondContact N-OE2 3.32Å; T214-E217 PolarHBondContact O-N 3.19Å; T214-E217 VanDerWaalsContact O-N 3.11Å; T214-E217 WeakPolarHBondContact OG1-CB 3.45Å; T214-E217 VanDerWaalsContact OG1-CG 3.3Å; T214-E217 WeakPolarHBondContact OG1-CG 3.27Å; T214-E217 PolarHBondContact OG1-N 2.76Å; T214-E217 VanDerWaalsContact OG1-N 3.09Å; T214-E217 PolarHBondContact OG1-OE2 2.9Å; T214-R218 WeakPolarHBondContact O-CB 3.33Å; T214-R218 PolarHBondContact O-N 3.25Å
215D70.4Confident81.8Confident107 Ų10784.1 Ų84.157%0.57241%0.408SS*.Hα-helixtrans-64-20.9176.4-93-75.2000112.7R218 A219D215-R218 IonicContact OD1-CZ 2.66Å; D215-R218 IonicContact OD1-NE 2.64Å; D215-R218 IonicContact OD1-NH1 3.4Å; D215-R218 PolarHBondContact OD1-NH1 3.45Å; D215-R218 IonicContact OD2-CZ 3.75Å; D215-R218 IonicContact OD2-NH1 2.72Å; D215-R218 PolarHBondContact OD2-NH1 3.47Å; D215-R218 IonicContact OD2-NH2 2.77Å; D215-A219 VanDerWaalsContact O-CB 3.3Å; D215-A219 WeakPolarHBondContact O-CB 3.25Å; D215-A219 PolarHBondContact O-N 3.39Å
216R70.2Confident81Confident221 Ų22187.8 Ų87.883%0.83442%0.419SS*.Hα-helixtrans-68.8-48.4170.1-172.8177.4-176.6169.4-0.5112.1T214 A219 L220T214-R216 PolarHBondContact O-N 2.96Å; T214-R216 VanDerWaalsContact O-N 3.15Å; R216-A219 PolarHBondContact O-N 3.05Å; R216-L220 WeakPolarHBondContact O-CB 2.9Å; R216-L220 PolarHBondContact O-N 2.74Å
217E76.2Confident79.6Confident83 Ų8388.9 Ų88.939%0.38843%0.431SS..Hα-helixtrans-66.8-37.6174.6-71.6164.1106.800111.9T214 A219 L220 R221T214-E217 WeakPolarHBondContact CB-OE2 3.26Å; T214-E217 VanDerWaalsContact CG2-OE2 3.28Å; T214-E217 WeakPolarHBondContact CG2-OE2 3.23Å; T214-E217 PolarHBondContact N-OE2 3.32Å; T214-E217 PolarHBondContact O-N 3.19Å; T214-E217 VanDerWaalsContact O-N 3.11Å; T214-E217 WeakPolarHBondContact OG1-CB 3.45Å; T214-E217 VanDerWaalsContact OG1-CG 3.3Å; T214-E217 WeakPolarHBondContact OG1-CG 3.27Å; T214-E217 PolarHBondContact OG1-N 2.76Å; T214-E217 VanDerWaalsContact OG1-N 3.09Å; T214-E217 PolarHBondContact OG1-OE2 2.9Å; E217-A219 PolarHBondContact O-N 2.89Å; E217-L220 PolarHBondContact O-N 3.08Å; E217-R221 WeakPolarHBondContact O-CB 3.42Å; E217-R221 WeakPolarHBondContact O-CG 3.27Å; E217-R221 PolarHBondContact O-N 2.74Å
218R77.1Confident77.8Confident65 Ų6590.8 Ų90.825%0.24545%0.451CS..Hα-helixtrans-61.6-42.6175.1-170.2-178.7-59.2146.79.2111.7D213 T214 D215 R222D213-R218 PolarHBondContact O-NH2 3.25Å; T214-R218 WeakPolarHBondContact O-CB 3.33Å; T214-R218 PolarHBondContact O-N 3.25Å; D215-R218 IonicContact OD1-CZ 2.66Å; D215-R218 IonicContact OD1-NE 2.64Å; D215-R218 IonicContact OD1-NH1 3.4Å; D215-R218 PolarHBondContact OD1-NH1 3.45Å; D215-R218 IonicContact OD2-CZ 3.75Å; D215-R218 IonicContact OD2-NH1 2.72Å; D215-R218 PolarHBondContact OD2-NH1 3.47Å; D215-R218 IonicContact OD2-NH2 2.77Å; R218-R222 WeakPolarHBondContact O-CB 3.4Å; R218-R222 VanDerWaalsContact O-CG 3.28Å; R218-R222 WeakPolarHBondContact O-CG 3.15Å; R218-R222 PolarHBondContact O-N 3.41Å
219A72.9Confident75.8Confident57 Ų5796.9 Ų96.947%0.47148%0.477SS..Hα-helixtrans-64.6-44.4173.500000111.7D215 R216 E217 R222 M223D215-A219 VanDerWaalsContact O-CB 3.3Å; D215-A219 WeakPolarHBondContact O-CB 3.25Å; D215-A219 PolarHBondContact O-N 3.39Å; R216-A219 PolarHBondContact O-N 3.05Å; E217-A219 PolarHBondContact O-N 2.89Å; A219-R222 PolarHBondContact O-N 3.45Å; A219-M223 WeakPolarHBondContact O-CB 3.43Å; A219-M223 PolarHBondContact O-N 2.62Å
220L78.8Confident73.7Confident111 Ų111104.7 Ų104.758%0.58152%0.517SS*.Hα-helixtrans-64.6-43.8178.2-173.962.3000112.3R216 E217 M223 Q224R216-L220 WeakPolarHBondContact O-CB 2.9Å; R216-L220 PolarHBondContact O-N 2.74Å; E217-L220 PolarHBondContact O-N 3.08Å; L220-M223 PolarHBondContact O-N 2.73Å; L220-Q224 WeakPolarHBondContact O-CB 3.34Å; L220-Q224 PolarHBondContact O-N 2.7Å
221R80.1Confident71.7Confident121 Ų121102.3 Ų102.346%0.45753%0.525SS..Hα-helixtrans-63.3-41175.2-77.6-178.8171.2170.24.4112D213 E217 Q224 Q225D213-R221 IonicContact OD1-CZ 3.01Å; D213-R221 IonicContact OD1-NH1 3.69Å; D213-R221 PolarHBondContact OD1-NH1 3.01Å; D213-R221 IonicContact OD2-CZ 2.74Å; D213-R221 IonicContact OD2-NH1 3.59Å; D213-R221 PolarHBondContact OD2-NH1 3.3Å; E217-R221 WeakPolarHBondContact O-CB 3.42Å; E217-R221 WeakPolarHBondContact O-CG 3.27Å; E217-R221 PolarHBondContact O-N 2.74Å; R221-Q224 PolarHBondContact O-N 3.24Å; R221-Q225 WeakPolarHBondContact O-CB 3.38Å; R221-Q225 VanDerWaalsContact O-CG 3.26Å; R221-Q225 WeakPolarHBondContact O-CG 3.5Å; R221-Q225 PolarHBondContact O-N 2.91Å
222R79.9Confident69.4Low153 Ų153102.1 Ų102.158%0.57753%0.534SS*.Hα-helixtrans-61.4-46.3173.2-78.3173.9174.2179-1.4111.9R218 A219 Q224 Q225 M226R218-R222 WeakPolarHBondContact O-CB 3.4Å; R218-R222 VanDerWaalsContact O-CG 3.28Å; R218-R222 WeakPolarHBondContact O-CG 3.15Å; R218-R222 PolarHBondContact O-N 3.41Å; A219-R222 PolarHBondContact O-N 3.45Å; R222-Q224 VanDerWaalsContact C-N 3.34Å; R222-Q224 PolarHBondContact O-N 2.91Å; R222-Q225 PolarHBondContact O-N 3.27Å; R222-M226 WeakPolarHBondContact O-CG 3.26Å; R222-M226 PolarHBondContact O-N 3.03Å
223M77.6Confident66.8Low134 Ų134111.1 Ų111.166%0.6657%0.571SS**Hα-helixtrans-59.8-43.6175.7-177.8-179.7-73.600111.6A219 L220 M226 A227A219-M223 WeakPolarHBondContact O-CB 3.43Å; A219-M223 PolarHBondContact O-N 2.62Å; L220-M223 PolarHBondContact O-N 2.73Å; M223-M226 PolarHBondContact O-N 3.11Å; M223-A227 PolarHBondContact O-N 3.45Å
224Q77.6Confident64.6Low142 Ų142115.9 Ų115.966%0.66459%0.591SS**Hα-helixtrans-69.9-34.3179-165.5169.143.800112.9L220 R221 R222 A227 G228L220-Q224 WeakPolarHBondContact O-CB 3.34Å; L220-Q224 PolarHBondContact O-N 2.7Å; R221-Q224 PolarHBondContact O-N 3.24Å; R222-Q224 VanDerWaalsContact C-N 3.34Å; R222-Q224 PolarHBondContact O-N 2.91Å; Q224-A227 PolarHBondContact O-N 3.44Å; Q224-G228 PolarHBondContact O-N 3.3Å
225Q75.8Confident62.9Low139 Ų139121 Ų12165%0.6563%0.625SS**Hα-helixtrans-68-39.1172.7-75.9171.3-12.300112.2R221 R222 G228 Q229R221-Q225 WeakPolarHBondContact O-CB 3.38Å; R221-Q225 VanDerWaalsContact O-CG 3.26Å; R221-Q225 WeakPolarHBondContact O-CG 3.5Å; R221-Q225 PolarHBondContact O-N 2.91Å; R222-Q225 PolarHBondContact O-N 3.27Å; Q225-G228 PolarHBondContact O-N 3.45Å; Q225-Q229 PolarHBondContact O-N 3.33Å; Q225-Q229 VanDerWaalsContact O-N 3.17Å
226M65.6Low61Low139 Ų139120.2 Ų120.269%0.68563%0.633SS**Hα-helixtrans-64.9-40.7173.3-72171.4171.600111.9R222 M223 Q229R222-M226 WeakPolarHBondContact O-CG 3.26Å; R222-M226 PolarHBondContact O-N 3.03Å; M223-M226 PolarHBondContact O-N 3.11Å; M226-Q229 PolarHBondContact O-N 2.88Å
227A59.5Low60.1Low65 Ų65115.6 Ų115.654%0.53763%0.632SS.*Hα-helixtrans-63.9-40.5172.400000112.2M223 Q224 Q229 L230M223-A227 PolarHBondContact O-N 3.45Å; Q224-A227 PolarHBondContact O-N 3.44Å; A227-Q229 VanDerWaalsContact C-N 3.29Å; A227-Q229 PolarHBondContact O-N 3.35Å; A227-L230 PolarHBondContact O-N 3.46Å
228G55.6Low58.1Low41 Ų41119.6 Ų119.642%0.42366%0.655SS.*Hα-helixtrans-62.5-30.5177.800000114.3Q224 Q225 L230 G231Q224-G228 PolarHBondContact O-N 3.3Å; Q225-G228 PolarHBondContact O-N 3.45Å; G228-L230 PolarHBondContact O-N 2.76Å; G228-G231 PolarHBondContact O-N 3.31Å
229Q50Low56.7Low171 Ų171121.8 Ų121.880%0.79968%0.678SS**THydrogen-bonded Turntrans-68.2-15.5177.4-111.5-179.3800114.2Q225 M226 A227Q225-Q229 PolarHBondContact O-N 3.33Å; Q225-Q229 VanDerWaalsContact O-N 3.17Å; M226-Q229 PolarHBondContact O-N 2.88Å; A227-Q229 VanDerWaalsContact C-N 3.29Å; A227-Q229 PolarHBondContact O-N 3.35Å
230L50.2Low54.9Low164 Ų164127.7 Ų127.786%0.85970%0.701SS**THydrogen-bonded Turntrans-95.1-2.8171.8-67172.2000113.3A227 G228A227-L230 PolarHBondContact O-N 3.46Å; G228-L230 PolarHBondContact O-N 2.76Å
231G49.6Very low53.2Low64 Ų64125.6 Ų125.666%0.6671%0.706SS**SBendtrans-109.44.4-177.100000115.4G228G228-G231 PolarHBondContact O-N 3.31Å
232A42.6Very low51.4Low69 Ų69125.3 Ų125.357%0.5773%0.729SS**  trans-10955.1-167.300000114.2
233F33.3Very low49.7Very low201 Ų201124 Ų12488%0.88274%0.742SS**  trans-126.5130.8159.2-92.5-84.6000110.2
234H37.7Very low48Very low159 Ų159119.9 Ų119.974%0.73673%0.734SS**  trans-78.1156-172.4-7.598.3000111.5A236H234-A236 PolarHBondContact O-N 2.98Å
235P39.1Very low46.3Very low136 Ų136117.4 Ų117.488%0.88374%0.738SS**  trans-74.189.7-17330.5-35.8000112.6
236A32.1Very low44.7Very low89 Ų89119.8 Ų119.874%0.73674%0.742SS**  trans-102114.4161.800000109H234 L238H234-A236 PolarHBondContact O-N 2.98Å; A236-L238 PolarHBondContact O-N 3.39Å
237P51.5Low43.6Very low125 Ų125117.9 Ų117.981%0.81274%0.739SS**  trans-83108.1-177.531.5-32.9000111.6
238L33.2Very low43Very low166 Ų166119 Ų11987%0.86974%0.739SS**  trans-148158.9157.6-89.2-178.5000109.7A236A236-L238 PolarHBondContact O-N 3.39Å
239P46.9Very low42.7Very low111 Ų111119.9 Ų119.972%0.72174%0.742SS**  trans-108.4138.8-143.937.6-32.8000114.5
240L36.1Very low42.7Very low182 Ų182116.5 Ų116.595%0.95373%0.728SS**  trans-139.1138.3160.6-139.769.8000110.2
241G43Very low42.9Very low67 Ų67114.9 Ų114.969%0.69172%0.72SS**  trans-85.6-174.5-158.700000117.1C243G241-C243 PolarHBondContact O-N 3.41Å
242A43.2Very low43.2Very low115 Ų115118.7 Ų118.795%0.9572%0.721SS**SBendtrans71.55.6158.900000120.3
243C43.3Very low43.7Very low125 Ų125121.8 Ų121.885%0.84572%0.723SS**SBendtrans-130.819.2173.5-135.70000116.5G241G241-C243 PolarHBondContact O-N 3.41Å
244G42.5Very low44.5Very low47 Ų47119.1 Ų119.149%0.48571%0.713SS.*  trans-99.9-7.3-176.900000117.2T248G244-T248 PolarHBondContact O-OG1 2.79Å
245A42.3Very low45.1Very low91 Ų91114.6 Ų114.675%0.75270%0.703SS**Hα-helixtrans-75.3-37-166.900000114.5
246Y42.3Very low45.6Very low188 Ų188111.2 Ų111.274%0.73769%0.687SS**Hα-helixtrans-80.7-42.2-167.6-167.8-102.8000113.8I250Y246-I250 HydrophobicContact CD1-CD1 4.22Å; Y246-I250 HydrophobicContact CE1-CD1 3.68Å
247T42.3Very low46.5Very low100 Ų100112.7 Ų112.761%0.61368%0.682SS**Hα-helixtrans-67.8-39.6-178.844.40000112.6A249 I250 L251T247-A249 PolarHBondContact O-N 3.29Å; T247-I250 PolarHBondContact O-N 3.35Å; T247-L251 PolarHBondContact O-N 3.11Å
248T47.2Very low46.4Very low88 Ų88113.4 Ų113.454%0.5468%0.678SS.*Hα-helixtrans-63.4-39.9-176.8-47.40000112.3G244 Q252G244-T248 PolarHBondContact O-OG1 2.79Å; T248-Q252 WeakPolarHBondContact O-CB 3.42Å; T248-Q252 PolarHBondContact O-N 3.18Å
249A48Very low47.2Very low59 Ų59109.3 Ų109.349%0.48867%0.668SS.*Hα-helixtrans-66.5-41-179.100000113.2T247 Q252 H253T247-A249 PolarHBondContact O-N 3.29Å; A249-Q252 PolarHBondContact O-N 2.82Å; A249-H253 PolarHBondContact O-N 2.77Å
250I50.7Low47.1Very low101 Ų101108.2 Ų108.252%0.51867%0.669SS.*Hα-helixtrans-68.5-41.2-178.3-64.5177.3000110.8Y246 T247 H253 Q254Y246-I250 HydrophobicContact CD1-CD1 4.22Å; Y246-I250 HydrophobicContact CE1-CD1 3.68Å; T247-I250 PolarHBondContact O-N 3.35Å; I250-H253 PolarHBondContact O-N 2.84Å; I250-Q254 PolarHBondContact O-N 3.5Å
251L53.2Low47.6Very low130 Ų130103.5 Ų103.568%0.68166%0.656SS**Hα-helixtrans-67.4-37.4178.9-166.465.3000111.9T247 Q254 A255T247-L251 PolarHBondContact O-N 3.11Å; L251-Q254 PolarHBondContact O-N 3.26Å; L251-A255 PolarHBondContact O-N 3.09Å
252Q56.8Low47.8Very low144 Ų144109.2 Ų109.267%0.67366%0.664SS**Hα-helixtrans-68.3-34.4178-165.5170.818.500112.8T248 A249 Q254 A255 A256T248-Q252 WeakPolarHBondContact O-CB 3.42Å; T248-Q252 PolarHBondContact O-N 3.18Å; A249-Q252 PolarHBondContact O-N 2.82Å; Q252-Q254 VanDerWaalsContact C-N 3.35Å; Q252-Q254 PolarHBondContact O-N 3.49Å; Q252-A255 PolarHBondContact O-N 2.66Å; Q252-A256 PolarHBondContact O-N 3.43Å
253H52.2Low47.8Very low133 Ų133106.9 Ų106.962%0.61665%0.652SS**Hα-helixtrans-64.4-37.8176.6-170.666.9000112.5A249 I250A249-H253 PolarHBondContact O-N 2.77Å; I250-H253 PolarHBondContact O-N 2.84Å
254Q50.8Low47.7Very low145 Ų145107.7 Ų107.768%0.67866%0.655SS**Hα-helixtrans-71.1-32.7179.5-168.6166.395.900112.9I250 L251 Q252I250-Q254 PolarHBondContact O-N 3.5Å; L251-Q254 PolarHBondContact O-N 3.26Å; Q252-Q254 VanDerWaalsContact C-N 3.35Å; Q252-Q254 PolarHBondContact O-N 3.49Å
255A50.5Low47.4Very low64 Ų64108.8 Ų108.853%0.52967%0.667SS.*Hα-helixtrans-67.6-38.7176.400000112.9L251 Q252 L257 L258 A259L251-A255 PolarHBondContact O-N 3.09Å; Q252-A255 PolarHBondContact O-N 2.66Å; A255-L257 PolarHBondContact O-N 3.11Å; A255-L258 PolarHBondContact O-N 3Å; A255-A259 PolarHBondContact O-N 3Å
256A49.2Very low47.1Very low65 Ų65113.2 Ų113.254%0.53768%0.677SS.*Hα-helixtrans-64.7-39.1-178.300000113.1Q252 L258 A259Q252-A256 PolarHBondContact O-N 3.43Å; A256-L258 VanDerWaalsContact C-N 3.32Å; A256-L258 PolarHBondContact O-N 2.66Å; A256-A259 PolarHBondContact O-N 3.15Å
257L50.7Low46.9Very low121 Ų121107.2 Ų107.263%0.63467%0.672SS**Hα-helixtrans-67.7-29.6178.4-78.2165.4000113.1A255A255-L257 PolarHBondContact O-N 3.11Å
258L50.7Low47.2Very low139 Ų139109 Ų10973%0.72869%0.685SS**Hα-helixtrans-76.8-31.7178.9-138.975.6000112.5A255 A256 A260A255-L258 PolarHBondContact O-N 3Å; A256-L258 VanDerWaalsContact C-N 3.32Å; A256-L258 PolarHBondContact O-N 2.66Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.19Å
259A48.9Very low47.2Very low80 Ų80111.4 Ų111.466%0.66170%0.7SS**Hα-helixtrans-70.1-26.6179.800000113.6A255 A256 A261A255-A259 PolarHBondContact O-N 3Å; A256-A259 PolarHBondContact O-N 3.15Å; A259-A261 VanDerWaalsContact C-N 3.26Å; A259-A261 PolarHBondContact O-N 2.97Å
260A46.3Very low47Very low89 Ų89113.1 Ų113.174%0.73671%0.714SS**THydrogen-bonded Turntrans-75.5-8.2-17900000114.5L258L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.19Å
261A44.9Very low46.7Very low82 Ų82113 Ų11368%0.67873%0.728SS**THydrogen-bonded Turntrans-92.3-1.9-171.100000115.2A259A259-A261 VanDerWaalsContact C-N 3.26Å; A259-A261 PolarHBondContact O-N 2.97Å
262Q48.3Very low46.2Very low187 Ų187113.3 Ų113.387%0.87474%0.735SS**SBendtrans-130.774.7-176-63-168.934.200112.4
263G42.3Very low45.5Very low67 Ų67111.3 Ų111.369%0.69174%0.743SS**  trans-163.5128.4172.300000111.4
264P42.1Very low45Very low141 Ų141109.9 Ų109.992%0.91675%0.754SS**  trans-91.6125.6-174.433.1-32.6000113.6
265G36.3Very low44.8Very low70 Ų70111.9 Ų111.972%0.72276%0.764SS**  trans126.3139.8151.600000118.2
266L35.2Very low44.5Very low185 Ų185117.5 Ų117.597%0.96978%0.781SS**  trans72.3118.4157.5-52.5177.2000120.4
267G38.9Very low44.2Very low62 Ų62123.1 Ų123.164%0.63980%0.796SS**  trans97.7102.8135.100000119.1V269G267-V269 PolarHBondContact O-N 2.82Å
268P48.6Very low44Very low137 Ų137126.8 Ų126.889%0.8981%0.81SS**  trans-88.183.3177.835.1-34.1000113
269V46.1Very low43.5Very low138 Ų138127 Ų12784%0.83682%0.817SS**  trans-136.3-0.4173.7-142.80000115G267G267-V269 PolarHBondContact O-N 2.82Å
270A45.3Very low42.9Very low95 Ų95128.1 Ų128.179%0.78583%0.826SS**  trans-93-2.1-174.200000115.5V272A270-V272 PolarHBondContact O-N 2.8Å
271A43.2Very low42.4Very low98 Ų98128.3 Ų128.381%0.8183%0.827SS**THydrogen-bonded Turntrans-83.7-0.1-163.700000116.5
272V43.8Very low42.1Very low138 Ų138134.7 Ų134.784%0.83684%0.84SS**THydrogen-bonded Turntrans-117.2-0.9-166.9-174.80000113.4A270A270-V272 PolarHBondContact O-N 2.8Å
273A41.3Very low41.4Very low101 Ų101130.8 Ų130.884%0.83583%0.833SS**SBendtrans-90.4-3.1-174.600000115.7
274A42.4Very low41Very low104 Ų104136 Ų13686%0.8684%0.844SS**SBendtrans-109.818.7-163.500000115.9
275Q44.9Very low40.7Very low187 Ų187136.2 Ų136.287%0.87484%0.843SS**SBendtrans-122.721.2-168.4-151.9-177.6-30.500115.6
276M45.8Very low40.2Very low182 Ų182137.3 Ų137.390%0.89785%0.845SS**SBendtrans-147.550.9-169.4-154.6168.4177.100117.6
277Q43.2Very low40.1Very low182 Ų182133 Ų13385%0.8584%0.837SS**  trans-138-0.5166.6-75-160.9-44.900117.2V279Q277-V279 PolarHBondContact O-N 2.87Å
278H45.3Very low40.6Very low199 Ų199135.3 Ų135.392%0.92184%0.84SS**  trans-84.657.4-175.5-78.4-72.1000115.3
279V40Very low39.5Very low144 Ų144136.7 Ų136.787%0.87384%0.839SS**  trans-14455175.6-74.20000113.7Q277Q277-V279 PolarHBondContact O-N 2.87Å
280A36.6Very low38.7Very low103 Ų103138 Ų13885%0.85184%0.84SS**SBendtrans-144.4-13.8-179.200000117.8
281A35.6Very low39Very low93 Ų93139 Ų13977%0.76984%0.839SS**  trans-118.215-166.900000115.4
282F38.3Very low38.1Very low216 Ų216139 Ų13995%0.94784%0.839SS**  trans-107.745.2-176.7-113.5-83000113.3
283S34.6Very low37.3Very low104 Ų104136.9 Ų136.973%0.72784%0.836SS**  trans-160.9135.6164.4-74.10000105.5
284L33.9Very low36.6Very low176 Ų176136.7 Ų136.792%0.92183%0.834SS**  cis-133148.835.3-66.5156.6000112.3
285V35.3Very low35.9Very low146 Ų146136 Ų13689%0.88583%0.828SS**  trans-136.1118.8167.555.30000109.9
286A26.8Very low35Very low93 Ų93134.7 Ų134.777%0.76983%0.828SS**  trans-176.285.7161.900000113.9
287A32.7Very low34.1Very low96 Ų96131.3 Ų131.379%0.79382%0.822SS**  51.2-169.1122.400000120.3
288P49.3Very low34.5Very low110 Ų110128.4 Ų128.471%0.71482%0.818SS**  -131.9-175.2-77.836.4-19.3000115.8
289L26.3Very low34.6Very low166 Ų166124.8 Ų124.887%0.86981%0.813SS**  trans117.5157.8153.3-61171.1000119.2
290L28.2Very low34Very low164 Ų164121.2 Ų121.286%0.85981%0.805SS**  trans-125.2-172.9-178.9-63.4165.3000108
291P50.8Low33.7Very low118 Ų118122.3 Ų122.377%0.76681%0.806SS**  cis-130.5-162.3-16.827.3-2.7000113.2
292A26.2Very low33.3Very low97 Ų97121.2 Ų121.280%0.80281%0.805SS**  trans76.5157.8154.900000119.3
293A26.2Very low33.4Very low93 Ų93117.5 Ų117.577%0.76980%0.802SS**  cis-168.8156.1-29.300000112.4
294A27.2Very low33Very low97 Ų97116 Ų11680%0.80280%0.802SS**  trans64.9146.3150.700000123.2
295A26.1Very low32.8Very low89 Ų89114.5 Ų114.574%0.73680%0.801SS**  trans67.2141.7155.600000118.3
296N26.7Very low32.5Very low161 Ų161115.4 Ų115.486%0.86180%0.8SS**  cis-149.6172.216.3-106.2-32.3000112.8
297S26.8Very low33.1Very low110 Ų110117.1 Ų117.177%0.76980%0.803SS**  trans-111.5-157.6174.1-48.30000110.9
298P50.8Low32.8Very low121 Ų121116.1 Ų116.179%0.78680%0.803SS**  -110.8-137.3-7431.5-9.8000108.7
299P48.2Very low32.1Very low123 Ų123119.2 Ų119.280%0.79981%0.812SS**  cis-139.4-178.6-1342.7-23.6000117.9
300G27.8Very low32.5Very low69 Ų69117.6 Ų117.671%0.71181%0.812SS**  trans102.7151.6160.700000115.6
301S29.8Very low32.7Very low126 Ų126114.1 Ų114.188%0.88181%0.806SS**  cis-160.2155-11.4-73.70000109
302G27.6Very low32.3Very low71 Ų71114 Ų11473%0.73281%0.806SS**  trans-100.7-156.1170.500000112.6
303P40.3Very low32.6Very low138 Ų138117.4 Ų117.490%0.89681%0.809SS**  cis-139-179.5-15.441.6-24.5000114.9
304G27.3Very low32.7Very low71 Ų71116.4 Ų116.473%0.73281%0.808SS**  trans91.7160.4167.800000116.1
305T29Very low32.8Very low146 Ų146118.3 Ų118.390%0.89681%0.809SS**  cis-156.3163.9-6.926.70000110.5
306L29.1Very low33Very low164 Ų164122.3 Ų122.386%0.85982%0.818SS**  trans-62.8168.4167.7-71.6172.6000112.3
307P38.4Very low33.1Very low129 Ų129117.6 Ų117.684%0.83881%0.808SS**  cis-149.5-170.829.844.9-24.3000118.2
308G26.6Very low33.4Very low76 Ų76122.9 Ų122.978%0.78482%0.817SS**  trans132.4129.6147.400000118.6
309L34.2Very low32.4Very low174 Ų174120.5 Ų120.591%0.91181%0.814SS**  trans-108.3157.2165.1-74169.1000109.4
310P36.3Very low32.9Very low132 Ų132120.3 Ų120.386%0.85781%0.813SS**  -149.8-177.492.139.9-21.9000115.4
311A32.2Very low33Very low91 Ų91124.7 Ų124.775%0.75282%0.819SS**  trans-144159.4174.800000112.5
312P42.4Very low32.9Very low115 Ų115124.6 Ų124.675%0.74781%0.814SS**  trans-111.6141.3157.333.7-21.8000111.3
313I31.8Very low33.9Very low170 Ų170126.6 Ų126.687%0.87281%0.814SS**  57.3123.572.1-54.4168.8000111.5
314G29.1Very low33.6Very low72 Ų72128.8 Ų128.874%0.74281%0.812SS**  cis-173.2-157.62.100000108.6
315V27.6Very low33.6Very low136 Ų136130.7 Ų130.782%0.82481%0.809SS**  cis-172.1146.5-12.355.10000108.2
316N31.7Very low33.6Very low173 Ų173131.2 Ų131.293%0.92581%0.807SS**  trans-170.7164.3166.2-109.1-19.9000113
317G29.2Very low33.5Very low63 Ų63125.9 Ų125.965%0.64979%0.792SS**  trans-178.1-172.3176.400000117.7
318F32.1Very low33.1Very low221 Ų221128 Ų12897%0.96979%0.79SS**  trans75.7141.4176.9-71.9-88000120.3
319G29.3Very low34.2Very low70 Ų70130.3 Ų130.372%0.72279%0.792SS**  trans-117.2-136164.500000109.5
320P58.4Low34.1Very low120 Ų120124.7 Ų124.778%0.77978%0.776SS**  cis-136.9-169-4.242.6-24.3000113.9
321L29.8Very low33.8Very low160 Ų160123.4 Ų123.484%0.83877%0.77SS**  trans167.2170.5130-88173.5000113.4
322T28.6Very low33.6Very low125 Ų125125.4 Ų125.477%0.76777%0.768SS**  trans-132.1-179.8-170.864.50000111.8
323P48.6Very low33Very low113 Ų113125.7 Ų125.773%0.73477%0.768SS**  -156.8158.879.141.4-20.9000119.6
324Q33.3Very low32.8Very low184 Ų184124.3 Ų124.386%0.8676%0.761SS**  trans45.6154.7144.3-82.1-169.2-3.500123.1
325T28.1Very low32.7Very low110 Ų110130.6 Ų130.668%0.67576%0.764SS**  cis-162.5174.5-5.9-173.90000106.7
326N28.1Very low32.8Very low157 Ų157130 Ų13084%0.8476%0.757SS**  cis-151.9-173.715.6-154.714000107.5
327G27.9Very low32.6Very low53 Ų53128.6 Ų128.655%0.54675%0.749SS.*  cis-178.5-172.73.600000111.7
328Q29.2Very low32.5Very low172 Ų172128.9 Ų128.980%0.80475%0.752SS**  trans-159.7-179.4-174.1-108.8-106.7-45.300109.9
329P51.4Low32.3Very low126 Ų126126.4 Ų126.482%0.81875%0.748SS**  cis-121.9-176.428.239.1-21.2000114.2
330G30.3Very low32.4Very low56 Ų56128.1 Ų128.158%0.57775%0.748SS**  cis173.1-178.91.800000107.3
331S31.8Very low31.4Very low105 Ų105128.6 Ų128.673%0.73475%0.752SS**  cis-146.1-155.2-9.855.40000106.8
332D26.2Very low31.5Very low132 Ų132131.3 Ų131.371%0.70675%0.752SS**  cis-154.7-146.19.7-143.3-67.2000112.9
333T31.5Very low32.4Very low122 Ų122130.9 Ų130.975%0.74875%0.752SS**  trans-141.2-179.5-161.655.90000114
334L26.3Very low31.5Very low140 Ų140129 Ų12973%0.73375%0.745SS**  cis-175.1164.3-48.8-16564.6000107.9
335Y28.5Very low31.2Very low204 Ų204128.9 Ų128.980%0.875%0.745SS**  trans68.7159.2173.5-77.9-104.2000118.2
336N27.9Very low31.4Very low125 Ų125128.9 Ų128.967%0.66875%0.749SS**  cis-176154-30.9-177.531.6000113.4
337N28Very low32.2Very low143 Ų143127.6 Ų127.677%0.76575%0.749SS**  trans70.4148.1153.9-136.9-2.4000121.8
338G26.7Very low32.2Very low68 Ų68128.3 Ų128.370%0.70176%0.757SS**  trans-176.413-175.500000122.4
339L27.6Very low32.2Very low170 Ų170126.9 Ų126.989%0.8976%0.76SS**  trans63.5161.1166.5-64.2166.7000119.8
340S33Very low31.1Very low105 Ų105125.9 Ų125.973%0.73476%0.762SS**  trans-132.8173.3179.6-48.10000110.7
341P36.7Very low31.1Very low130 Ų130130.3 Ų130.384%0.84477%0.772SS**  -144.8161.994.135-17.5000117.3
342Y31Very low31.8Very low217 Ų217129.8 Ų129.885%0.85177%0.766SS**  trans-84.4-172.3170.3-102.5-67.3000110.9
343P47.8Very low32.1Very low117 Ų117131.8 Ų131.876%0.7678%0.776SS**  cis-132.2-164.72147.8-29.4000113
344A29.9Very low32.3Very low72 Ų72133 Ų13360%0.59577%0.774SS**  cis-155176.7-1.600000107.3
345Q27.8Very low32.8Very low183 Ų183134.2 Ų134.286%0.85578%0.775SS**  cis-159.4157.63.5-141.1161.185.400108.9
346S31.8Very low32.8Very low109 Ų109128.7 Ų128.776%0.76277%0.772SS**  trans-125.5173.4164.8-45.50000107.8
347P44.2Very low32.9Very low130 Ų130133.5 Ų133.584%0.84478%0.782SS**  -160.5164.278.340.7-19.9000119.1
348G28.8Very low33.1Very low68 Ų68131.5 Ų131.570%0.70179%0.786SS**  trans85.2159.5144.300000119.1
349V29Very low33.3Very low143 Ų143131 Ų13187%0.86778%0.781SS**  cis-152.9153.5-6.3-76.90000111.8
350A29.5Very low33.5Very low105 Ų105131.1 Ų131.187%0.86878%0.779SS**  trans52.2147.9146.200000124.1
351D28.7Very low33.5Very low148 Ų148133.5 Ų133.579%0.79178%0.778SS**  trans-92.7-169.9176.2-166-126.5000110.9
352P47.3Very low33.4Very low94 Ų94134.6 Ų134.661%0.6177%0.772SS**  -110.1173-71.837.7-27.8000113.1
353L31.6Very low33.4Very low174 Ų174135.1 Ų135.191%0.91177%0.774SS**  trans-171150.2130.6-109.6164.1000114.7
354Q36.7Very low32.5Very low149 Ų149133.4 Ų133.470%0.69677%0.77SS**  trans-101.6157.7175.3165.263.314.900109.6
355Q37Very low32.5Very low164 Ų164134.5 Ų134.577%0.76678%0.779SS**  trans76.8101162.9-129.2143-82.900118.7
356A27.2Very low32.5Very low89 Ų89129.9 Ų129.974%0.73677%0.772SS**  164.4117.9108.400000112.5
357Y31.9Very low32.6Very low225 Ų225135.3 Ų135.388%0.88278%0.777SS**  -165.5138.6126-132.4-101.5000111.8
358A31.4Very low32.8Very low102 Ų102134 Ų13484%0.84377%0.769SS**  trans-136.5123.9164.200000107.2
359G31.6Very low32.9Very low58 Ų58136.4 Ų136.460%0.59878%0.775SS**  trans172.7104.3-176.300000116.6
360M29.7Very low33Very low172 Ų172133.5 Ų133.585%0.84777%0.766SS**  trans60.194133.1-66.2166.159.700122.2
361H34.7Very low33.2Very low154 Ų154139.1 Ų139.171%0.71377%0.766SS**  65.3124104.4-81-82.7000123.8
362H33.5Very low33.6Very low153 Ų153136.2 Ų136.271%0.70876%0.763SS**  trans102.6153.4137.4-60.5146.2000123.3
363Y31.8Very low33.4Very low228 Ų228137.5 Ų137.589%0.89477%0.771SS**  trans71.1147.4174.7-74.6-99.2000119
364A28.1Very low33.4Very low82 Ų82135.7 Ų135.768%0.67877%0.767SS**  cis-173.3169.2-29.700000111.4
365A30Very low33.3Very low95 Ų95134.5 Ų134.579%0.78578%0.775SS**  trans67.4137.1174.400000116.3
366A27.8Very low33.1Very low86 Ų86132.5 Ų132.571%0.71177%0.774SS**  cis79.713543.300000113
367Y34.1Very low33.2Very low222 Ų222132.8 Ų132.887%0.87178%0.776SS**  cis-146.4-15424.2-128.3-42000112.6
368P47.6Very low33.1Very low103 Ų103131.1 Ų131.167%0.66977%0.774SS**  trans-121.4-164.5-136.947.5-34.1000118.6
369S32Very low33.2Very low119 Ų119132 Ų13283%0.83277%0.772SS**  trans94142.4166.9-66.10000117.6
370A30.1Very low33.2Very low81 Ų81137.9 Ų137.967%0.66978%0.783SS**  cis-164.9177.3-14.400000111.8
371Y34.7Very low33.6Very low224 Ų224138 Ų13888%0.87878%0.782SS**  trans74.982.5165.7-76.4-85.3000121.8
372A36.2Very low33.4Very low87 Ų87136.8 Ų136.872%0.71979%0.787SS**  65.9175.7120.100000119.8
373P44.2Very low33.3Very low121 Ų121134.6 Ų134.679%0.78679%0.789SS**  -132.4148.3-83.638.2-22.6000115.7
374V31.6Very low33.3Very low136 Ų136128.6 Ų128.682%0.82479%0.787SS**  trans-149.5148.3154.5116.70000110.6T376V374-T376 PolarHBondContact O-N 2.91Å
375S34.6Very low33.4Very low123 Ų123131.8 Ų131.886%0.8679%0.792SS**  trans-79.599.7-166.1-56.80000114
376T31.9Very low33.6Very low122 Ų122133 Ų13375%0.74879%0.792SS**  trans-87.7108.7165.7-42.10000110V374 F378V374-T376 PolarHBondContact O-N 2.91Å; T376-F378 PolarHBondContact O-N 3.4Å
377A29.4Very low33.9Very low95 Ų95137 Ų13779%0.78580%0.796SS**  trans-69.4118.2174.100000110.3
378F30.6Very low34.3Very low190 Ų190135.3 Ų135.383%0.83380%0.796SS**  trans-62.7135.3173.1-78.1-103.2000110.1T376 Q380T376-F378 PolarHBondContact O-N 3.4Å; F378-Q380 PolarHBondContact O-N 3.28Å; F378-Q380 VanDerWaalsContact O-N 3.1Å
379P32.3Very low34.7Very low122 Ų122132.9 Ų132.979%0.79278%0.776SS**  trans-63.1114.6161.927.7-31.6000107.7Q381P379-Q381 PolarHBondContact O-N 2.97Å
380Q32.8Very low36.1Very low180 Ų180136.9 Ų136.984%0.84177%0.772SS**  trans-58132.9175.1-73.8-176.1-30.800109.4F378F378-Q380 PolarHBondContact O-N 3.28Å; F378-Q380 VanDerWaalsContact O-N 3.1Å
381Q36.8Very low38Very low176 Ų176137.2 Ų137.282%0.82276%0.76SS**  trans-54.7131.3163.7-68.8178.1-36.600107.9P379 S383P379-Q381 PolarHBondContact O-N 2.97Å; Q381-S383 PolarHBondContact O-N 2.94Å
382P32.4Very low39.5Very low127 Ų127127.4 Ų127.483%0.82573%0.728SS**  trans-65.410317725.8-32.7000108.9A384P382-A384 PolarHBondContact O-N 3.26Å
383S30.1Very low41.3Very low107 Ų107126.9 Ų126.975%0.74872%0.716SS**  trans-45.8127.1173.7-60.40000109.7Q381 L385Q381-S383 PolarHBondContact O-N 2.94Å; S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.07Å
384A32.4Very low42.8Very low103 Ų103127.8 Ų127.885%0.85171%0.71SS**  trans-66.584.9-177.600000111.1P382P382-A384 PolarHBondContact O-N 3.26Å
385L29.9Very low45Very low149 Ų149123 Ų12378%0.7869%0.688SS**  trans-47.5134.9154.5-70.2170000106.9S383 Q387S383-L385 VanDerWaalsContact C-N 3.26Å; S383-L385 PolarHBondContact O-N 3.07Å; L385-Q387 PolarHBondContact O-N 3.47Å
386P34.7Very low47.5Very low121 Ų121117.1 Ų117.179%0.78665%0.647SS**  trans-60.5106.3173.125.9-32.3000106.9Q388P386-Q388 PolarHBondContact O-N 2.98Å
387Q34.1Very low50.3Low169 Ų169112.1 Ų112.179%0.7962%0.616SS**  trans-50121.5177.7-78-177.2-15.400107.1L385 Q389L385-Q387 PolarHBondContact O-N 3.47Å; Q387-Q389 PolarHBondContact O-N 3.01Å
388Q42Very low53.3Low187 Ų187107.6 Ų107.687%0.87458%0.578SS**  trans-71.387.9179.1-172.1171.875.200106.2P386 R390P386-Q388 PolarHBondContact O-N 2.98Å; Q388-R390 PolarHBondContact O-N 2.88Å; Q388-R390 VanDerWaalsContact O-N 3.08Å
389Q55.2Low56.3Low52 Ų52100.9 Ų100.924%0.24355%0.549CS..  trans-59119.6-166.7-80.5171.6-66.200108.4Q387 E391 A425 F441Q387-Q389 PolarHBondContact O-N 3.01Å; Q389-E391 VanDerWaalsContact C-N 3.26Å; Q389-E391 PolarHBondContact O-N 2.73Å; Q389-A425 PolarHBondContact NE2-O 3.31Å; Q389-F441 HydrophobicContact CB-CZ 4.15Å; Q389-F441 HydrophobicContact CG-CZ 4.41Å
390R62.2Low59.2Low202 Ų20295 Ų9576%0.76251%0.511SS*.  trans-70.990.4-179.9-76-177.1171.3172.8-1.6107.8Q388 V423 S424Q388-R390 PolarHBondContact O-N 2.88Å; Q388-R390 VanDerWaalsContact O-N 3.08Å; R390-V423 HydrophobicContact CB-CG1 3.75Å; R390-V423 WeakPolarHBondContact O-CG1 3.41Å; R390-S424 WeakPolarHBondContact O-CB 3.28Å; R390-S424 PolarHBondContact O-OG 3.44Å
391E69.1Low61.9Low88 Ų8890.8 Ų90.841%0.41149%0.488SS..  trans-67.2127.2161.3-61.1-165159.700107Q389 N397 K472Q389-E391 VanDerWaalsContact C-N 3.26Å; Q389-E391 PolarHBondContact O-N 2.73Å; E391-N397 WeakPolarHBondContact CB-OD1 3.11Å; E391-K472 IonicContact OE1-NZ 3.34Å; E391-K472 PolarHBondContact OE1-NZ 2.72Å; E391-K472 IonicContact OE2-NZ 2.63Å; E391-K472 PolarHBondContact OE2-NZ 2.64Å
392G67.3Low64.4Low19 Ų1986.6 Ų86.620%0.19647%0.468CS..  trans-74.1-171178.500000111.4N397 S443G392-N397 PolarHBondContact O-ND2 2.74Å; G392-S443 VanDerWaalsContact CA-OG 3.31Å; G392-S443 WeakPolarHBondContact CA-OG 3.48Å; G392-S443 PolarHBondContact N-OG 3.47Å
393P74.7Confident67.1Low75 Ų7580.6 Ų80.649%0.48743%0.429SS..SBendtrans-57.1162-179.7-15.725.5000112.8C396 N397P393-C396 WeakPolarHBondContact O-CB 3.39Å; P393-C396 PolarHBondContact O-N 3.4Å; P393-C396 PolarHBondContact O-SG 2.99Å; P393-C396 VanDerWaalsContact O-SG 3.37Å; P393-N397 PolarHBondContact O-ND2 3.3Å; P393-N397 VanDerWaalsContact O-ND2 3.12Å
394E74.1Confident69.8Low140 Ų14076.5 Ų76.565%0.65440%0.4SS*.THydrogen-bonded Turntrans-58145.3173.8-59.1-166.514200110.7L82 C396L82-E394 HydrophobicContact CD2-CG 4.32Å; E394-C396 PolarHBondContact O-N 2.64Å
395G79.1Confident72.2Confident35 Ų3576.9 Ų76.936%0.36138%0.384SS..THydrogen-bonded Turntrans74.3-10.6-17000000115.7A450 L471G395-A450 WeakPolarHBondContact O-CB 3.39Å; G395-L471 WeakPolarHBondContact O-CD2 3.2Å
396C87.4Confident74.8Confident0 Ų077.1 Ų77.10%038%0.382CS..  trans-92.8-9.5179-48.20000113.6P393 E394 F444 P447P393-C396 WeakPolarHBondContact O-CB 3.39Å; P393-C396 PolarHBondContact O-N 3.4Å; P393-C396 PolarHBondContact O-SG 2.99Å; P393-C396 VanDerWaalsContact O-SG 3.37Å; E394-C396 PolarHBondContact O-N 2.64Å; C396-F444 WeakPolarHBondContact CB-O 3.42Å; C396-F444 PolarHBondContact O-N 2.72Å; C396-P447 VanDerWaalsContact SG-CD 3.59Å
397N90.5Very high77.2Confident17 Ų1772.9 Ų72.99%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-96.8123.7-174.6-70.6-92.8000110.8E391 G392 P393 S443 K472E391-N397 WeakPolarHBondContact CB-OD1 3.11Å; G392-N397 PolarHBondContact O-ND2 2.74Å; P393-N397 PolarHBondContact O-ND2 3.3Å; P393-N397 VanDerWaalsContact O-ND2 3.12Å; N397-S443 WeakPolarHBondContact OD1-CB 3.19Å; N397-S443 PolarHBondContact OD1-OG 3Å; N397-K472 HydrophobicContact CB-CB 3.94Å; N397-K472 HydrophobicContact CB-CD 4.06Å; N397-K472 WeakPolarHBondContact O-CB 3.37Å; N397-K472 PolarHBondContact O-N 2.88Å
398L91.7Very high79.7Confident0 Ų066.1 Ų66.10%033%0.326CS..EExtended strand (participates in β ladder)trans-107.3147.3178-57.5-171.2000111.9I400 F416 F441 V442 F444 A450 A453 I454 V469 Q470 L471L398-I400 HydrophobicContact CB-CD1 4.16Å; L398-F416 HydrophobicContact CD1-CD1 4.41Å; L398-F416 HydrophobicContact CD1-CE1 4.18Å; L398-F441 WeakPolarHBondContact O-CA 3.42Å; L398-F441 WeakPolarHBondContact O-CB 3.29Å; L398-V442 WeakPolarHBondContact CA-O 3.39Å; L398-V442 WeakPolarHBondContact CB-O 3.42Å; L398-V442 PolarHBondContact N-O 2.96Å; L398-V442 PolarHBondContact O-N 3.39Å; L398-V442 VanDerWaalsContact O-N 3.1Å; L398-F444 HydrophobicContact CD1-CD2 4.27Å; L398-F444 HydrophobicContact CD1-CE2 3.74Å; L398-F444 HydrophobicContact CG-CD2 4.48Å; L398-F444 HydrophobicContact CG-CE2 4.39Å; L398-A450 HydrophobicContact CD2-CB 3.92Å; L398-A450 HydrophobicContact CG-CB 4.27Å; L398-A453 HydrophobicContact CD1-CB 3.76Å; L398-I454 HydrophobicContact CD1-CG1 4.34Å; L398-I454 HydrophobicContact CD2-CD1 3.56Å; L398-I454 HydrophobicContact CD2-CG1 3.65Å; L398-V469 HydrophobicContact CB-CG1 4.45Å; L398-V469 HydrophobicContact CD1-CG1 3.76Å; L398-Q470 CarbonylContact C-O 3.57Å; L398-Q470 WeakPolarHBondContact CA-O 3.39Å; L398-L471 HydrophobicContact CD2-CD2 3.96Å
399F93.1Very high82Confident49 Ų4960.7 Ų60.722%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-113.4130.9166.8-158.3-73000109Y401 F439 Q470F399-Y401 HydrophobicContact CD1-CD1 4.29Å; F399-Y401 AromaticContact CD1-CD2 3.78Å; F399-Y401 HydrophobicContact CD1-CD2 3.78Å; F399-Y401 AromaticContact CD1-CE1 3.94Å; F399-Y401 HydrophobicContact CD1-CE1 3.94Å; F399-Y401 AromaticContact CD1-CE2 3.39Å; F399-Y401 HydrophobicContact CD1-CE2 3.39Å; F399-Y401 HydrophobicContact CD1-CG 4.22Å; F399-Y401 AromaticContact CD1-CZ 3.47Å; F399-Y401 VanDerWaalsContact CD1-CZ 3.47Å; F399-Y401 AromaticContact CE1-CD1 3.79Å; F399-Y401 HydrophobicContact CE1-CD1 3.79Å; F399-Y401 HydrophobicContact CE1-CD2 4.14Å; F399-Y401 AromaticContact CE1-CE1 3.38Å; F399-Y401 HydrophobicContact CE1-CE1 3.38Å; F399-Y401 AromaticContact CE1-CE2 3.77Å; F399-Y401 HydrophobicContact CE1-CE2 3.77Å; F399-Y401 HydrophobicContact CE1-CG 4.14Å; F399-Y401 AromaticContact CE1-CZ 3.37Å; F399-Y401 HydrophobicContact CG-CE2 4.34Å; F399-Y401 HydrophobicContact CZ-CE1 4.23Å; F399-F439 HydrophobicContact CE1-CB 4.04Å; F399-F439 AromaticContact CE1-CD2 3.77Å; F399-F439 HydrophobicContact CE1-CD2 3.77Å; F399-F439 HydrophobicContact CE1-CG 4.18Å; F399-F439 HydrophobicContact CE2-CD2 4.38Å; F399-F439 AromaticContact CZ-CD2 3.39Å; F399-F439 HydrophobicContact CZ-CD2 3.39Å; F399-F439 AromaticContact CZ-CE2 3.81Å; F399-F439 HydrophobicContact CZ-CE2 3.81Å; F399-F439 HydrophobicContact CZ-CG 4.19Å; F399-Q470 PolarHBondContact N-O 2.72Å; F399-Q470 PolarHBondContact O-N 2.96Å
400I92.9Very high83.5Confident0 Ų060.6 Ų60.60%031%0.311CS..EExtended strand (participates in β ladder)trans-119.5123.4-176.7-52.884.2000109.1L398 L403 L412 F416 F439 G440 V442 L467 K468 V469L398-I400 HydrophobicContact CB-CD1 4.16Å; I400-L403 HydrophobicContact CB-CD2 4.29Å; I400-L403 HydrophobicContact CG2-CD2 3.54Å; I400-L403 HydrophobicContact CG2-CG 4.02Å; I400-L412 HydrophobicContact CD1-CD1 4.46Å; I400-F416 HydrophobicContact CD1-CZ 4.47Å; I400-F416 HydrophobicContact CG1-CE1 4.37Å; I400-F416 HydrophobicContact CG1-CE2 4.3Å; I400-F416 HydrophobicContact CG1-CZ 3.79Å; I400-F439 CarbonylContact O-C 3.53Å; I400-F439 WeakPolarHBondContact O-CA 3.33Å; I400-F439 WeakPolarHBondContact O-CB 3.49Å; I400-G440 PolarHBondContact N-O 2.93Å; I400-G440 PolarHBondContact O-N 3.36Å; I400-V442 HydrophobicContact CD1-CB 4.01Å; I400-V442 HydrophobicContact CD1-CG2 3.78Å; I400-L467 HydrophobicContact CG2-CD2 4.21Å; I400-K468 WeakPolarHBondContact CA-O 3.3Å; I400-V469 HydrophobicContact CG1-CG1 4.32Å; I400-V469 HydrophobicContact CG1-CG2 4.13Å; I400-V469 HydrophobicContact CG2-CG2 4.04Å
401Y90.7Very high84.9Confident91 Ų9154.4 Ų54.436%0.35729%0.291SS..EExtended strand (participates in β ladder)trans-107159170.2-54.5-97.8000111.2F399 F439 K468F399-Y401 HydrophobicContact CD1-CD1 4.29Å; F399-Y401 AromaticContact CD1-CD2 3.78Å; F399-Y401 HydrophobicContact CD1-CD2 3.78Å; F399-Y401 AromaticContact CD1-CE1 3.94Å; F399-Y401 HydrophobicContact CD1-CE1 3.94Å; F399-Y401 AromaticContact CD1-CE2 3.39Å; F399-Y401 HydrophobicContact CD1-CE2 3.39Å; F399-Y401 HydrophobicContact CD1-CG 4.22Å; F399-Y401 AromaticContact CD1-CZ 3.47Å; F399-Y401 VanDerWaalsContact CD1-CZ 3.47Å; F399-Y401 AromaticContact CE1-CD1 3.79Å; F399-Y401 HydrophobicContact CE1-CD1 3.79Å; F399-Y401 HydrophobicContact CE1-CD2 4.14Å; F399-Y401 AromaticContact CE1-CE1 3.38Å; F399-Y401 HydrophobicContact CE1-CE1 3.38Å; F399-Y401 AromaticContact CE1-CE2 3.77Å; F399-Y401 HydrophobicContact CE1-CE2 3.77Å; F399-Y401 HydrophobicContact CE1-CG 4.14Å; F399-Y401 AromaticContact CE1-CZ 3.37Å; F399-Y401 HydrophobicContact CG-CE2 4.34Å; F399-Y401 HydrophobicContact CZ-CE1 4.23Å; Y401-F439 HydrophobicContact CD1-CB 4.29Å; Y401-K468 HydrophobicContact CD2-CB 4.45Å; Y401-K468 HydrophobicContact CD2-CD 4.07Å; Y401-K468 HydrophobicContact CD2-CG 4.17Å; Y401-K468 PolarHBondContact N-O 2.91Å; Y401-K468 PolarHBondContact O-N 2.79Å
402H89.3Confident85.9Confident87 Ų8750.2 Ų50.240%0.40327%0.271SS..SBendtrans66.629.4179-43.5149.2000114.9C438 K465 R466 L467H402-C438 WeakPolarHBondContact CA-O 3.46Å; H402-C438 PolarHBondContact N-O 2.9Å; H402-K465 HydrophobicContact CB-CB 4.11Å; H402-K465 HydrophobicContact CB-CD 4.27Å; H402-R466 WeakPolarHBondContact CB-O 2.84Å; H402-R466 PolarHBondContact ND1-O 2.96Å; H402-L467 WeakPolarHBondContact O-CD2 3.39Å
403L89.6Confident87Confident2 Ų252.3 Ų52.31%0.0128%0.277CS..  trans-55.4145.1166.4-63.3176.6000110I400 F407 L412 V427 C438 L467I400-L403 HydrophobicContact CB-CD2 4.29Å; I400-L403 HydrophobicContact CG2-CD2 3.54Å; I400-L403 HydrophobicContact CG2-CG 4.02Å; L403-F407 HydrophobicContact CB-CB 4.41Å; L403-F407 HydrophobicContact CD2-CD1 4.23Å; L403-L412 HydrophobicContact CD1-CD1 4.24Å; L403-L412 HydrophobicContact CD1-CD2 4.26Å; L403-L412 HydrophobicContact CD2-CD1 3.84Å; L403-V427 HydrophobicContact CD1-CG1 4.24Å; L403-V427 HydrophobicContact CD1-CG2 3.85Å; L403-C438 PolarHBondContact N-O 3.15Å; L403-C438 WeakPolarHBondContact O-CA 3.28Å; L403-C438 VanDerWaalsContact O-CB 3.24Å; L403-C438 WeakPolarHBondContact O-CB 3.4Å; L403-L467 HydrophobicContact CD2-CD2 3.93Å
404P85.3Confident87.7Confident20 Ų2054.9 Ų54.913%0.1328%0.283CS..  trans-54.6157.5168.6-26.235.8000112.4E406 F407 I462P404-E406 VanDerWaalsContact C-N 3.27Å; P404-E406 HydrophobicContact CB-CG 4.21Å; P404-E406 PolarHBondContact O-N 3.05Å; P404-F407 HydrophobicContact CB-CB 4.45Å; P404-F407 HydrophobicContact CB-CD2 3.74Å; P404-F407 HydrophobicContact CB-CE2 4.34Å; P404-F407 HydrophobicContact CB-CG 4.26Å; P404-F407 HydrophobicContact CG-CD2 3.6Å; P404-F407 HydrophobicContact CG-CE2 3.81Å; P404-F407 HydrophobicContact CG-CG 4.08Å; P404-F407 HydrophobicContact CG-CZ 4.43Å; P404-F407 PolarHBondContact O-N 3.21Å; P404-I462 HydrophobicContact CG-CB 4.43Å; P404-I462 HydrophobicContact CG-CD1 3.61Å; P404-I462 HydrophobicContact CG-CG1 3.72Å; P404-I462 HydrophobicContact CG-CG2 3.9Å
405Q83.9Confident88.4Confident111 Ų11150 Ų5052%0.51926%0.263SS..THydrogen-bonded Turntrans-70.6-28.5179.3-177.4164.9-23.100111.8S436Q405-S436 WeakPolarHBondContact O-CB 3.3Å
406E84.9Confident88.9Confident155 Ų15548.4 Ų48.472%0.72425%0.246SC*.THydrogen-bonded Turntrans-79.5-8.9174.668.8-108.7-128.700115.2P404 G408P404-E406 VanDerWaalsContact C-N 3.27Å; P404-E406 HydrophobicContact CB-CG 4.21Å; P404-E406 PolarHBondContact O-N 3.05Å; E406-G408 PolarHBondContact O-N 3.26Å
407F84.3Confident89Confident32 Ų3252.7 Ų52.714%0.1427%0.268CS..  trans-74.3117.7-178.5-96.7-134.7000111L403 P404 E411 T415 I462L403-F407 HydrophobicContact CB-CB 4.41Å; L403-F407 HydrophobicContact CD2-CD1 4.23Å; P404-F407 HydrophobicContact CB-CB 4.45Å; P404-F407 HydrophobicContact CB-CD2 3.74Å; P404-F407 HydrophobicContact CB-CE2 4.34Å; P404-F407 HydrophobicContact CB-CG 4.26Å; P404-F407 HydrophobicContact CG-CD2 3.6Å; P404-F407 HydrophobicContact CG-CE2 3.81Å; P404-F407 HydrophobicContact CG-CG 4.08Å; P404-F407 HydrophobicContact CG-CZ 4.43Å; P404-F407 PolarHBondContact O-N 3.21Å; F407-E411 HydrophobicContact CB-CB 4.49Å; F407-E411 HydrophobicContact CD1-CB 3.99Å; F407-E411 HydrophobicContact CD2-CB 4.2Å; F407-E411 HydrophobicContact CE1-CB 4.22Å; F407-E411 HydrophobicContact CE2-CB 4.41Å; F407-E411 HydrophobicContact CG-CB 3.98Å; F407-E411 HydrophobicContact CZ-CB 4.42Å; F407-T415 WeakPolarHBondContact CE1-OG1 3.49Å; F407-I462 HydrophobicContact CE1-CD1 4.18Å; F407-I462 HydrophobicContact CE2-CD1 3.78Å; F407-I462 HydrophobicContact CZ-CD1 3.46Å; F407-I462 VanDerWaalsContact CZ-CD1 3.46Å
408G87.2Confident89.1Confident26 Ų2656.7 Ų56.727%0.26830%0.295SS..  trans-96-174.1168.400000113E406 A410 E411 L412 V427E406-G408 PolarHBondContact O-N 3.26Å; G408-A410 PolarHBondContact O-N 3.35Å; G408-E411 WeakPolarHBondContact CA-OE2 3.34Å; G408-E411 PolarHBondContact N-OE2 3.43Å; G408-E411 VanDerWaalsContact N-OE2 3.12Å; G408-E411 PolarHBondContact O-N 3.17Å; G408-L412 WeakPolarHBondContact O-CB 3.19Å; G408-L412 PolarHBondContact O-N 3.31Å; G408-L412 VanDerWaalsContact O-N 3.11Å; G408-V427 WeakPolarHBondContact O-CG2 3.41Å
409D89.6Confident89Confident73 Ų7358.8 Ų58.839%0.3930%0.304SS..Hα-helixtrans-58.9-35.9176.6-67.7-8.9000111.8I413 K426 V427D409-I413 WeakPolarHBondContact O-CD1 3.45Å; D409-I413 VanDerWaalsContact O-CG1 3.26Å; D409-I413 WeakPolarHBondContact O-CG1 3.18Å; D409-I413 PolarHBondContact O-N 2.92Å; D409-K426 WeakPolarHBondContact OD1-CA 3.07Å; D409-V427 PolarHBondContact OD1-N 2.84Å
410A87.4Confident88.7Confident50 Ų5057.3 Ų57.341%0.41330%0.303SS..Hα-helixtrans-70.9-43.8-178.200000112.6G408 L412 I413 Q414G408-A410 PolarHBondContact O-N 3.35Å; A410-L412 VanDerWaalsContact C-N 3.31Å; A410-I413 PolarHBondContact O-N 3.12Å; A410-Q414 WeakPolarHBondContact O-CG 3.28Å; A410-Q414 PolarHBondContact O-N 3.3Å
411E90.1Very high88.6Confident72 Ų7259.9 Ų59.934%0.33632%0.324SS..Hα-helixtrans-66.6-38177.6-68.657.6-118.300110.1F407 G408 Q414 T415F407-E411 HydrophobicContact CB-CB 4.49Å; F407-E411 HydrophobicContact CD1-CB 3.99Å; F407-E411 HydrophobicContact CD2-CB 4.2Å; F407-E411 HydrophobicContact CE1-CB 4.22Å; F407-E411 HydrophobicContact CE2-CB 4.41Å; F407-E411 HydrophobicContact CG-CB 3.98Å; F407-E411 HydrophobicContact CZ-CB 4.42Å; G408-E411 WeakPolarHBondContact CA-OE2 3.34Å; G408-E411 PolarHBondContact N-OE2 3.43Å; G408-E411 VanDerWaalsContact N-OE2 3.12Å; G408-E411 PolarHBondContact O-N 3.17Å; E411-Q414 PolarHBondContact O-N 2.98Å; E411-T415 VanDerWaalsContact O-CB 3.27Å; E411-T415 WeakPolarHBondContact O-CB 3.38Å; E411-T415 PolarHBondContact O-N 2.86Å; E411-T415 PolarHBondContact O-OG1 3.47Å
412L90.5Very high88.6Confident0 Ų057 Ų570%032%0.316CS..Hα-helixtrans-65.2-38.3174.7-173.761.2000112.2I400 L403 G408 A410 F416 A425 K426 V427 F441 V442I400-L412 HydrophobicContact CD1-CD1 4.46Å; L403-L412 HydrophobicContact CD1-CD1 4.24Å; L403-L412 HydrophobicContact CD1-CD2 4.26Å; L403-L412 HydrophobicContact CD2-CD1 3.84Å; G408-L412 WeakPolarHBondContact O-CB 3.19Å; G408-L412 PolarHBondContact O-N 3.31Å; G408-L412 VanDerWaalsContact O-N 3.11Å; A410-L412 VanDerWaalsContact C-N 3.31Å; L412-F416 HydrophobicContact CD1-CD2 3.86Å; L412-F416 HydrophobicContact CD1-CE2 3.77Å; L412-F416 WeakPolarHBondContact O-CD2 3.35Å; L412-F416 PolarHBondContact O-N 2.99Å; L412-A425 HydrophobicContact CD2-CB 4.18Å; L412-A425 HydrophobicContact CG-CB 4.28Å; L412-K426 WeakPolarHBondContact CD2-O 3.37Å; L412-V427 HydrophobicContact CB-CG2 4.14Å; L412-V427 HydrophobicContact CD2-CG2 3.84Å; L412-F441 WeakPolarHBondContact CD2-O 3.43Å; L412-V442 HydrophobicContact CD1-CG2 3.82Å; L412-V442 HydrophobicContact CD2-CG2 3.95Å; L412-V442 HydrophobicContact CG-CG2 3.59Å
413I90.6Very high88.5Confident63 Ų6355.9 Ų55.932%0.32332%0.315SS..Hα-helixtrans-64.7-54.7171.5-68.8163.4000110.3D409 A410 T415 F416 L417 V422 A425D409-I413 WeakPolarHBondContact O-CD1 3.45Å; D409-I413 VanDerWaalsContact O-CG1 3.26Å; D409-I413 WeakPolarHBondContact O-CG1 3.18Å; D409-I413 PolarHBondContact O-N 2.92Å; A410-I413 PolarHBondContact O-N 3.12Å; I413-T415 VanDerWaalsContact C-N 3.26Å; I413-T415 PolarHBondContact O-N 3.34Å; I413-F416 PolarHBondContact O-N 3.03Å; I413-L417 HydrophobicContact CG2-CD1 3.87Å; I413-L417 HydrophobicContact CG2-CD2 4.41Å; I413-L417 HydrophobicContact CG2-CG 3.87Å; I413-L417 WeakPolarHBondContact O-CG 3.38Å; I413-L417 PolarHBondContact O-N 3.16Å; I413-V422 HydrophobicContact CG1-CG1 4.25Å; I413-A425 HydrophobicContact CD1-CB 4.3Å; I413-A425 HydrophobicContact CG1-CB 3.58Å
414Q89.2Confident88.4Confident129 Ų12956.5 Ų56.560%0.60332%0.32SS*.Hα-helixtrans-56.5-39.8-177.5-74.5-17587.800112.7A410 E411 F416 P418A410-Q414 WeakPolarHBondContact O-CG 3.28Å; A410-Q414 PolarHBondContact O-N 3.3Å; E411-Q414 PolarHBondContact O-N 2.98Å; Q414-F416 VanDerWaalsContact C-N 3.3Å; Q414-F416 PolarHBondContact O-N 3.38Å; Q414-P418 WeakPolarHBondContact O-CD 3.28Å
415T89.1Confident88.7Confident39 Ų3956 Ų5624%0.23932%0.317CS..Hα-helixtrans-66.5-30178.7-57.30000112.8F407 E411 I413 M457F407-T415 WeakPolarHBondContact CE1-OG1 3.49Å; E411-T415 VanDerWaalsContact O-CB 3.27Å; E411-T415 WeakPolarHBondContact O-CB 3.38Å; E411-T415 PolarHBondContact O-N 2.86Å; E411-T415 PolarHBondContact O-OG1 3.47Å; I413-T415 VanDerWaalsContact C-N 3.26Å; I413-T415 PolarHBondContact O-N 3.34Å; T415-M457 HydrophobicContact CG2-CE 3.57Å
416F90.4Very high89Confident1 Ų153.9 Ų53.90%0.00431%0.306CS..Hα-helixtrans-104.5-16-173.9-80.4-99.4000114.8L398 I400 L412 I413 Q414 P418 F419 V422 V442 F444 A453 M457 V469L398-F416 HydrophobicContact CD1-CD1 4.41Å; L398-F416 HydrophobicContact CD1-CE1 4.18Å; I400-F416 HydrophobicContact CD1-CZ 4.47Å; I400-F416 HydrophobicContact CG1-CE1 4.37Å; I400-F416 HydrophobicContact CG1-CE2 4.3Å; I400-F416 HydrophobicContact CG1-CZ 3.79Å; L412-F416 HydrophobicContact CD1-CD2 3.86Å; L412-F416 HydrophobicContact CD1-CE2 3.77Å; L412-F416 WeakPolarHBondContact O-CD2 3.35Å; L412-F416 PolarHBondContact O-N 2.99Å; I413-F416 PolarHBondContact O-N 3.03Å; Q414-F416 VanDerWaalsContact C-N 3.3Å; Q414-F416 PolarHBondContact O-N 3.38Å; F416-P418 VanDerWaalsContact C-N 3.33Å; F416-F419 HydrophobicContact CD1-CD2 4.37Å; F416-F419 WeakPolarHBondContact O-CD2 3.11Å; F416-F419 PolarHBondContact O-N 2.97Å; F416-F419 VanDerWaalsContact O-N 3.16Å; F416-V422 HydrophobicContact CB-CG2 4.3Å; F416-V442 HydrophobicContact CB-CG1 3.98Å; F416-V442 HydrophobicContact CB-CG2 4.25Å; F416-V442 HydrophobicContact CD1-CG1 4.35Å; F416-V442 HydrophobicContact CD1-CG2 4.38Å; F416-V442 HydrophobicContact CD2-CG2 4.11Å; F416-V442 HydrophobicContact CG-CB 4.49Å; F416-V442 HydrophobicContact CG-CG1 4.26Å; F416-V442 HydrophobicContact CG-CG2 3.97Å; F416-F444 HydrophobicContact CB-CZ 4.02Å; F416-F444 HydrophobicContact CD1-CE2 4.27Å; F416-F444 HydrophobicContact CD1-CZ 4.1Å; F416-F444 WeakPolarHBondContact O-CE1 3.5Å; F416-F444 WeakPolarHBondContact O-CZ 3.09Å; F416-A453 HydrophobicContact CD1-CB 3.98Å; F416-A453 HydrophobicContact CE1-CB 4.16Å; F416-M457 HydrophobicContact CE1-CB 4.12Å; F416-M457 HydrophobicContact CE1-CG 4.04Å; F416-M457 HydrophobicContact CZ-CB 3.98Å; F416-M457 HydrophobicContact CZ-CG 4.08Å; F416-V469 HydrophobicContact CE1-CG1 4.15Å; F416-V469 HydrophobicContact CE1-CG2 4.42Å; F416-V469 HydrophobicContact CZ-CG1 4.47Å; F416-V469 HydrophobicContact CZ-CG2 3.99Å
417L89.7Confident89.3Confident90 Ų9046.9 Ų46.947%0.47127%0.274SS..G310 helixtrans-50.6-37.7173.2-84.2174.5000115.3I413 F419 G420 V422I413-L417 HydrophobicContact CG2-CD1 3.87Å; I413-L417 HydrophobicContact CG2-CD2 4.41Å; I413-L417 HydrophobicContact CG2-CG 3.87Å; I413-L417 WeakPolarHBondContact O-CG 3.38Å; I413-L417 PolarHBondContact O-N 3.16Å; L417-F419 PolarHBondContact O-N 2.69Å; L417-G420 PolarHBondContact O-N 2.72Å; L417-G420 VanDerWaalsContact O-N 3.17Å; L417-G420 VanDerWaalsContact O-O 3.12Å; L417-V422 HydrophobicContact CD2-CB 4.45Å; L417-V422 HydrophobicContact CD2-CG2 4.29Å
418P91.4Very high89.4Confident101 Ų10149.1 Ų49.166%0.65628%0.284SS*.G310 helixtrans-61-17.9179.6-26.736.7000114.9Q414 F416Q414-P418 WeakPolarHBondContact O-CD 3.28Å; F416-P418 VanDerWaalsContact C-N 3.33Å
419F89.8Confident89.5Confident43 Ų4351.7 Ų51.719%0.18929%0.294CS..G310 helixtrans-96.3-14.3-179-48.9-66000113.3F416 L417 F444 S449 T452 A453 A456 M457F416-F419 HydrophobicContact CD1-CD2 4.37Å; F416-F419 WeakPolarHBondContact O-CD2 3.11Å; F416-F419 PolarHBondContact O-N 2.97Å; F416-F419 VanDerWaalsContact O-N 3.16Å; L417-F419 PolarHBondContact O-N 2.69Å; F419-F444 HydrophobicContact CB-CE1 4.34Å; F419-F444 HydrophobicContact CB-CZ 4.1Å; F419-S449 WeakPolarHBondContact O-CA 3.39Å; F419-S449 WeakPolarHBondContact O-CB 3.34Å; F419-S449 PolarHBondContact O-OG 2.76Å; F419-T452 HydrophobicContact CD1-CG2 4.13Å; F419-A453 HydrophobicContact CB-CB 3.75Å; F419-A453 HydrophobicContact CD2-CB 3.88Å; F419-A453 HydrophobicContact CG-CB 3.86Å; F419-A456 HydrophobicContact CD1-CB 4.17Å; F419-A456 HydrophobicContact CE1-CB 3.38Å; F419-A456 HydrophobicContact CZ-CB 3.75Å; F419-M457 HydrophobicContact CD2-CG 4.24Å; F419-M457 HydrophobicContact CE2-CG 3.38Å; F419-M457 HydrophobicContact CE2-SD 3.64Å; F419-M457 HydrophobicContact CZ-CG 3.67Å; F419-M457 HydrophobicContact CZ-SD 3.59Å; F419-M457 VanDerWaalsContact CZ-SD 3.59Å
420G87.2Confident89.3Confident18 Ų1850.3 Ų50.319%0.18629%0.287CS..SBendtrans161.9177.8179.700000114.9L417 V422 F444 S449L417-G420 PolarHBondContact O-N 2.72Å; L417-G420 VanDerWaalsContact O-N 3.17Å; L417-G420 VanDerWaalsContact O-O 3.12Å; G420-V422 PolarHBondContact O-N 3.25Å; G420-F444 WeakPolarHBondContact O-CE1 3.37Å; G420-S449 VanDerWaalsContact CA-OG 3.3Å; G420-S449 WeakPolarHBondContact CA-OG 3.47Å
421A89.4Confident88.9Confident54 Ų5459.2 Ų59.245%0.44631%0.31SS..  trans-73.3113.3177.500000111V423 F444 D445A421-V423 PolarHBondContact O-N 3.06Å; A421-F444 WeakPolarHBondContact O-CA 3.49Å; A421-D445 PolarHBondContact O-N 2.85Å; A421-D445 VanDerWaalsContact O-N 3.11Å
422V90.7Very high88.5Confident31 Ų3160.1 Ų60.119%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-79115.3178177.30000109.8I413 F416 L417 G420 S424 A425 V442 S443 F444I413-V422 HydrophobicContact CG1-CG1 4.25Å; F416-V422 HydrophobicContact CB-CG2 4.3Å; L417-V422 HydrophobicContact CD2-CB 4.45Å; L417-V422 HydrophobicContact CD2-CG2 4.29Å; G420-V422 PolarHBondContact O-N 3.25Å; V422-S424 WeakPolarHBondContact CG1-O 3.45Å; V422-A425 HydrophobicContact CG1-CB 4.31Å; V422-V442 HydrophobicContact CG1-CG1 4Å; V422-V442 HydrophobicContact CG2-CG1 3.97Å; V422-S443 CarbonylContact C-O 3.53Å; V422-S443 WeakPolarHBondContact CA-O 3.3Å; V422-F444 HydrophobicContact CG2-CD1 4.27Å; V422-F444 HydrophobicContact CG2-CE1 3.83Å; V422-F444 HydrophobicContact CG2-CZ 4.37Å
423V88.8Confident88.1Confident63 Ų6363.8 Ų63.838%0.38235%0.352SS..EExtended strand (participates in β ladder)trans-80.4-35178.3-179.70000111.3R390 A421 S443 D445R390-V423 HydrophobicContact CB-CG1 3.75Å; R390-V423 WeakPolarHBondContact O-CG1 3.41Å; A421-V423 PolarHBondContact O-N 3.06Å; V423-S443 PolarHBondContact N-O 3.4Å; V423-D445 HydrophobicContact CG2-CB 3.67Å
424S86.9Confident87.7Confident15 Ų1566.9 Ų66.911%0.10537%0.369CS..EExtended strand (participates in β ladder)trans-159155.1169.660.80000111.1R390 V422 S443R390-S424 WeakPolarHBondContact O-CB 3.28Å; R390-S424 PolarHBondContact O-OG 3.44Å; V422-S424 WeakPolarHBondContact CG1-O 3.45Å; S424-S443 PolarHBondContact N-O 2.91Å; S424-S443 PolarHBondContact O-N 2.9Å
425A90.5Very high87.3Confident9 Ų965.5 Ų65.57%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-136.1164.6166.500000109.9Q389 L412 I413 V422 F441 V442Q389-A425 PolarHBondContact NE2-O 3.31Å; L412-A425 HydrophobicContact CD2-CB 4.18Å; L412-A425 HydrophobicContact CG-CB 4.28Å; I413-A425 HydrophobicContact CD1-CB 4.3Å; I413-A425 HydrophobicContact CG1-CB 3.58Å; V422-A425 HydrophobicContact CG1-CB 4.31Å; A425-F441 CarbonylContact C-O 3.34Å; A425-F441 VanDerWaalsContact CA-O 3.22Å; A425-F441 WeakPolarHBondContact CA-O 3.27Å; A425-V442 HydrophobicContact CB-CG2 4.14Å
426K90.8Very high87.1Confident68 Ų6864.2 Ų64.230%0.29636%0.355SS..EExtended strand (participates in β ladder)trans-159138.1166.8-149.7-174.8-152.5151.60112.3D409 L412 F428 G440 F441D409-K426 WeakPolarHBondContact OD1-CA 3.07Å; L412-K426 WeakPolarHBondContact CD2-O 3.37Å; K426-F428 HydrophobicContact CD-CE1 4.45Å; K426-F428 HydrophobicContact CD-CZ 4.41Å; K426-G440 CarbonylContact O-C 3.59Å; K426-G440 WeakPolarHBondContact O-CA 3.28Å; K426-F441 HydrophobicContact CB-CD1 3.82Å; K426-F441 HydrophobicContact CB-CE1 3.44Å; K426-F441 VanDerWaalsContact CB-CE1 3.44Å; K426-F441 HydrophobicContact CB-CE2 4.18Å; K426-F441 HydrophobicContact CB-CG 4.37Å; K426-F441 HydrophobicContact CB-CZ 3.66Å; K426-F441 HydrophobicContact CD-CE1 4.01Å; K426-F441 HydrophobicContact CD-CZ 4.4Å; K426-F441 HydrophobicContact CG-CE1 4.37Å; K426-F441 PolarHBondContact N-O 3.03Å; K426-F441 PolarHBondContact O-N 3.44Å
427V91.1Very high87Confident7 Ų769 Ų694%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-97.2133.2159.1-175.80000108.6L403 G408 D409 L412 V429 S436L403-V427 HydrophobicContact CD1-CG1 4.24Å; L403-V427 HydrophobicContact CD1-CG2 3.85Å; G408-V427 WeakPolarHBondContact O-CG2 3.41Å; D409-V427 PolarHBondContact OD1-N 2.84Å; L412-V427 HydrophobicContact CB-CG2 4.14Å; L412-V427 HydrophobicContact CD2-CG2 3.84Å; V427-V429 PolarHBondContact O-N 2.75Å; V427-S436 VanDerWaalsContact CG1-OG 3.28Å; V427-S436 WeakPolarHBondContact CG1-OG 3.44Å
428F88.1Confident86.9Confident80 Ų8066.1 Ų66.135%0.35136%0.363SS..EExtended strand (participates in β ladder)trans-84.7110.5173.1-76.4-88.1000109.9K426 K437 F439 F441K426-F428 HydrophobicContact CD-CE1 4.45Å; K426-F428 HydrophobicContact CD-CZ 4.41Å; F428-K437 WeakPolarHBondContact O-CB 3.28Å; F428-K437 WeakPolarHBondContact O-CG 3.35Å; F428-K437 PolarHBondContact O-N 2.77Å; F428-F439 HydrophobicContact CB-CD2 4.17Å; F428-F439 HydrophobicContact CB-CE1 4.38Å; F428-F439 HydrophobicContact CB-CE2 3.65Å; F428-F439 HydrophobicContact CB-CZ 3.76Å; F428-F439 AromaticContact CD2-CD2 3.71Å; F428-F439 HydrophobicContact CD2-CD2 3.71Å; F428-F439 AromaticContact CD2-CE2 3.27Å; F428-F439 HydrophobicContact CD2-CE2 3.27Å; F428-F439 HydrophobicContact CD2-CZ 4.17Å; F428-F439 AromaticContact CE2-CE2 3.99Å; F428-F439 HydrophobicContact CE2-CE2 3.99Å; F428-F439 HydrophobicContact CG-CD2 4.27Å; F428-F439 AromaticContact CG-CE2 3.57Å; F428-F439 HydrophobicContact CG-CE2 3.57Å; F428-F439 HydrophobicContact CG-CZ 4.01Å; F428-F439 PolarHBondContact N-O 3.5Å; F428-F441 AromaticContact CE2-CD1 3.84Å; F428-F441 HydrophobicContact CE2-CD1 3.84Å; F428-F441 HydrophobicContact CE2-CE1 4.09Å; F428-F441 HydrophobicContact CZ-CD1 4.36Å; F428-F441 HydrophobicContact CZ-CE1 4.19Å
429V87.9Confident86.9Confident79 Ų7964 Ų6448%0.47934%0.343SS..EExtended strand (participates in β ladder)trans-85.8157.5167.5-62.50000111.5V427 Q435 K437V427-V429 PolarHBondContact O-N 2.75Å; V429-Q435 CarbonylContact C-O 3.55Å; V429-Q435 WeakPolarHBondContact CA-O 3.26Å; V429-K437 WeakPolarHBondContact O-CE 3.05Å
430D84.8Confident87Confident44 Ų4461.9 Ų61.924%0.23533%0.334CS..  trans-82.6131.5166-173.656000111.9A432 T433 N434 Q435 K437D430-A432 VanDerWaalsContact C-N 3.34Å; D430-A432 PolarHBondContact O-N 3.34Å; D430-A432 WeakPolarHBondContact OD2-CB 3.42Å; D430-A432 PolarHBondContact OD2-N 2.84Å; D430-T433 PolarHBondContact OD2-N 2.86Å; D430-T433 VanDerWaalsContact OD2-N 3.11Å; D430-T433 PolarHBondContact OD2-OG1 2.74Å; D430-N434 WeakPolarHBondContact O-CA 3.38Å; D430-N434 PolarHBondContact O-N 2.97Å; D430-Q435 PolarHBondContact N-O 3.01Å; D430-K437 HydrophobicContact CB-CG 4.28Å; D430-K437 WeakPolarHBondContact OD1-CE 3.43Å; D430-K437 IonicContact OD1-NZ 2.62Å; D430-K437 PolarHBondContact OD1-NZ 2.86Å
431R80.4Confident87.3Confident238 Ų23861.8 Ų61.890%0.89833%0.329SS*.THydrogen-bonded Turntrans-77.7-19.6-175.2-169.1174.5178.4-169.5-0.8113.1
432A80.6Confident87.5Confident91 Ų9159.2 Ų59.275%0.75231%0.308SS*.THydrogen-bonded Turntrans-83.4-39177.100000111.8D430D430-A432 VanDerWaalsContact C-N 3.34Å; D430-A432 PolarHBondContact O-N 3.34Å; D430-A432 WeakPolarHBondContact OD2-CB 3.42Å; D430-A432 PolarHBondContact OD2-N 2.84Å
433T83.6Confident87.5Confident77 Ų7757.7 Ų57.747%0.47230%0.299SS..THydrogen-bonded Turntrans-105.4-11-176.465.10000115.1D430 Q435D430-T433 PolarHBondContact OD2-N 2.86Å; D430-T433 VanDerWaalsContact OD2-N 3.11Å; D430-T433 PolarHBondContact OD2-OG1 2.74Å; T433-Q435 PolarHBondContact O-N 2.76Å; T433-Q435 VanDerWaalsContact O-N 3.16Å; T433-Q435 PolarHBondContact OG1-N 2.99Å
434N80.5Confident87.7Confident127 Ų12754.7 Ų54.768%0.67928%0.28SS*.  trans56.414.2-167.9-68.7-79.1000115D430D430-N434 WeakPolarHBondContact O-CA 3.38Å; D430-N434 PolarHBondContact O-N 2.97Å
435Q80.8Confident87.7Confident100 Ų10057.7 Ų57.747%0.46730%0.295SS..  trans-86.6144178.1-59.9-177.124.500111.2V429 D430 T433 K437V429-Q435 CarbonylContact C-O 3.55Å; V429-Q435 WeakPolarHBondContact CA-O 3.26Å; D430-Q435 PolarHBondContact N-O 3.01Å; T433-Q435 PolarHBondContact O-N 2.76Å; T433-Q435 VanDerWaalsContact O-N 3.16Å; T433-Q435 PolarHBondContact OG1-N 2.99Å; Q435-K437 PolarHBondContact O-N 2.61Å
436S86.8Confident87.6Confident13 Ų1359.4 Ų59.49%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-59.6130.1172.6174.20000111Q405 V427 C438Q405-S436 WeakPolarHBondContact O-CB 3.3Å; V427-S436 VanDerWaalsContact CG1-OG 3.28Å; V427-S436 WeakPolarHBondContact CG1-OG 3.44Å; S436-C438 PolarHBondContact O-N 3.41Å; S436-C438 PolarHBondContact OG-N 2.82Å; S436-C438 VanDerWaalsContact OG-N 3.09Å
437K87Confident87.5Confident101 Ų10159.3 Ų59.344%0.43931%0.31SS..EExtended strand (participates in β ladder)trans-72.89.8170.8-55.7-168.3-173.3-133.60112.4F428 V429 D430 Q435 F439F428-K437 WeakPolarHBondContact O-CB 3.28Å; F428-K437 WeakPolarHBondContact O-CG 3.35Å; F428-K437 PolarHBondContact O-N 2.77Å; V429-K437 WeakPolarHBondContact O-CE 3.05Å; D430-K437 HydrophobicContact CB-CG 4.28Å; D430-K437 WeakPolarHBondContact OD1-CE 3.43Å; D430-K437 IonicContact OD1-NZ 2.62Å; D430-K437 PolarHBondContact OD1-NZ 2.86Å; Q435-K437 PolarHBondContact O-N 2.61Å; K437-F439 HydrophobicContact CB-CD1 3.72Å; K437-F439 HydrophobicContact CB-CE1 3.52Å; K437-F439 HydrophobicContact CB-CZ 4.43Å; K437-F439 HydrophobicContact CD-CE1 4.1Å; K437-F439 HydrophobicContact CD-CZ 4.48Å; K437-F439 HydrophobicContact CG-CE1 4.4Å; K437-F439 WeakPolarHBondContact O-CD1 3.35Å; K437-F439 PolarHBondContact O-N 3.06Å
438C87.8Confident87.5Confident29 Ų2963.7 Ų63.720%0.19634%0.336CS..EExtended strand (participates in β ladder)trans60.525.7178.5-560000113.5H402 L403 S436H402-C438 WeakPolarHBondContact CA-O 3.46Å; H402-C438 PolarHBondContact N-O 2.9Å; L403-C438 PolarHBondContact N-O 3.15Å; L403-C438 WeakPolarHBondContact O-CA 3.28Å; L403-C438 VanDerWaalsContact O-CB 3.24Å; L403-C438 WeakPolarHBondContact O-CB 3.4Å; S436-C438 PolarHBondContact O-N 3.41Å; S436-C438 PolarHBondContact OG-N 2.82Å; S436-C438 VanDerWaalsContact OG-N 3.09Å
439F91.8Very high87.7Confident56 Ų5660.6 Ų60.625%0.24632%0.324CS..EExtended strand (participates in β ladder)trans-145.6156.7173.575.3-98.8000112.4F399 I400 Y401 F428 K437F399-F439 HydrophobicContact CE1-CB 4.04Å; F399-F439 AromaticContact CE1-CD2 3.77Å; F399-F439 HydrophobicContact CE1-CD2 3.77Å; F399-F439 HydrophobicContact CE1-CG 4.18Å; F399-F439 HydrophobicContact CE2-CD2 4.38Å; F399-F439 AromaticContact CZ-CD2 3.39Å; F399-F439 HydrophobicContact CZ-CD2 3.39Å; F399-F439 AromaticContact CZ-CE2 3.81Å; F399-F439 HydrophobicContact CZ-CE2 3.81Å; F399-F439 HydrophobicContact CZ-CG 4.19Å; I400-F439 CarbonylContact O-C 3.53Å; I400-F439 WeakPolarHBondContact O-CA 3.33Å; I400-F439 WeakPolarHBondContact O-CB 3.49Å; Y401-F439 HydrophobicContact CD1-CB 4.29Å; F428-F439 HydrophobicContact CB-CD2 4.17Å; F428-F439 HydrophobicContact CB-CE1 4.38Å; F428-F439 HydrophobicContact CB-CE2 3.65Å; F428-F439 HydrophobicContact CB-CZ 3.76Å; F428-F439 AromaticContact CD2-CD2 3.71Å; F428-F439 HydrophobicContact CD2-CD2 3.71Å; F428-F439 AromaticContact CD2-CE2 3.27Å; F428-F439 HydrophobicContact CD2-CE2 3.27Å; F428-F439 HydrophobicContact CD2-CZ 4.17Å; F428-F439 AromaticContact CE2-CE2 3.99Å; F428-F439 HydrophobicContact CE2-CE2 3.99Å; F428-F439 HydrophobicContact CG-CD2 4.27Å; F428-F439 AromaticContact CG-CE2 3.57Å; F428-F439 HydrophobicContact CG-CE2 3.57Å; F428-F439 HydrophobicContact CG-CZ 4.01Å; F428-F439 PolarHBondContact N-O 3.5Å; K437-F439 HydrophobicContact CB-CD1 3.72Å; K437-F439 HydrophobicContact CB-CE1 3.52Å; K437-F439 HydrophobicContact CB-CZ 4.43Å; K437-F439 HydrophobicContact CD-CE1 4.1Å; K437-F439 HydrophobicContact CD-CZ 4.48Å; K437-F439 HydrophobicContact CG-CE1 4.4Å; K437-F439 WeakPolarHBondContact O-CD1 3.35Å; K437-F439 PolarHBondContact O-N 3.06Å
440G91.9Very high87.9Confident0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-162.6-176.3-176.600000113.5I400 K426I400-G440 PolarHBondContact N-O 2.93Å; I400-G440 PolarHBondContact O-N 3.36Å; K426-G440 CarbonylContact O-C 3.59Å; K426-G440 WeakPolarHBondContact O-CA 3.28Å
441F93.3Very high88.2Confident15 Ų1558.7 Ų58.77%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-130.3154.7170.566.9-101.7000111.7Q389 L398 L412 A425 K426 F428Q389-F441 HydrophobicContact CB-CZ 4.15Å; Q389-F441 HydrophobicContact CG-CZ 4.41Å; L398-F441 WeakPolarHBondContact O-CA 3.42Å; L398-F441 WeakPolarHBondContact O-CB 3.29Å; L412-F441 WeakPolarHBondContact CD2-O 3.43Å; A425-F441 CarbonylContact C-O 3.34Å; A425-F441 VanDerWaalsContact CA-O 3.22Å; A425-F441 WeakPolarHBondContact CA-O 3.27Å; K426-F441 HydrophobicContact CB-CD1 3.82Å; K426-F441 HydrophobicContact CB-CE1 3.44Å; K426-F441 VanDerWaalsContact CB-CE1 3.44Å; K426-F441 HydrophobicContact CB-CE2 4.18Å; K426-F441 HydrophobicContact CB-CG 4.37Å; K426-F441 HydrophobicContact CB-CZ 3.66Å; K426-F441 HydrophobicContact CD-CE1 4.01Å; K426-F441 HydrophobicContact CD-CZ 4.4Å; K426-F441 HydrophobicContact CG-CE1 4.37Å; K426-F441 PolarHBondContact N-O 3.03Å; K426-F441 PolarHBondContact O-N 3.44Å; F428-F441 AromaticContact CE2-CD1 3.84Å; F428-F441 HydrophobicContact CE2-CD1 3.84Å; F428-F441 HydrophobicContact CE2-CE1 4.09Å; F428-F441 HydrophobicContact CZ-CD1 4.36Å; F428-F441 HydrophobicContact CZ-CE1 4.19Å
442V92.9Very high88.8Confident0 Ų050.4 Ų50.40%029%0.285CS..EExtended strand (participates in β ladder)trans-134.4126.1170172.40000107L398 I400 L412 F416 V422 A425 F444L398-V442 WeakPolarHBondContact CA-O 3.39Å; L398-V442 WeakPolarHBondContact CB-O 3.42Å; L398-V442 PolarHBondContact N-O 2.96Å; L398-V442 PolarHBondContact O-N 3.39Å; L398-V442 VanDerWaalsContact O-N 3.1Å; I400-V442 HydrophobicContact CD1-CB 4.01Å; I400-V442 HydrophobicContact CD1-CG2 3.78Å; L412-V442 HydrophobicContact CD1-CG2 3.82Å; L412-V442 HydrophobicContact CD2-CG2 3.95Å; L412-V442 HydrophobicContact CG-CG2 3.59Å; F416-V442 HydrophobicContact CB-CG1 3.98Å; F416-V442 HydrophobicContact CB-CG2 4.25Å; F416-V442 HydrophobicContact CD1-CG1 4.35Å; F416-V442 HydrophobicContact CD1-CG2 4.38Å; F416-V442 HydrophobicContact CD2-CG2 4.11Å; F416-V442 HydrophobicContact CG-CB 4.49Å; F416-V442 HydrophobicContact CG-CG1 4.26Å; F416-V442 HydrophobicContact CG-CG2 3.97Å; V422-V442 HydrophobicContact CG1-CG1 4Å; V422-V442 HydrophobicContact CG2-CG1 3.97Å; A425-V442 HydrophobicContact CB-CG2 4.14Å; V442-F444 HydrophobicContact CG1-CD2 4.25Å; V442-F444 HydrophobicContact CG1-CE2 3.82Å; V442-F444 HydrophobicContact CG1-CZ 4.04Å
443S91.6Very high89.3Confident0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-104.3129.4167.5-172.60000110.1G392 N397 V422 V423 S424G392-S443 VanDerWaalsContact CA-OG 3.31Å; G392-S443 WeakPolarHBondContact CA-OG 3.48Å; G392-S443 PolarHBondContact N-OG 3.47Å; N397-S443 WeakPolarHBondContact OD1-CB 3.19Å; N397-S443 PolarHBondContact OD1-OG 3Å; V422-S443 CarbonylContact C-O 3.53Å; V422-S443 WeakPolarHBondContact CA-O 3.3Å; V423-S443 PolarHBondContact N-O 3.4Å; S424-S443 PolarHBondContact N-O 2.91Å; S424-S443 PolarHBondContact O-N 2.9Å
444F91.9Very high89.8Confident0 Ų043.7 Ų43.70%023%0.233CC..EExtended strand (participates in β ladder)trans-86.6170.4164-68.9-79.9000111.2C396 L398 F416 F419 G420 A421 V422 V442 N446 A450 A453C396-F444 WeakPolarHBondContact CB-O 3.42Å; C396-F444 PolarHBondContact O-N 2.72Å; L398-F444 HydrophobicContact CD1-CD2 4.27Å; L398-F444 HydrophobicContact CD1-CE2 3.74Å; L398-F444 HydrophobicContact CG-CD2 4.48Å; L398-F444 HydrophobicContact CG-CE2 4.39Å; F416-F444 HydrophobicContact CB-CZ 4.02Å; F416-F444 HydrophobicContact CD1-CE2 4.27Å; F416-F444 HydrophobicContact CD1-CZ 4.1Å; F416-F444 WeakPolarHBondContact O-CE1 3.5Å; F416-F444 WeakPolarHBondContact O-CZ 3.09Å; F419-F444 HydrophobicContact CB-CE1 4.34Å; F419-F444 HydrophobicContact CB-CZ 4.1Å; G420-F444 WeakPolarHBondContact O-CE1 3.37Å; A421-F444 WeakPolarHBondContact O-CA 3.49Å; V422-F444 HydrophobicContact CG2-CD1 4.27Å; V422-F444 HydrophobicContact CG2-CE1 3.83Å; V422-F444 HydrophobicContact CG2-CZ 4.37Å; V442-F444 HydrophobicContact CG1-CD2 4.25Å; V442-F444 HydrophobicContact CG1-CE2 3.82Å; V442-F444 HydrophobicContact CG1-CZ 4.04Å; F444-N446 WeakPolarHBondContact CB-O 3.4Å; F444-A450 HydrophobicContact CD2-CB 3.92Å; F444-A453 HydrophobicContact CE2-CB 3.65Å; F444-A453 HydrophobicContact CZ-CB 3.83Å
445D88.5Confident90.3Very high77 Ų7745 Ų4541%0.41224%0.236SC..SBendtrans-80.2-26.7170.766.7-26.8000112.7A421 V423A421-D445 PolarHBondContact O-N 2.85Å; A421-D445 VanDerWaalsContact O-N 3.11Å; V423-D445 HydrophobicContact CG2-CB 3.67Å
446N87.7Confident90.7Very high46 Ų4642.6 Ų42.625%0.24623%0.233CC..SBendtrans-134151.8-175.981.787.1000112.2F444 T448 S449F444-N446 WeakPolarHBondContact CB-O 3.4Å; N446-T448 WeakPolarHBondContact OD1-CA 3.31Å; N446-T448 VanDerWaalsContact OD1-CB 3.32Å; N446-T448 WeakPolarHBondContact OD1-CB 3.19Å; N446-T448 PolarHBondContact OD1-N 2.96Å; N446-T448 VanDerWaalsContact OD1-N 3.11Å; N446-S449 WeakPolarHBondContact ND2-CB 3.39Å; N446-S449 PolarHBondContact ND2-OG 2.88Å; N446-S449 PolarHBondContact OD1-N 2.89Å; N446-S449 PolarHBondContact OD1-OG 3Å
447P88.4Confident90.9Very high66 Ų6642.6 Ų42.643%0.42923%0.231SC..Hα-helixtrans-77.5-23.7-173.830.3-34.9000112.9C396 A450 Q451C396-P447 VanDerWaalsContact SG-CD 3.59Å; P447-A450 PolarHBondContact O-N 3.02Å; P447-Q451 WeakPolarHBondContact O-CG 3.24Å; P447-Q451 PolarHBondContact O-N 3.33Å
448T90.9Very high91.1Very high98 Ų9841.5 Ų41.560%0.60123%0.23SC*.Hα-helixtrans-64.5-46.7178.1-48.20000110.4N446 A450 Q451 T452N446-T448 WeakPolarHBondContact OD1-CA 3.31Å; N446-T448 VanDerWaalsContact OD1-CB 3.32Å; N446-T448 WeakPolarHBondContact OD1-CB 3.19Å; N446-T448 PolarHBondContact OD1-N 2.96Å; N446-T448 VanDerWaalsContact OD1-N 3.11Å; T448-A450 VanDerWaalsContact C-N 3.31Å; T448-A450 PolarHBondContact O-N 3.3Å; T448-Q451 PolarHBondContact O-N 3.21Å; T448-Q451 VanDerWaalsContact O-N 3.15Å; T448-T452 PolarHBondContact O-N 2.88Å; T448-T452 PolarHBondContact O-OG1 2.95Å; T448-T452 VanDerWaalsContact O-OG1 3.05Å
449S93Very high91.1Very high15 Ų1541.5 Ų41.511%0.10524%0.235CC..Hα-helixtrans-58.6-40173.2-73.70000113.2F419 G420 N446 T452 A453F419-S449 WeakPolarHBondContact O-CA 3.39Å; F419-S449 WeakPolarHBondContact O-CB 3.34Å; F419-S449 PolarHBondContact O-OG 2.76Å; G420-S449 VanDerWaalsContact CA-OG 3.3Å; G420-S449 WeakPolarHBondContact CA-OG 3.47Å; N446-S449 WeakPolarHBondContact ND2-CB 3.39Å; N446-S449 PolarHBondContact ND2-OG 2.88Å; N446-S449 PolarHBondContact OD1-N 2.89Å; N446-S449 PolarHBondContact OD1-OG 3Å; S449-T452 PolarHBondContact O-N 3.44Å; S449-A453 VanDerWaalsContact O-CB 3.28Å; S449-A453 WeakPolarHBondContact O-CB 3.28Å; S449-A453 PolarHBondContact O-N 2.77Å
450A91.6Very high91Very high0 Ų043.7 Ų43.70%025%0.245CC..Hα-helixtrans-63.7-40.1175.200000112.2G395 L398 F444 P447 T448 I454G395-A450 WeakPolarHBondContact O-CB 3.39Å; L398-A450 HydrophobicContact CD2-CB 3.92Å; L398-A450 HydrophobicContact CG-CB 4.27Å; F444-A450 HydrophobicContact CD2-CB 3.92Å; P447-A450 PolarHBondContact O-N 3.02Å; T448-A450 VanDerWaalsContact C-N 3.31Å; T448-A450 PolarHBondContact O-N 3.3Å; A450-I454 VanDerWaalsContact O-CG1 3.31Å; A450-I454 WeakPolarHBondContact O-CG1 3.31Å; A450-I454 PolarHBondContact O-N 2.88Å
451Q91.9Very high90.7Very high83 Ų8348.8 Ų48.839%0.38827%0.269SS..Hα-helixtrans-67.5-44.8174.3-67.8-67.1-10.800112.4P447 T448 A453 I454 Q455P447-Q451 WeakPolarHBondContact O-CG 3.24Å; P447-Q451 PolarHBondContact O-N 3.33Å; T448-Q451 PolarHBondContact O-N 3.21Å; T448-Q451 VanDerWaalsContact O-N 3.15Å; Q451-A453 VanDerWaalsContact C-N 3.32Å; Q451-A453 PolarHBondContact O-N 3.47Å; Q451-I454 PolarHBondContact O-N 3.21Å; Q451-Q455 WeakPolarHBondContact O-CG 3.11Å; Q451-Q455 PolarHBondContact O-N 2.81Å
452T91.9Very high90.1Very high65 Ų6549.9 Ų49.940%0.39928%0.275SS..Hα-helixtrans-59.7-43.3176.1-54.50000111.3F419 T448 S449 Q455 A456F419-T452 HydrophobicContact CD1-CG2 4.13Å; T448-T452 PolarHBondContact O-N 2.88Å; T448-T452 PolarHBondContact O-OG1 2.95Å; T448-T452 VanDerWaalsContact O-OG1 3.05Å; S449-T452 PolarHBondContact O-N 3.44Å; T452-Q455 PolarHBondContact O-N 2.85Å; T452-A456 WeakPolarHBondContact O-CB 3.23Å; T452-A456 PolarHBondContact O-N 3.33Å
453A92.4Very high89.5Confident0 Ų053.1 Ų53.10%031%0.309CS..Hα-helixtrans-63.6-38.5175.300000112.8L398 F416 F419 F444 S449 Q451 M457L398-A453 HydrophobicContact CD1-CB 3.76Å; F416-A453 HydrophobicContact CD1-CB 3.98Å; F416-A453 HydrophobicContact CE1-CB 4.16Å; F419-A453 HydrophobicContact CB-CB 3.75Å; F419-A453 HydrophobicContact CD2-CB 3.88Å; F419-A453 HydrophobicContact CG-CB 3.86Å; F444-A453 HydrophobicContact CE2-CB 3.65Å; F444-A453 HydrophobicContact CZ-CB 3.83Å; S449-A453 VanDerWaalsContact O-CB 3.28Å; S449-A453 WeakPolarHBondContact O-CB 3.28Å; S449-A453 PolarHBondContact O-N 2.77Å; Q451-A453 VanDerWaalsContact C-N 3.32Å; Q451-A453 PolarHBondContact O-N 3.47Å; A453-M457 VanDerWaalsContact O-CB 3.23Å; A453-M457 WeakPolarHBondContact O-CB 3.22Å; A453-M457 PolarHBondContact O-N 3.34Å
454I93.3Very high88.9Confident27 Ų2762.3 Ų62.314%0.13835%0.354CS..Hα-helixtrans-61.2-49.3171.3-70.3161000110.2L398 A450 Q451 A456 N458 V469 L471L398-I454 HydrophobicContact CD1-CG1 4.34Å; L398-I454 HydrophobicContact CD2-CD1 3.56Å; L398-I454 HydrophobicContact CD2-CG1 3.65Å; A450-I454 VanDerWaalsContact O-CG1 3.31Å; A450-I454 WeakPolarHBondContact O-CG1 3.31Å; A450-I454 PolarHBondContact O-N 2.88Å; Q451-I454 PolarHBondContact O-N 3.21Å; I454-A456 VanDerWaalsContact C-N 3.33Å; I454-A456 PolarHBondContact O-N 3.1Å; I454-N458 HydrophobicContact CG2-CB 4.32Å; I454-N458 WeakPolarHBondContact O-CB 3.38Å; I454-N458 PolarHBondContact O-N 3.32Å; I454-V469 HydrophobicContact CG1-CG1 3.97Å; I454-L471 HydrophobicContact CD1-CD2 3.83Å; I454-L471 HydrophobicContact CD1-CG 3.78Å
455Q91.8Very high88.6Confident155 Ų15567.8 Ų67.872%0.72438%0.378SS*.Hα-helixtrans-63.4-36.3-176-69.717527.400113Q451 T452Q451-Q455 WeakPolarHBondContact O-CG 3.11Å; Q451-Q455 PolarHBondContact O-N 2.81Å; T452-Q455 PolarHBondContact O-N 2.85Å
456A88.9Confident88.6Confident49 Ų4971 Ų7141%0.40538%0.384SS..Hα-helixtrans-85-39.6179.800000114.1F419 T452 I454F419-A456 HydrophobicContact CD1-CB 4.17Å; F419-A456 HydrophobicContact CE1-CB 3.38Å; F419-A456 HydrophobicContact CZ-CB 3.75Å; T452-A456 WeakPolarHBondContact O-CB 3.23Å; T452-A456 PolarHBondContact O-N 3.33Å; I454-A456 VanDerWaalsContact C-N 3.33Å; I454-A456 PolarHBondContact O-N 3.1Å
457M90.3Very high88.8Confident13 Ų1368.9 Ų68.96%0.06437%0.373CS..Hα-helixtrans-101.1-17.2-169.8-59.2-59.2-60.600114.3T415 F416 F419 A453 G459 F460 L467 V469T415-M457 HydrophobicContact CG2-CE 3.57Å; F416-M457 HydrophobicContact CE1-CB 4.12Å; F416-M457 HydrophobicContact CE1-CG 4.04Å; F416-M457 HydrophobicContact CZ-CB 3.98Å; F416-M457 HydrophobicContact CZ-CG 4.08Å; F419-M457 HydrophobicContact CD2-CG 4.24Å; F419-M457 HydrophobicContact CE2-CG 3.38Å; F419-M457 HydrophobicContact CE2-SD 3.64Å; F419-M457 HydrophobicContact CZ-CG 3.67Å; F419-M457 HydrophobicContact CZ-SD 3.59Å; F419-M457 VanDerWaalsContact CZ-SD 3.59Å; A453-M457 VanDerWaalsContact O-CB 3.23Å; A453-M457 WeakPolarHBondContact O-CB 3.22Å; A453-M457 PolarHBondContact O-N 3.34Å; M457-G459 PolarHBondContact O-N 3.3Å; M457-F460 HydrophobicContact CE-CB 4.26Å; M457-F460 HydrophobicContact CE-CD1 3.98Å; M457-F460 HydrophobicContact CE-CE1 4.5Å; M457-F460 HydrophobicContact CE-CG 4Å; M457-F460 VanDerWaalsContact O-CB 3.28Å; M457-F460 WeakPolarHBondContact O-CB 3.35Å; M457-F460 PolarHBondContact O-N 3.14Å; M457-L467 HydrophobicContact CE-CD1 3.76Å; M457-V469 HydrophobicContact CB-CG2 3.84Å
458N91.1Very high88.9Confident77 Ų7769.6 Ų69.641%0.41237%0.369SS..THydrogen-bonded Turntrans-72.8118.2175.6-17346.2000110.6I454 K468 V469I454-N458 HydrophobicContact CG2-CB 4.32Å; I454-N458 WeakPolarHBondContact O-CB 3.38Å; I454-N458 PolarHBondContact O-N 3.32Å; N458-K468 WeakPolarHBondContact OD1-CA 3.21Å; N458-V469 HydrophobicContact CB-CB 4.05Å; N458-V469 PolarHBondContact OD1-N 2.93Å; N458-V469 PolarHBondContact OD1-O 3.27Å
459G87.8Confident89Confident30 Ų3065 Ų6531%0.30934%0.34SS..THydrogen-bonded Turntrans89.7-4.9-173.200000114.4M457 Q461 R466 L467M457-G459 PolarHBondContact O-N 3.3Å; G459-Q461 PolarHBondContact O-N 3.36Å; G459-R466 WeakPolarHBondContact O-CD 3.32Å; G459-R466 WeakPolarHBondContact O-CG 3.49Å; G459-R466 PolarHBondContact O-NH1 3.43Å; G459-L467 WeakPolarHBondContact CA-O 3.14Å; G459-L467 PolarHBondContact N-O 3.14Å
460F89.3Confident88.9Confident101 Ų10168.2 Ų68.244%0.44335%0.354SS..  trans-59.5130.2176.4-176-90.9000110.7M457 I462 R466 L467M457-F460 HydrophobicContact CE-CB 4.26Å; M457-F460 HydrophobicContact CE-CD1 3.98Å; M457-F460 HydrophobicContact CE-CE1 4.5Å; M457-F460 HydrophobicContact CE-CG 4Å; M457-F460 VanDerWaalsContact O-CB 3.28Å; M457-F460 WeakPolarHBondContact O-CB 3.35Å; M457-F460 PolarHBondContact O-N 3.14Å; F460-I462 HydrophobicContact CD1-CB 4.47Å; F460-I462 HydrophobicContact CE1-CB 4.43Å; F460-R466 CarbonylContact O-C 3.44Å; F460-R466 VanDerWaalsContact O-CA 3.31Å; F460-R466 WeakPolarHBondContact O-CA 3.4Å; F460-L467 HydrophobicContact CB-CD1 4.47Å; F460-L467 HydrophobicContact CD1-CD1 4.15Å; F460-L467 PolarHBondContact O-N 3.44Å
461Q86.6Confident88.8Confident108 Ų10871.6 Ų71.651%0.50537%0.372SS..EExtended strand (participates in β ladder)trans-89.8125.1-175.6-175.6170.6-2300110.9G459 K465 R466G459-Q461 PolarHBondContact O-N 3.36Å; Q461-K465 WeakPolarHBondContact CA-O 3.48Å; Q461-R466 HydrophobicContact CB-CG 4.1Å; Q461-R466 HydrophobicContact CG-CG 4.41Å
462I80.9Confident88.5Confident37 Ų3771.3 Ų71.319%0.1937%0.369CS..EExtended strand (participates in β ladder)trans-134.1118.3177.7-165.4164.1000109.4P404 F407 F460 M464 K465 L467P404-I462 HydrophobicContact CG-CB 4.43Å; P404-I462 HydrophobicContact CG-CD1 3.61Å; P404-I462 HydrophobicContact CG-CG1 3.72Å; P404-I462 HydrophobicContact CG-CG2 3.9Å; F407-I462 HydrophobicContact CE1-CD1 4.18Å; F407-I462 HydrophobicContact CE2-CD1 3.78Å; F407-I462 HydrophobicContact CZ-CD1 3.46Å; F407-I462 VanDerWaalsContact CZ-CD1 3.46Å; F460-I462 HydrophobicContact CD1-CB 4.47Å; F460-I462 HydrophobicContact CE1-CB 4.43Å; I462-M464 PolarHBondContact O-N 3.04Å; I462-K465 PolarHBondContact N-O 3.19Å; I462-K465 PolarHBondContact O-N 3.23Å; I462-K465 VanDerWaalsContact O-N 3.17Å; I462-K465 VanDerWaalsContact O-O 3.05Å; I462-L467 HydrophobicContact CG2-CD1 4.41Å; I462-L467 HydrophobicContact CG2-CD2 3.77Å; I462-L467 HydrophobicContact CG2-CG 3.8Å
463G79.6Confident87.8Confident69 Ų6976.7 Ų76.771%0.71138%0.382SS*.THydrogen-bonded Turntrans53.1-127.1-165.100000111.9
464M79.9Confident86.3Confident193 Ų19380.4 Ų80.495%0.95141%0.406SS*.THydrogen-bonded Turntrans-88.52.6-178.9-61.6-174.3-72.400114.6I462I462-M464 PolarHBondContact O-N 3.04Å
465K84Confident84.6Confident115 Ų11588.1 Ų88.150%0.544%0.439SS..EExtended strand (participates in β ladder)trans-126.8160.8-175.1-66-179.3-176.6170.80111.6H402 Q461 I462H402-K465 HydrophobicContact CB-CB 4.11Å; H402-K465 HydrophobicContact CB-CD 4.27Å; Q461-K465 WeakPolarHBondContact CA-O 3.48Å; I462-K465 PolarHBondContact N-O 3.19Å; I462-K465 PolarHBondContact O-N 3.23Å; I462-K465 VanDerWaalsContact O-N 3.17Å; I462-K465 VanDerWaalsContact O-O 3.05Å
466R89.1Confident82.6Confident143 Ų14385.7 Ų85.754%0.5443%0.431SS..EExtended strand (participates in β ladder)trans-105.3127.5169.8-70.2-179.6-179.3-86.5-3.6109.6H402 G459 F460 Q461H402-R466 WeakPolarHBondContact CB-O 2.84Å; H402-R466 PolarHBondContact ND1-O 2.96Å; G459-R466 WeakPolarHBondContact O-CD 3.32Å; G459-R466 WeakPolarHBondContact O-CG 3.49Å; G459-R466 PolarHBondContact O-NH1 3.43Å; F460-R466 CarbonylContact O-C 3.44Å; F460-R466 VanDerWaalsContact O-CA 3.31Å; F460-R466 WeakPolarHBondContact O-CA 3.4Å; Q461-R466 HydrophobicContact CB-CG 4.1Å; Q461-R466 HydrophobicContact CG-CG 4.41Å
467L91.8Very high80.6Confident2 Ų286.7 Ų86.71%0.0144%0.439CS..  trans-57.1138.6171.6-66.2-179000109.5I400 H402 L403 M457 G459 F460 I462 V469I400-L467 HydrophobicContact CG2-CD2 4.21Å; H402-L467 WeakPolarHBondContact O-CD2 3.39Å; L403-L467 HydrophobicContact CD2-CD2 3.93Å; M457-L467 HydrophobicContact CE-CD1 3.76Å; G459-L467 WeakPolarHBondContact CA-O 3.14Å; G459-L467 PolarHBondContact N-O 3.14Å; F460-L467 HydrophobicContact CB-CD1 4.47Å; F460-L467 HydrophobicContact CD1-CD1 4.15Å; F460-L467 PolarHBondContact O-N 3.44Å; I462-L467 HydrophobicContact CG2-CD1 4.41Å; I462-L467 HydrophobicContact CG2-CD2 3.77Å; I462-L467 HydrophobicContact CG2-CG 3.8Å; L467-V469 HydrophobicContact CB-CG2 4.4Å
468K91.3Very high78.2Confident82 Ų8291.3 Ų91.336%0.35746%0.464SS..EExtended strand (participates in β ladder)trans-118107.5172.2172.1-177174-176.40107.8I400 Y401 N458 Q470I400-K468 WeakPolarHBondContact CA-O 3.3Å; Y401-K468 HydrophobicContact CD2-CB 4.45Å; Y401-K468 HydrophobicContact CD2-CD 4.07Å; Y401-K468 HydrophobicContact CD2-CG 4.17Å; Y401-K468 PolarHBondContact N-O 2.91Å; Y401-K468 PolarHBondContact O-N 2.79Å; N458-K468 WeakPolarHBondContact OD1-CA 3.21Å; K468-Q470 HydrophobicContact CG-CG 4.21Å
469V93.2Very high75.7Confident0 Ų098.8 Ų98.80%049%0.487CS..EExtended strand (participates in β ladder)trans-111.1121.7-174.3-176.60000108L398 I400 F416 I454 M457 N458 L467L398-V469 HydrophobicContact CB-CG1 4.45Å; L398-V469 HydrophobicContact CD1-CG1 3.76Å; I400-V469 HydrophobicContact CG1-CG1 4.32Å; I400-V469 HydrophobicContact CG1-CG2 4.13Å; I400-V469 HydrophobicContact CG2-CG2 4.04Å; F416-V469 HydrophobicContact CE1-CG1 4.15Å; F416-V469 HydrophobicContact CE1-CG2 4.42Å; F416-V469 HydrophobicContact CZ-CG1 4.47Å; F416-V469 HydrophobicContact CZ-CG2 3.99Å; I454-V469 HydrophobicContact CG1-CG1 3.97Å; M457-V469 HydrophobicContact CB-CG2 3.84Å; N458-V469 HydrophobicContact CB-CB 4.05Å; N458-V469 PolarHBondContact OD1-N 2.93Å; N458-V469 PolarHBondContact OD1-O 3.27Å; L467-V469 HydrophobicContact CB-CG2 4.4Å
470Q90.9Very high73.9Confident84 Ų84103 Ų10339%0.39351%0.509SS..EExtended strand (participates in β ladder)trans-139.4157.1-177-58.5-166.7-51.800110L398 F399 K468 K472L398-Q470 CarbonylContact C-O 3.57Å; L398-Q470 WeakPolarHBondContact CA-O 3.39Å; F399-Q470 PolarHBondContact N-O 2.72Å; F399-Q470 PolarHBondContact O-N 2.96Å; K468-Q470 HydrophobicContact CG-CG 4.21Å; Q470-K472 PolarHBondContact O-N 3.29Å
471L89.4Confident71.6Confident70 Ų70113.1 Ų113.137%0.36655%0.546SS..EExtended strand (participates in β ladder)trans-57.3132.4166.4-70.7177.7000109.5G395 L398 I454 R473G395-L471 WeakPolarHBondContact O-CD2 3.2Å; L398-L471 HydrophobicContact CD2-CD2 3.96Å; I454-L471 HydrophobicContact CD1-CD2 3.83Å; I454-L471 HydrophobicContact CD1-CG 3.78Å; L471-R473 PolarHBondContact O-N 2.99Å
472K84.4Confident70.8Confident77 Ų77113.4 Ų113.434%0.33555%0.548SS..PPolyproline II helixtrans-60.9117.2167.7-179.8-170.3172.1-173.30107.4E391 N397 Q470E391-K472 IonicContact OE1-NZ 3.34Å; E391-K472 PolarHBondContact OE1-NZ 2.72Å; E391-K472 IonicContact OE2-NZ 2.63Å; E391-K472 PolarHBondContact OE2-NZ 2.64Å; N397-K472 HydrophobicContact CB-CB 3.94Å; N397-K472 HydrophobicContact CB-CD 4.06Å; N397-K472 WeakPolarHBondContact O-CB 3.37Å; N397-K472 PolarHBondContact O-N 2.88Å; Q470-K472 PolarHBondContact O-N 3.29Å
473R77.4Confident70.3Confident179 Ų179117.4 Ų117.468%0.67557%0.567SS**PPolyproline II helixtrans-58.1135.3176.6-65.6-176.1-179.5-173.9-2.1109.7L471 N478L471-R473 PolarHBondContact O-N 2.99Å; R473-N478 PolarHBondContact NH1-OD1 3.47Å
474P62Low69.8Low77 Ų77120.1 Ų120.150%0.556%0.559SS.*PPolyproline II helixtrans-58.6143.6167.126.9-33.2000108.7D476 A477P474-D476 PolarHBondContact O-N 3.17Å; P474-D476 VanDerWaalsContact O-N 3.11Å; P474-A477 HydrophobicContact CG-CB 4.08Å; P474-A477 PolarHBondContact O-N 3.49Å
475K57.8Low69.2Low189 Ų189115.8 Ų115.882%0.82254%0.536SS*.THydrogen-bonded Turntrans-66.3-22-164.9-167173178.8-178.60112.9
476D49Very low68.2Low104 Ų104115.9 Ų115.956%0.55654%0.538SS*.THydrogen-bonded Turntrans-84.3-20.1-172.1-47.2-85.5000112P474 N478P474-D476 PolarHBondContact O-N 3.17Å; P474-D476 VanDerWaalsContact O-N 3.11Å; D476-N478 PolarHBondContact O-N 3.22Å
477A47.6Very low66.8Low71 Ų71114.1 Ų114.159%0.58754%0.538SS*.THydrogen-bonded Turntrans-79.620.2-176.800000115.1P474P474-A477 HydrophobicContact CG-CB 4.08Å; P474-A477 PolarHBondContact O-N 3.49Å
478N40Very low65.1Low110 Ų110122.1 Ų122.159%0.58858%0.576SS**THydrogen-bonded Turntrans-14237.6-174.7-151102.2000114.1R473 D476R473-N478 PolarHBondContact NH1-OD1 3.47Å; D476-N478 PolarHBondContact O-N 3.22Å
479R37.4Very low63Low233 Ų233125.2 Ų125.288%0.87959%0.593SS**  trans-122.2107.7157.3-77-173.5172.6-171.9-4.4109.3
480P49.8Very low60.5Low120 Ų120135.6 Ų135.678%0.77964%0.642SS**  trans-60.1157.4151.830-33.8000109.2
481Y40.8Very low57.8Low313 Ų313140.3 Ų140.3100%1.22767%0.665SS**  trans-56.70-177.4-87.6-103.9000113.1

Retrieved 481 of 481 residues in 104.4 ms (Link to these results)