A0A5K4FA29_SCHMA Loading...

Cell adhesion molecule

AlphaFold DB , UniProt , Accession A0A5K4FA29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,194 aa.

						>A0A5K4FA29_SCHMA|A0A5K4FA29
MNKHETFLFIWILIIYSLNIVYYTFGEDTTDKSSNRKQELMNLNNGLWISESNDDILSNNTKQMSGSKKIYFVKKPTNITVQEHAKHVRFDCQINERVNILSYKWLKNKIDINLQPDIQHRYQILQNGSLYLTQINRNDTGIYTCQVIFSYSNSQYNYMKPLATEENDNNQRQIDFISEYLRNREHRYNEELEKMKQNLEASAWLNVQYIPNIQLNNSINPIYLGRNGPGRIPCIVDATPSIDLIEWRKLINSSIKSHSNIIINSFQQNSKTMGTILPVEQLLRDENTSSSFTIYWYEWDIVKESDGGIYQCRARNTIGWSSWSPKLQVIVNELPRFIRKPKSVEFVNSNVPLILPCEAYGQPKPIIQWFYSKLNQLGSNSSKSVMLTSLNRETQNIATENIVVDQEHDDCDREDITEQVENGIFNTTDHSIHYPFQKHRTINKKLILDVNLPGGVNKMPDGSLLIYTWNASKVTGQYFCIAKNSIGRTITSVEIKQDLVIQLYDRIFNNIMLHVKPLIYSAILSWNKMKLPGMLHSDTTFDTIGKQCYYVTYHSPVRSGDEWITTIVQPEYTSRIRLNGLIPNELYAFRINHWCTPSNHNHSTSSTVLIRTGLPLKQNAGLILTNNNTQYLEFEHDADSSKPPSPQSLKLQITQTEQYNSVLTWKVQRNPQISSLHLNVQQNYNDLSERISYFQVEFIVCTSSNTHLFGISNCTDSKNYIYRWKSLAPVRYPKLTFELNHNNEMFLLENNNRNEDLTVDSDAFRTAFEYKELNSFLTNLYYNSLVYELRFRVKSFGLMSVSEPSNELIIKHPLLPSILNALNQTLYYERYLIYKAIQQVYYESLKNYQQNLTLNNNKMKIFKNTTYLSSYYITNKQIKSYWYIYCISFSTIIIILILLFILFKKLFKKIKKGLKQRKEKKINKSIKVNHQKQIIVTLPNMNILNNQYETNQTYLNNDSFNLYESNFINNEFKQKLISNDHNQLDTPHIIHNCSDKYSNHYLPPNYIKQNLLNTIDLNSNQSIQCLKQTKDTNCDQVYLILSNYENSAYYSLDTSKNYQVIDKQNKNAKNMQNTEDITKQMDDDLTDKHYAVMTPEVLRSEYLDSLHQTMIKYTLNEPKSIVPCNCLQPSSLTLYSPCPNYVSSTISYTPNKCYCTEQVQTIQCTEQQHQCNSNLMRYSPPAGSNPETIFVVKK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	39.1	Very low	59.7	Low	229 Å²	229	141.5 Å²	141.5	100%	1.128	67%	0.668	S	S	*	*				0	151	0	-58.7	179.1	80.8	0	0	108
2	N	43.6	Very low	61.1	Low	117 Å²	117	136.5 Å²	136.5	63%	0.626	65%	0.647	S	S	*	*			trans	-86.7	137.7	-151.2	-87.1	-27.7	0	0	0	114.1	H4 E5	N2-H4 PolarHBondContact O-N 3.05Å; N2-E5 HydrophobicContact CB-CG 4.29Å; N2-E5 PolarHBondContact N-OE2 2.57Å; N2-E5 VanDerWaalsContact N-OE2 3.07Å; N2-E5 PolarHBondContact O-N 3.24Å
3	K	47	Very low	61.9	Low	181 Å²	181	134.5 Å²	134.5	79%	0.787	64%	0.642	S	S	*	*	H	α-helix	trans	-57.5	-23.5	175.9	-74	-177.9	175.7	176.8	0	113.7	T6 F7	K3-T6 WeakPolarHBondContact CA-OG1 3.34Å; K3-T6 PolarHBondContact O-OG1 2.78Å; K3-F7 PolarHBondContact O-N 2.9Å
4	H	52.4	Low	62.6	Low	164 Å²	164	130.8 Å²	130.8	76%	0.759	63%	0.626	S	S	*	*	H	α-helix	trans	-70.8	-39.3	175.3	-96.6	-83.1	0	0	0	113.3	N2 F7 L8	N2-H4 PolarHBondContact O-N 3.05Å; H4-F7 PolarHBondContact O-N 3.19Å; H4-F7 VanDerWaalsContact O-N 3.14Å; H4-L8 PolarHBondContact O-N 3.24Å
5	E	60.4	Low	63.3	Low	113 Å²	113	127 Å²	127	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-65.6	-43.4	-178.6	-62.2	170.9	124.5	0	0	110.4	N2 F7 L8 F9	N2-E5 HydrophobicContact CB-CG 4.29Å; N2-E5 PolarHBondContact N-OE2 2.57Å; N2-E5 VanDerWaalsContact N-OE2 3.07Å; N2-E5 PolarHBondContact O-N 3.24Å; E5-F7 VanDerWaalsContact C-N 3.28Å; E5-F7 PolarHBondContact O-N 2.93Å; E5-L8 PolarHBondContact O-N 2.93Å; E5-F9 PolarHBondContact O-N 3.12Å
6	T	61.5	Low	63.7	Low	86 Å²	86	128.9 Å²	128.9	53%	0.528	61%	0.611	S	S	.	*	H	α-helix	trans	-61	-33.9	172.8	42.8	0	0	0	0	113.2	K3 I10	K3-T6 WeakPolarHBondContact CA-OG1 3.34Å; K3-T6 PolarHBondContact O-OG1 2.78Å; T6-I10 WeakPolarHBondContact O-CD1 3.48Å; T6-I10 VanDerWaalsContact O-CG1 3.25Å; T6-I10 WeakPolarHBondContact O-CG1 3.41Å; T6-I10 PolarHBondContact O-N 3.35Å
7	F	65.8	Low	63.4	Low	144 Å²	144	125.2 Å²	125.2	63%	0.632	60%	0.601	S	S	*	*	H	α-helix	trans	-71.6	-41.5	176.5	-119.1	-84.8	0	0	0	111.8	K3 H4 E5 I10 W11	K3-F7 PolarHBondContact O-N 2.9Å; H4-F7 PolarHBondContact O-N 3.19Å; H4-F7 VanDerWaalsContact O-N 3.14Å; E5-F7 VanDerWaalsContact C-N 3.28Å; E5-F7 PolarHBondContact O-N 2.93Å; F7-I10 PolarHBondContact O-N 3.07Å; F7-W11 PolarHBondContact O-N 3.3Å; F7-W11 VanDerWaalsContact O-N 3.07Å
8	L	71.7	Confident	63	Low	116 Å²	116	124.3 Å²	124.3	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-64.3	-43.6	178	-158.7	78.3	0	0	0	111.4	H4 E5 I10 W11 I12	H4-L8 PolarHBondContact O-N 3.24Å; E5-L8 PolarHBondContact O-N 2.93Å; L8-I10 PolarHBondContact O-N 3.3Å; L8-W11 PolarHBondContact O-N 2.8Å; L8-I12 HydrophobicContact CD2-CD1 4.4Å; L8-I12 HydrophobicContact CG-CD1 4.14Å; L8-I12 WeakPolarHBondContact O-CG1 3.38Å; L8-I12 PolarHBondContact O-N 3.21Å
9	F	71.9	Confident	62.5	Low	146 Å²	146	122.5 Å²	122.5	64%	0.64	59%	0.593	S	S	*	*	H	α-helix	trans	-60.3	-42.8	177.3	-125.2	-87	0	0	0	112.3	E5 I12 L13	E5-F9 PolarHBondContact O-N 3.12Å; F9-I12 PolarHBondContact O-N 2.05Å; F9-L13 HydrophobicContact CD1-CD1 4.3Å; F9-L13 WeakPolarHBondContact O-CG 3.27Å; F9-L13 PolarHBondContact O-N 2.94Å; F9-L13 VanDerWaalsContact O-N 3.08Å
10	I	70.4	Confident	61.9	Low	96 Å²	96	121.9 Å²	121.9	49%	0.492	59%	0.592	S	S	.	*	H	α-helix	trans	-63.9	-41.6	176	-69.5	166.7	0	0	0	110.8	T6 F7 L8 L13 I14	T6-I10 WeakPolarHBondContact O-CD1 3.48Å; T6-I10 VanDerWaalsContact O-CG1 3.25Å; T6-I10 WeakPolarHBondContact O-CG1 3.41Å; T6-I10 PolarHBondContact O-N 3.35Å; F7-I10 PolarHBondContact O-N 3.07Å; L8-I10 PolarHBondContact O-N 3.3Å; I10-L13 PolarHBondContact O-N 3.11Å; I10-I14 HydrophobicContact CG2-CD1 3.93Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.4Å
11	W	73.4	Confident	61.2	Low	165 Å²	165	121 Å²	121	63%	0.625	59%	0.594	S	S	*	*	H	α-helix	trans	-64.8	-42.4	178.2	-122.6	72.9	0	0	0	112.9	F7 L8 I14 I15	F7-W11 PolarHBondContact O-N 3.3Å; F7-W11 VanDerWaalsContact O-N 3.07Å; L8-W11 PolarHBondContact O-N 2.8Å; W11-I14 PolarHBondContact O-N 3.11Å; W11-I15 HydrophobicContact CE3-CD1 3.7Å; W11-I15 HydrophobicContact CE3-CG1 4.42Å; W11-I15 HydrophobicContact CZ3-CD1 3.88Å; W11-I15 PolarHBondContact O-N 3Å; W11-I15 VanDerWaalsContact O-N 3.07Å
12	I	76	Confident	61.3	Low	81 Å²	81	119.8 Å²	119.8	42%	0.415	58%	0.578	S	S	.	*	H	α-helix	trans	-63.5	-42.9	177.1	-68	164.9	0	0	0	110.9	L8 F9 I14 I15 Y16	L8-I12 HydrophobicContact CD2-CD1 4.4Å; L8-I12 HydrophobicContact CG-CD1 4.14Å; L8-I12 WeakPolarHBondContact O-CG1 3.38Å; L8-I12 PolarHBondContact O-N 3.21Å; F9-I12 PolarHBondContact O-N 2.05Å; I12-I14 VanDerWaalsContact C-N 3.33Å; I12-I14 PolarHBondContact O-N 3.06Å; I12-I15 PolarHBondContact O-N 2.94Å; I12-Y16 HydrophobicContact CG2-CD2 3.95Å; I12-Y16 HydrophobicContact CG2-CE2 4.18Å; I12-Y16 PolarHBondContact O-N 3.31Å
13	L	71.4	Confident	61.2	Low	110 Å²	110	124.2 Å²	124.2	58%	0.576	59%	0.588	S	S	*	*	H	α-helix	trans	-62.8	-37.9	176.2	-73.2	168.2	0	0	0	112.5	F9 I10 S17	F9-L13 HydrophobicContact CD1-CD1 4.3Å; F9-L13 WeakPolarHBondContact O-CG 3.27Å; F9-L13 PolarHBondContact O-N 2.94Å; F9-L13 VanDerWaalsContact O-N 3.08Å; I10-L13 PolarHBondContact O-N 3.11Å; L13-S17 WeakPolarHBondContact O-CB 3.4Å; L13-S17 PolarHBondContact O-N 3.1Å; L13-S17 PolarHBondContact O-OG 3.18Å
14	I	72.3	Confident	61	Low	83 Å²	83	119.9 Å²	119.9	43%	0.426	58%	0.576	S	S	.	*	H	α-helix	trans	-62.6	-48.2	174.4	-69.9	164	0	0	0	110.5	I10 W11 I12 Y16 S17 L18	I10-I14 HydrophobicContact CG2-CD1 3.93Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.4Å; W11-I14 PolarHBondContact O-N 3.11Å; I12-I14 VanDerWaalsContact C-N 3.33Å; I12-I14 PolarHBondContact O-N 3.06Å; I14-Y16 PolarHBondContact O-N 3.2Å; I14-S17 PolarHBondContact O-N 2.93Å; I14-S17 PolarHBondContact O-OG 3.1Å; I14-L18 HydrophobicContact CG2-CD1 3.91Å; I14-L18 WeakPolarHBondContact O-CG 3.32Å; I14-L18 PolarHBondContact O-N 3.18Å
15	I	73.3	Confident	60.3	Low	74 Å²	74	121.3 Å²	121.3	38%	0.379	58%	0.581	S	S	.	*	H	α-helix	trans	-60.1	-45.6	178.1	-68.4	170.4	0	0	0	111.6	W11 I12 S17 L18 N19	W11-I15 HydrophobicContact CE3-CD1 3.7Å; W11-I15 HydrophobicContact CE3-CG1 4.42Å; W11-I15 HydrophobicContact CZ3-CD1 3.88Å; W11-I15 PolarHBondContact O-N 3Å; W11-I15 VanDerWaalsContact O-N 3.07Å; I12-I15 PolarHBondContact O-N 2.94Å; I15-S17 VanDerWaalsContact C-N 3.33Å; I15-S17 PolarHBondContact O-N 2.88Å; I15-L18 PolarHBondContact O-N 2.92Å; I15-N19 PolarHBondContact O-N 3.28Å
16	Y	68.4	Low	58.8	Low	158 Å²	158	119.2 Å²	119.2	62%	0.62	59%	0.589	S	S	*	*	H	α-helix	trans	-60.5	-41.7	176.3	-96.6	-85.9	0	0	0	112.1	I12 I14 L18 N19 I20	I12-Y16 HydrophobicContact CG2-CD2 3.95Å; I12-Y16 HydrophobicContact CG2-CE2 4.18Å; I12-Y16 PolarHBondContact O-N 3.31Å; I14-Y16 PolarHBondContact O-N 3.2Å; Y16-L18 VanDerWaalsContact C-N 3.33Å; Y16-L18 PolarHBondContact O-N 2.86Å; Y16-N19 PolarHBondContact O-N 3.19Å; Y16-I20 WeakPolarHBondContact O-CD1 3.1Å; Y16-I20 VanDerWaalsContact O-CG1 3.3Å; Y16-I20 WeakPolarHBondContact O-CG1 3.29Å; Y16-I20 PolarHBondContact O-N 3.19Å; Y16-I20 VanDerWaalsContact O-N 3.14Å
17	S	59.5	Low	57.5	Low	65 Å²	65	124.3 Å²	124.3	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-64.3	-35.5	177.5	74.2	0	0	0	0	113.2	L13 I14 I15 V21	L13-S17 WeakPolarHBondContact O-CB 3.4Å; L13-S17 PolarHBondContact O-N 3.1Å; L13-S17 PolarHBondContact O-OG 3.18Å; I14-S17 PolarHBondContact O-N 2.93Å; I14-S17 PolarHBondContact O-OG 3.1Å; I15-S17 VanDerWaalsContact C-N 3.33Å; I15-S17 PolarHBondContact O-N 2.88Å; S17-V21 WeakPolarHBondContact O-CG2 3.1Å; S17-V21 PolarHBondContact O-N 2.75Å
18	L	56.8	Low	55.8	Low	109 Å²	109	124 Å²	124	57%	0.571	61%	0.612	S	S	*	*	H	α-helix	trans	-73.3	-42.3	178	-71	167.3	0	0	0	112	I14 I15 Y16 I20 V21 Y22	I14-L18 HydrophobicContact CG2-CD1 3.91Å; I14-L18 WeakPolarHBondContact O-CG 3.32Å; I14-L18 PolarHBondContact O-N 3.18Å; I15-L18 PolarHBondContact O-N 2.92Å; Y16-L18 VanDerWaalsContact C-N 3.33Å; Y16-L18 PolarHBondContact O-N 2.86Å; L18-I20 PolarHBondContact O-N 2.79Å; L18-V21 PolarHBondContact O-N 2.79Å; L18-Y22 PolarHBondContact O-N 2.79Å
19	N	53.4	Low	53.8	Low	90 Å²	90	125.4 Å²	125.4	48%	0.481	63%	0.625	S	S	.	*	H	α-helix	trans	-66.5	-35.4	178.8	-77.7	-20.8	0	0	0	112.9	I15 Y16 V21 Y22 Y23	I15-N19 PolarHBondContact O-N 3.28Å; Y16-N19 PolarHBondContact O-N 3.19Å; N19-V21 VanDerWaalsContact C-N 3.3Å; N19-V21 PolarHBondContact O-N 2.82Å; N19-Y22 PolarHBondContact O-N 3.42Å; N19-Y23 PolarHBondContact O-N 3.02Å; N19-Y23 VanDerWaalsContact O-N 3.09Å
20	I	50	Low	51.8	Low	110 Å²	110	124.8 Å²	124.8	56%	0.564	63%	0.634	S	S	*	*	H	α-helix	trans	-65.5	-34.8	175.6	-69.2	166.4	0	0	0	111.4	Y16 L18 T24	Y16-I20 WeakPolarHBondContact O-CD1 3.1Å; Y16-I20 VanDerWaalsContact O-CG1 3.3Å; Y16-I20 WeakPolarHBondContact O-CG1 3.29Å; Y16-I20 PolarHBondContact O-N 3.19Å; Y16-I20 VanDerWaalsContact O-N 3.14Å; L18-I20 PolarHBondContact O-N 2.79Å; I20-T24 WeakPolarHBondContact O-CG2 3.3Å; I20-T24 PolarHBondContact O-OG1 2.81Å
21	V	47	Very low	49.7	Very low	105 Å²	105	126.5 Å²	126.5	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-71.7	-35.8	173.4	173.3	0	0	0	0	111.4	S17 L18 N19 Y23 T24	S17-V21 WeakPolarHBondContact O-CG2 3.1Å; S17-V21 PolarHBondContact O-N 2.75Å; L18-V21 PolarHBondContact O-N 2.79Å; N19-V21 VanDerWaalsContact C-N 3.3Å; N19-V21 PolarHBondContact O-N 2.82Å; V21-Y23 VanDerWaalsContact C-N 3.35Å; V21-Y23 PolarHBondContact O-N 3.09Å; V21-T24 PolarHBondContact O-OG1 2.88Å
22	Y	41.8	Very low	47.7	Very low	202 Å²	202	126.3 Å²	126.3	79%	0.792	65%	0.648	S	S	*	*	H	α-helix	trans	-70.7	-27.6	179.6	-145.4	-87	0	0	0	113.6	L18 N19	L18-Y22 PolarHBondContact O-N 2.79Å; N19-Y22 PolarHBondContact O-N 3.42Å
23	Y	41.1	Very low	45.3	Very low	211 Å²	211	127.5 Å²	127.5	83%	0.827	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-2.7	-179.1	-99	-81.9	0	0	0	115.5	N19 V21	N19-Y23 PolarHBondContact O-N 3.02Å; N19-Y23 VanDerWaalsContact O-N 3.09Å; V21-Y23 VanDerWaalsContact C-N 3.35Å; V21-Y23 PolarHBondContact O-N 3.09Å
24	T	42.2	Very low	43.3	Very low	90 Å²	90	126.8 Å²	126.8	55%	0.552	67%	0.667	S	S	*	*	S	Bend	trans	-113.2	-4.5	-169.8	43.5	0	0	0	0	115.6	I20 V21	I20-T24 WeakPolarHBondContact O-CG2 3.3Å; I20-T24 PolarHBondContact O-OG1 2.81Å; V21-T24 PolarHBondContact O-OG1 2.88Å
25	F	38	Very low	41.3	Very low	194 Å²	194	130.3 Å²	130.3	85%	0.851	69%	0.687	S	S	*	*			trans	-139.7	86.8	175.3	-81.8	-85.8	0	0	0	111.1
26	G	30	Very low	39.2	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	71%	0.711	S	S	*	*			trans	-110.2	159.6	166.9	0	0	0	0	0	111.7
27	E	32.4	Very low	37.3	Very low	193 Å²	193	139 Å²	139	90%	0.902	72%	0.719	S	S	*	*			trans	74.7	157.9	169.8	-55.4	-173.4	137.3	0	0	118.1
28	D	30.9	Very low	35.9	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	74%	0.739	S	S	*	*			trans	56.4	77.6	178.5	-67.3	-4.8	0	0	0	120.5
29	T	30.5	Very low	34.6	Very low	144 Å²	144	149.2 Å²	149.2	88%	0.883	76%	0.756	S	S	*	*			trans	-133.7	104.7	147.5	62.7	0	0	0	0	112.9
30	T	28.6	Very low	33.4	Very low	133 Å²	133	151.1 Å²	151.1	82%	0.816	77%	0.766	S	S	*	*			trans	-118.7	168.1	164	45.5	0	0	0	0	110.7
31	D	27.5	Very low	32.3	Very low	132 Å²	132	152.9 Å²	152.9	71%	0.706	77%	0.774	S	S	*	*			trans	48.5	68.2	175.3	-71.6	-26.9	0	0	0	119.5
32	K	30.9	Very low	31.5	Very low	162 Å²	162	156 Å²	156	70%	0.704	79%	0.787	S	S	*	*			trans	-128.1	68.8	141.5	-76.5	-173.7	178.6	163.7	0	111.3	N857	K32-N857 WeakPolarHBondContact CE-ND2 3.21Å; K32-N857 WeakPolarHBondContact CE-OD1 3.26Å; K32-N857 PolarHBondContact NZ-OD1 2.85Å
33	S	26	Very low	31	Very low	106 Å²	106	153.4 Å²	153.4	74%	0.741	79%	0.786	S	S	*	*			trans	-95	14	-173.3	50.4	0	0	0	0	114.9
34	S	28.2	Very low	30.4	Very low	94 Å²	94	150.6 Å²	150.6	66%	0.657	79%	0.785	S	S	*	*	S	Bend	trans	-124.2	162.3	176.7	-167.5	0	0	0	0	112.6	R36	S34-R36 PolarHBondContact O-N 2.78Å
35	N	30.7	Very low	29.7	Very low	157 Å²	157	154.8 Å²	154.8	84%	0.84	80%	0.804	S	S	*	*	S	Bend	trans	61.4	24.7	179.4	-63.6	-13.4	0	0	0	117.6
36	R	30.1	Very low	29.2	Very low	234 Å²	234	148.5 Å²	148.5	88%	0.883	79%	0.794	S	S	*	*			trans	-119.8	24.2	168.3	-132.5	-179.4	-164.7	-173.7	5.2	114.5	S34	S34-R36 PolarHBondContact O-N 2.78Å
37	K	27.1	Very low	29.2	Very low	182 Å²	182	153.3 Å²	153.3	79%	0.791	80%	0.802	S	S	*	*	S	Bend	trans	-121.4	11.3	-168.4	-103.7	178.7	178.9	173.6	0	116.5
38	Q	30.2	Very low	29	Very low	187 Å²	187	155.5 Å²	155.5	87%	0.874	80%	0.803	S	S	*	*	S	Bend	trans	-113.9	-8.1	-173.6	-124.3	160.5	-18.4	0	0	116.4
39	E	29.9	Very low	29	Very low	200 Å²	200	156.3 Å²	156.3	94%	0.935	81%	0.805	S	S	*	*	S	Bend	trans	-106.8	4.9	171.8	-66.6	-169.8	124	0	0	113.9
40	L	28.2	Very low	28.9	Very low	130 Å²	130	154 Å²	154	68%	0.681	80%	0.795	S	S	*	*	S	Bend	trans	-117.4	6.6	-179.3	-90.9	164.5	0	0	0	114.4	N42	L40-N42 PolarHBondContact O-N 2.8Å
41	M	28.1	Very low	28.8	Very low	148 Å²	148	157.4 Å²	157.4	73%	0.729	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	16.4	-172.4	-148.3	164.7	-171.6	0	0	115.1
42	N	29.8	Very low	29	Very low	170 Å²	170	155.8 Å²	155.8	91%	0.909	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	11.1	173.5	-91.2	-35	0	0	0	113.3	L40	L40-N42 PolarHBondContact O-N 2.8Å
43	L	31.4	Very low	28.9	Very low	147 Å²	147	155.3 Å²	155.3	77%	0.77	81%	0.806	S	S	*	*			trans	-134.4	52	-173.6	-102	154.2	0	0	0	111.7
44	N	27	Very low	29.2	Very low	153 Å²	153	157.9 Å²	157.9	82%	0.818	81%	0.811	S	S	*	*			trans	-135.7	82.2	168.9	-98.3	-28.3	0	0	0	110.7
45	N	28	Very low	29.3	Very low	178 Å²	178	160.6 Å²	160.6	95%	0.952	82%	0.818	S	S	*	*			trans	-142.1	52.1	159	-111.1	-19.1	0	0	0	107.9
46	G	28.9	Very low	29.5	Very low	61 Å²	61	160.7 Å²	160.7	63%	0.629	82%	0.817	S	S	*	*			trans	-95.1	99.7	177.2	0	0	0	0	0	110.3
47	L	28.9	Very low	29.6	Very low	169 Å²	169	156 Å²	156	89%	0.885	81%	0.809	S	S	*	*			trans	-80.4	119.5	165.7	-171	74	0	0	0	108.2
48	W	27.7	Very low	29.7	Very low	240 Å²	240	152 Å²	152	91%	0.909	80%	0.804	S	S	*	*			trans	-85.6	129.8	175.5	-65.6	74.2	0	0	0	110.3
49	I	31.5	Very low	29.8	Very low	156 Å²	156	150.3 Å²	150.3	80%	0.8	80%	0.801	S	S	*	*			trans	-136.4	136	147.1	-58	-176	0	0	0	106.8
50	S	28.2	Very low	30	Very low	96 Å²	96	148 Å²	148	67%	0.671	80%	0.795	S	S	*	*			trans	-80.3	160.4	-175.8	47.2	0	0	0	0	113.5	S52	S50-S52 PolarHBondContact O-N 3.2Å
51	E	26.1	Very low	30.1	Very low	204 Å²	204	146.1 Å²	146.1	95%	0.953	79%	0.789	S	S	*	*			trans	-66.7	110.9	165.1	-65.1	177	135.7	0	0	110.2
52	S	32.9	Very low	30.2	Very low	97 Å²	97	149.1 Å²	149.1	68%	0.678	80%	0.798	S	S	*	*			trans	-151	129.3	161.6	58.3	0	0	0	0	109	S50	S50-S52 PolarHBondContact O-N 3.2Å
53	N	28.7	Very low	30.1	Very low	152 Å²	152	149.6 Å²	149.6	81%	0.813	80%	0.795	S	S	*	*			trans	-42.9	139.9	-175.4	-46.4	-24.5	0	0	0	114.2
54	D	32.4	Very low	30	Very low	161 Å²	161	150.4 Å²	150.4	86%	0.861	80%	0.796	S	S	*	*				-168.1	130.9	107.6	-92.5	-18	0	0	0	112	I56	D54-I56 PolarHBondContact O-N 2.82Å
55	D	29.4	Very low	30	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	80%	0.8	S	S	*	*			trans	-76.1	103.4	171.4	-83.6	-61.5	0	0	0	110.2
56	I	35.3	Very low	30.3	Very low	158 Å²	158	143.6 Å²	143.6	81%	0.81	78%	0.784	S	S	*	*			trans	-169.4	70.9	154.2	-92.3	140.8	0	0	0	109.8	D54	D54-I56 PolarHBondContact O-N 2.82Å
57	L	32	Very low	30.9	Very low	136 Å²	136	145.2 Å²	145.2	71%	0.712	79%	0.786	S	S	*	*			trans	-164.5	10.1	157.4	-137.1	72.3	0	0	0	116.8	N59 T61	L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.41Å; L57-N59 VanDerWaalsContact O-N 3.11Å; L57-T61 HydrophobicContact CD2-CG2 4.4Å
58	S	29	Very low	32	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-10.5	-162	49.3	0	0	0	0	117.2
59	N	32.4	Very low	33.9	Very low	151 Å²	151	140.7 Å²	140.7	81%	0.807	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-10.7	-171.9	-87.1	-28.7	0	0	0	117.1	L57	L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 3.41Å; L57-N59 VanDerWaalsContact O-N 3.11Å
60	N	34	Very low	36	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	73%	0.734	S	S	*	*	S	Bend	trans	-107.9	-4.3	-178.1	-79	-15.7	0	0	0	115	K62	N60-K62 PolarHBondContact O-N 3.14Å
61	T	30.5	Very low	38.6	Very low	90 Å²	90	135.7 Å²	135.7	55%	0.552	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-85.8	1.2	-172.3	48.6	0	0	0	0	115.3	L57 Q63	L57-T61 HydrophobicContact CD2-CG2 4.4Å; T61-Q63 PolarHBondContact O-N 3.18Å; T61-Q63 VanDerWaalsContact O-N 3.13Å
62	K	30	Very low	41.6	Very low	210 Å²	210	127.8 Å²	127.8	91%	0.913	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-70.6	1.1	174.2	-84.8	-178.6	177.1	171.4	0	114.9	N60	N60-K62 PolarHBondContact O-N 3.14Å
63	Q	28.6	Very low	44.2	Very low	181 Å²	181	127 Å²	127	85%	0.846	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-126.7	32.8	179	-149.9	170.4	4.7	0	0	115.2	T61	T61-Q63 PolarHBondContact O-N 3.18Å; T61-Q63 VanDerWaalsContact O-N 3.13Å
64	M	29.4	Very low	47.2	Very low	163 Å²	163	123.8 Å²	123.8	80%	0.803	66%	0.657	S	S	*	*			trans	-108.9	35.4	160.8	-80.3	-152.5	175.5	0	0	113.7	G66	M64-G66 VanDerWaalsContact C-N 3.29Å; M64-G66 PolarHBondContact O-N 3.21Å
65	S	26.9	Very low	50	Low	128 Å²	128	122.6 Å²	122.6	90%	0.895	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	79.5	167.2	-169.2	0	0	0	0	110.5
66	G	32.9	Very low	53.2	Low	60 Å²	60	115.7 Å²	115.7	62%	0.619	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	169.7	1.4	-179.1	0	0	0	0	0	119.6	M64 K68	M64-G66 VanDerWaalsContact C-N 3.29Å; M64-G66 PolarHBondContact O-N 3.21Å; G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.49Å
67	S	41.5	Very low	56.1	Low	96 Å²	96	112.3 Å²	112.3	67%	0.671	59%	0.594	S	S	*	*			trans	-67.7	85.7	175.7	44.8	0	0	0	0	111.4	K69	S67-K69 PolarHBondContact O-N 3.25Å
68	K	53.5	Low	59.1	Low	136 Å²	136	111.4 Å²	111.4	59%	0.591	59%	0.59	S	S	*	*			trans	-60.5	102.5	178.4	-73.2	-166	179.5	-174.4	0	110.1	G66	G66-K68 VanDerWaalsContact C-N 3.32Å; G66-K68 PolarHBondContact O-N 3.49Å
69	K	66	Low	62.3	Low	178 Å²	178	108.3 Å²	108.3	77%	0.774	57%	0.566	S	S	*	*			trans	-45.4	143.6	171.5	-174	170.9	-177.1	171.4	0	110.9	S67 Y71	S67-K69 PolarHBondContact O-N 3.25Å; K69-Y71 WeakPolarHBondContact O-CD1 3.33Å
70	I	75.5	Confident	65.2	Low	26 Å²	26	104.9 Å²	104.9	13%	0.133	55%	0.55	C	S	.	.			trans	-80.1	138	175.9	-61.4	170.8	0	0	0	109.3	V98 F149 Y151 L199	I70-V98 HydrophobicContact CD1-CG1 3.42Å; I70-V98 VanDerWaalsContact CD1-CG1 3.42Å; I70-V98 HydrophobicContact CG1-CG1 4.23Å; I70-F149 HydrophobicContact CD1-CD2 4.12Å; I70-F149 HydrophobicContact CD1-CE2 3.3Å; I70-F149 HydrophobicContact CD1-CZ 3.82Å; I70-F149 HydrophobicContact CG2-CE1 4.44Å; I70-F149 HydrophobicContact CG2-CE2 4.41Å; I70-F149 HydrophobicContact CG2-CZ 4.03Å; I70-Y151 HydrophobicContact CD1-CD1 4.08Å; I70-Y151 HydrophobicContact CD1-CE1 3.42Å; I70-Y151 VanDerWaalsContact CD1-CE1 3.42Å; I70-Y151 HydrophobicContact CG1-CE1 4.41Å; I70-L199 HydrophobicContact CG2-CD1 4.36Å; I70-L199 HydrophobicContact CG2-CD2 4.13Å
71	Y	84.5	Confident	68.1	Low	120 Å²	120	99.1 Å²	99.1	47%	0.471	52%	0.52	S	S	.	.			trans	-152.9	162.5	179.4	57.4	-90.4	0	0	0	110.3	K69 V73 I94 N95	K69-Y71 WeakPolarHBondContact O-CD1 3.33Å; Y71-V73 HydrophobicContact CE2-CG2 4.16Å; Y71-V73 PolarHBondContact O-N 3.46Å; Y71-I94 WeakPolarHBondContact O-CA 3.49Å; Y71-N95 PolarHBondContact O-N 2.88Å
72	F	87.6	Confident	71	Confident	39 Å²	39	100 Å²	100	17%	0.171	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	111.2	167.6	-70.2	-79	0	0	0	110.5	K75 Q93 I94 V147 L199 A201	F72-K75 HydrophobicContact CB-CB 3.84Å; F72-K75 HydrophobicContact CG-CB 4.12Å; F72-Q93 CarbonylContact C-O 2.65Å; F72-Q93 VanDerWaalsContact CA-O 3.26Å; F72-Q93 WeakPolarHBondContact CA-O 3.42Å; F72-I94 HydrophobicContact CD1-CG2 3.72Å; F72-I94 HydrophobicContact CE1-CG2 3.91Å; F72-I94 HydrophobicContact CG-CG2 4.3Å; F72-V147 HydrophobicContact CE1-CG2 3.77Å; F72-V147 HydrophobicContact CZ-CG2 4.35Å; F72-L199 HydrophobicContact CD2-CD2 3.93Å; F72-L199 HydrophobicContact CE2-CB 4.01Å; F72-L199 HydrophobicContact CE2-CD2 3.81Å; F72-L199 HydrophobicContact CE2-CG 4.07Å; F72-L199 HydrophobicContact CZ-CB 3.86Å; F72-L199 HydrophobicContact CZ-CD2 4.31Å; F72-L199 HydrophobicContact CZ-CG 4.43Å; F72-A201 HydrophobicContact CD2-CB 4.02Å; F72-A201 HydrophobicContact CE1-CB 4.22Å; F72-A201 HydrophobicContact CE2-CB 3.51Å; F72-A201 HydrophobicContact CZ-CB 3.61Å
73	V	88.4	Confident	73.9	Confident	80 Å²	80	91.8 Å²	91.8	49%	0.485	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-38.4	165.8	171.9	0	0	0	0	109.6	Y71 Q93 N95	Y71-V73 HydrophobicContact CE2-CG2 4.16Å; Y71-V73 PolarHBondContact O-N 3.46Å; V73-Q93 PolarHBondContact N-O 3.03Å; V73-N95 HydrophobicContact CG2-CB 3.99Å
74	K	91.3	Very high	76.8	Confident	85 Å²	85	90.6 Å²	90.6	37%	0.37	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.6	164.2	-56.3	-166.4	-176.1	179.7	0	109.8	D91 C92 Q93	K74-D91 HydrophobicContact CB-CB 3.92Å; K74-D91 HydrophobicContact CD-CB 3.91Å; K74-D91 WeakPolarHBondContact CD-OD2 3.3Å; K74-D91 IonicContact NZ-OD2 2.73Å; K74-D91 PolarHBondContact NZ-OD2 3.09Å; K74-C92 WeakPolarHBondContact O-CA 3.44Å; K74-Q93 HydrophobicContact CB-CB 4.12Å; K74-Q93 HydrophobicContact CB-CG 4.42Å; K74-Q93 VanDerWaalsContact CD-OE1 3.22Å; K74-Q93 HydrophobicContact CG-CB 4.45Å; K74-Q93 PolarHBondContact N-O 2.84Å; K74-Q93 PolarHBondContact O-N 2.98Å
75	K	92	Very high	79.8	Confident	136 Å²	136	84 Å²	84	59%	0.591	45%	0.448	S	S	*	.			trans	-95.2	154	168.9	61.2	174.6	-177.4	173.8	0	109.4	F72 D91 A201	F72-K75 HydrophobicContact CB-CB 3.84Å; F72-K75 HydrophobicContact CG-CB 4.12Å; K75-D91 CarbonylContact C-O 3.11Å; K75-A201 HydrophobicContact CB-CB 4.38Å
76	P	95.6	Very high	82.9	Confident	6 Å²	6	86.7 Å²	86.7	4%	0.039	44%	0.444	C	S	.	.			trans	-61.6	150.4	168.3	27	-35.1	0	0	0	110.3	F90 D91 W105 A201 A203	P76-F90 HydrophobicContact CB-CB 4.19Å; P76-F90 HydrophobicContact CB-CD1 4.13Å; P76-D91 VanDerWaalsContact CA-O 3.32Å; P76-D91 WeakPolarHBondContact CA-O 3.29Å; P76-D91 WeakPolarHBondContact CD-O 3.17Å; P76-W105 HydrophobicContact CB-CH2 4.05Å; P76-W105 HydrophobicContact CG-CH2 4.28Å; P76-A201 HydrophobicContact CG-CB 3.97Å; P76-A201 WeakPolarHBondContact CG-O 3.34Å; P76-A203 HydrophobicContact CB-CB 3.78Å; P76-A203 HydrophobicContact CG-CB 4.43Å
77	T	95.6	Very high	85.8	Confident	86 Å²	86	88.3 Å²	88.3	53%	0.528	44%	0.435	S	S	.	.			trans	-128.5	152.5	179.7	51.8	0	0	0	0	109.2	I79 F90 A203	T77-I79 PolarHBondContact O-N 3.5Å; T77-F90 WeakPolarHBondContact O-CE1 3.16Å; T77-A203 VanDerWaalsContact C-CB 3.44Å; T77-A203 VanDerWaalsContact O-CB 3.26Å; T77-A203 WeakPolarHBondContact O-CB 2.96Å
78	N	96	Very high	88.3	Confident	118 Å²	118	84 Å²	84	63%	0.631	41%	0.405	S	S	*	.			trans	-63.3	128.9	-179.2	-66.4	-6.6	0	0	0	110.1	A203 W204	N78-A203 WeakPolarHBondContact OD1-CA 3.23Å; N78-W204 CarbonylContact C-O 3.55Å; N78-W204 WeakPolarHBondContact CA-O 3.31Å; N78-W204 PolarHBondContact OD1-N 3Å
79	I	95.3	Very high	90.3	Very high	34 Å²	34	82.3 Å²	82.3	17%	0.174	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.8	-177.7	-70.9	174.2	0	0	0	108.8	T77 V81 V88 R89 F90 W204 L205 N206	T77-I79 PolarHBondContact O-N 3.5Å; I79-V81 HydrophobicContact CG2-CG1 3.79Å; I79-V88 HydrophobicContact CD1-CG1 3.83Å; I79-V88 HydrophobicContact CG2-CG1 4.13Å; I79-V88 HydrophobicContact CG2-CG2 4.18Å; I79-R89 WeakPolarHBondContact CD1-O 3.27Å; I79-F90 HydrophobicContact CB-CE1 4.09Å; I79-F90 HydrophobicContact CB-CZ 4.26Å; I79-F90 HydrophobicContact CD1-CD1 3.79Å; I79-F90 HydrophobicContact CD1-CE1 3.68Å; I79-F90 HydrophobicContact CD1-CG 4.37Å; I79-F90 HydrophobicContact CD1-CZ 4.17Å; I79-F90 HydrophobicContact CG1-CD1 4.41Å; I79-F90 HydrophobicContact CG1-CE1 3.93Å; I79-W204 PolarHBondContact N-O 3.4Å; I79-L205 HydrophobicContact CB-CD1 4.2Å; I79-L205 HydrophobicContact CG2-CD1 3.92Å; I79-N206 PolarHBondContact O-N 3.07Å
80	T	94.8	Very high	91.7	Very high	78 Å²	78	74 Å²	74	48%	0.479	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.5	170	-60.6	0	0	0	0	108.3	N206 Q208	T80-N206 WeakPolarHBondContact CA-O 3.48Å; T80-N206 HydrophobicContact CG2-CB 4.25Å; T80-Q208 HydrophobicContact CG2-CG 3.67Å
81	V	94.3	Very high	92.7	Very high	31 Å²	31	74.5 Å²	74.5	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.3	-179.3	-72.2	0	0	0	0	109.9	I79 A85 V88 I135 L205 N206 V207 Q208	I79-V81 HydrophobicContact CG2-CG1 3.79Å; V81-A85 HydrophobicContact CB-CB 3.98Å; V81-A85 HydrophobicContact CG1-CB 4.44Å; V81-A85 HydrophobicContact CG2-CB 4.32Å; V81-V88 HydrophobicContact CG1-CG2 3.94Å; V81-V88 HydrophobicContact CG2-CG2 3.88Å; V81-I135 HydrophobicContact CG2-CG2 4.09Å; V81-L205 HydrophobicContact CG2-CD1 4Å; V81-N206 PolarHBondContact N-O 2.84Å; V81-V207 HydrophobicContact CG2-CG2 4.48Å; V81-V207 CarbonylContact O-C 3.18Å; V81-V207 WeakPolarHBondContact O-CA 3.24Å; V81-Q208 PolarHBondContact O-N 2.91Å
82	Q	92.3	Very high	93.1	Very high	109 Å²	109	68.8 Å²	68.8	51%	0.509	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	153.6	170.3	-68.6	175.6	-23.6	0	0	111.1	A85 Q208 I318	Q82-A85 WeakPolarHBondContact O-CB 3.44Å; Q82-A85 PolarHBondContact O-N 3.35Å; Q82-A85 VanDerWaalsContact O-N 3.14Å; Q82-Q208 CarbonylContact C-O 3.57Å; Q82-Q208 VanDerWaalsContact CA-O 3.28Å; Q82-Q208 WeakPolarHBondContact CA-O 3.4Å; Q82-I318 HydrophobicContact CG-CD1 4.46Å
83	E	89.7	Confident	93.2	Very high	38 Å²	38	69 Å²	69	18%	0.178	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	144.1	171.4	-165.6	175.3	-130.2	0	0	110.5	A85 R137 V207 Q208	E83-A85 VanDerWaalsContact C-N 3.26Å; E83-A85 PolarHBondContact O-N 2.93Å; E83-R137 WeakPolarHBondContact OE1-CB 3.39Å; E83-R137 IonicContact OE1-CZ 3.5Å; E83-R137 PolarHBondContact OE1-N 2.79Å; E83-R137 IonicContact OE1-NE 2.68Å; E83-R137 PolarHBondContact OE1-NE 3.5Å; E83-R137 IonicContact OE1-NH2 3.42Å; E83-R137 PolarHBondContact OE1-NH2 2.89Å; E83-R137 IonicContact OE2-CZ 2.76Å; E83-R137 IonicContact OE2-NE 3.97Å; E83-R137 IonicContact OE2-NH2 3.5Å; E83-R137 PolarHBondContact OE2-NH2 3.41Å; E83-V207 HydrophobicContact CB-CG1 4.09Å; E83-Q208 PolarHBondContact N-O 3.2Å
84	H	90.2	Very high	93.1	Very high	155 Å²	155	65.5 Å²	65.5	72%	0.718	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	14.5	-169.7	-40.2	87.6	0	0	0	115	K86 I135	H84-K86 PolarHBondContact O-N 3.05Å; H84-I135 WeakPolarHBondContact CA-O 3.28Å; H84-I135 PolarHBondContact N-O 3.02Å
85	A	91.4	Very high	92.6	Very high	24 Å²	24	62.7 Å²	62.7	20%	0.198	31%	0.308	C	S	.	.			trans	-55.5	134.1	166.1	0	0	0	0	0	110.8	V81 Q82 E83 H87 I135	V81-A85 HydrophobicContact CB-CB 3.98Å; V81-A85 HydrophobicContact CG1-CB 4.44Å; V81-A85 HydrophobicContact CG2-CB 4.32Å; Q82-A85 WeakPolarHBondContact O-CB 3.44Å; Q82-A85 PolarHBondContact O-N 3.35Å; Q82-A85 VanDerWaalsContact O-N 3.14Å; E83-A85 VanDerWaalsContact C-N 3.26Å; E83-A85 PolarHBondContact O-N 2.93Å; A85-H87 VanDerWaalsContact C-N 3.35Å; A85-H87 PolarHBondContact O-N 2.69Å; A85-I135 HydrophobicContact CB-CB 4.22Å; A85-I135 HydrophobicContact CB-CG1 4.17Å; A85-I135 WeakPolarHBondContact O-CG1 3.38Å; A85-I135 PolarHBondContact O-N 2.75Å; A85-I135 VanDerWaalsContact O-N 3.12Å
86	K	92	Very high	91.5	Very high	186 Å²	186	65 Å²	65	81%	0.809	32%	0.321	S	S	*	.	S	Bend	trans	-56.6	-46.7	-172.5	-64.7	-174.1	178.5	-175.7	0	112.5	H84 Q134	H84-K86 PolarHBondContact O-N 3.05Å; K86-Q134 PolarHBondContact O-N 2.75Å; K86-Q134 VanDerWaalsContact O-N 3.12Å
87	H	93.4	Very high	90.4	Very high	94 Å²	94	71.6 Å²	71.6	44%	0.435	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161.7	177.3	61.8	75.5	0	0	0	112	A85 Y131 L132 T133	A85-H87 VanDerWaalsContact C-N 3.35Å; A85-H87 PolarHBondContact O-N 2.69Å; H87-Y131 HydrophobicContact CB-CE1 4.14Å; H87-Y131 HydrophobicContact CB-CE2 3.92Å; H87-Y131 AromaticContact CD2-CZ 3.96Å; H87-Y131 PolarHBondContact CD2-OH 2.9Å; H87-Y131 AromaticContact CG-CE2 3.69Å; H87-Y131 AromaticContact CG-CZ 3.59Å; H87-Y131 AromaticContact ND1-CE2 3.65Å; H87-L132 CarbonylContact C-O 3.37Å; H87-L132 WeakPolarHBondContact CA-O 3.46Å; H87-L132 WeakPolarHBondContact CB-O 3.46Å; H87-T133 HydrophobicContact CB-CG2 4.39Å
88	V	95.1	Very high	89.5	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145	168.5	163.5	0	0	0	0	108.4	I79 V81 F90 Y131 L132 I135 L205	I79-V88 HydrophobicContact CD1-CG1 3.83Å; I79-V88 HydrophobicContact CG2-CG1 4.13Å; I79-V88 HydrophobicContact CG2-CG2 4.18Å; V81-V88 HydrophobicContact CG1-CG2 3.94Å; V81-V88 HydrophobicContact CG2-CG2 3.88Å; V88-F90 HydrophobicContact CG1-CD2 4.02Å; V88-F90 HydrophobicContact CG1-CE2 3.62Å; V88-F90 HydrophobicContact CG1-CZ 4.04Å; V88-Y131 WeakPolarHBondContact O-CA 3.25Å; V88-L132 PolarHBondContact N-O 2.9Å; V88-L132 PolarHBondContact O-N 2.8Å; V88-I135 HydrophobicContact CB-CD1 3.95Å; V88-I135 HydrophobicContact CB-CG1 4.46Å; V88-I135 HydrophobicContact CG2-CD1 3.83Å; V88-I135 HydrophobicContact CG2-CG1 3.86Å; V88-L205 HydrophobicContact CG1-CD1 4.18Å; V88-L205 HydrophobicContact CG2-CD1 4.09Å
89	R	95.5	Very high	88.8	Confident	101 Å²	101	67.1 Å²	67.1	38%	0.381	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.1	175.5	177.5	175.6	159.5	162.7	-5.1	110.6	I79 D91 L130 Y131	I79-R89 WeakPolarHBondContact CD1-O 3.27Å; R89-D91 IonicContact CZ-OD1 2.78Å; R89-D91 IonicContact NE-OD1 2.68Å; R89-D91 PolarHBondContact NE-OD1 2.78Å; R89-D91 IonicContact NH2-OD1 2.62Å; R89-D91 PolarHBondContact NH2-OD1 2.86Å; R89-D91 IonicContact NH2-OD2 2.71Å; R89-L130 CarbonylContact C-O 3.49Å; R89-L130 VanDerWaalsContact CA-O 3.28Å; R89-L130 WeakPolarHBondContact CA-O 3.1Å; R89-Y131 HydrophobicContact CB-CD2 4.12Å
90	F	96.4	Very high	88.2	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.2	169.7	-67.5	-77.7	0	0	0	109.7	P76 T77 I79 V88 W105 S129 L130 Y143 A203 L205	P76-F90 HydrophobicContact CB-CB 4.19Å; P76-F90 HydrophobicContact CB-CD1 4.13Å; T77-F90 WeakPolarHBondContact O-CE1 3.16Å; I79-F90 HydrophobicContact CB-CE1 4.09Å; I79-F90 HydrophobicContact CB-CZ 4.26Å; I79-F90 HydrophobicContact CD1-CD1 3.79Å; I79-F90 HydrophobicContact CD1-CE1 3.68Å; I79-F90 HydrophobicContact CD1-CG 4.37Å; I79-F90 HydrophobicContact CD1-CZ 4.17Å; I79-F90 HydrophobicContact CG1-CD1 4.41Å; I79-F90 HydrophobicContact CG1-CE1 3.93Å; V88-F90 HydrophobicContact CG1-CD2 4.02Å; V88-F90 HydrophobicContact CG1-CE2 3.62Å; V88-F90 HydrophobicContact CG1-CZ 4.04Å; F90-W105 HydrophobicContact CB-CH2 3.44Å; F90-W105 VanDerWaalsContact CB-CH2 3.44Å; F90-W105 HydrophobicContact CB-CZ2 4.12Å; F90-W105 HydrophobicContact CB-CZ3 4.03Å; F90-W105 HydrophobicContact CG-CH2 4.33Å; F90-W105 HydrophobicContact CG-CZ3 4.48Å; F90-S129 CarbonylContact O-C 3.37Å; F90-S129 VanDerWaalsContact O-CA 3.26Å; F90-S129 WeakPolarHBondContact O-CA 3.38Å; F90-S129 WeakPolarHBondContact O-CB 3.45Å; F90-L130 HydrophobicContact CB-CB 4.44Å; F90-L130 HydrophobicContact CD2-CD2 4.31Å; F90-L130 PolarHBondContact N-O 3.49Å; F90-L130 PolarHBondContact O-N 3.42Å; F90-Y143 HydrophobicContact CD2-CG 4.47Å; F90-Y143 HydrophobicContact CE2-CD1 4.41Å; F90-Y143 HydrophobicContact CE2-CD2 4.05Å; F90-Y143 AromaticContact CE2-CG 3.95Å; F90-Y143 HydrophobicContact CE2-CG 3.95Å; F90-Y143 HydrophobicContact CZ-CD2 4.23Å; F90-Y143 HydrophobicContact CZ-CG 4.43Å; F90-A203 HydrophobicContact CD1-CB 3.96Å; F90-A203 HydrophobicContact CE1-CB 3.77Å; F90-L205 HydrophobicContact CE2-CB 4.49Å; F90-L205 HydrophobicContact CZ-CB 3.96Å; F90-L205 HydrophobicContact CZ-CD1 4.32Å
91	D	95.3	Very high	87.7	Confident	38 Å²	38	68.2 Å²	68.2	20%	0.203	32%	0.321	C	S	.	.			trans	-67.4	132.8	174.4	-87.2	-5.4	0	0	0	110.8	K74 K75 P76 R89 S129	K74-D91 HydrophobicContact CB-CB 3.92Å; K74-D91 HydrophobicContact CD-CB 3.91Å; K74-D91 WeakPolarHBondContact CD-OD2 3.3Å; K74-D91 IonicContact NZ-OD2 2.73Å; K74-D91 PolarHBondContact NZ-OD2 3.09Å; K75-D91 CarbonylContact C-O 3.11Å; P76-D91 VanDerWaalsContact CA-O 3.32Å; P76-D91 WeakPolarHBondContact CA-O 3.29Å; P76-D91 WeakPolarHBondContact CD-O 3.17Å; R89-D91 IonicContact CZ-OD1 2.78Å; R89-D91 IonicContact NE-OD1 2.68Å; R89-D91 PolarHBondContact NE-OD1 2.78Å; R89-D91 IonicContact NH2-OD1 2.62Å; R89-D91 PolarHBondContact NH2-OD1 2.86Å; R89-D91 IonicContact NH2-OD2 2.71Å; D91-S129 PolarHBondContact OD1-OG 2.96Å
92	C	93.5	Very high	87.5	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.329	C	S	.	.			trans	-143.7	105.6	172	-177.8	0	0	0	0	110.2	K74 W105 G128 S129 C145 V147	K74-C92 WeakPolarHBondContact O-CA 3.44Å; C92-W105 HydrophobicContact CB-CH2 4.22Å; C92-W105 HydrophobicContact CB-CZ2 3.55Å; C92-G128 CarbonylContact O-C 3.49Å; C92-S129 PolarHBondContact N-OG 2.95Å; C92-C145 HydrophobicContact CB-CB 3.73Å; C92-C145 WeakPolarHBondContact CB-SG 3.27Å; C92-C145 WeakPolarHBondContact SG-CB 3.11Å; C92-C145 CovalentContact SG-SG 2.03Å; C92-C145 PolarHBondContact SG-SG 3.33Å; C92-V147 VanDerWaalsContact SG-CG2 3.56Å
93	Q	89.7	Confident	87.4	Confident	43 Å²	43	66.4 Å²	66.4	20%	0.201	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.4	-175	-62.6	-178.2	-33.7	0	0	109.8	F72 V73 K74 N127	F72-Q93 CarbonylContact C-O 2.65Å; F72-Q93 VanDerWaalsContact CA-O 3.26Å; F72-Q93 WeakPolarHBondContact CA-O 3.42Å; V73-Q93 PolarHBondContact N-O 3.03Å; K74-Q93 HydrophobicContact CB-CB 4.12Å; K74-Q93 HydrophobicContact CB-CG 4.42Å; K74-Q93 VanDerWaalsContact CD-OE1 3.22Å; K74-Q93 HydrophobicContact CG-CB 4.45Å; K74-Q93 PolarHBondContact N-O 2.84Å; K74-Q93 PolarHBondContact O-N 2.98Å; Q93-N127 WeakPolarHBondContact CG-O 3.37Å; Q93-N127 PolarHBondContact NE2-ND2 3.1Å
94	I	86.1	Confident	87.6	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	165.1	171.6	64.4	171.2	0	0	0	111.5	Y71 F72 V98 I100 V147 F149 L199	Y71-I94 WeakPolarHBondContact O-CA 3.49Å; F72-I94 HydrophobicContact CD1-CG2 3.72Å; F72-I94 HydrophobicContact CE1-CG2 3.91Å; F72-I94 HydrophobicContact CG-CG2 4.3Å; I94-V98 HydrophobicContact CD1-CG2 3.68Å; I94-V98 HydrophobicContact CG1-CG2 4.4Å; I94-I100 HydrophobicContact CD1-CD1 4.17Å; I94-I100 HydrophobicContact CD1-CG1 4.19Å; I94-I100 HydrophobicContact CG1-CD1 3.69Å; I94-I100 HydrophobicContact CG1-CG1 4.24Å; I94-V147 HydrophobicContact CD1-CG1 3.73Å; I94-V147 HydrophobicContact CG1-CG1 4.12Å; I94-V147 HydrophobicContact CG2-CB 4.41Å; I94-V147 HydrophobicContact CG2-CG1 4.38Å; I94-V147 HydrophobicContact CG2-CG2 4.25Å; I94-F149 HydrophobicContact CD1-CB 4.09Å; I94-F149 HydrophobicContact CD1-CD1 3.69Å; I94-F149 HydrophobicContact CD1-CE1 4.36Å; I94-F149 HydrophobicContact CD1-CG 3.93Å; I94-L199 HydrophobicContact CG2-CD2 4.11Å
95	N	80.7	Confident	87.8	Confident	25 Å²	25	61 Å²	61	13%	0.134	29%	0.288	C	S	.	.			trans	-63.3	132.2	-178	-178.5	24.2	0	0	0	112.3	Y71 V73 R97	Y71-N95 PolarHBondContact O-N 2.88Å; V73-N95 HydrophobicContact CG2-CB 3.99Å; N95-R97 PolarHBondContact O-N 3.01Å
96	E	68.7	Low	87.9	Confident	185 Å²	185	60.7 Å²	60.7	86%	0.864	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	11.4	-169.2	-58.2	175.1	159	0	0	116.1
97	R	72.7	Confident	87.9	Confident	144 Å²	144	52.1 Å²	52.1	54%	0.543	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.7	-176.5	-63.9	-171	172.1	-145.6	-10.6	114.2	N95 S152	N95-R97 PolarHBondContact O-N 3.01Å; R97-S152 PolarHBondContact O-OG 2.77Å
98	V	76.3	Confident	87.8	Confident	15 Å²	15	51.3 Å²	51.3	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.1	180	-70.2	0	0	0	0	111.7	I70 I94 I100 F149 S150 Y151	I70-V98 HydrophobicContact CD1-CG1 3.42Å; I70-V98 VanDerWaalsContact CD1-CG1 3.42Å; I70-V98 HydrophobicContact CG1-CG1 4.23Å; I94-V98 HydrophobicContact CD1-CG2 3.68Å; I94-V98 HydrophobicContact CG1-CG2 4.4Å; V98-I100 PolarHBondContact O-N 2.74Å; V98-F149 HydrophobicContact CB-CB 4.36Å; V98-F149 HydrophobicContact CB-CD2 3.87Å; V98-F149 HydrophobicContact CB-CG 4.4Å; V98-F149 HydrophobicContact CG1-CD2 3.91Å; V98-F149 HydrophobicContact CG1-CE2 4.27Å; V98-F149 HydrophobicContact CG2-CB 4.04Å; V98-F149 HydrophobicContact CG2-CD2 3.88Å; V98-F149 HydrophobicContact CG2-CG 4.03Å; V98-S150 WeakPolarHBondContact CB-O 2.99Å; V98-Y151 HydrophobicContact CG1-CD1 4.31Å
99	N	80.9	Confident	87.6	Confident	96 Å²	96	58.7 Å²	58.7	51%	0.513	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.5	173.7	-174.5	30	0	0	0	109	F149 S150	N99-F149 CarbonylContact O-C 3.54Å; N99-F149 VanDerWaalsContact O-CA 3.23Å; N99-F149 WeakPolarHBondContact O-CA 3.31Å; N99-F149 WeakPolarHBondContact O-CB 3.17Å; N99-S150 PolarHBondContact N-O 3.22Å; N99-S150 PolarHBondContact O-N 3.24Å
100	I	83.9	Confident	87.3	Confident	57 Å²	57	58 Å²	58	29%	0.292	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.6	-177.8	-50.1	-175.2	0	0	0	108.6	I94 V98 Y103 V147	I94-I100 HydrophobicContact CD1-CD1 4.17Å; I94-I100 HydrophobicContact CD1-CG1 4.19Å; I94-I100 HydrophobicContact CG1-CD1 3.69Å; I94-I100 HydrophobicContact CG1-CG1 4.24Å; V98-I100 PolarHBondContact O-N 2.74Å; I100-Y103 HydrophobicContact CD1-CE2 4.44Å; I100-Y103 VanDerWaalsContact CD1-OH 3.27Å; I100-Y103 WeakPolarHBondContact CD1-OH 3.5Å; I100-Y103 HydrophobicContact CG2-CD2 4.25Å; I100-Y103 HydrophobicContact CG2-CE2 3.78Å; I100-V147 HydrophobicContact CG2-CG1 3.84Å
101	L	84.6	Confident	87	Confident	78 Å²	78	59.4 Å²	59.4	41%	0.408	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-41.3	-176.2	-58.3	178.6	0	0	0	111.5	I148 K196	L101-I148 WeakPolarHBondContact CA-O 3.43Å; L101-I148 HydrophobicContact CB-CG2 4.33Å; L101-I148 WeakPolarHBondContact CB-O 3.26Å; L101-I148 HydrophobicContact CD1-CG2 4.27Å; L101-I148 PolarHBondContact N-O 2.96Å; L101-K196 HydrophobicContact CD1-CD 4.17Å; L101-K196 HydrophobicContact CD1-CG 3.92Å
102	S	89	Confident	86.8	Confident	50 Å²	50	57.6 Å²	57.6	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	160.9	173.8	64.6	0	0	0	0	113.6	I148	S102-I148 PolarHBondContact N-O 3.21Å; S102-I148 PolarHBondContact O-N 3.44Å
103	Y	90.8	Very high	86.4	Confident	51 Å²	51	61.4 Å²	61.4	20%	0.2	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.8	165.6	-68.8	-87.1	0	0	0	108.9	I100 G128 V147	I100-Y103 HydrophobicContact CD1-CE2 4.44Å; I100-Y103 VanDerWaalsContact CD1-OH 3.27Å; I100-Y103 WeakPolarHBondContact CD1-OH 3.5Å; I100-Y103 HydrophobicContact CG2-CD2 4.25Å; I100-Y103 HydrophobicContact CG2-CE2 3.78Å; Y103-G128 VanDerWaalsContact CD2-CA 3.44Å; Y103-V147 HydrophobicContact CD1-CB 4.3Å; Y103-V147 HydrophobicContact CD1-CG1 3.88Å; Y103-V147 HydrophobicContact CD1-CG2 3.72Å; Y103-V147 HydrophobicContact CE1-CB 4.34Å; Y103-V147 HydrophobicContact CE1-CG1 3.66Å; Y103-V147 HydrophobicContact CE1-CG2 3.76Å
104	K	92.6	Very high	86.3	Confident	78 Å²	78	65.5 Å²	65.5	34%	0.339	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.9	177.7	-177.6	171.9	-172.1	169.5	0	110.2	L106 D111 C145 Q146	K104-L106 HydrophobicContact CD-CD2 4.39Å; K104-L106 HydrophobicContact CG-CD2 4.38Å; K104-D111 WeakPolarHBondContact CE-OD2 3.34Å; K104-D111 IonicContact NZ-OD2 2.74Å; K104-D111 PolarHBondContact NZ-OD2 2.85Å; K104-C145 WeakPolarHBondContact O-CA 3.31Å; K104-Q146 HydrophobicContact CB-CB 4.32Å; K104-Q146 PolarHBondContact N-O 3.02Å; K104-Q146 PolarHBondContact O-N 3.38Å
105	W	94.9	Very high	86.3	Confident	1 Å²	1	66.9 Å²	66.9	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.6	179.2	-80.4	93.1	0	0	0	111.8	P76 F90 C92 I112 G128 L130 T144 C145	P76-W105 HydrophobicContact CB-CH2 4.05Å; P76-W105 HydrophobicContact CG-CH2 4.28Å; F90-W105 HydrophobicContact CB-CH2 3.44Å; F90-W105 VanDerWaalsContact CB-CH2 3.44Å; F90-W105 HydrophobicContact CB-CZ2 4.12Å; F90-W105 HydrophobicContact CB-CZ3 4.03Å; F90-W105 HydrophobicContact CG-CH2 4.33Å; F90-W105 HydrophobicContact CG-CZ3 4.48Å; C92-W105 HydrophobicContact CB-CH2 4.22Å; C92-W105 HydrophobicContact CB-CZ2 3.55Å; W105-I112 HydrophobicContact CB-CB 4.47Å; W105-I112 HydrophobicContact CB-CG2 3.93Å; W105-I112 WeakPolarHBondContact O-CG2 2.93Å; W105-I112 PolarHBondContact O-N 2.9Å; W105-G128 PolarHBondContact NE1-O 2.87Å; W105-L130 HydrophobicContact CB-CD2 4.45Å; W105-L130 HydrophobicContact CD2-CB 3.65Å; W105-L130 HydrophobicContact CD2-CD2 3.9Å; W105-L130 HydrophobicContact CD2-CG 4.34Å; W105-L130 VanDerWaalsContact CE2-CB 3.42Å; W105-L130 HydrophobicContact CE3-CB 4.14Å; W105-L130 HydrophobicContact CE3-CD2 3.8Å; W105-L130 HydrophobicContact CG-CB 4.04Å; W105-L130 HydrophobicContact CG-CD2 4.21Å; W105-L130 HydrophobicContact CH2-CB 4.18Å; W105-L130 HydrophobicContact CZ2-CB 3.68Å; W105-L130 HydrophobicContact CZ3-CB 4.4Å; W105-L130 HydrophobicContact CZ3-CD2 4.33Å; W105-T144 WeakPolarHBondContact CA-O 3.07Å; W105-C145 HydrophobicContact CD2-CB 4.1Å; W105-C145 HydrophobicContact CE3-CB 4.13Å; W105-C145 HydrophobicContact CH2-CB 3.62Å; W105-C145 HydrophobicContact CZ2-CB 3.59Å; W105-C145 HydrophobicContact CZ3-CB 3.89Å
106	L	93.9	Very high	86.5	Confident	19 Å²	19	69.8 Å²	69.8	10%	0.099	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.6	177.2	-48.7	179.4	0	0	0	110.3	K104 I110 D111 Y143 T144 Q146	K104-L106 HydrophobicContact CD-CD2 4.39Å; K104-L106 HydrophobicContact CG-CD2 4.38Å; L106-I110 CarbonylContact C-O 3.58Å; L106-I110 WeakPolarHBondContact CA-O 3.35Å; L106-I110 WeakPolarHBondContact CB-O 3.14Å; L106-D111 HydrophobicContact CD2-CB 4.38Å; L106-Y143 CarbonylContact O-C 3.52Å; L106-Y143 VanDerWaalsContact O-CA 3.29Å; L106-Y143 WeakPolarHBondContact O-CA 3.48Å; L106-T144 PolarHBondContact N-O 2.89Å; L106-T144 PolarHBondContact O-N 3.38Å; L106-Q146 HydrophobicContact CD1-CG 4.43Å
107	K	92.8	Very high	87.2	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.5	163.2	179.5	-176.4	177	-168.1	0	108.6	K109 I110 Q115 I118 N138 I142 Y143	K107-K109 PolarHBondContact O-N 3.22Å; K107-K109 VanDerWaalsContact O-N 3.1Å; K107-I110 PolarHBondContact N-O 3.25Å; K107-I110 WeakPolarHBondContact O-CB 3.11Å; K107-I110 PolarHBondContact O-N 3.35Å; K107-I110 VanDerWaalsContact O-O 3.1Å; K107-Q115 HydrophobicContact CD-CG 4.39Å; K107-I118 HydrophobicContact CD-CD1 3.48Å; K107-I118 VanDerWaalsContact CD-CD1 3.48Å; K107-N138 PolarHBondContact NZ-O 2.99Å; K107-I142 CarbonylContact C-O 3.31Å; K107-I142 WeakPolarHBondContact CA-O 3.4Å; K107-Y143 HydrophobicContact CB-CD1 4.42Å; K107-Y143 HydrophobicContact CB-CE1 4.14Å; K107-Y143 HydrophobicContact CD-CE1 4.33Å; K107-Y143 HydrophobicContact CG-CE1 4.22Å; K107-Y143 HydrophobicContact CG-CE2 4.38Å
108	N	90.3	Very high	87.9	Confident	76 Å²	76	57.7 Å²	57.7	41%	0.406	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.1	179.1	-60.4	-21.2	0	0	0	113.6	I110 G141 I142	N108-I110 PolarHBondContact O-N 2.85Å; N108-G141 WeakPolarHBondContact OD1-CA 3.32Å; N108-I142 PolarHBondContact N-O 2.8Å; N108-I142 PolarHBondContact OD1-N 3.17Å
109	K	90.1	Very high	88.1	Confident	161 Å²	161	61.9 Å²	61.9	70%	0.7	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-7.7	-172	-49.9	175.7	-177.8	175	0	116.4	K107	K107-K109 PolarHBondContact O-N 3.22Å; K107-K109 VanDerWaalsContact O-N 3.1Å
110	I	91	Very high	88.4	Confident	87 Å²	87	65.4 Å²	65.4	45%	0.446	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	144.3	170.4	-57	174.8	0	0	0	108.2	L106 K107 N108 I112 L114	L106-I110 CarbonylContact C-O 3.58Å; L106-I110 WeakPolarHBondContact CA-O 3.35Å; L106-I110 WeakPolarHBondContact CB-O 3.14Å; K107-I110 PolarHBondContact N-O 3.25Å; K107-I110 WeakPolarHBondContact O-CB 3.11Å; K107-I110 PolarHBondContact O-N 3.35Å; K107-I110 VanDerWaalsContact O-O 3.1Å; N108-I110 PolarHBondContact O-N 2.85Å; I110-I112 PolarHBondContact O-N 3.42Å; I110-L114 HydrophobicContact CG2-CB 4.03Å
111	D	90.2	Very high	88.8	Confident	31 Å²	31	63.9 Å²	63.9	17%	0.166	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.5	174	-160.6	-46.5	0	0	0	110.4	K104 L106 N113 L114	K104-D111 WeakPolarHBondContact CE-OD2 3.34Å; K104-D111 IonicContact NZ-OD2 2.74Å; K104-D111 PolarHBondContact NZ-OD2 2.85Å; L106-D111 HydrophobicContact CD2-CB 4.38Å; D111-N113 PolarHBondContact O-N 3.47Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.24Å; D111-N113 PolarHBondContact OD1-N 2.8Å; D111-N113 VanDerWaalsContact OD1-N 3.11Å; D111-L114 HydrophobicContact CB-CB 4.38Å; D111-L114 HydrophobicContact CB-CD1 3.84Å; D111-L114 HydrophobicContact CB-CG 3.97Å; D111-L114 PolarHBondContact O-N 3.17Å
112	I	90.5	Very high	89.2	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.1	-179.4	-162.5	166.4	0	0	0	112	W105 I110 L114 Q115 I118 Y122 L130 Y143	W105-I112 HydrophobicContact CB-CB 4.47Å; W105-I112 HydrophobicContact CB-CG2 3.93Å; W105-I112 WeakPolarHBondContact O-CG2 2.93Å; W105-I112 PolarHBondContact O-N 2.9Å; I110-I112 PolarHBondContact O-N 3.42Å; I112-L114 PolarHBondContact O-N 3.43Å; I112-Q115 PolarHBondContact O-N 3.07Å; I112-I118 HydrophobicContact CD1-CG2 3.95Å; I112-I118 HydrophobicContact CG1-CG2 3.66Å; I112-Y122 HydrophobicContact CD1-CD2 4.02Å; I112-Y122 HydrophobicContact CD1-CG 4.1Å; I112-Y122 HydrophobicContact CG1-CD2 4.26Å; I112-Y122 HydrophobicContact CG1-CG 4.27Å; I112-Y122 HydrophobicContact CG2-CD2 4.01Å; I112-Y122 HydrophobicContact CG2-CE2 3.76Å; I112-L130 HydrophobicContact CD1-CD1 3.76Å; I112-L130 HydrophobicContact CD1-CD2 3.68Å; I112-L130 HydrophobicContact CD1-CG 4.38Å; I112-Y143 HydrophobicContact CD1-CE1 4.26Å
113	N	85.7	Confident	89.4	Confident	79 Å²	79	66 Å²	66	42%	0.422	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-67.4	-18.1	175.4	-60	6.9	0	0	0	113.1	D111 Y122	D111-N113 PolarHBondContact O-N 3.47Å; D111-N113 VanDerWaalsContact O-N 3.14Å; D111-N113 WeakPolarHBondContact OD1-CB 3.24Å; D111-N113 PolarHBondContact OD1-N 2.8Å; D111-N113 VanDerWaalsContact OD1-N 3.11Å; N113-Y122 PolarHBondContact OD1-OH 2.79Å
114	L	87	Confident	89.5	Confident	130 Å²	130	66.4 Å²	66.4	68%	0.681	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-103.1	1.1	-177.6	-61.6	174.9	0	0	0	113.3	I110 D111 I112 P116	I110-L114 HydrophobicContact CG2-CB 4.03Å; D111-L114 HydrophobicContact CB-CB 4.38Å; D111-L114 HydrophobicContact CB-CD1 3.84Å; D111-L114 HydrophobicContact CB-CG 3.97Å; D111-L114 PolarHBondContact O-N 3.17Å; I112-L114 PolarHBondContact O-N 3.43Å; L114-P116 WeakPolarHBondContact O-CD 3.16Å
115	Q	85.9	Confident	89.5	Confident	35 Å²	35	64.7 Å²	64.7	16%	0.164	32%	0.32	C	S	.	.			trans	-92.6	109.2	177.8	-173.7	75.5	33	0	0	110.8	K107 I112 D117 I118 Q119	K107-Q115 HydrophobicContact CD-CG 4.39Å; I112-Q115 PolarHBondContact O-N 3.07Å; Q115-D117 PolarHBondContact NE2-OD2 3.19Å; Q115-D117 PolarHBondContact O-N 2.94Å; Q115-I118 HydrophobicContact CB-CB 4.25Å; Q115-I118 HydrophobicContact CG-CB 4.12Å; Q115-I118 HydrophobicContact CG-CD1 4.18Å; Q115-I118 HydrophobicContact CG-CG1 4.18Å; Q115-I118 PolarHBondContact O-N 2.93Å; Q115-I118 VanDerWaalsContact O-N 3.11Å; Q115-Q119 PolarHBondContact O-N 2.82Å
116	P	85.3	Confident	89.1	Confident	87 Å²	87	74.4 Å²	74.4	57%	0.565	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-39.7	-173.1	23.5	-33.7	0	0	0	113.1	L114 I118	L114-P116 WeakPolarHBondContact O-CD 3.16Å; P116-I118 PolarHBondContact O-N 3.47Å; P116-I118 VanDerWaalsContact O-N 3.11Å
117	D	82.5	Confident	88.7	Confident	74 Å²	74	76 Å²	76	40%	0.396	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.4	-179.1	-35.9	-76.7	0	0	0	113.5	Q115 R121	Q115-D117 PolarHBondContact NE2-OD2 3.19Å; Q115-D117 PolarHBondContact O-N 2.94Å; D117-R121 VanDerWaalsContact O-CZ 3.29Å; D117-R121 PolarHBondContact O-NE 2.77Å; D117-R121 PolarHBondContact O-NH2 3.48Å
118	I	87.3	Confident	88.6	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-25	-171.2	-73.1	-179.7	0	0	0	112.1	K107 I112 Q115 P116 H120 R121 Y122 L132 D139 Y143	K107-I118 HydrophobicContact CD-CD1 3.48Å; K107-I118 VanDerWaalsContact CD-CD1 3.48Å; I112-I118 HydrophobicContact CD1-CG2 3.95Å; I112-I118 HydrophobicContact CG1-CG2 3.66Å; Q115-I118 HydrophobicContact CB-CB 4.25Å; Q115-I118 HydrophobicContact CG-CB 4.12Å; Q115-I118 HydrophobicContact CG-CD1 4.18Å; Q115-I118 HydrophobicContact CG-CG1 4.18Å; Q115-I118 PolarHBondContact O-N 2.93Å; Q115-I118 VanDerWaalsContact O-N 3.11Å; P116-I118 PolarHBondContact O-N 3.47Å; P116-I118 VanDerWaalsContact O-N 3.11Å; I118-H120 PolarHBondContact O-N 2.84Å; I118-R121 PolarHBondContact O-N 3.18Å; I118-Y122 HydrophobicContact CG2-CD1 4.03Å; I118-Y122 HydrophobicContact CG2-CG 4.18Å; I118-Y122 WeakPolarHBondContact O-CD1 3.49Å; I118-Y122 PolarHBondContact O-N 2.05Å; I118-L132 HydrophobicContact CG1-CD1 4.41Å; I118-L132 HydrophobicContact CG2-CD1 3.83Å; I118-D139 WeakPolarHBondContact CG1-OD1 3.35Å; I118-Y143 WeakPolarHBondContact CD1-OH 3.21Å
119	Q	81.9	Confident	88.8	Confident	103 Å²	103	72.1 Å²	72.1	48%	0.481	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-33.7	-170.9	-171.1	177.6	-5.1	0	0	114.7	Q115 Y122	Q115-Q119 PolarHBondContact O-N 2.82Å; Q119-Y122 WeakPolarHBondContact O-CE1 3.28Å
120	H	86.1	Confident	89	Confident	170 Å²	170	64.5 Å²	64.5	79%	0.787	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.7	-179.3	-54.8	-60.8	0	0	0	115.3	I118	I118-H120 PolarHBondContact O-N 2.84Å
121	R	92.3	Very high	89.2	Confident	25 Å²	25	63.4 Å²	63.4	9%	0.094	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-5	-168.7	-64.1	-171.6	-64.3	119.1	-1.1	115.2	D117 I118 L132 T133 Q134 N136 D139	D117-R121 VanDerWaalsContact O-CZ 3.29Å; D117-R121 PolarHBondContact O-NE 2.77Å; D117-R121 PolarHBondContact O-NH2 3.48Å; I118-R121 PolarHBondContact O-N 3.18Å; R121-L132 HydrophobicContact CB-CD1 4.23Å; R121-T133 PolarHBondContact NH1-O 3.48Å; R121-T133 PolarHBondContact O-N 2.63Å; R121-T133 PolarHBondContact O-OG1 2.86Å; R121-Q134 PolarHBondContact NH1-O 2.82Å; R121-N136 PolarHBondContact NH2-ND2 2.88Å; R121-N136 VanDerWaalsContact NH2-ND2 3.12Å; R121-D139 IonicContact CZ-OD1 3.15Å; R121-D139 IonicContact CZ-OD2 3.9Å; R121-D139 IonicContact NH1-OD1 2.92Å; R121-D139 IonicContact NH1-OD2 3.7Å; R121-D139 PolarHBondContact NH1-OD2 2.75Å; R121-D139 IonicContact NH2-OD1 3.14Å; R121-D139 PolarHBondContact NH2-OD1 2.81Å; R121-D139 IonicContact NH2-OD2 2.87Å; R121-D139 PolarHBondContact NH2-OD2 2.9Å
122	Y	93	Very high	89.4	Confident	61 Å²	61	62 Å²	62	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	157.3	-177.8	84.9	-72.2	0	0	0	113	I112 N113 I118 Q119 I124 L130 Y131	I112-Y122 HydrophobicContact CD1-CD2 4.02Å; I112-Y122 HydrophobicContact CD1-CG 4.1Å; I112-Y122 HydrophobicContact CG1-CD2 4.26Å; I112-Y122 HydrophobicContact CG1-CG 4.27Å; I112-Y122 HydrophobicContact CG2-CD2 4.01Å; I112-Y122 HydrophobicContact CG2-CE2 3.76Å; N113-Y122 PolarHBondContact OD1-OH 2.79Å; I118-Y122 HydrophobicContact CG2-CD1 4.03Å; I118-Y122 HydrophobicContact CG2-CG 4.18Å; I118-Y122 WeakPolarHBondContact O-CD1 3.49Å; I118-Y122 PolarHBondContact O-N 2.05Å; Q119-Y122 WeakPolarHBondContact O-CE1 3.28Å; Y122-I124 HydrophobicContact CD2-CG1 4.43Å; Y122-I124 HydrophobicContact CE2-CD1 4.46Å; Y122-I124 HydrophobicContact CE2-CG1 4.33Å; Y122-L130 HydrophobicContact CD2-CD1 3.94Å; Y122-Y131 CarbonylContact C-O 3.42Å; Y122-Y131 VanDerWaalsContact CA-O 3.28Å; Y122-Y131 WeakPolarHBondContact CA-O 3.4Å
123	Q	93.2	Very high	89.5	Confident	111 Å²	111	63.9 Å²	63.9	52%	0.519	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133.4	172.2	-175.3	-177.6	18.8	0	0	109.1	L125 Y131	Q123-L125 HydrophobicContact CG-CD2 4.39Å; Q123-Y131 PolarHBondContact N-O 2.73Å; Q123-Y131 PolarHBondContact O-N 3.26Å
124	I	92.4	Very high	89.8	Confident	60 Å²	60	66.8 Å²	66.8	31%	0.308	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.1	167.5	-58.1	170.7	0	0	0	107.3	Y122 L130	Y122-I124 HydrophobicContact CD2-CG1 4.43Å; Y122-I124 HydrophobicContact CE2-CD1 4.46Å; Y122-I124 HydrophobicContact CE2-CG1 4.33Å; I124-L130 HydrophobicContact CG1-CD1 4.32Å
125	L	92.5	Very high	90.1	Very high	42 Å²	42	60.7 Å²	60.7	22%	0.22	30%	0.295	C	S	.	.			trans	-76.1	155.3	179.1	-58.1	-179.5	0	0	0	110.5	Q123 N127 G128 S129	Q123-L125 HydrophobicContact CG-CD2 4.39Å; L125-N127 PolarHBondContact O-N 2.63Å; L125-G128 PolarHBondContact O-N 2.89Å; L125-S129 WeakPolarHBondContact CB-O 3.42Å; L125-S129 WeakPolarHBondContact CG-O 3.3Å; L125-S129 PolarHBondContact N-O 2.77Å
126	Q	86.2	Confident	90.3	Very high	206 Å²	206	61.2 Å²	61.2	96%	0.963	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-25.8	179.1	-70.6	178.1	-22	0	0	114.2	G128	Q126-G128 VanDerWaalsContact C-N 3.34Å
127	N	87.3	Confident	90.5	Very high	53 Å²	53	60.3 Å²	60.3	28%	0.283	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	12.7	178.9	71.3	13.3	0	0	0	114.2	Q93 L125 S129	Q93-N127 WeakPolarHBondContact CG-O 3.37Å; Q93-N127 PolarHBondContact NE2-ND2 3.1Å; L125-N127 PolarHBondContact O-N 2.63Å; N127-S129 VanDerWaalsContact C-N 3.35Å; N127-S129 PolarHBondContact O-N 3.36Å; N127-S129 WeakPolarHBondContact OD1-CB 3.24Å; N127-S129 PolarHBondContact OD1-N 3.07Å; N127-S129 VanDerWaalsContact OD1-N 3.09Å; N127-S129 PolarHBondContact OD1-OG 3.15Å
128	G	89	Confident	90.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	86.3	-11.3	179.1	0	0	0	0	0	116.7	C92 Y103 W105 L125 Q126	C92-G128 CarbonylContact O-C 3.49Å; Y103-G128 VanDerWaalsContact CD2-CA 3.44Å; W105-G128 PolarHBondContact NE1-O 2.87Å; L125-G128 PolarHBondContact O-N 2.89Å; Q126-G128 VanDerWaalsContact C-N 3.34Å
129	S	94.4	Very high	91.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.291	C	S	.	.			trans	-75.4	134.9	-175.5	-50.4	0	0	0	0	111.6	F90 D91 C92 L125 N127	F90-S129 CarbonylContact O-C 3.37Å; F90-S129 VanDerWaalsContact O-CA 3.26Å; F90-S129 WeakPolarHBondContact O-CA 3.38Å; F90-S129 WeakPolarHBondContact O-CB 3.45Å; D91-S129 PolarHBondContact OD1-OG 2.96Å; C92-S129 PolarHBondContact N-OG 2.95Å; L125-S129 WeakPolarHBondContact CB-O 3.42Å; L125-S129 WeakPolarHBondContact CG-O 3.3Å; L125-S129 PolarHBondContact N-O 2.77Å; N127-S129 VanDerWaalsContact C-N 3.35Å; N127-S129 PolarHBondContact O-N 3.36Å; N127-S129 WeakPolarHBondContact OD1-CB 3.24Å; N127-S129 PolarHBondContact OD1-N 3.07Å; N127-S129 VanDerWaalsContact OD1-N 3.09Å; N127-S129 PolarHBondContact OD1-OG 3.15Å
130	L	95.3	Very high	91.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.7	175.1	174.6	64.8	0	0	0	110.6	R89 F90 W105 I112 Y122 I124 Y143	R89-L130 CarbonylContact C-O 3.49Å; R89-L130 VanDerWaalsContact CA-O 3.28Å; R89-L130 WeakPolarHBondContact CA-O 3.1Å; F90-L130 HydrophobicContact CB-CB 4.44Å; F90-L130 HydrophobicContact CD2-CD2 4.31Å; F90-L130 PolarHBondContact N-O 3.49Å; F90-L130 PolarHBondContact O-N 3.42Å; W105-L130 HydrophobicContact CB-CD2 4.45Å; W105-L130 HydrophobicContact CD2-CB 3.65Å; W105-L130 HydrophobicContact CD2-CD2 3.9Å; W105-L130 HydrophobicContact CD2-CG 4.34Å; W105-L130 VanDerWaalsContact CE2-CB 3.42Å; W105-L130 HydrophobicContact CE3-CB 4.14Å; W105-L130 HydrophobicContact CE3-CD2 3.8Å; W105-L130 HydrophobicContact CG-CB 4.04Å; W105-L130 HydrophobicContact CG-CD2 4.21Å; W105-L130 HydrophobicContact CH2-CB 4.18Å; W105-L130 HydrophobicContact CZ2-CB 3.68Å; W105-L130 HydrophobicContact CZ3-CB 4.4Å; W105-L130 HydrophobicContact CZ3-CD2 4.33Å; I112-L130 HydrophobicContact CD1-CD1 3.76Å; I112-L130 HydrophobicContact CD1-CD2 3.68Å; I112-L130 HydrophobicContact CD1-CG 4.38Å; Y122-L130 HydrophobicContact CD2-CD1 3.94Å; I124-L130 HydrophobicContact CG1-CD1 4.32Å; L130-Y143 HydrophobicContact CD2-CD1 3.7Å; L130-Y143 HydrophobicContact CD2-CE1 4.23Å
131	Y	94.8	Very high	91.9	Very high	65 Å²	65	50.6 Å²	50.6	26%	0.255	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.1	173.4	-168.3	-103.8	0	0	0	108.6	H87 V88 R89 Y122 Q123 T133	H87-Y131 HydrophobicContact CB-CE1 4.14Å; H87-Y131 HydrophobicContact CB-CE2 3.92Å; H87-Y131 AromaticContact CD2-CZ 3.96Å; H87-Y131 PolarHBondContact CD2-OH 2.9Å; H87-Y131 AromaticContact CG-CE2 3.69Å; H87-Y131 AromaticContact CG-CZ 3.59Å; H87-Y131 AromaticContact ND1-CE2 3.65Å; V88-Y131 WeakPolarHBondContact O-CA 3.25Å; R89-Y131 HydrophobicContact CB-CD2 4.12Å; Y122-Y131 CarbonylContact C-O 3.42Å; Y122-Y131 VanDerWaalsContact CA-O 3.28Å; Y122-Y131 WeakPolarHBondContact CA-O 3.4Å; Q123-Y131 PolarHBondContact N-O 2.73Å; Q123-Y131 PolarHBondContact O-N 3.26Å; Y131-T133 HydrophobicContact CD1-CG2 3.98Å; Y131-T133 HydrophobicContact CE1-CG2 3.62Å
132	L	94.1	Very high	92	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.6	-178.5	-177.8	66	0	0	0	109.2	H87 V88 I118 R121 I135 D139 L205	H87-L132 CarbonylContact C-O 3.37Å; H87-L132 WeakPolarHBondContact CA-O 3.46Å; H87-L132 WeakPolarHBondContact CB-O 3.46Å; V88-L132 PolarHBondContact N-O 2.9Å; V88-L132 PolarHBondContact O-N 2.8Å; I118-L132 HydrophobicContact CG1-CD1 4.41Å; I118-L132 HydrophobicContact CG2-CD1 3.83Å; R121-L132 HydrophobicContact CB-CD1 4.23Å; L132-I135 HydrophobicContact CB-CD1 4.13Å; L132-I135 HydrophobicContact CD2-CD1 3.73Å; L132-I135 HydrophobicContact CG-CD1 3.69Å; L132-D139 HydrophobicContact CD2-CB 4.24Å; L132-L205 HydrophobicContact CD2-CD2 4.25Å
133	T	93.9	Very high	92.1	Very high	40 Å²	40	49.3 Å²	49.3	25%	0.245	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	160.9	-173.4	61.5	0	0	0	0	112.7	H87 R121 Y131	H87-T133 HydrophobicContact CB-CG2 4.39Å; R121-T133 PolarHBondContact NH1-O 3.48Å; R121-T133 PolarHBondContact O-N 2.63Å; R121-T133 PolarHBondContact O-OG1 2.86Å; Y131-T133 HydrophobicContact CD1-CG2 3.98Å; Y131-T133 HydrophobicContact CE1-CG2 3.62Å
134	Q	90.6	Very high	92.2	Very high	140 Å²	140	44.7 Å²	44.7	65%	0.654	22%	0.221	S	C	*	.	S	Bend	trans	51.8	60.5	177.1	-54.7	173.5	-17.3	0	0	112.5	K86 R121 N136	K86-Q134 PolarHBondContact O-N 2.75Å; K86-Q134 VanDerWaalsContact O-N 3.12Å; R121-Q134 PolarHBondContact NH1-O 2.82Å; Q134-N136 PolarHBondContact O-N 3.42Å
135	I	93.7	Very high	92.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.206	C	C	.	.			trans	-67.1	126.6	-168.3	-53.7	-61.5	0	0	0	111.8	V81 H84 A85 V88 L132 D139 V207	V81-I135 HydrophobicContact CG2-CG2 4.09Å; H84-I135 WeakPolarHBondContact CA-O 3.28Å; H84-I135 PolarHBondContact N-O 3.02Å; A85-I135 HydrophobicContact CB-CB 4.22Å; A85-I135 HydrophobicContact CB-CG1 4.17Å; A85-I135 WeakPolarHBondContact O-CG1 3.38Å; A85-I135 PolarHBondContact O-N 2.75Å; A85-I135 VanDerWaalsContact O-N 3.12Å; V88-I135 HydrophobicContact CB-CD1 3.95Å; V88-I135 HydrophobicContact CB-CG1 4.46Å; V88-I135 HydrophobicContact CG2-CD1 3.83Å; V88-I135 HydrophobicContact CG2-CG1 3.86Å; L132-I135 HydrophobicContact CB-CD1 4.13Å; L132-I135 HydrophobicContact CD2-CD1 3.73Å; L132-I135 HydrophobicContact CG-CD1 3.69Å; I135-D139 WeakPolarHBondContact CA-OD2 3.47Å; I135-D139 HydrophobicContact CG2-CB 4.37Å; I135-V207 HydrophobicContact CG2-CB 4.48Å; I135-V207 HydrophobicContact CG2-CG1 4Å; I135-V207 HydrophobicContact CG2-CG2 3.6Å
136	N	91.4	Very high	92.4	Very high	46 Å²	46	41.6 Å²	41.6	25%	0.246	20%	0.204	C	C	.	.			trans	-117.4	166.2	176.2	68.2	57.6	0	0	0	111.6	R121 Q134 N138 D139	R121-N136 PolarHBondContact NH2-ND2 2.88Å; R121-N136 VanDerWaalsContact NH2-ND2 3.12Å; Q134-N136 PolarHBondContact O-N 3.42Å; N136-N138 PolarHBondContact O-N 2.88Å; N136-N138 WeakPolarHBondContact OD1-CA 3.3Å; N136-N138 VanDerWaalsContact OD1-CB 3.29Å; N136-N138 WeakPolarHBondContact OD1-CB 3.05Å; N136-N138 PolarHBondContact OD1-N 3.4Å; N136-D139 PolarHBondContact N-OD2 2.87Å; N136-D139 WeakPolarHBondContact O-CB 3.42Å; N136-D139 PolarHBondContact O-N 2.88Å; N136-D139 PolarHBondContact OD1-N 2.83Å
137	R	89.4	Confident	92.6	Very high	68 Å²	68	31.8 Å²	31.8	26%	0.257	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-58.1	-31.2	-179.2	68.1	-170.5	66.3	-169.3	5.6	115	E83 D139 T140 Y209 D237	E83-R137 WeakPolarHBondContact OE1-CB 3.39Å; E83-R137 IonicContact OE1-CZ 3.5Å; E83-R137 PolarHBondContact OE1-N 2.79Å; E83-R137 IonicContact OE1-NE 2.68Å; E83-R137 PolarHBondContact OE1-NE 3.5Å; E83-R137 IonicContact OE1-NH2 3.42Å; E83-R137 PolarHBondContact OE1-NH2 2.89Å; E83-R137 IonicContact OE2-CZ 2.76Å; E83-R137 IonicContact OE2-NE 3.97Å; E83-R137 IonicContact OE2-NH2 3.5Å; E83-R137 PolarHBondContact OE2-NH2 3.41Å; R137-D139 PolarHBondContact O-N 2.89Å; R137-T140 WeakPolarHBondContact O-CB 3.29Å; R137-T140 PolarHBondContact O-N 2.87Å; R137-T140 PolarHBondContact O-OG1 2.79Å; R137-Y209 HydrophobicContact CB-CD1 3.67Å; R137-Y209 HydrophobicContact CB-CE1 3.81Å; R137-Y209 HydrophobicContact CB-CG 4.46Å; R137-D237 IonicContact NH1-OD2 3.27Å; R137-D237 PolarHBondContact NH1-OD2 2.84Å
138	N	89	Confident	92.6	Very high	102 Å²	102	32.1 Å²	32.1	55%	0.545	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-72.1	-12.6	179.5	-59.5	1.2	0	0	0	112.5	K107 N136 T140	K107-N138 PolarHBondContact NZ-O 2.99Å; N136-N138 PolarHBondContact O-N 2.88Å; N136-N138 WeakPolarHBondContact OD1-CA 3.3Å; N136-N138 VanDerWaalsContact OD1-CB 3.29Å; N136-N138 WeakPolarHBondContact OD1-CB 3.05Å; N136-N138 PolarHBondContact OD1-N 3.4Å; N138-T140 PolarHBondContact O-N 2.8Å
139	D	92.5	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-70.9	-15.5	173.8	-67.3	-37.2	0	0	0	113.2	I118 R121 L132 I135 N136 R137 Y143 L205 V207	I118-D139 WeakPolarHBondContact CG1-OD1 3.35Å; R121-D139 IonicContact CZ-OD1 3.15Å; R121-D139 IonicContact CZ-OD2 3.9Å; R121-D139 IonicContact NH1-OD1 2.92Å; R121-D139 IonicContact NH1-OD2 3.7Å; R121-D139 PolarHBondContact NH1-OD2 2.75Å; R121-D139 IonicContact NH2-OD1 3.14Å; R121-D139 PolarHBondContact NH2-OD1 2.81Å; R121-D139 IonicContact NH2-OD2 2.87Å; R121-D139 PolarHBondContact NH2-OD2 2.9Å; L132-D139 HydrophobicContact CD2-CB 4.24Å; I135-D139 WeakPolarHBondContact CA-OD2 3.47Å; I135-D139 HydrophobicContact CG2-CB 4.37Å; N136-D139 PolarHBondContact N-OD2 2.87Å; N136-D139 WeakPolarHBondContact O-CB 3.42Å; N136-D139 PolarHBondContact O-N 2.88Å; N136-D139 PolarHBondContact OD1-N 2.83Å; R137-D139 PolarHBondContact O-N 2.89Å; D139-Y143 VanDerWaalsContact O-CE2 3.31Å; D139-Y143 WeakPolarHBondContact O-CE2 3.45Å; D139-Y143 PolarHBondContact O-OH 3.47Å; D139-L205 HydrophobicContact CB-CD2 4.05Å; D139-V207 HydrophobicContact CB-CG2 4.34Å
140	T	91.8	Very high	91.8	Very high	39 Å²	39	32.9 Å²	32.9	24%	0.239	16%	0.164	C	C	.	.			trans	-53	135.7	175.8	-57.5	0	0	0	0	111.9	R137 N138 W204 L205 V207	R137-T140 WeakPolarHBondContact O-CB 3.29Å; R137-T140 PolarHBondContact O-N 2.87Å; R137-T140 PolarHBondContact O-OG1 2.79Å; N138-T140 PolarHBondContact O-N 2.8Å; T140-W204 HydrophobicContact CG2-CZ2 4.08Å; T140-L205 WeakPolarHBondContact CA-O 3.28Å; T140-L205 WeakPolarHBondContact CG2-O 3.44Å; T140-V207 WeakPolarHBondContact OG1-CB 3Å; T140-V207 PolarHBondContact OG1-N 3.46Å
141	G	92.4	Very high	90.6	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.6	-172.7	179.8	0	0	0	0	0	114.1	N108 L205	N108-G141 WeakPolarHBondContact OD1-CA 3.32Å; G141-L205 PolarHBondContact N-O 3.38Å; G141-L205 VanDerWaalsContact N-O 3.13Å; G141-L205 PolarHBondContact O-N 3.33Å
142	I	94.5	Very high	89	Confident	59 Å²	59	35.4 Å²	35.4	30%	0.303	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125	177.4	-168.5	168.2	0	0	0	111	K107 N108 W204	K107-I142 CarbonylContact C-O 3.31Å; K107-I142 WeakPolarHBondContact CA-O 3.4Å; N108-I142 PolarHBondContact N-O 2.8Å; N108-I142 PolarHBondContact OD1-N 3.17Å; I142-W204 HydrophobicContact CB-CE3 3.81Å; I142-W204 HydrophobicContact CB-CZ3 4Å
143	Y	96	Very high	87	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.6	176.3	-70.3	-100.5	0	0	0	109.2	F90 L106 K107 I112 I118 L130 D139 S202 A203 L205	F90-Y143 HydrophobicContact CD2-CG 4.47Å; F90-Y143 HydrophobicContact CE2-CD1 4.41Å; F90-Y143 HydrophobicContact CE2-CD2 4.05Å; F90-Y143 AromaticContact CE2-CG 3.95Å; F90-Y143 HydrophobicContact CE2-CG 3.95Å; F90-Y143 HydrophobicContact CZ-CD2 4.23Å; F90-Y143 HydrophobicContact CZ-CG 4.43Å; L106-Y143 CarbonylContact O-C 3.52Å; L106-Y143 VanDerWaalsContact O-CA 3.29Å; L106-Y143 WeakPolarHBondContact O-CA 3.48Å; K107-Y143 HydrophobicContact CB-CD1 4.42Å; K107-Y143 HydrophobicContact CB-CE1 4.14Å; K107-Y143 HydrophobicContact CD-CE1 4.33Å; K107-Y143 HydrophobicContact CG-CE1 4.22Å; K107-Y143 HydrophobicContact CG-CE2 4.38Å; I112-Y143 HydrophobicContact CD1-CE1 4.26Å; I118-Y143 WeakPolarHBondContact CD1-OH 3.21Å; L130-Y143 HydrophobicContact CD2-CD1 3.7Å; L130-Y143 HydrophobicContact CD2-CE1 4.23Å; D139-Y143 VanDerWaalsContact O-CE2 3.31Å; D139-Y143 WeakPolarHBondContact O-CE2 3.45Å; D139-Y143 PolarHBondContact O-OH 3.47Å; Y143-S202 CarbonylContact O-C 2.59Å; Y143-S202 WeakPolarHBondContact O-CA 3.36Å; Y143-A203 PolarHBondContact N-O 3.47Å; Y143-A203 PolarHBondContact O-N 2.87Å; Y143-L205 HydrophobicContact CD2-CB 3.83Å; Y143-L205 HydrophobicContact CE2-CB 3.56Å; Y143-L205 HydrophobicContact CE2-CD2 3.83Å; Y143-L205 HydrophobicContact CE2-CG 4.34Å
144	T	95.9	Very high	84.7	Confident	13 Å²	13	41.8 Å²	41.8	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	179.7	-58.7	0	0	0	0	110.4	W105 L106 Q146 S202	W105-T144 WeakPolarHBondContact CA-O 3.07Å; L106-T144 PolarHBondContact N-O 2.89Å; L106-T144 PolarHBondContact O-N 3.38Å; T144-Q146 HydrophobicContact CG2-CG 4.11Å; T144-S202 PolarHBondContact OG1-OG 3.45Å
145	C	95.4	Very high	82.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.7	164	-170.9	0	0	0	0	109.3	C92 K104 W105 E200 A201	C92-C145 HydrophobicContact CB-CB 3.73Å; C92-C145 WeakPolarHBondContact CB-SG 3.27Å; C92-C145 WeakPolarHBondContact SG-CB 3.11Å; C92-C145 CovalentContact SG-SG 2.03Å; C92-C145 PolarHBondContact SG-SG 3.33Å; K104-C145 WeakPolarHBondContact O-CA 3.31Å; W105-C145 HydrophobicContact CD2-CB 4.1Å; W105-C145 HydrophobicContact CE3-CB 4.13Å; W105-C145 HydrophobicContact CH2-CB 3.62Å; W105-C145 HydrophobicContact CZ2-CB 3.59Å; W105-C145 HydrophobicContact CZ3-CB 3.89Å; C145-E200 WeakPolarHBondContact O-CA 3.36Å; C145-A201 PolarHBondContact N-O 3.32Å; C145-A201 PolarHBondContact O-N 2.91Å
146	Q	93.3	Very high	80.3	Confident	38 Å²	38	47.7 Å²	47.7	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.5	169	-49.3	-178.1	-56.5	0	0	107.7	K104 L106 T144 E200	K104-Q146 HydrophobicContact CB-CB 4.32Å; K104-Q146 PolarHBondContact N-O 3.02Å; K104-Q146 PolarHBondContact O-N 3.38Å; L106-Q146 HydrophobicContact CD1-CG 4.43Å; T144-Q146 HydrophobicContact CG2-CG 4.11Å; Q146-E200 HydrophobicContact CB-CG 4.07Å; Q146-E200 HydrophobicContact CG-CG 3.89Å; Q146-E200 PolarHBondContact NE2-OE1 2.77Å; Q146-E200 PolarHBondContact NE2-OE2 3.47Å
147	V	90.2	Very high	77.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.6	-179	-167	0	0	0	0	108.7	F72 C92 I94 I100 Y103 N198 L199	F72-V147 HydrophobicContact CE1-CG2 3.77Å; F72-V147 HydrophobicContact CZ-CG2 4.35Å; C92-V147 VanDerWaalsContact SG-CG2 3.56Å; I94-V147 HydrophobicContact CD1-CG1 3.73Å; I94-V147 HydrophobicContact CG1-CG1 4.12Å; I94-V147 HydrophobicContact CG2-CB 4.41Å; I94-V147 HydrophobicContact CG2-CG1 4.38Å; I94-V147 HydrophobicContact CG2-CG2 4.25Å; I100-V147 HydrophobicContact CG2-CG1 3.84Å; Y103-V147 HydrophobicContact CD1-CB 4.3Å; Y103-V147 HydrophobicContact CD1-CG1 3.88Å; Y103-V147 HydrophobicContact CD1-CG2 3.72Å; Y103-V147 HydrophobicContact CE1-CB 4.34Å; Y103-V147 HydrophobicContact CE1-CG1 3.66Å; Y103-V147 HydrophobicContact CE1-CG2 3.76Å; V147-N198 CarbonylContact O-C 3.58Å; V147-N198 VanDerWaalsContact O-CA 3.32Å; V147-N198 WeakPolarHBondContact O-CA 3.36Å; V147-L199 PolarHBondContact N-O 3.32Å; V147-L199 PolarHBondContact O-N 3.24Å
148	I	88.1	Confident	75.4	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.308	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129	177.8	-50.2	-176.1	0	0	0	108.1	L101 S102 Q197	L101-I148 WeakPolarHBondContact CA-O 3.43Å; L101-I148 HydrophobicContact CB-CG2 4.33Å; L101-I148 WeakPolarHBondContact CB-O 3.26Å; L101-I148 HydrophobicContact CD1-CG2 4.27Å; L101-I148 PolarHBondContact N-O 2.96Å; S102-I148 PolarHBondContact N-O 3.21Å; S102-I148 PolarHBondContact O-N 3.44Å; I148-Q197 WeakPolarHBondContact CA-O 3.32Å
149	F	86.1	Confident	72.8	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.8	-177.1	64.7	-88.9	0	0	0	112	I70 I94 V98 N99 Q197 L199	I70-F149 HydrophobicContact CD1-CD2 4.12Å; I70-F149 HydrophobicContact CD1-CE2 3.3Å; I70-F149 HydrophobicContact CD1-CZ 3.82Å; I70-F149 HydrophobicContact CG2-CE1 4.44Å; I70-F149 HydrophobicContact CG2-CE2 4.41Å; I70-F149 HydrophobicContact CG2-CZ 4.03Å; I94-F149 HydrophobicContact CD1-CB 4.09Å; I94-F149 HydrophobicContact CD1-CD1 3.69Å; I94-F149 HydrophobicContact CD1-CE1 4.36Å; I94-F149 HydrophobicContact CD1-CG 3.93Å; V98-F149 HydrophobicContact CB-CB 4.36Å; V98-F149 HydrophobicContact CB-CD2 3.87Å; V98-F149 HydrophobicContact CB-CG 4.4Å; V98-F149 HydrophobicContact CG1-CD2 3.91Å; V98-F149 HydrophobicContact CG1-CE2 4.27Å; V98-F149 HydrophobicContact CG2-CB 4.04Å; V98-F149 HydrophobicContact CG2-CD2 3.88Å; V98-F149 HydrophobicContact CG2-CG 4.03Å; N99-F149 CarbonylContact O-C 3.54Å; N99-F149 VanDerWaalsContact O-CA 3.23Å; N99-F149 WeakPolarHBondContact O-CA 3.31Å; N99-F149 WeakPolarHBondContact O-CB 3.17Å; F149-Q197 HydrophobicContact CD1-CB 4.43Å; F149-Q197 WeakPolarHBondContact CD1-O 3.05Å; F149-Q197 HydrophobicContact CD2-CB 4.15Å; F149-Q197 HydrophobicContact CE1-CB 3.82Å; F149-Q197 HydrophobicContact CE2-CB 3.49Å; F149-Q197 VanDerWaalsContact CE2-CB 3.49Å; F149-Q197 HydrophobicContact CE2-CG 4.02Å; F149-Q197 HydrophobicContact CZ-CB 3.31Å; F149-Q197 HydrophobicContact CZ-CG 4.17Å; F149-Q197 PolarHBondContact N-O 3.48Å; F149-Q197 PolarHBondContact O-N 2.93Å; F149-L199 HydrophobicContact CE1-CB 4.09Å; F149-L199 HydrophobicContact CE1-CD1 3.78Å; F149-L199 HydrophobicContact CE1-CG 4.48Å; F149-L199 HydrophobicContact CZ-CD1 3.95Å
150	S	79.4	Confident	70.4	Confident	14 Å²	14	66.5 Å²	66.5	10%	0.098	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.4	167.3	60.4	0	0	0	0	111.4	V98 N99	V98-S150 WeakPolarHBondContact CB-O 2.99Å; N99-S150 PolarHBondContact N-O 3.22Å; N99-S150 PolarHBondContact O-N 3.24Å
151	Y	69.8	Low	68.2	Low	84 Å²	84	68 Å²	68	33%	0.329	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	146	178.8	-70.2	-87.7	0	0	0	111.5	I70 V98 Q197	I70-Y151 HydrophobicContact CD1-CD1 4.08Å; I70-Y151 HydrophobicContact CD1-CE1 3.42Å; I70-Y151 VanDerWaalsContact CD1-CE1 3.42Å; I70-Y151 HydrophobicContact CG1-CE1 4.41Å; V98-Y151 HydrophobicContact CG1-CD1 4.31Å; Y151-Q197 HydrophobicContact CE2-CG 3.78Å
152	S	60.7	Low	65.4	Low	34 Å²	34	75 Å²	75	24%	0.238	37%	0.368	C	S	.	.			trans	-75.9	132.8	178.1	50.8	0	0	0	0	111.3	R97 S154 Q155	R97-S152 PolarHBondContact O-OG 2.77Å; S152-S154 PolarHBondContact O-N 3.43Å; S152-S154 PolarHBondContact OG-OG 3.32Å; S152-Q155 PolarHBondContact O-N 2.95Å; S152-Q155 VanDerWaalsContact O-N 3.13Å
153	N	52.6	Low	62.8	Low	81 Å²	81	77 Å²	77	43%	0.433	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-56.2	-16	-174.4	-84.4	-8.7	0	0	0	115.1	Q155 Y156 N157	N153-Q155 PolarHBondContact O-N 2.83Å; N153-Y156 PolarHBondContact O-N 2.85Å; N153-N157 PolarHBondContact O-N 2.92Å; N153-N157 PolarHBondContact O-OD1 2.88Å
154	S	46.8	Very low	59.9	Low	94 Å²	94	82.5 Å²	82.5	66%	0.657	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-58.6	-14.3	172.6	45.4	0	0	0	0	114.9	S152	S152-S154 PolarHBondContact O-N 3.43Å; S152-S154 PolarHBondContact OG-OG 3.32Å
155	Q	47.2	Very low	56.9	Low	117 Å²	117	91 Å²	91	55%	0.547	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-96.6	-8.4	172.6	-62.2	-162.6	-102.8	0	0	114.6	S152 N153	S152-Q155 PolarHBondContact O-N 2.95Å; S152-Q155 VanDerWaalsContact O-N 3.13Å; N153-Q155 PolarHBondContact O-N 2.83Å
156	Y	44	Very low	54.1	Low	148 Å²	148	97.2 Å²	97.2	58%	0.58	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	11.3	-171.9	-80.3	-84.4	0	0	0	115.1	N153 Y158 M159	N153-Y156 PolarHBondContact O-N 2.85Å; Y156-Y158 PolarHBondContact O-N 3.32Å; Y156-M159 PolarHBondContact O-N 2.89Å
157	N	36.6	Very low	51.5	Low	96 Å²	96	98.7 Å²	98.7	51%	0.513	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	14.3	176.8	-82.5	-18.5	0	0	0	115.7	N153	N153-N157 PolarHBondContact O-N 2.92Å; N153-N157 PolarHBondContact O-OD1 2.88Å
158	Y	40.7	Very low	49.1	Very low	228 Å²	228	106 Å²	106	89%	0.894	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.6	166.4	-71	-71.8	0	0	0	113.7	Y156	Y156-Y158 PolarHBondContact O-N 3.32Å
159	M	35.6	Very low	46.9	Very low	138 Å²	138	109 Å²	109	68%	0.68	56%	0.56	S	S	*	*	S	Bend	trans	-120.2	-3.7	-178.6	-69.5	-179.3	67.6	0	0	114.9	Y156	Y156-M159 PolarHBondContact O-N 2.89Å
160	K	42.2	Very low	44.8	Very low	149 Å²	149	116 Å²	116	65%	0.648	60%	0.598	S	S	*	*	S	Bend	trans	-68.5	127.1	167.3	-165.6	178.9	-174.2	-174.1	0	108.1	L162	K160-L162 PolarHBondContact O-N 3.2Å
161	P	45	Very low	43.1	Very low	70 Å²	70	121.4 Å²	121.4	46%	0.455	62%	0.621	S	S	.	*			trans	-59.3	128.2	173.9	-20.6	32	0	0	0	109.6	A163	P161-A163 VanDerWaalsContact C-N 3.35Å; P161-A163 PolarHBondContact O-N 2.93Å; P161-A163 VanDerWaalsContact O-N 3.13Å
162	L	34.4	Very low	42.2	Very low	150 Å²	150	129.5 Å²	129.5	79%	0.785	65%	0.651	S	S	*	*			trans	-67.3	105.8	150.4	-88.7	75	0	0	0	105.3	K160 T164	K160-L162 PolarHBondContact O-N 3.2Å; L162-T164 HydrophobicContact CB-CG2 4.32Å; L162-T164 PolarHBondContact O-N 3.4Å
163	A	39.7	Very low	41.5	Very low	100 Å²	100	135.7 Å²	135.7	83%	0.826	68%	0.676	S	S	*	*			trans	-67	93.9	157.1	0	0	0	0	0	105.8	P161	P161-A163 VanDerWaalsContact C-N 3.35Å; P161-A163 PolarHBondContact O-N 2.93Å; P161-A163 VanDerWaalsContact O-N 3.13Å
164	T	33.5	Very low	41.3	Very low	116 Å²	116	136.4 Å²	136.4	71%	0.712	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.1	156.3	-179.6	44	0	0	0	0	111	L162 E166	L162-T164 HydrophobicContact CB-CG2 4.32Å; L162-T164 PolarHBondContact O-N 3.4Å; T164-E166 PolarHBondContact O-N 3.46Å
165	E	34.5	Very low	41.5	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.2	-169.6	-65.1	143.9	142.1	0	0	113.6
166	E	36.5	Very low	41.7	Very low	131 Å²	131	142.6 Å²	142.6	61%	0.612	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-100.9	136.4	151.8	-90	-154.7	118.4	0	0	108.6	T164 Q171	T164-E166 PolarHBondContact O-N 3.46Å; E166-Q171 PolarHBondContact OE1-NE2 3.04Å
167	N	37.1	Very low	42.3	Very low	70 Å²	70	139.6 Å²	139.6	37%	0.374	69%	0.693	S	S	.	*			cis	-160.9	133.9	-15.2	-151.3	-28.7	0	0	0	110	N169 N170	N167-N169 VanDerWaalsContact OD1-CA 3.28Å; N167-N169 WeakPolarHBondContact OD1-CA 3.04Å; N167-N170 PolarHBondContact ND2-O 3.43Å; N167-N170 PolarHBondContact OD1-N 2.69Å
168	D	41.6	Very low	43.1	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	69%	0.694	S	S	*	*	S	Bend	trans	-161.6	70.7	168.9	-146.5	8.9	0	0	0	109.2
169	N	41.5	Very low	43.8	Very low	124 Å²	124	135 Å²	135	66%	0.663	69%	0.685	S	S	*	*	S	Bend	cis	-149.6	142.4	13.6	-75.8	-99.4	0	0	0	111.7	N167	N167-N169 VanDerWaalsContact OD1-CA 3.28Å; N167-N169 WeakPolarHBondContact OD1-CA 3.04Å
170	N	41.4	Very low	44.7	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	68%	0.681	S	S	*	*				172.4	135.9	122.9	-93.5	-64.9	0	0	0	111	N167	N167-N170 PolarHBondContact ND2-O 3.43Å; N167-N170 PolarHBondContact OD1-N 2.69Å
171	Q	43.9	Very low	45.3	Very low	127 Å²	127	132.9 Å²	132.9	59%	0.593	67%	0.673	S	S	*	*			trans	-129.6	84.4	-166	-162	166.4	43.3	0	0	112.9	E166 I174	E166-Q171 PolarHBondContact OE1-NE2 3.04Å; Q171-I174 HydrophobicContact CG-CD1 3.85Å
172	R	50.6	Low	46	Very low	255 Å²	255	139 Å²	139	96%	0.962	69%	0.687	S	S	*	*			trans	-146.8	20.5	-178.9	-81.3	-160.3	174.9	-166.2	-0.9	116.2
173	Q	46.9	Very low	47.4	Very low	163 Å²	163	136.8 Å²	136.8	76%	0.762	68%	0.676	S	S	*	*			trans	-122	12.1	-169.7	-149.7	167.2	5.6	0	0	115	I177	Q173-I177 VanDerWaalsContact O-CD1 3.25Å; Q173-I177 WeakPolarHBondContact O-CD1 3.44Å; Q173-I177 WeakPolarHBondContact O-CG1 3.43Å
174	I	46.8	Very low	48.4	Very low	96 Å²	96	136.7 Å²	136.7	49%	0.492	65%	0.654	S	S	.	*			trans	-75.7	-44.2	-157.3	-69.3	171.8	0	0	0	114.8	Q171 F176 I177	Q171-I174 HydrophobicContact CG-CD1 3.85Å; I174-F176 PolarHBondContact O-N 3.01Å; I174-I177 WeakPolarHBondContact O-CB 3.25Å; I174-I177 PolarHBondContact O-N 3.42Å
175	D	51.4	Low	49.8	Very low	140 Å²	140	137.3 Å²	137.3	75%	0.749	65%	0.649	S	S	*	*	H	α-helix	trans	-66.6	-43.4	-166.1	-63.4	-47.8	0	0	0	114.1	I177 S178	D175-I177 PolarHBondContact O-N 2.77Å; D175-I177 VanDerWaalsContact O-N 3.08Å; D175-S178 PolarHBondContact O-N 3.17Å; D175-S178 VanDerWaalsContact O-N 3.16Å; D175-S178 PolarHBondContact O-OG 2.84Å
176	F	52.1	Low	51.2	Low	201 Å²	201	135.3 Å²	135.3	88%	0.882	64%	0.639	S	S	*	*	H	α-helix	trans	-65.4	-14.4	-177.3	-139.9	-85	0	0	0	113.4	I174	I174-F176 PolarHBondContact O-N 3.01Å
177	I	55.6	Low	52.4	Low	86 Å²	86	137.1 Å²	137.1	44%	0.441	64%	0.64	S	S	.	*	H	α-helix	trans	-81.4	-30.9	180	-61.4	173.3	0	0	0	110.9	Q173 I174 D175 Y180 L181	Q173-I177 VanDerWaalsContact O-CD1 3.25Å; Q173-I177 WeakPolarHBondContact O-CD1 3.44Å; Q173-I177 WeakPolarHBondContact O-CG1 3.43Å; I174-I177 WeakPolarHBondContact O-CB 3.25Å; I174-I177 PolarHBondContact O-N 3.42Å; D175-I177 PolarHBondContact O-N 2.77Å; D175-I177 VanDerWaalsContact O-N 3.08Å; I177-Y180 PolarHBondContact O-N 3.46Å; I177-L181 HydrophobicContact CG2-CD1 3.84Å; I177-L181 HydrophobicContact CG2-CG 4.2Å; I177-L181 WeakPolarHBondContact O-CG 3.07Å; I177-L181 PolarHBondContact O-N 3.32Å
178	S	53.7	Low	53.4	Low	78 Å²	78	138.9 Å²	138.9	55%	0.545	64%	0.642	S	S	.	*	H	α-helix	trans	-63.6	-51.1	-169.3	64.4	0	0	0	0	114.2	D175 L181	D175-S178 PolarHBondContact O-N 3.17Å; D175-S178 VanDerWaalsContact O-N 3.16Å; D175-S178 PolarHBondContact O-OG 2.84Å; S178-L181 PolarHBondContact O-N 3.4Å
179	E	56.1	Low	54.3	Low	149 Å²	149	135.5 Å²	135.5	70%	0.696	62%	0.624	S	S	*	*	H	α-helix	trans	-71.8	-32.8	-178.7	-173.2	169.4	-162	0	0	112.4	L181 R182 N183	E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 3.21Å; E179-R182 PolarHBondContact O-N 2.91Å; E179-N183 PolarHBondContact O-N 3.26Å
180	Y	54.9	Low	55.4	Low	151 Å²	151	135.1 Å²	135.1	59%	0.592	62%	0.618	S	S	*	*	H	α-helix	trans	-63.2	-36	175.3	178.2	-106.7	0	0	0	112.5	I177 R184	I177-Y180 PolarHBondContact O-N 3.46Å; Y180-R184 PolarHBondContact OH-NH1 3.01Å
181	L	55.4	Low	56.2	Low	92 Å²	92	132.2 Å²	132.2	48%	0.482	60%	0.6	S	S	.	*	H	α-helix	trans	-66.8	-43.7	175.9	-72.4	168.7	0	0	0	112.2	I177 S178 E179 N183 R184 E185	I177-L181 HydrophobicContact CG2-CD1 3.84Å; I177-L181 HydrophobicContact CG2-CG 4.2Å; I177-L181 WeakPolarHBondContact O-CG 3.07Å; I177-L181 PolarHBondContact O-N 3.32Å; S178-L181 PolarHBondContact O-N 3.4Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 3.21Å; L181-N183 PolarHBondContact O-N 3.16Å; L181-R184 VanDerWaalsContact O-CB 3.31Å; L181-R184 WeakPolarHBondContact O-CB 3.44Å; L181-R184 PolarHBondContact O-N 3.13Å; L181-R184 VanDerWaalsContact O-N 3.11Å; L181-E185 PolarHBondContact O-N 3.26Å
182	R	59.4	Low	56.9	Low	198 Å²	198	129.3 Å²	129.3	75%	0.747	59%	0.588	S	S	*	*	H	α-helix	trans	-67.2	-41.7	-172.2	-140.9	179.4	-164.5	-174.7	5.7	113.3	E179 R184 E185 H186	E179-R182 PolarHBondContact O-N 2.91Å; R182-R184 PolarHBondContact O-N 3.48Å; R182-E185 PolarHBondContact O-N 2.71Å; R182-H186 PolarHBondContact O-N 3.22Å
183	N	64.1	Low	57.5	Low	104 Å²	104	122.6 Å²	122.6	56%	0.556	57%	0.568	S	S	*	*	H	α-helix	trans	-67.2	-20.8	174.8	-82.1	-55.1	0	0	0	113.3	E179 L181	E179-N183 PolarHBondContact O-N 3.26Å; L181-N183 PolarHBondContact O-N 3.16Å
184	R	59.3	Low	58.1	Low	98 Å²	98	121.5 Å²	121.5	37%	0.37	56%	0.561	S	S	.	*	H	α-helix	trans	-80.6	-34.5	177.6	-161	170.1	179.7	156.7	-3.3	111.8	Y180 L181 R182 Y188	Y180-R184 PolarHBondContact OH-NH1 3.01Å; L181-R184 VanDerWaalsContact O-CB 3.31Å; L181-R184 WeakPolarHBondContact O-CB 3.44Å; L181-R184 PolarHBondContact O-N 3.13Å; L181-R184 VanDerWaalsContact O-N 3.11Å; R182-R184 PolarHBondContact O-N 3.48Å; R184-Y188 WeakPolarHBondContact O-CB 3.09Å; R184-Y188 PolarHBondContact O-N 3.24Å; R184-Y188 VanDerWaalsContact O-N 3.07Å
185	E	64.4	Low	58.6	Low	129 Å²	129	119.2 Å²	119.2	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-68.2	-42.2	178.7	-171.3	170.1	-136.2	0	0	112.9	L181 R182 R187 Y188 N189	L181-E185 PolarHBondContact O-N 3.26Å; R182-E185 PolarHBondContact O-N 2.71Å; E185-R187 PolarHBondContact O-N 2.66Å; E185-Y188 WeakPolarHBondContact O-CB 3.46Å; E185-Y188 PolarHBondContact O-N 2.85Å; E185-N189 PolarHBondContact O-N 3.46Å; E185-N189 PolarHBondContact O-ND2 3.47Å
186	H	62.2	Low	59.4	Low	149 Å²	149	116.4 Å²	116.4	69%	0.69	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-40.5	176.6	-123.1	-70.1	0	0	0	112.5	R182 N189 E190	R182-H186 PolarHBondContact O-N 3.22Å; H186-N189 PolarHBondContact O-N 3.1Å; H186-E190 PolarHBondContact O-N 2.69Å
187	R	62.1	Low	60.5	Low	169 Å²	169	110.8 Å²	110.8	64%	0.638	51%	0.506	S	S	*	.	H	α-helix	trans	-66.9	-38.8	177.7	-162.3	177.2	-58.2	-169.8	1.4	111.9	E185 N189 E190 E191	E185-R187 PolarHBondContact O-N 2.66Å; R187-N189 VanDerWaalsContact C-N 3.31Å; R187-N189 PolarHBondContact O-N 2.96Å; R187-E190 PolarHBondContact O-N 2.74Å; R187-E191 PolarHBondContact O-N 2.85Å; R187-E191 VanDerWaalsContact O-N 3.08Å
188	Y	58	Low	61.8	Low	107 Å²	107	111.4 Å²	111.4	42%	0.42	51%	0.51	S	S	.	.	H	α-helix	trans	-60	-37.6	174	179.1	-98.5	0	0	0	112.5	R184 E185 E191 L192	R184-Y188 WeakPolarHBondContact O-CB 3.09Å; R184-Y188 PolarHBondContact O-N 3.24Å; R184-Y188 VanDerWaalsContact O-N 3.07Å; E185-Y188 WeakPolarHBondContact O-CB 3.46Å; E185-Y188 PolarHBondContact O-N 2.85Å; Y188-E191 PolarHBondContact O-N 2.96Å; Y188-L192 WeakPolarHBondContact O-CB 3.37Å; Y188-L192 PolarHBondContact O-N 3.45Å
189	N	60.3	Low	63.4	Low	82 Å²	82	109.6 Å²	109.6	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-71.1	-35.3	177.8	-71.8	-30	0	0	0	113.5	E185 H186 R187 L192 E193	E185-N189 PolarHBondContact O-N 3.46Å; E185-N189 PolarHBondContact O-ND2 3.47Å; H186-N189 PolarHBondContact O-N 3.1Å; R187-N189 VanDerWaalsContact C-N 3.31Å; R187-N189 PolarHBondContact O-N 2.96Å; N189-L192 WeakPolarHBondContact O-CB 3.39Å; N189-L192 PolarHBondContact O-N 2.89Å; N189-E193 PolarHBondContact O-N 3.4Å
190	E	64.5	Low	65.1	Low	115 Å²	115	107 Å²	107	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-41	169.6	-79.7	-164.8	-163.6	0	0	112.3	H186 R187 L192 E193 K194	H186-E190 PolarHBondContact O-N 2.69Å; R187-E190 PolarHBondContact O-N 2.74Å; E190-L192 PolarHBondContact O-N 2.88Å; E190-E193 PolarHBondContact O-N 2.98Å; E190-K194 WeakPolarHBondContact O-CD 3.32Å; E190-K194 VanDerWaalsContact O-CG 3.3Å; E190-K194 WeakPolarHBondContact O-CG 3.39Å; E190-K194 PolarHBondContact O-N 3.05Å; E190-K194 IonicContact OE2-NZ 3.05Å; E190-K194 PolarHBondContact OE2-NZ 2.95Å
191	E	58.8	Low	66.9	Low	87 Å²	87	100.6 Å²	100.6	41%	0.407	46%	0.46	S	S	.	.	H	α-helix	trans	-64.3	-31.5	174.3	-73.4	177.1	-170.6	0	0	111.3	R187 Y188 K194 M195	R187-E191 PolarHBondContact O-N 2.85Å; R187-E191 VanDerWaalsContact O-N 3.08Å; Y188-E191 PolarHBondContact O-N 2.96Å; E191-K194 CarbonylContact O-C 3.51Å; E191-K194 PolarHBondContact O-N 3.09Å; E191-M195 HydrophobicContact CB-CE 4.43Å; E191-M195 VanDerWaalsContact O-CB 3.31Å; E191-M195 WeakPolarHBondContact O-CB 3.36Å; E191-M195 VanDerWaalsContact O-CG 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.44Å; E191-M195 PolarHBondContact O-N 3.02Å
192	L	59.3	Low	68.8	Low	66 Å²	66	99.1 Å²	99.1	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-38.5	175	-167.1	66.6	0	0	0	113.3	Y188 N189 E190 M195 K196	Y188-L192 WeakPolarHBondContact O-CB 3.37Å; Y188-L192 PolarHBondContact O-N 3.45Å; N189-L192 WeakPolarHBondContact O-CB 3.39Å; N189-L192 PolarHBondContact O-N 2.89Å; E190-L192 PolarHBondContact O-N 2.88Å; L192-M195 HydrophobicContact CD1-CE 4.25Å; L192-M195 PolarHBondContact O-N 3.24Å; L192-K196 PolarHBondContact O-N 3.17Å
193	E	61.6	Low	70.5	Confident	115 Å²	115	89.8 Å²	89.8	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-67.4	-43.3	169.9	-73.2	-62.4	148.1	0	0	111.5	N189 E190 M195 K196	N189-E193 PolarHBondContact O-N 3.4Å; E190-E193 PolarHBondContact O-N 2.98Å; E193-M195 PolarHBondContact O-N 3.01Å; E193-K196 WeakPolarHBondContact O-CB 3.39Å; E193-K196 PolarHBondContact O-N 2.91Å; E193-K196 WeakPolarHBondContact OE1-CE 3.47Å; E193-K196 IonicContact OE1-NZ 2.81Å; E193-K196 PolarHBondContact OE1-NZ 3.24Å; E193-K196 WeakPolarHBondContact OE2-CD 3.33Å; E193-K196 WeakPolarHBondContact OE2-CE 3.5Å; E193-K196 IonicContact OE2-NZ 3.26Å; E193-K196 PolarHBondContact OE2-NZ 3.1Å
194	K	60.7	Low	72	Confident	140 Å²	140	90.2 Å²	90.2	61%	0.609	42%	0.417	S	S	*	.	H	α-helix	trans	-63.5	-23	174.7	-67.1	158.2	-176.3	158.3	0	112.7	E190 E191	E190-K194 WeakPolarHBondContact O-CD 3.32Å; E190-K194 VanDerWaalsContact O-CG 3.3Å; E190-K194 WeakPolarHBondContact O-CG 3.39Å; E190-K194 PolarHBondContact O-N 3.05Å; E190-K194 IonicContact OE2-NZ 3.05Å; E190-K194 PolarHBondContact OE2-NZ 2.95Å; E191-K194 CarbonylContact O-C 3.51Å; E191-K194 PolarHBondContact O-N 3.09Å
195	M	57.6	Low	73.7	Confident	48 Å²	48	85.5 Å²	85.5	24%	0.236	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5	174	-79.8	-170.6	-74.5	0	0	114.5	E191 L192 E193	E191-M195 HydrophobicContact CB-CE 4.43Å; E191-M195 VanDerWaalsContact O-CB 3.31Å; E191-M195 WeakPolarHBondContact O-CB 3.36Å; E191-M195 VanDerWaalsContact O-CG 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.44Å; E191-M195 PolarHBondContact O-N 3.02Å; L192-M195 HydrophobicContact CD1-CE 4.25Å; L192-M195 PolarHBondContact O-N 3.24Å; E193-M195 PolarHBondContact O-N 3.01Å
196	K	66.6	Low	75.1	Confident	80 Å²	80	81.3 Å²	81.3	35%	0.348	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.5	168.3	-68.1	-175.5	-173.7	161.5	0	110.2	L101 L192 E193	L101-K196 HydrophobicContact CD1-CD 4.17Å; L101-K196 HydrophobicContact CD1-CG 3.92Å; L192-K196 PolarHBondContact O-N 3.17Å; E193-K196 WeakPolarHBondContact O-CB 3.39Å; E193-K196 PolarHBondContact O-N 2.91Å; E193-K196 WeakPolarHBondContact OE1-CE 3.47Å; E193-K196 IonicContact OE1-NZ 2.81Å; E193-K196 PolarHBondContact OE1-NZ 3.24Å; E193-K196 WeakPolarHBondContact OE2-CD 3.33Å; E193-K196 WeakPolarHBondContact OE2-CE 3.5Å; E193-K196 IonicContact OE2-NZ 3.26Å; E193-K196 PolarHBondContact OE2-NZ 3.1Å
197	Q	76.3	Confident	76.6	Confident	84 Å²	84	74.2 Å²	74.2	39%	0.393	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145	176.9	-64.1	-71.8	-79.4	0	0	109.2	I148 F149 Y151	I148-Q197 WeakPolarHBondContact CA-O 3.32Å; F149-Q197 HydrophobicContact CD1-CB 4.43Å; F149-Q197 WeakPolarHBondContact CD1-O 3.05Å; F149-Q197 HydrophobicContact CD2-CB 4.15Å; F149-Q197 HydrophobicContact CE1-CB 3.82Å; F149-Q197 HydrophobicContact CE2-CB 3.49Å; F149-Q197 VanDerWaalsContact CE2-CB 3.49Å; F149-Q197 HydrophobicContact CE2-CG 4.02Å; F149-Q197 HydrophobicContact CZ-CB 3.31Å; F149-Q197 HydrophobicContact CZ-CG 4.17Å; F149-Q197 PolarHBondContact N-O 3.48Å; F149-Q197 PolarHBondContact O-N 2.93Å; Y151-Q197 HydrophobicContact CE2-CG 3.78Å
198	N	82.7	Confident	78	Confident	98 Å²	98	68.2 Å²	68.2	52%	0.524	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137	169.8	59.2	-38.4	0	0	0	111	V147 E200	V147-N198 CarbonylContact O-C 3.58Å; V147-N198 VanDerWaalsContact O-CA 3.32Å; V147-N198 WeakPolarHBondContact O-CA 3.36Å; N198-E200 PolarHBondContact ND2-OE1 3.29Å
199	L	86.8	Confident	79.7	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.209	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	163.2	-118.8	76.1	0	0	0	108.8	I70 F72 I94 V147 F149	I70-L199 HydrophobicContact CG2-CD1 4.36Å; I70-L199 HydrophobicContact CG2-CD2 4.13Å; F72-L199 HydrophobicContact CD2-CD2 3.93Å; F72-L199 HydrophobicContact CE2-CB 4.01Å; F72-L199 HydrophobicContact CE2-CD2 3.81Å; F72-L199 HydrophobicContact CE2-CG 4.07Å; F72-L199 HydrophobicContact CZ-CB 3.86Å; F72-L199 HydrophobicContact CZ-CD2 4.31Å; F72-L199 HydrophobicContact CZ-CG 4.43Å; I94-L199 HydrophobicContact CG2-CD2 4.11Å; V147-L199 PolarHBondContact N-O 3.32Å; V147-L199 PolarHBondContact O-N 3.24Å; F149-L199 HydrophobicContact CE1-CB 4.09Å; F149-L199 HydrophobicContact CE1-CD1 3.78Å; F149-L199 HydrophobicContact CE1-CG 4.48Å; F149-L199 HydrophobicContact CZ-CD1 3.95Å
200	E	92.4	Very high	81.2	Confident	94 Å²	94	63.8 Å²	63.8	44%	0.439	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.4	-177.1	-54.9	-166.4	-158.2	0	0	111.7	C145 Q146 N198	C145-E200 WeakPolarHBondContact O-CA 3.36Å; Q146-E200 HydrophobicContact CB-CG 4.07Å; Q146-E200 HydrophobicContact CG-CG 3.89Å; Q146-E200 PolarHBondContact NE2-OE1 2.77Å; Q146-E200 PolarHBondContact NE2-OE2 3.47Å; N198-E200 PolarHBondContact ND2-OE1 3.29Å
201	A	93.1	Very high	82.5	Confident	17 Å²	17	58.5 Å²	58.5	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.3	174.7	0	0	0	0	0	111.1	F72 K75 P76 C145	F72-A201 HydrophobicContact CD2-CB 4.02Å; F72-A201 HydrophobicContact CE1-CB 4.22Å; F72-A201 HydrophobicContact CE2-CB 3.51Å; F72-A201 HydrophobicContact CZ-CB 3.61Å; K75-A201 HydrophobicContact CB-CB 4.38Å; P76-A201 HydrophobicContact CG-CB 3.97Å; P76-A201 WeakPolarHBondContact CG-O 3.34Å; C145-A201 PolarHBondContact N-O 3.32Å; C145-A201 PolarHBondContact O-N 2.91Å
202	S	95.4	Very high	84	Confident	61 Å²	61	57 Å²	57	43%	0.427	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.2	-177.8	-50.7	0	0	0	0	112.7	Y143 T144	Y143-S202 CarbonylContact O-C 2.59Å; Y143-S202 WeakPolarHBondContact O-CA 3.36Å; T144-S202 PolarHBondContact OG1-OG 3.45Å
203	A	95.4	Very high	85.4	Confident	2 Å²	2	54.5 Å²	54.5	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.1	168.4	0	0	0	0	0	111	P76 T77 N78 F90 Y143	P76-A203 HydrophobicContact CB-CB 3.78Å; P76-A203 HydrophobicContact CG-CB 4.43Å; T77-A203 VanDerWaalsContact C-CB 3.44Å; T77-A203 VanDerWaalsContact O-CB 3.26Å; T77-A203 WeakPolarHBondContact O-CB 2.96Å; N78-A203 WeakPolarHBondContact OD1-CA 3.23Å; F90-A203 HydrophobicContact CD1-CB 3.96Å; F90-A203 HydrophobicContact CE1-CB 3.77Å; Y143-A203 PolarHBondContact N-O 3.47Å; Y143-A203 PolarHBondContact O-N 2.87Å
204	W	94.7	Very high	86.2	Confident	113 Å²	113	53.4 Å²	53.4	43%	0.428	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.2	174.6	-168.7	-89.9	0	0	0	111.4	N78 I79 T140 I142	N78-W204 CarbonylContact C-O 3.55Å; N78-W204 WeakPolarHBondContact CA-O 3.31Å; N78-W204 PolarHBondContact OD1-N 3Å; I79-W204 PolarHBondContact N-O 3.4Å; T140-W204 HydrophobicContact CG2-CZ2 4.08Å; I142-W204 HydrophobicContact CB-CE3 3.81Å; I142-W204 HydrophobicContact CB-CZ3 4Å
205	L	94.8	Very high	86.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.8	164.2	-175	52	0	0	0	109.1	I79 V81 V88 F90 L132 D139 T140 G141 Y143 V207	I79-L205 HydrophobicContact CB-CD1 4.2Å; I79-L205 HydrophobicContact CG2-CD1 3.92Å; V81-L205 HydrophobicContact CG2-CD1 4Å; V88-L205 HydrophobicContact CG1-CD1 4.18Å; V88-L205 HydrophobicContact CG2-CD1 4.09Å; F90-L205 HydrophobicContact CE2-CB 4.49Å; F90-L205 HydrophobicContact CZ-CB 3.96Å; F90-L205 HydrophobicContact CZ-CD1 4.32Å; L132-L205 HydrophobicContact CD2-CD2 4.25Å; D139-L205 HydrophobicContact CB-CD2 4.05Å; T140-L205 WeakPolarHBondContact CA-O 3.28Å; T140-L205 WeakPolarHBondContact CG2-O 3.44Å; G141-L205 PolarHBondContact N-O 3.38Å; G141-L205 VanDerWaalsContact N-O 3.13Å; G141-L205 PolarHBondContact O-N 3.33Å; Y143-L205 HydrophobicContact CD2-CB 3.83Å; Y143-L205 HydrophobicContact CE2-CB 3.56Å; Y143-L205 HydrophobicContact CE2-CD2 3.83Å; Y143-L205 HydrophobicContact CE2-CG 4.34Å; L205-V207 HydrophobicContact CD2-CG2 4.32Å; L205-V207 HydrophobicContact CG-CG2 4.03Å
206	N	93.5	Very high	86.8	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.9	175.2	-172.9	33.4	0	0	0	109.5	I79 T80 V81 T239	I79-N206 PolarHBondContact O-N 3.07Å; T80-N206 WeakPolarHBondContact CA-O 3.48Å; T80-N206 HydrophobicContact CG2-CB 4.25Å; V81-N206 PolarHBondContact N-O 2.84Å; N206-T239 VanDerWaalsContact OD1-CG2 3.29Å; N206-T239 WeakPolarHBondContact OD1-CG2 3.44Å
207	V	93.2	Very high	86.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.6	178	-172.1	0	0	0	0	109.6	V81 E83 I135 D139 T140 L205 Y209 T239	V81-V207 HydrophobicContact CG2-CG2 4.48Å; V81-V207 CarbonylContact O-C 3.18Å; V81-V207 WeakPolarHBondContact O-CA 3.24Å; E83-V207 HydrophobicContact CB-CG1 4.09Å; I135-V207 HydrophobicContact CG2-CB 4.48Å; I135-V207 HydrophobicContact CG2-CG1 4Å; I135-V207 HydrophobicContact CG2-CG2 3.6Å; D139-V207 HydrophobicContact CB-CG2 4.34Å; T140-V207 WeakPolarHBondContact OG1-CB 3Å; T140-V207 PolarHBondContact OG1-N 3.46Å; L205-V207 HydrophobicContact CD2-CG2 4.32Å; L205-V207 HydrophobicContact CG-CG2 4.03Å; V207-Y209 WeakPolarHBondContact O-CD1 3.41Å; V207-T239 WeakPolarHBondContact O-CG2 3.08Å
208	Q	93.1	Very high	85.5	Confident	43 Å²	43	52.7 Å²	52.7	20%	0.201	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.2	-177.9	-58.6	-171.8	-37.4	0	0	111	T80 V81 Q82 E83 T239 I318	T80-Q208 HydrophobicContact CG2-CG 3.67Å; V81-Q208 PolarHBondContact O-N 2.91Å; Q82-Q208 CarbonylContact C-O 3.57Å; Q82-Q208 VanDerWaalsContact CA-O 3.28Å; Q82-Q208 WeakPolarHBondContact CA-O 3.4Å; E83-Q208 PolarHBondContact N-O 3.2Å; Q208-T239 CarbonylContact C-O 3.53Å; Q208-T239 WeakPolarHBondContact CA-O 3.44Å; Q208-T239 WeakPolarHBondContact CB-O 3.4Å; Q208-T239 HydrophobicContact CG-CG2 4.44Å; Q208-I318 HydrophobicContact CB-CD1 3.51Å; Q208-I318 HydrophobicContact CB-CG1 4.47Å
209	Y	92.9	Very high	84.6	Confident	15 Å²	15	50.9 Å²	50.9	6%	0.059	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.7	-179.5	49.2	-88.7	0	0	0	111.3	R137 V207 D237 T239 N316 I318	R137-Y209 HydrophobicContact CB-CD1 3.67Å; R137-Y209 HydrophobicContact CB-CE1 3.81Å; R137-Y209 HydrophobicContact CB-CG 4.46Å; V207-Y209 WeakPolarHBondContact O-CD1 3.41Å; Y209-D237 WeakPolarHBondContact CE2-OD2 3Å; Y209-D237 PolarHBondContact OH-OD1 3.36Å; Y209-T239 VanDerWaalsContact CE1-CB 3.47Å; Y209-T239 WeakPolarHBondContact CE1-OG1 3Å; Y209-T239 PolarHBondContact N-O 3.18Å; Y209-T239 VanDerWaalsContact O-O 3.04Å; Y209-T239 PolarHBondContact OH-OG1 3.31Å; Y209-N316 PolarHBondContact O-ND2 3.4Å; Y209-I318 VanDerWaalsContact C-CD1 3.45Å; Y209-I318 VanDerWaalsContact N-CD1 3.31Å; Y209-I318 WeakPolarHBondContact O-CD1 3.39Å
210	I	92.5	Very high	84.2	Confident	80 Å²	80	51.6 Å²	51.6	41%	0.41	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.5	174.2	-67.2	176.2	0	0	0	108.5	N212 I318 W320	I210-N212 PolarHBondContact O-N 3.02Å; I210-I318 HydrophobicContact CD1-CG2 4.38Å; I210-I318 HydrophobicContact CG1-CB 4.13Å; I210-I318 HydrophobicContact CG1-CG2 3.71Å; I210-W320 WeakPolarHBondContact CG2-O 2.79Å
211	P	91.5	Very high	83.5	Confident	4 Å²	4	49 Å²	49	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	132.8	-175.2	-25.1	36	0	0	0	112.1	V236 D237 A238 I242 A314 N316 S321	P211-V236 HydrophobicContact CB-CG1 3.8Å; P211-D237 WeakPolarHBondContact CA-O 3.21Å; P211-A238 HydrophobicContact CB-CB 3.94Å; P211-A238 HydrophobicContact CG-CB 4.08Å; P211-I242 HydrophobicContact CB-CG2 3.94Å; P211-I242 HydrophobicContact CG-CG2 3.6Å; P211-A314 HydrophobicContact CB-CB 4.11Å; P211-N316 HydrophobicContact CG-CB 4Å; P211-S321 WeakPolarHBondContact O-CA 2.96Å; P211-S321 WeakPolarHBondContact O-CB 2.12Å
212	N	90.8	Very high	82.7	Confident	57 Å²	57	49.2 Å²	49.2	31%	0.305	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.9	175.7	-175.5	20	0	0	0	109	I210 V236 D237	I210-N212 PolarHBondContact O-N 3.02Å; N212-V236 WeakPolarHBondContact O-CA 3.39Å; N212-D237 HydrophobicContact CB-CB 4.28Å; N212-D237 PolarHBondContact N-O 3.03Å; N212-D237 PolarHBondContact O-N 2.91Å
213	I	87.9	Confident	81.9	Confident	13 Å²	13	52.9 Å²	52.9	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.7	-178.2	-60.4	-177.4	0	0	0	109.5	I235 V236 A314 S321	I213-I235 WeakPolarHBondContact CA-O 3.23Å; I213-V236 HydrophobicContact CG1-CG1 4.49Å; I213-V236 HydrophobicContact CG1-CG2 4.31Å; I213-A314 HydrophobicContact CD1-CB 4.14Å; I213-S321 WeakPolarHBondContact CD1-OG 2.11Å
214	Q	78.8	Confident	80.8	Confident	92 Å²	92	53.3 Å²	53.3	43%	0.43	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.6	171.8	-61.8	-169.3	-2.8	0	0	109.4	I235 F292	Q214-I235 PolarHBondContact N-O 3.05Å; Q214-I235 WeakPolarHBondContact O-CB 3.14Å; Q214-F292 VanDerWaalsContact CD-CE1 3.48Å; Q214-F292 HydrophobicContact CG-CE1 4.12Å
215	L	69.5	Low	79.6	Confident	18 Å²	18	50 Å²	50	9%	0.094	27%	0.27	C	S	.	.			trans	-126	114.1	168.6	-162.8	80	0	0	0	105.7	N217 P325 L327	L215-N217 PolarHBondContact O-N 3.32Å; L215-P325 HydrophobicContact CB-CB 4.12Å; L215-P325 HydrophobicContact CB-CG 3.93Å; L215-P325 HydrophobicContact CD2-CB 3.99Å; L215-L327 HydrophobicContact CD1-CD2 4.41Å; L215-L327 HydrophobicContact CD2-CB 3.98Å; L215-L327 HydrophobicContact CD2-CD1 4.21Å
216	N	61.3	Low	78.8	Confident	93 Å²	93	53.3 Å²	53.3	50%	0.497	28%	0.283	S	S	.	.			trans	-69.8	123.3	179.4	-168.1	-12.9	0	0	0	108.7	S218 I219	N216-S218 PolarHBondContact ND2-OG 2.85Å; N216-S218 PolarHBondContact O-N 2.92Å; N216-S218 VanDerWaalsContact O-N 3.08Å; N216-S218 PolarHBondContact OD1-N 2.86Å; N216-S218 PolarHBondContact OD1-OG 3.03Å; N216-I219 HydrophobicContact CB-CD1 4.03Å; N216-I219 HydrophobicContact CB-CG1 4.27Å; N216-I219 PolarHBondContact O-N 2.81Å
217	N	58.1	Low	77.7	Confident	129 Å²	129	56.2 Å²	56.2	69%	0.69	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59	-23.6	-177	-74.8	-24	0	0	0	112.8	L215 I219 N220	L215-N217 PolarHBondContact O-N 3.32Å; N217-I219 PolarHBondContact O-N 2.85Å; N217-N220 PolarHBondContact O-N 2.83Å
218	S	56.3	Low	76.2	Confident	96 Å²	96	57 Å²	57	67%	0.671	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-64	-14.8	174.7	61	0	0	0	0	114.9	N216	N216-S218 PolarHBondContact ND2-OG 2.85Å; N216-S218 PolarHBondContact O-N 2.92Å; N216-S218 VanDerWaalsContact O-N 3.08Å; N216-S218 PolarHBondContact OD1-N 2.86Å; N216-S218 PolarHBondContact OD1-OG 3.03Å
219	I	64.5	Low	74.9	Confident	61 Å²	61	58.2 Å²	58.2	31%	0.313	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-99.4	-6.8	-175.7	-53.8	176.4	0	0	0	111.4	N216 N217 P221 I222	N216-I219 HydrophobicContact CB-CD1 4.03Å; N216-I219 HydrophobicContact CB-CG1 4.27Å; N216-I219 PolarHBondContact O-N 2.81Å; N217-I219 PolarHBondContact O-N 2.85Å; I219-P221 CarbonylContact O-C 3.55Å; I219-I222 HydrophobicContact CG2-CD1 3.81Å; I219-I222 HydrophobicContact CG2-CG1 3.69Å; I219-I222 WeakPolarHBondContact O-CG1 3.44Å; I219-I222 PolarHBondContact O-N 3.34Å
220	N	77.7	Confident	73.4	Confident	55 Å²	55	58 Å²	58	29%	0.294	32%	0.32	S	S	.	.			trans	-110.5	120.1	-171.4	-163.2	16.4	0	0	0	111.2	N217 K326 L327 Q328	N217-N220 PolarHBondContact O-N 2.83Å; N220-K326 PolarHBondContact ND2-O 3Å; N220-L327 HydrophobicContact CB-CD1 4.5Å; N220-Q328 PolarHBondContact OD1-N 3.35Å
221	P	78.3	Confident	72.8	Confident	40 Å²	40	58.4 Å²	58.4	26%	0.26	32%	0.317	S	S	.	.	S	Bend	cis	-79.4	150.4	3	32.8	-36.7	0	0	0	114.3	I219 Y223 Q328 I330	I219-P221 CarbonylContact O-C 3.55Å; P221-Y223 HydrophobicContact CG-CE2 3.97Å; P221-Q328 CarbonylContact C-O 3.36Å; P221-Q328 WeakPolarHBondContact CA-O 3.43Å; P221-Q328 HydrophobicContact CB-CB 3.95Å; P221-Q328 HydrophobicContact CB-CG 4.01Å; P221-Q328 VanDerWaalsContact CB-O 3.3Å; P221-Q328 WeakPolarHBondContact CB-O 3.34Å; P221-I330 HydrophobicContact CB-CD1 3.76Å; P221-I330 HydrophobicContact CB-CG1 4.15Å; P221-I330 HydrophobicContact CG-CD1 3.83Å
222	I	76	Confident	72.4	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.108	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.6	166.7	-68.3	176.3	0	0	0	109.4	I219 L224 I232 P233 L327 Q328 V329 I330	I219-I222 HydrophobicContact CG2-CD1 3.81Å; I219-I222 HydrophobicContact CG2-CG1 3.69Å; I219-I222 WeakPolarHBondContact O-CG1 3.44Å; I219-I222 PolarHBondContact O-N 3.34Å; I222-L224 HydrophobicContact CG2-CD2 3.78Å; I222-L224 HydrophobicContact CG2-CG 4.12Å; I222-I232 HydrophobicContact CD1-CB 4.06Å; I222-I232 HydrophobicContact CD1-CG2 3.78Å; I222-I232 HydrophobicContact CG2-CG2 4.26Å; I222-P233 HydrophobicContact CD1-CG 4.46Å; I222-L327 HydrophobicContact CD1-CD1 3.85Å; I222-L327 HydrophobicContact CD1-CD2 4.02Å; I222-L327 HydrophobicContact CD1-CG 4.41Å; I222-L327 HydrophobicContact CG1-CD1 3.92Å; I222-Q328 PolarHBondContact N-O 3.18Å; I222-V329 WeakPolarHBondContact O-CA 3.38Å; I222-I330 PolarHBondContact O-N 3.44Å
223	Y	78.7	Confident	72.1	Confident	137 Å²	137	55.9 Å²	55.9	54%	0.537	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.4	171.9	-64.2	-76.4	0	0	0	110.4	P221 I330 N332	P221-Y223 HydrophobicContact CG-CE2 3.97Å; Y223-I330 WeakPolarHBondContact CA-O 3.28Å; Y223-I330 HydrophobicContact CD1-CB 3.69Å; Y223-I330 HydrophobicContact CD1-CD1 4.31Å; Y223-I330 HydrophobicContact CD1-CG2 3.89Å; Y223-I330 HydrophobicContact CE1-CB 3.86Å; Y223-I330 HydrophobicContact CE1-CD1 3.61Å; Y223-I330 HydrophobicContact CE1-CG1 4.28Å; Y223-I330 HydrophobicContact CE1-CG2 3.92Å; Y223-N332 WeakPolarHBondContact CB-ND2 3.45Å; Y223-N332 WeakPolarHBondContact CD1-ND2 3.33Å
224	L	73.6	Confident	72	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.063	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.2	175.6	-61	-178	0	0	0	110.4	I222 W299 V302 V329 I330 V331 N332	I222-L224 HydrophobicContact CG2-CD2 3.78Å; I222-L224 HydrophobicContact CG2-CG 4.12Å; L224-W299 HydrophobicContact CD1-CE3 4.35Å; L224-W299 HydrophobicContact CD1-CZ3 4.21Å; L224-V302 HydrophobicContact CB-CG1 3.97Å; L224-V302 HydrophobicContact CB-CG2 4.29Å; L224-V302 HydrophobicContact CD1-CG1 4.31Å; L224-V302 HydrophobicContact CD1-CG2 4.15Å; L224-V329 HydrophobicContact CD1-CG1 3.64Å; L224-V329 HydrophobicContact CG-CG1 3.99Å; L224-I330 PolarHBondContact N-O 3.45Å; L224-V331 WeakPolarHBondContact O-CA 3.23Å; L224-N332 PolarHBondContact O-N 3.15Å
225	G	69.3	Low	72.4	Confident	42 Å²	42	52.1 Å²	52.1	43%	0.433	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.4	176.9	0	0	0	0	0	111.9	G228	G225-G228 PolarHBondContact O-N 3.31Å
226	R	77.1	Confident	73.2	Confident	71 Å²	71	51.4 Å²	51.4	27%	0.268	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140.1	174.2	-171	-170.3	-175.6	137.8	16.1	110.9	G228 E304 V331 N332 E333	R226-G228 PolarHBondContact O-N 3.18Å; R226-G228 VanDerWaalsContact O-N 3.1Å; R226-E304 IonicContact CZ-OE2 3.66Å; R226-E304 VanDerWaalsContact CZ-OE2 3.26Å; R226-E304 IonicContact NH1-OE2 3.75Å; R226-E304 PolarHBondContact NH1-OE2 3.32Å; R226-E304 IonicContact NH2-OE2 2.8Å; R226-E304 PolarHBondContact NH2-OE2 2.95Å; R226-V331 HydrophobicContact CB-CG1 3.86Å; R226-V331 HydrophobicContact CG-CG1 4.41Å; R226-N332 WeakPolarHBondContact CB-O 3.44Å; R226-N332 PolarHBondContact N-O 3.33Å; R226-E333 HydrophobicContact CB-CB 4.24Å; R226-E333 HydrophobicContact CB-CG 4.34Å; R226-E333 VanDerWaalsContact CD-CD 3.48Å; R226-E333 WeakPolarHBondContact CD-OE2 3.26Å; R226-E333 IonicContact CZ-OE2 3.36Å; R226-E333 IonicContact NE-OE2 3.97Å; R226-E333 IonicContact NH1-OE2 3.46Å; R226-E333 PolarHBondContact NH1-OE2 3.01Å
227	N	71.3	Confident	74.5	Confident	101 Å²	101	47.5 Å²	47.5	54%	0.54	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-16	-175.3	-55.3	-14.4	0	0	0	115.6	V302	N227-V302 PolarHBondContact N-O 3.07Å
228	G	61.2	Low	76	Confident	16 Å²	16	42.4 Å²	42.4	17%	0.165	24%	0.238	C	C	.	.	S	Bend	trans	-83.7	173.4	171.8	0	0	0	0	0	112.8	G225 R226 V302	G225-G228 PolarHBondContact O-N 3.31Å; R226-G228 PolarHBondContact O-N 3.18Å; R226-G228 VanDerWaalsContact O-N 3.1Å; G228-V302 WeakPolarHBondContact O-CG2 3.33Å; G228-V302 PolarHBondContact O-N 3.13Å
229	P	65.2	Low	77.5	Confident	70 Å²	70	39.3 Å²	39.3	46%	0.455	22%	0.215	S	C	.	.			trans	-68.5	150.8	169.7	31	-35.5	0	0	0	110.6	W299 D300 T427	P229-W299 WeakPolarHBondContact CA-O 3.34Å; P229-D300 WeakPolarHBondContact CA-O 3.15Å; P229-T427 HydrophobicContact CG-CG2 4.08Å
230	G	61.9	Low	78.6	Confident	10 Å²	10	37.9 Å²	37.9	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.8	178.8	0	0	0	0	0	112.4	E298 W299	G230-E298 CarbonylContact O-C 3.6Å; G230-E298 WeakPolarHBondContact O-CA 3.46Å; G230-W299 PolarHBondContact N-O 2.9Å; G230-W299 PolarHBondContact O-N 3.38Å
231	R	79.4	Confident	79	Confident	88 Å²	88	39.3 Å²	39.3	33%	0.332	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.3	177.2	63	-177.1	-168.7	165.7	6.2	113.2	W296 Y297 E298	R231-W296 HydrophobicContact CB-CE3 3.98Å; R231-W296 HydrophobicContact CG-CD2 4.37Å; R231-W296 HydrophobicContact CG-CE3 3.59Å; R231-W296 HydrophobicContact CG-CZ3 3.89Å; R231-Y297 CarbonylContact C-O 3.59Å; R231-Y297 WeakPolarHBondContact CA-O 3.25Å; R231-E298 HydrophobicContact CB-CB 4.27Å; R231-E298 HydrophobicContact CB-CG 3.76Å; R231-E298 WeakPolarHBondContact CD-OE1 3.17Å; R231-E298 IonicContact NH1-OE1 3.56Å
232	I	84	Confident	79.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.4	174.4	63	175.9	0	0	0	111.5	I222 W247 Y297 W299 Y310 L327 V329	I222-I232 HydrophobicContact CD1-CB 4.06Å; I222-I232 HydrophobicContact CD1-CG2 3.78Å; I222-I232 HydrophobicContact CG2-CG2 4.26Å; I232-W247 HydrophobicContact CB-CH2 4.33Å; I232-W247 HydrophobicContact CD1-CE3 3.84Å; I232-W247 HydrophobicContact CD1-CH2 3.79Å; I232-W247 HydrophobicContact CD1-CZ3 3.4Å; I232-W247 HydrophobicContact CG1-CE3 4.43Å; I232-W247 HydrophobicContact CG1-CH2 3.63Å; I232-W247 HydrophobicContact CG1-CZ2 4.11Å; I232-W247 HydrophobicContact CG1-CZ3 3.82Å; I232-Y297 HydrophobicContact CD1-CD1 4.16Å; I232-Y297 HydrophobicContact CG1-CD1 4.21Å; I232-Y297 PolarHBondContact N-O 3.03Å; I232-Y297 PolarHBondContact O-N 3.35Å; I232-W299 HydrophobicContact CD1-CH2 3.93Å; I232-W299 HydrophobicContact CD1-CZ3 4.29Å; I232-W299 HydrophobicContact CG1-CH2 4.15Å; I232-W299 HydrophobicContact CG1-CZ3 3.99Å; I232-W299 HydrophobicContact CG2-CZ3 4.16Å; I232-Y310 HydrophobicContact CD1-CD1 4.07Å; I232-Y310 HydrophobicContact CD1-CD2 4.41Å; I232-Y310 HydrophobicContact CD1-CG 3.93Å; I232-L327 HydrophobicContact CB-CD2 4.05Å; I232-L327 HydrophobicContact CD1-CD2 4.21Å; I232-L327 HydrophobicContact CG2-CD2 4.45Å; I232-V329 HydrophobicContact CD1-CG2 4.46Å; I232-V329 HydrophobicContact CG2-CG2 3.87Å
233	P	84.8	Confident	79.8	Confident	8 Å²	8	40.1 Å²	40.1	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.9	-176.4	34	-31.3	0	0	0	113.1	I222 I294 W296	I222-P233 HydrophobicContact CD1-CG 4.46Å; P233-I294 HydrophobicContact CB-CG2 3.75Å; P233-W296 HydrophobicContact CB-CE3 3.93Å; P233-W296 HydrophobicContact CB-CH2 4.02Å; P233-W296 HydrophobicContact CB-CZ3 3.66Å; P233-W296 HydrophobicContact CG-CH2 4.43Å; P233-W296 HydrophobicContact CG-CZ3 3.99Å
234	C	85.8	Confident	80.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.7	159.1	-166.6	0	0	0	0	108	W247 Y295 C312	C234-W247 HydrophobicContact CB-CH2 3.97Å; C234-W247 HydrophobicContact CB-CZ2 3.55Å; C234-Y295 PolarHBondContact N-O 2.9Å; C234-Y295 PolarHBondContact O-N 3.02Å; C234-C312 HydrophobicContact CB-CB 3.76Å; C234-C312 WeakPolarHBondContact CB-SG 3.28Å; C234-C312 WeakPolarHBondContact SG-CB 3.28Å; C234-C312 CovalentContact SG-SG 2.04Å; C234-C312 PolarHBondContact SG-SG 2.84Å
235	I	86.3	Confident	80.7	Confident	27 Å²	27	35.1 Å²	35.1	14%	0.138	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.9	-178	-48	176.2	0	0	0	108.4	I213 Q214 F292 I294	I213-I235 WeakPolarHBondContact CA-O 3.23Å; Q214-I235 PolarHBondContact N-O 3.05Å; Q214-I235 WeakPolarHBondContact O-CB 3.14Å; I235-F292 HydrophobicContact CG2-CB 3.84Å; I235-F292 HydrophobicContact CG2-CD1 4.15Å; I235-F292 HydrophobicContact CG2-CG 4.26Å; I235-I294 HydrophobicContact CG1-CG1 4.31Å; I235-I294 HydrophobicContact CG2-CG1 4.38Å
236	V	87	Confident	81.6	Confident	3 Å²	3	34 Å²	34	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.7	-167.2	-167.4	0	0	0	0	111.5	P211 N212 I213 A238 I242 F292 T293 Y295 A314	P211-V236 HydrophobicContact CB-CG1 3.8Å; N212-V236 WeakPolarHBondContact O-CA 3.39Å; I213-V236 HydrophobicContact CG1-CG1 4.49Å; I213-V236 HydrophobicContact CG1-CG2 4.31Å; V236-A238 HydrophobicContact CG1-CB 4.24Å; V236-I242 HydrophobicContact CG1-CG2 4.12Å; V236-F292 WeakPolarHBondContact O-CA 3.46Å; V236-T293 PolarHBondContact N-O 2.96Å; V236-T293 PolarHBondContact O-N 3.02Å; V236-Y295 HydrophobicContact CB-CD2 4.39Å; V236-Y295 HydrophobicContact CB-CE2 4.26Å; V236-Y295 HydrophobicContact CG2-CD2 3.96Å; V236-Y295 HydrophobicContact CG2-CE2 4.28Å; V236-A314 HydrophobicContact CG1-CB 3.9Å; V236-A314 HydrophobicContact CG2-CB 4.1Å
237	D	88.7	Confident	82.1	Confident	11 Å²	11	30.8 Å²	30.8	6%	0.059	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.9	168.6	169.6	65.2	0	0	0	108.1	R137 Y209 P211 N212 S291 F292	R137-D237 IonicContact NH1-OD2 3.27Å; R137-D237 PolarHBondContact NH1-OD2 2.84Å; Y209-D237 WeakPolarHBondContact CE2-OD2 3Å; Y209-D237 PolarHBondContact OH-OD1 3.36Å; P211-D237 WeakPolarHBondContact CA-O 3.21Å; N212-D237 HydrophobicContact CB-CB 4.28Å; N212-D237 PolarHBondContact N-O 3.03Å; N212-D237 PolarHBondContact O-N 2.91Å; D237-S291 VanDerWaalsContact OD1-CB 3.25Å; D237-S291 WeakPolarHBondContact OD1-CB 3.39Å; D237-S291 PolarHBondContact OD1-OG 3.09Å; D237-F292 HydrophobicContact CB-CD1 3.68Å; D237-F292 HydrophobicContact CB-CE1 3.63Å
238	A	88.2	Confident	82.8	Confident	22 Å²	22	28.5 Å²	28.5	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	132	-173.2	0	0	0	0	0	113.3	P211 V236 P240 I242	P211-A238 HydrophobicContact CB-CB 3.94Å; P211-A238 HydrophobicContact CG-CB 4.08Å; V236-A238 HydrophobicContact CG1-CB 4.24Å; A238-P240 CarbonylContact C-O 3.05Å; A238-I242 HydrophobicContact CB-CG2 3.71Å
239	T	89.3	Confident	83.9	Confident	31 Å²	31	30.9 Å²	30.9	19%	0.19	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.7	168	-60.3	0	0	0	0	108.9	N206 V207 Q208 Y209	N206-T239 VanDerWaalsContact OD1-CG2 3.29Å; N206-T239 WeakPolarHBondContact OD1-CG2 3.44Å; V207-T239 WeakPolarHBondContact O-CG2 3.08Å; Q208-T239 CarbonylContact C-O 3.53Å; Q208-T239 WeakPolarHBondContact CA-O 3.44Å; Q208-T239 WeakPolarHBondContact CB-O 3.4Å; Q208-T239 HydrophobicContact CG-CG2 4.44Å; Y209-T239 VanDerWaalsContact CE1-CB 3.47Å; Y209-T239 WeakPolarHBondContact CE1-OG1 3Å; Y209-T239 PolarHBondContact N-O 3.18Å; Y209-T239 VanDerWaalsContact O-O 3.04Å; Y209-T239 PolarHBondContact OH-OG1 3.31Å
240	P	87.3	Confident	84.8	Confident	30 Å²	30	29.3 Å²	29.3	20%	0.195	16%	0.157	C	C	.	.	S	Bend	cis	-65.4	174.5	-7.5	32.5	-35.9	0	0	0	111.9	A238 N316 T317	A238-P240 CarbonylContact C-O 3.05Å; P240-N316 HydrophobicContact CG-CB 4.4Å; P240-N316 PolarHBondContact O-ND2 3.11Å; P240-T317 WeakPolarHBondContact CG-OG1 3.37Å
241	S	86	Confident	85.2	Confident	85 Å²	85	36.1 Å²	36.1	59%	0.594	19%	0.189	S	C	*	.			trans	-47.9	150.3	171.1	51.1	0	0	0	0	112.4	N316	S241-N316 WeakPolarHBondContact O-CB 3.4Å
242	I	86.3	Confident	83.9	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.051	19%	0.193	C	C	.	.			trans	-76.3	151.1	177.9	58.7	158	0	0	0	112.8	P211 V236 A238 I245 V279 Y295 A314 R315 N316	P211-I242 HydrophobicContact CB-CG2 3.94Å; P211-I242 HydrophobicContact CG-CG2 3.6Å; V236-I242 HydrophobicContact CG1-CG2 4.12Å; A238-I242 HydrophobicContact CB-CG2 3.71Å; I242-I245 HydrophobicContact CD1-CD1 3.6Å; I242-I245 HydrophobicContact CD1-CG1 3.45Å; I242-I245 VanDerWaalsContact CD1-CG1 3.45Å; I242-V279 HydrophobicContact CD1-CG2 3.77Å; I242-V279 HydrophobicContact CG1-CG2 3.87Å; I242-Y295 HydrophobicContact CD1-CD2 3.96Å; I242-Y295 HydrophobicContact CD1-CE1 4.19Å; I242-Y295 HydrophobicContact CD1-CE2 3.38Å; I242-Y295 HydrophobicContact CG1-CE2 3.89Å; I242-Y295 VanDerWaalsContact CG1-OH 3.31Å; I242-Y295 WeakPolarHBondContact CG1-OH 3.28Å; I242-A314 HydrophobicContact CD1-CB 4.14Å; I242-A314 HydrophobicContact CG2-CB 4.12Å; I242-R315 CarbonylContact C-O 3.58Å; I242-R315 WeakPolarHBondContact CA-O 3.49Å; I242-R315 WeakPolarHBondContact CB-O 3.38Å; I242-N316 HydrophobicContact CG2-CB 4.32Å
243	D	84.8	Confident	81.5	Confident	68 Å²	68	40.7 Å²	40.7	36%	0.364	23%	0.229	S	C	.	.	S	Bend	trans	-103.6	-31.1	178.7	-45.4	-66.3	0	0	0	111.9	R315 N316 T317	D243-R315 PolarHBondContact N-O 2.91Å; D243-N316 VanDerWaalsContact OD2-CA 3.29Å; D243-N316 WeakPolarHBondContact OD2-CA 3.4Å; D243-T317 PolarHBondContact OD2-N 2.87Å; D243-T317 VanDerWaalsContact OD2-N 3.13Å
244	L	84.9	Confident	78.8	Confident	44 Å²	44	46 Å²	46	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.2	-176.6	-62.8	173	0	0	0	111.9	I276 A314 R315 W320	L244-I276 HydrophobicContact CD2-CG2 4.21Å; L244-A314 WeakPolarHBondContact O-CA 3.44Å; L244-R315 HydrophobicContact CB-CB 4.19Å; L244-R315 PolarHBondContact N-O 2.94Å; L244-R315 PolarHBondContact O-N 2.93Å; L244-W320 HydrophobicContact CB-CH2 4.24Å; L244-W320 HydrophobicContact CD1-CZ2 4.44Å
245	I	85.3	Confident	76.3	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144	161	-65.9	-171.1	0	0	0	109.5	I242 I276 L277 L282 Y295 R313 A314	I242-I245 HydrophobicContact CD1-CD1 3.6Å; I242-I245 HydrophobicContact CD1-CG1 3.45Å; I242-I245 VanDerWaalsContact CD1-CG1 3.45Å; I245-I276 CarbonylContact O-C 3.6Å; I245-I276 WeakPolarHBondContact O-CA 3.34Å; I245-L277 PolarHBondContact N-O 3.44Å; I245-L277 VanDerWaalsContact N-O 3.16Å; I245-L277 PolarHBondContact O-N 2.86Å; I245-L282 HydrophobicContact CB-CD1 4.18Å; I245-L282 HydrophobicContact CD1-CD1 3.98Å; I245-L282 HydrophobicContact CG1-CD1 4.27Å; I245-Y295 HydrophobicContact CD1-CD1 4.05Å; I245-Y295 HydrophobicContact CD1-CD2 3.53Å; I245-Y295 HydrophobicContact CD1-CE2 4.28Å; I245-Y295 HydrophobicContact CD1-CG 3.36Å; I245-R313 WeakPolarHBondContact CA-O 3.31Å; I245-A314 HydrophobicContact CG1-CB 4.18Å
246	E	87.7	Confident	73.5	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.093	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.9	171.8	-178.1	-174.8	146.5	0	0	109.1	I276 C312 R313 W320 W323	E246-I276 HydrophobicContact CB-CG1 4.03Å; E246-I276 HydrophobicContact CG-CG1 3.74Å; E246-C312 CarbonylContact O-C 3.38Å; E246-C312 WeakPolarHBondContact O-CA 3.46Å; E246-R313 HydrophobicContact CB-CG 3.91Å; E246-R313 VanDerWaalsContact CD-NE 3.28Å; E246-R313 PolarHBondContact N-O 3.12Å; E246-R313 PolarHBondContact O-N 3.25Å; E246-R313 IonicContact OE1-CZ 3.39Å; E246-R313 IonicContact OE1-NE 3.53Å; E246-R313 PolarHBondContact OE1-NE 3.26Å; E246-R313 IonicContact OE1-NH2 2.71Å; E246-R313 PolarHBondContact OE1-NH2 3.09Å; E246-R313 IonicContact OE2-CZ 3.3Å; E246-R313 IonicContact OE2-NE 2.77Å; E246-R313 PolarHBondContact OE2-NE 3Å; E246-R313 IonicContact OE2-NH2 3.42Å; E246-R313 PolarHBondContact OE2-NH2 3Å; E246-W320 HydrophobicContact CB-CH2 3.91Å; E246-W320 HydrophobicContact CB-CZ3 3.85Å; E246-W323 HydrophobicContact CB-CH2 4.5Å; E246-W323 HydrophobicContact CG-CH2 3.86Å; E246-W323 WeakPolarHBondContact O-CZ3 2.1Å; E246-W323 VanDerWaalsContact OE1-CH2 3.27Å; E246-W323 WeakPolarHBondContact OE1-CH2 3.31Å; E246-W323 WeakPolarHBondContact OE1-CZ2 3.48Å
247	W	87.7	Confident	70.8	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.008	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.7	168.9	-74.8	93.4	0	0	0	110.3	I232 C234 G274 T275 Y297 C312 L327	I232-W247 HydrophobicContact CB-CH2 4.33Å; I232-W247 HydrophobicContact CD1-CE3 3.84Å; I232-W247 HydrophobicContact CD1-CH2 3.79Å; I232-W247 HydrophobicContact CD1-CZ3 3.4Å; I232-W247 HydrophobicContact CG1-CE3 4.43Å; I232-W247 HydrophobicContact CG1-CH2 3.63Å; I232-W247 HydrophobicContact CG1-CZ2 4.11Å; I232-W247 HydrophobicContact CG1-CZ3 3.82Å; C234-W247 HydrophobicContact CB-CH2 3.97Å; C234-W247 HydrophobicContact CB-CZ2 3.55Å; W247-G274 CarbonylContact O-C 3.52Å; W247-G274 VanDerWaalsContact O-C 3.32Å; W247-G274 WeakPolarHBondContact O-CA 3.42Å; W247-T275 PolarHBondContact N-O 2.87Å; W247-T275 PolarHBondContact O-N 2.94Å; W247-Y297 HydrophobicContact CD2-CD1 4.39Å; W247-Y297 HydrophobicContact CD2-CG 4.42Å; W247-Y297 HydrophobicContact CG-CD1 4.3Å; W247-Y297 HydrophobicContact CG-CG 4.23Å; W247-C312 HydrophobicContact CD2-CB 3.78Å; W247-C312 HydrophobicContact CE3-CB 3.7Å; W247-C312 HydrophobicContact CG-CB 4.48Å; W247-C312 HydrophobicContact CH2-CB 4.02Å; W247-C312 HydrophobicContact CZ2-CB 4.09Å; W247-C312 HydrophobicContact CZ3-CB 3.81Å; W247-L327 HydrophobicContact CZ3-CD2 4.43Å
248	R	86	Confident	67.8	Low	54 Å²	54	72.9 Å²	72.9	20%	0.204	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.3	165.1	74.5	-179.8	177.5	-171.4	0.2	111.7	L250 Y310 Q311 W323	R248-L250 HydrophobicContact CG-CD2 4.31Å; R248-Y310 WeakPolarHBondContact O-CA 3.46Å; R248-Q311 HydrophobicContact CG-CB 4.26Å; R248-Q311 PolarHBondContact N-O 2.68Å; R248-Q311 VanDerWaalsContact NE-OE1 3.12Å; R248-Q311 PolarHBondContact O-N 2.82Å; R248-W323 HydrophobicContact CB-CH2 3.86Å; R248-W323 HydrophobicContact CB-CZ3 3.93Å; R248-W323 HydrophobicContact CG-CE3 3.96Å; R248-W323 HydrophobicContact CG-CH2 3.72Å; R248-W323 HydrophobicContact CG-CZ2 4.41Å; R248-W323 HydrophobicContact CG-CZ3 3.47Å; R248-W323 VanDerWaalsContact CG-CZ3 3.47Å
249	K	86	Confident	65.1	Low	65 Å²	65	75.9 Å²	75.9	28%	0.283	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.5	163.8	-167.5	172	-170.6	154.8	0	109.3	S305 D306 G307 Y310	K249-S305 PolarHBondContact NZ-O 2.81Å; K249-D306 PolarHBondContact NZ-O 3.36Å; K249-G307 WeakPolarHBondContact CE-O 3.46Å; K249-G307 PolarHBondContact NZ-O 2.92Å; K249-Y310 HydrophobicContact CB-CD1 4.11Å; K249-Y310 HydrophobicContact CB-CE1 3.8Å; K249-Y310 HydrophobicContact CD-CE1 4.07Å; K249-Y310 HydrophobicContact CD-CE2 4.38Å; K249-Y310 HydrophobicContact CG-CD1 4.39Å; K249-Y310 HydrophobicContact CG-CE1 3.95Å; K249-Y310 HydrophobicContact CG-CE2 4.35Å; K249-Y310 PolarHBondContact NZ-OH 2.91Å; K249-Y310 VanDerWaalsContact NZ-OH 3.14Å
250	L	83.6	Confident	62	Low	37 Å²	37	82.6 Å²	82.6	19%	0.194	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.2	171.6	-57.3	-175.4	0	0	0	108.7	R248 N252 I309 K326	R248-L250 HydrophobicContact CG-CD2 4.31Å; L250-N252 PolarHBondContact O-N 3.5Å; L250-I309 HydrophobicContact CB-CB 4.31Å; L250-I309 HydrophobicContact CD1-CB 4.41Å; L250-I309 HydrophobicContact CD1-CG2 3.87Å; L250-I309 HydrophobicContact CG-CG2 4.41Å; L250-I309 PolarHBondContact N-O 2.87Å; L250-K326 HydrophobicContact CD1-CD 4.44Å; L250-K326 HydrophobicContact CD1-CG 4.32Å
251	I	70.2	Confident	59.2	Low	153 Å²	153	87.4 Å²	87.4	79%	0.785	48%	0.478	S	S	*	.			trans	-77.2	113.9	173.8	-58.5	174	0	0	0	107.3	S253	I251-S253 PolarHBondContact O-N 2.97Å; I251-S253 VanDerWaalsContact O-N 3.09Å
252	N	51.8	Low	56.3	Low	76 Å²	76	90.5 Å²	90.5	41%	0.406	49%	0.486	S	S	.	.			trans	-71	104.3	173.8	-82.2	0.4	0	0	0	109.9	L250 S254 I255	L250-N252 PolarHBondContact O-N 3.5Å; N252-S254 PolarHBondContact O-N 2.9Å; N252-I255 HydrophobicContact CB-CG1 4.42Å; N252-I255 WeakPolarHBondContact ND2-CD1 3.46Å
253	S	33.7	Very low	53.6	Low	108 Å²	108	97.1 Å²	97.1	76%	0.755	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	130.2	145.2	51.3	0	0	0	0	108.8	I251	I251-S253 PolarHBondContact O-N 2.97Å; I251-S253 VanDerWaalsContact O-N 3.09Å
254	S	27.8	Very low	50.9	Low	120 Å²	120	100.1 Å²	100.1	84%	0.839	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	60.3	176.1	75.1	0	0	0	0	119.3	N252	N252-S254 PolarHBondContact O-N 2.9Å
255	I	34.3	Very low	48.1	Very low	127 Å²	127	102 Å²	102	65%	0.651	55%	0.553	S	S	*	*			trans	-125.1	116.7	146.2	-61.6	-176.1	0	0	0	109.6	N252 S257	N252-I255 HydrophobicContact CB-CG1 4.42Å; N252-I255 WeakPolarHBondContact ND2-CD1 3.46Å; I255-S257 PolarHBondContact O-N 2.88Å
256	K	26.3	Very low	45.2	Very low	192 Å²	192	112.4 Å²	112.4	84%	0.835	60%	0.599	S	S	*	*			trans	-88.8	84.9	175.1	-71.6	-175.7	176.2	-178	0	111.4
257	S	30.3	Very low	42.4	Very low	99 Å²	99	120.4 Å²	120.4	69%	0.692	64%	0.636	S	S	*	*			trans	-68.1	136.4	158.5	41.4	0	0	0	0	109.5	I255 S259	I255-S257 PolarHBondContact O-N 2.88Å; S257-S259 PolarHBondContact O-N 3.46Å
258	H	26.9	Very low	39.4	Very low	187 Å²	187	129.8 Å²	129.8	87%	0.866	68%	0.68	S	S	*	*	S	Bend	trans	-86.1	90.9	-177.3	-82.5	50.2	0	0	0	111.5
259	S	30.5	Very low	36.4	Very low	85 Å²	85	134.9 Å²	134.9	59%	0.594	71%	0.711	S	S	*	*			trans	-147.7	117.7	159.3	48	0	0	0	0	110.2	S257 I261	S257-S259 PolarHBondContact O-N 3.46Å; S259-I261 PolarHBondContact O-N 3.17Å
260	N	25.1	Very low	33.4	Very low	172 Å²	172	135.8 Å²	135.8	92%	0.92	73%	0.726	S	S	*	*			trans	-78	84	-179.6	-70.2	-9	0	0	0	110.3
261	I	28.5	Very low	30.7	Very low	132 Å²	132	142.7 Å²	142.7	68%	0.677	75%	0.754	S	S	*	*			trans	-123.3	107.6	166.4	-55.8	-178.3	0	0	0	107.7	S259 I263	S259-I261 PolarHBondContact O-N 3.17Å; I261-I263 HydrophobicContact CG2-CD1 4.33Å; I261-I263 HydrophobicContact CG2-CG1 4.03Å; I261-I263 PolarHBondContact O-N 3.22Å
262	I	25	Very low	28.8	Very low	149 Å²	149	138.2 Å²	138.2	76%	0.764	73%	0.734	S	S	*	*			trans	-77.2	119.6	176	-61	169	0	0	0	107.6
263	I	30	Very low	27.7	Very low	149 Å²	149	143.9 Å²	143.9	76%	0.764	76%	0.761	S	S	*	*			trans	-125.2	100.5	169.5	-55.5	-178.1	0	0	0	106.9	I261	I261-I263 HydrophobicContact CG2-CD1 4.33Å; I261-I263 HydrophobicContact CG2-CG1 4.03Å; I261-I263 PolarHBondContact O-N 3.22Å
264	N	26.7	Very low	28.2	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	74%	0.737	S	S	*	*			trans	-78.8	148.2	178	-80.3	0.2	0	0	0	111.6
265	S	26	Very low	29.7	Very low	83 Å²	83	136.8 Å²	136.8	58%	0.58	71%	0.712	S	S	*	*			trans	42.7	98.6	156.6	59.6	0	0	0	0	118.2
266	F	25.4	Very low	30.8	Very low	218 Å²	218	135.1 Å²	135.1	96%	0.956	70%	0.704	S	S	*	*			trans	-115.9	127.5	135	-119.4	-93.5	0	0	0	108.4
267	Q	28.2	Very low	32.4	Very low	189 Å²	189	127.4 Å²	127.4	88%	0.883	67%	0.672	S	S	*	*			trans	-69	158.7	-171.8	-81	177.9	-40.1	0	0	112.9	N269	Q267-N269 PolarHBondContact O-N 2.95Å; Q267-N269 VanDerWaalsContact O-N 3.14Å
268	Q	25.3	Very low	33.7	Very low	198 Å²	198	124.7 Å²	124.7	93%	0.925	65%	0.652	S	S	*	*			trans	-61.2	112.7	-177.3	-63.2	170.7	-3.7	0	0	111.7
269	N	23.3	Very low	35.3	Very low	161 Å²	161	117.2 Å²	117.2	86%	0.861	62%	0.619	S	S	*	*			trans	-107.8	127.5	137.8	-122.9	-37	0	0	0	107.5	Q267	Q267-N269 PolarHBondContact O-N 2.95Å; Q267-N269 VanDerWaalsContact O-N 3.14Å
270	S	22.6	Very low	36.5	Very low	84 Å²	84	120.5 Å²	120.5	59%	0.587	63%	0.625	S	S	*	*			trans	-66.5	158.7	-170.9	72.1	0	0	0	0	112.9
271	K	27.1	Very low	37.7	Very low	182 Å²	182	119 Å²	119	79%	0.791	61%	0.612	S	S	*	*	S	Bend	trans	84.5	113.1	171.1	-54.8	152.3	-171.2	171.5	0	114.5	M273	K271-M273 PolarHBondContact O-N 2.84Å
272	T	30.2	Very low	39.1	Very low	60 Å²	60	113.7 Å²	113.7	37%	0.368	59%	0.586	S	S	.	*			trans	-8.7	108.3	150.2	50.7	0	0	0	0	113.4	G274	T272-G274 VanDerWaalsContact C-N 3.33Å; T272-G274 PolarHBondContact O-N 3.47Å
273	M	28.6	Very low	40.4	Very low	195 Å²	195	112 Å²	112	96%	0.961	58%	0.577	S	S	*	*			trans	-68.3	91.3	-178.2	-165.8	172.9	-166.4	0	0	109.7	K271	K271-M273 PolarHBondContact O-N 2.84Å
274	G	44.3	Very low	41.7	Very low	24 Å²	24	111 Å²	111	25%	0.247	56%	0.564	C	S	.	*			trans	-90.7	130.9	-177.1	0	0	0	0	0	111.6	W247 T272 I276	W247-G274 CarbonylContact O-C 3.52Å; W247-G274 VanDerWaalsContact O-C 3.32Å; W247-G274 WeakPolarHBondContact O-CA 3.42Å; T272-G274 VanDerWaalsContact C-N 3.33Å; T272-G274 PolarHBondContact O-N 3.47Å; G274-I276 PolarHBondContact O-N 3.18Å
275	T	59.3	Low	43	Very low	54 Å²	54	107.8 Å²	107.8	33%	0.331	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	95.6	170.5	25.8	0	0	0	0	108.9	W247 L277 Y297	W247-T275 PolarHBondContact N-O 2.87Å; W247-T275 PolarHBondContact O-N 2.94Å; T275-L277 PolarHBondContact O-N 3.24Å; T275-Y297 HydrophobicContact CG2-CE2 4.36Å
276	I	58.3	Low	44.3	Very low	92 Å²	92	111.4 Å²	111.4	47%	0.472	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.6	116	163.9	-59.3	173.6	0	0	0	107.1	L244 I245 E246 G274	L244-I276 HydrophobicContact CD2-CG2 4.21Å; I245-I276 CarbonylContact O-C 3.6Å; I245-I276 WeakPolarHBondContact O-CA 3.34Å; E246-I276 HydrophobicContact CB-CG1 4.03Å; E246-I276 HydrophobicContact CG-CG1 3.74Å; G274-I276 PolarHBondContact O-N 3.18Å
277	L	59.8	Low	45.3	Very low	31 Å²	31	108.5 Å²	108.5	16%	0.162	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.3	179	-65.3	169.3	0	0	0	108.5	I245 T275 L282 Y297	I245-L277 PolarHBondContact N-O 3.44Å; I245-L277 VanDerWaalsContact N-O 3.16Å; I245-L277 PolarHBondContact O-N 2.86Å; T275-L277 PolarHBondContact O-N 3.24Å; L277-L282 HydrophobicContact CB-CD1 4.3Å; L277-L282 HydrophobicContact CB-CD2 3.82Å; L277-L282 HydrophobicContact CB-CG 4.28Å; L277-L282 HydrophobicContact CD1-CD2 3.76Å; L277-L282 HydrophobicContact CG-CD2 4.35Å; L277-Y297 HydrophobicContact CD1-CD2 3.62Å; L277-Y297 HydrophobicContact CD1-CE2 4.06Å
278	P	57.3	Low	45.9	Very low	41 Å²	41	101.9 Å²	101.9	27%	0.266	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	140.8	166.7	-21.2	32.5	0	0	0	110.1	E280 Q281	P278-E280 VanDerWaalsContact CB-OE2 3.31Å; P278-E280 WeakPolarHBondContact CB-OE2 3.42Å; P278-E280 PolarHBondContact O-N 3.49Å; P278-Q281 HydrophobicContact CB-CG 4.36Å; P278-Q281 HydrophobicContact CG-CG 4.46Å; P278-Q281 WeakPolarHBondContact O-CB 3.16Å; P278-Q281 PolarHBondContact O-N 2.87Å
279	V	60.6	Low	46.7	Very low	31 Å²	31	98.6 Å²	98.6	19%	0.188	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-62.9	-26.7	-176.4	168.4	0	0	0	0	111.7	I242 Q281 L282 Y295	I242-V279 HydrophobicContact CD1-CG2 3.77Å; I242-V279 HydrophobicContact CG1-CG2 3.87Å; V279-Q281 PolarHBondContact O-N 3.36Å; V279-L282 PolarHBondContact O-N 2.9Å; V279-Y295 HydrophobicContact CG1-CE1 3.79Å
280	E	55.6	Low	48.1	Very low	153 Å²	153	94.4 Å²	94.4	72%	0.715	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-68.4	-8.4	174.6	-53.1	90.2	157.8	0	0	114.2	P278	P278-E280 VanDerWaalsContact CB-OE2 3.31Å; P278-E280 WeakPolarHBondContact CB-OE2 3.42Å; P278-E280 PolarHBondContact O-N 3.49Å
281	Q	50	Low	50.1	Low	140 Å²	140	93.8 Å²	93.8	65%	0.654	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-103.2	1.3	175.7	-62	-175.2	-10.3	0	0	113.1	P278 V279	P278-Q281 HydrophobicContact CB-CG 4.36Å; P278-Q281 HydrophobicContact CG-CG 4.46Å; P278-Q281 WeakPolarHBondContact O-CB 3.16Å; P278-Q281 PolarHBondContact O-N 2.87Å; V279-Q281 PolarHBondContact O-N 3.36Å
282	L	57.6	Low	52.3	Low	22 Å²	22	87.5 Å²	87.5	12%	0.115	47%	0.472	C	S	.	.	S	Bend	trans	-110.3	130.7	-173.1	-58.2	179.8	0	0	0	111.2	I245 L277 V279 R284 Y295	I245-L282 HydrophobicContact CB-CD1 4.18Å; I245-L282 HydrophobicContact CD1-CD1 3.98Å; I245-L282 HydrophobicContact CG1-CD1 4.27Å; L277-L282 HydrophobicContact CB-CD1 4.3Å; L277-L282 HydrophobicContact CB-CD2 3.82Å; L277-L282 HydrophobicContact CB-CG 4.28Å; L277-L282 HydrophobicContact CD1-CD2 3.76Å; L277-L282 HydrophobicContact CG-CD2 4.35Å; V279-L282 PolarHBondContact O-N 2.9Å; L282-R284 PolarHBondContact O-N 3.39Å; L282-Y295 HydrophobicContact CB-CD1 4.13Å; L282-Y295 HydrophobicContact CD1-CD1 4.06Å; L282-Y295 HydrophobicContact CD1-CG 4.47Å
283	L	52	Low	54.6	Low	112 Å²	112	85.5 Å²	85.5	59%	0.586	46%	0.46	S	S	*	.			trans	-64.2	132.3	170.9	-69.1	178.4	0	0	0	110.2
284	R	57.3	Low	57.1	Low	130 Å²	130	77.9 Å²	77.9	49%	0.491	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-118.1	125.5	-176.5	-170	-172.8	-168.7	-157.8	3.6	110.5	L282 E286 T293	L282-R284 PolarHBondContact O-N 3.39Å; R284-E286 PolarHBondContact O-N 3.02Å; R284-T293 HydrophobicContact CG-CG2 3.66Å; R284-T293 PolarHBondContact NH2-OG1 2.97Å
285	D	54.3	Low	58.8	Low	63 Å²	63	77.2 Å²	77.2	34%	0.337	41%	0.412	S	S	.	.			trans	-76.8	101.9	168	-70.5	-65.3	0	0	0	109.8	N287 W296	D285-N287 PolarHBondContact O-N 2.66Å; D285-W296 PolarHBondContact OD2-NE1 3.44Å
286	E	52.8	Low	59.7	Low	159 Å²	159	76.5 Å²	76.5	74%	0.743	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.5	-179.9	-59.2	-161.8	130.4	0	0	114.1	R284	R284-E286 PolarHBondContact O-N 3.02Å
287	N	46.1	Very low	60.8	Low	158 Å²	158	74.4 Å²	74.4	85%	0.845	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	7.7	-172.6	-69.5	-37.7	0	0	0	114.7	D285 S289	D285-N287 PolarHBondContact O-N 2.66Å; N287-S289 PolarHBondContact O-N 3.18Å
288	T	42.4	Very low	61.7	Low	50 Å²	50	77 Å²	77	31%	0.307	40%	0.401	S	S	.	.			trans	-75.3	107.6	177.2	44.6	0	0	0	0	111.5	S290 F292 I294	T288-S290 PolarHBondContact O-N 2.94Å; T288-F292 WeakPolarHBondContact CB-O 3.32Å; T288-F292 PolarHBondContact OG1-O 3.47Å; T288-I294 HydrophobicContact CG2-CD1 4.28Å; T288-I294 HydrophobicContact CG2-CG1 4.43Å
289	S	40.4	Very low	62.8	Low	128 Å²	128	76.5 Å²	76.5	90%	0.895	40%	0.395	S	S	*	.	S	Bend	trans	-77.5	56.5	176.6	61	0	0	0	0	112.7	N287	N287-S289 PolarHBondContact O-N 3.18Å
290	S	52.6	Low	63.2	Low	73 Å²	73	82.3 Å²	82.3	51%	0.51	42%	0.424	S	S	.	.	S	Bend	trans	-164.8	174.8	176.4	53.3	0	0	0	0	110.1	T288 F292	T288-S290 PolarHBondContact O-N 2.94Å; S290-F292 PolarHBondContact O-N 2.91Å; S290-F292 VanDerWaalsContact O-N 3.11Å
291	S	64.8	Low	64	Low	71 Å²	71	79.9 Å²	79.9	50%	0.497	42%	0.415	S	S	.	.	S	Bend	trans	-70.2	-3.9	-177	63.9	0	0	0	0	115.1	D237	D237-S291 VanDerWaalsContact OD1-CB 3.25Å; D237-S291 WeakPolarHBondContact OD1-CB 3.39Å; D237-S291 PolarHBondContact OD1-OG 3.09Å
292	F	74.7	Confident	65.1	Low	51 Å²	51	73.2 Å²	73.2	22%	0.224	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129	-175.4	-55.6	-81.4	0	0	0	112.2	Q214 I235 V236 D237 T288 S290	Q214-F292 VanDerWaalsContact CD-CE1 3.48Å; Q214-F292 HydrophobicContact CG-CE1 4.12Å; I235-F292 HydrophobicContact CG2-CB 3.84Å; I235-F292 HydrophobicContact CG2-CD1 4.15Å; I235-F292 HydrophobicContact CG2-CG 4.26Å; V236-F292 WeakPolarHBondContact O-CA 3.46Å; D237-F292 HydrophobicContact CB-CD1 3.68Å; D237-F292 HydrophobicContact CB-CE1 3.63Å; T288-F292 WeakPolarHBondContact CB-O 3.32Å; T288-F292 PolarHBondContact OG1-O 3.47Å; S290-F292 PolarHBondContact O-N 2.91Å; S290-F292 VanDerWaalsContact O-N 3.11Å
293	T	77.9	Confident	66.1	Low	18 Å²	18	78 Å²	78	11%	0.11	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.5	164.4	-59.3	0	0	0	0	109.9	V236 R284 Y295	V236-T293 PolarHBondContact N-O 2.96Å; V236-T293 PolarHBondContact O-N 3.02Å; R284-T293 HydrophobicContact CG-CG2 3.66Å; R284-T293 PolarHBondContact NH2-OG1 2.97Å; T293-Y295 HydrophobicContact CG2-CD1 4.49Å; T293-Y295 HydrophobicContact CG2-CD2 4Å; T293-Y295 HydrophobicContact CG2-CE1 3.91Å; T293-Y295 HydrophobicContact CG2-CE2 3.36Å
294	I	80.1	Confident	67.4	Low	34 Å²	34	77.7 Å²	77.7	17%	0.174	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.4	173.2	-51.7	-179.7	0	0	0	109.1	P233 I235 T288 W296	P233-I294 HydrophobicContact CB-CG2 3.75Å; I235-I294 HydrophobicContact CG1-CG1 4.31Å; I235-I294 HydrophobicContact CG2-CG1 4.38Å; T288-I294 HydrophobicContact CG2-CD1 4.28Å; T288-I294 HydrophobicContact CG2-CG1 4.43Å; I294-W296 HydrophobicContact CG2-CD2 4.36Å; I294-W296 HydrophobicContact CG2-CZ2 3.91Å
295	Y	80.1	Confident	68.7	Low	10 Å²	10	75.5 Å²	75.5	4%	0.039	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.7	175.5	-63.3	-84.1	0	0	0	110.4	C234 V236 I242 I245 V279 L282 T293	C234-Y295 PolarHBondContact N-O 2.9Å; C234-Y295 PolarHBondContact O-N 3.02Å; V236-Y295 HydrophobicContact CB-CD2 4.39Å; V236-Y295 HydrophobicContact CB-CE2 4.26Å; V236-Y295 HydrophobicContact CG2-CD2 3.96Å; V236-Y295 HydrophobicContact CG2-CE2 4.28Å; I242-Y295 HydrophobicContact CD1-CD2 3.96Å; I242-Y295 HydrophobicContact CD1-CE1 4.19Å; I242-Y295 HydrophobicContact CD1-CE2 3.38Å; I242-Y295 HydrophobicContact CG1-CE2 3.89Å; I242-Y295 VanDerWaalsContact CG1-OH 3.31Å; I242-Y295 WeakPolarHBondContact CG1-OH 3.28Å; I245-Y295 HydrophobicContact CD1-CD1 4.05Å; I245-Y295 HydrophobicContact CD1-CD2 3.53Å; I245-Y295 HydrophobicContact CD1-CE2 4.28Å; I245-Y295 HydrophobicContact CD1-CG 3.36Å; V279-Y295 HydrophobicContact CG1-CE1 3.79Å; L282-Y295 HydrophobicContact CB-CD1 4.13Å; L282-Y295 HydrophobicContact CD1-CD1 4.06Å; L282-Y295 HydrophobicContact CD1-CG 4.47Å; T293-Y295 HydrophobicContact CG2-CD1 4.49Å; T293-Y295 HydrophobicContact CG2-CD2 4Å; T293-Y295 HydrophobicContact CG2-CE1 3.91Å; T293-Y295 HydrophobicContact CG2-CE2 3.36Å
296	W	79.6	Confident	70.1	Confident	40 Å²	40	73.8 Å²	73.8	15%	0.152	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.7	-173.8	-60.3	98.2	0	0	0	111.9	R231 P233 D285 I294 E298	R231-W296 HydrophobicContact CB-CE3 3.98Å; R231-W296 HydrophobicContact CG-CD2 4.37Å; R231-W296 HydrophobicContact CG-CE3 3.59Å; R231-W296 HydrophobicContact CG-CZ3 3.89Å; P233-W296 HydrophobicContact CB-CE3 3.93Å; P233-W296 HydrophobicContact CB-CH2 4.02Å; P233-W296 HydrophobicContact CB-CZ3 3.66Å; P233-W296 HydrophobicContact CG-CH2 4.43Å; P233-W296 HydrophobicContact CG-CZ3 3.99Å; D285-W296 PolarHBondContact OD2-NE1 3.44Å; I294-W296 HydrophobicContact CG2-CD2 4.36Å; I294-W296 HydrophobicContact CG2-CZ2 3.91Å; W296-E298 HydrophobicContact CB-CG 3.81Å
297	Y	81.4	Confident	71.7	Confident	47 Å²	47	67.3 Å²	67.3	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.7	161.6	179.3	-131.7	0	0	0	108.5	R231 I232 W247 T275 L277 W299	R231-Y297 CarbonylContact C-O 3.59Å; R231-Y297 WeakPolarHBondContact CA-O 3.25Å; I232-Y297 HydrophobicContact CD1-CD1 4.16Å; I232-Y297 HydrophobicContact CG1-CD1 4.21Å; I232-Y297 PolarHBondContact N-O 3.03Å; I232-Y297 PolarHBondContact O-N 3.35Å; W247-Y297 HydrophobicContact CD2-CD1 4.39Å; W247-Y297 HydrophobicContact CD2-CG 4.42Å; W247-Y297 HydrophobicContact CG-CD1 4.3Å; W247-Y297 HydrophobicContact CG-CG 4.23Å; T275-Y297 HydrophobicContact CG2-CE2 4.36Å; L277-Y297 HydrophobicContact CD1-CD2 3.62Å; L277-Y297 HydrophobicContact CD1-CE2 4.06Å; Y297-W299 AromaticContact CD1-CH2 3.58Å; Y297-W299 HydrophobicContact CD1-CH2 3.58Å; Y297-W299 HydrophobicContact CD1-CZ2 4.01Å; Y297-W299 AromaticContact CD1-CZ3 3.96Å; Y297-W299 HydrophobicContact CD1-CZ3 3.96Å; Y297-W299 AromaticContact CE1-CH2 3.67Å; Y297-W299 HydrophobicContact CE1-CH2 3.67Å; Y297-W299 AromaticContact CE1-CZ2 3.58Å; Y297-W299 HydrophobicContact CE1-CZ2 3.58Å; Y297-W299 HydrophobicContact CE1-CZ3 4.34Å
298	E	78	Confident	73.6	Confident	85 Å²	85	60.9 Å²	60.9	40%	0.397	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.2	-162.3	-48.3	-160.7	128.8	0	0	112	G230 R231 W296	G230-E298 CarbonylContact O-C 3.6Å; G230-E298 WeakPolarHBondContact O-CA 3.46Å; R231-E298 HydrophobicContact CB-CB 4.27Å; R231-E298 HydrophobicContact CB-CG 3.76Å; R231-E298 WeakPolarHBondContact CD-OE1 3.17Å; R231-E298 IonicContact NH1-OE1 3.56Å; W296-E298 HydrophobicContact CB-CG 3.81Å
299	W	80	Confident	75.8	Confident	32 Å²	32	60.3 Å²	60.3	12%	0.121	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.5	174.1	-68	-105.7	0	0	0	108.5	L224 P229 G230 I232 Y297 I301 V302 D306 Y310	L224-W299 HydrophobicContact CD1-CE3 4.35Å; L224-W299 HydrophobicContact CD1-CZ3 4.21Å; P229-W299 WeakPolarHBondContact CA-O 3.34Å; G230-W299 PolarHBondContact N-O 2.9Å; G230-W299 PolarHBondContact O-N 3.38Å; I232-W299 HydrophobicContact CD1-CH2 3.93Å; I232-W299 HydrophobicContact CD1-CZ3 4.29Å; I232-W299 HydrophobicContact CG1-CH2 4.15Å; I232-W299 HydrophobicContact CG1-CZ3 3.99Å; I232-W299 HydrophobicContact CG2-CZ3 4.16Å; Y297-W299 AromaticContact CD1-CH2 3.58Å; Y297-W299 HydrophobicContact CD1-CH2 3.58Å; Y297-W299 HydrophobicContact CD1-CZ2 4.01Å; Y297-W299 AromaticContact CD1-CZ3 3.96Å; Y297-W299 HydrophobicContact CD1-CZ3 3.96Å; Y297-W299 AromaticContact CE1-CH2 3.67Å; Y297-W299 HydrophobicContact CE1-CH2 3.67Å; Y297-W299 AromaticContact CE1-CZ2 3.58Å; Y297-W299 HydrophobicContact CE1-CZ2 3.58Å; Y297-W299 HydrophobicContact CE1-CZ3 4.34Å; W299-I301 VanDerWaalsContact C-N 3.31Å; W299-I301 PolarHBondContact O-N 3.01Å; W299-V302 HydrophobicContact CB-CG2 3.91Å; W299-V302 HydrophobicContact CG-CG2 4.38Å; W299-D306 HydrophobicContact CZ2-CB 4.37Å; W299-D306 VanDerWaalsContact NE1-CG 3.27Å; W299-D306 PolarHBondContact NE1-OD1 2.6Å; W299-Y310 HydrophobicContact CH2-CE1 4.33Å; W299-Y310 HydrophobicContact CZ2-CE1 4.22Å; W299-Y310 AromaticContact CZ2-CZ 3.97Å
300	D	69.2	Low	78.1	Confident	152 Å²	152	54.8 Å²	54.8	81%	0.813	30%	0.296	S	S	*	.	S	Bend	trans	-63.7	-38.8	172.2	-54.9	-55	0	0	0	111.7	P229	P229-D300 WeakPolarHBondContact CA-O 3.15Å
301	I	72.9	Confident	79.9	Confident	103 Å²	103	52.2 Å²	52.2	53%	0.528	28%	0.277	S	S	.	.	S	Bend	trans	-140.9	103.9	-176.5	-55.9	179.9	0	0	0	108.7	W299	W299-I301 VanDerWaalsContact C-N 3.31Å; W299-I301 PolarHBondContact O-N 3.01Å
302	V	72.3	Confident	81.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.			trans	-72.7	127.8	179.9	175.1	0	0	0	0	111.3	L224 N227 G228 W299 D306 V331	L224-V302 HydrophobicContact CB-CG1 3.97Å; L224-V302 HydrophobicContact CB-CG2 4.29Å; L224-V302 HydrophobicContact CD1-CG1 4.31Å; L224-V302 HydrophobicContact CD1-CG2 4.15Å; N227-V302 PolarHBondContact N-O 3.07Å; G228-V302 WeakPolarHBondContact O-CG2 3.33Å; G228-V302 PolarHBondContact O-N 3.13Å; W299-V302 HydrophobicContact CB-CG2 3.91Å; W299-V302 HydrophobicContact CG-CG2 4.38Å; V302-D306 HydrophobicContact CG1-CB 4.41Å; V302-V331 HydrophobicContact CG1-CB 4.43Å; V302-V331 HydrophobicContact CG1-CG1 3.91Å; V302-V331 HydrophobicContact CG1-CG2 3.64Å
303	K	80	Confident	81.9	Confident	123 Å²	123	49.5 Å²	49.5	54%	0.535	25%	0.254	S	S	.	.			trans	-104.1	157.8	176.5	-61.6	166.2	-172	168.7	0	110.5	S305 D306	K303-S305 WeakPolarHBondContact CB-OG 3.16Å; K303-S305 PolarHBondContact O-N 2.89Å; K303-D306 WeakPolarHBondContact CA-OD2 2.96Å; K303-D306 WeakPolarHBondContact CB-OD2 3.21Å; K303-D306 PolarHBondContact N-OD2 3.26Å; K303-D306 VanDerWaalsContact O-CB 3.31Å; K303-D306 WeakPolarHBondContact O-CB 3.43Å; K303-D306 PolarHBondContact O-N 2.78Å
304	E	78.4	Confident	82.5	Confident	105 Å²	105	48.7 Å²	48.7	49%	0.491	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-55.1	-34.1	173.6	-171.4	177.5	171.5	0	0	112.3	R226 D306 G307	R226-E304 IonicContact CZ-OE2 3.66Å; R226-E304 VanDerWaalsContact CZ-OE2 3.26Å; R226-E304 IonicContact NH1-OE2 3.75Å; R226-E304 PolarHBondContact NH1-OE2 3.32Å; R226-E304 IonicContact NH2-OE2 2.8Å; R226-E304 PolarHBondContact NH2-OE2 2.95Å; E304-D306 PolarHBondContact O-N 2.87Å; E304-G307 PolarHBondContact O-N 2.68Å
305	S	83.9	Confident	83	Confident	84 Å²	84	52.1 Å²	52.1	59%	0.587	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63.1	-16.1	173.2	54.6	0	0	0	0	114.9	K249 K303	K249-S305 PolarHBondContact NZ-O 2.81Å; K303-S305 WeakPolarHBondContact CB-OG 3.16Å; K303-S305 PolarHBondContact O-N 2.89Å
306	D	85.4	Confident	83.6	Confident	26 Å²	26	51.7 Å²	51.7	14%	0.139	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-84.8	-15	-178.8	-59.6	-42.2	0	0	0	112.3	K249 W299 V302 K303 E304 Y310	K249-D306 PolarHBondContact NZ-O 3.36Å; W299-D306 HydrophobicContact CZ2-CB 4.37Å; W299-D306 VanDerWaalsContact NE1-CG 3.27Å; W299-D306 PolarHBondContact NE1-OD1 2.6Å; V302-D306 HydrophobicContact CG1-CB 4.41Å; K303-D306 WeakPolarHBondContact CA-OD2 2.96Å; K303-D306 WeakPolarHBondContact CB-OD2 3.21Å; K303-D306 PolarHBondContact N-OD2 3.26Å; K303-D306 VanDerWaalsContact O-CB 3.31Å; K303-D306 WeakPolarHBondContact O-CB 3.43Å; K303-D306 PolarHBondContact O-N 2.78Å; E304-D306 PolarHBondContact O-N 2.87Å; D306-Y310 VanDerWaalsContact O-CE2 3.3Å; D306-Y310 WeakPolarHBondContact O-CE2 3.29Å; D306-Y310 PolarHBondContact O-OH 2.87Å
307	G	84.7	Confident	84.1	Confident	24 Å²	24	54.5 Å²	54.5	25%	0.247	28%	0.28	C	S	.	.			trans	-63.2	148.4	169.2	0	0	0	0	0	112.7	K249 E304 V329	K249-G307 WeakPolarHBondContact CE-O 3.46Å; K249-G307 PolarHBondContact NZ-O 2.92Å; E304-G307 PolarHBondContact O-N 2.68Å; G307-V329 CarbonylContact C-O 3.47Å; G307-V329 WeakPolarHBondContact CA-O 3.42Å
308	G	86.2	Confident	84.6	Confident	23 Å²	23	54.5 Å²	54.5	24%	0.237	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-165.7	-178.3	0	0	0	0	0	113.2	V329	G308-V329 PolarHBondContact N-O 3.41Å; G308-V329 PolarHBondContact O-N 3.06Å
309	I	89.2	Confident	85.2	Confident	38 Å²	38	51.2 Å²	51.2	20%	0.195	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.5	176.7	-55.4	174	0	0	0	109.2	L250 K326 L327	L250-I309 HydrophobicContact CB-CB 4.31Å; L250-I309 HydrophobicContact CD1-CB 4.41Å; L250-I309 HydrophobicContact CD1-CG2 3.87Å; L250-I309 HydrophobicContact CG-CG2 4.41Å; L250-I309 PolarHBondContact N-O 2.87Å; I309-K326 HydrophobicContact CG2-CB 3.76Å; I309-K326 HydrophobicContact CG2-CD 4.32Å; I309-K326 HydrophobicContact CG2-CG 4.02Å; I309-L327 CarbonylContact C-O 3.49Å; I309-L327 WeakPolarHBondContact CA-O 3.06Å
310	Y	89	Confident	85.9	Confident	11 Å²	11	53.5 Å²	53.5	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.8	179.9	-70	-96	0	0	0	111.7	I232 R248 K249 W299 D306 L327 V329	I232-Y310 HydrophobicContact CD1-CD1 4.07Å; I232-Y310 HydrophobicContact CD1-CD2 4.41Å; I232-Y310 HydrophobicContact CD1-CG 3.93Å; R248-Y310 WeakPolarHBondContact O-CA 3.46Å; K249-Y310 HydrophobicContact CB-CD1 4.11Å; K249-Y310 HydrophobicContact CB-CE1 3.8Å; K249-Y310 HydrophobicContact CD-CE1 4.07Å; K249-Y310 HydrophobicContact CD-CE2 4.38Å; K249-Y310 HydrophobicContact CG-CD1 4.39Å; K249-Y310 HydrophobicContact CG-CE1 3.95Å; K249-Y310 HydrophobicContact CG-CE2 4.35Å; K249-Y310 PolarHBondContact NZ-OH 2.91Å; K249-Y310 VanDerWaalsContact NZ-OH 3.14Å; W299-Y310 HydrophobicContact CH2-CE1 4.33Å; W299-Y310 HydrophobicContact CZ2-CE1 4.22Å; W299-Y310 AromaticContact CZ2-CZ 3.97Å; D306-Y310 VanDerWaalsContact O-CE2 3.3Å; D306-Y310 WeakPolarHBondContact O-CE2 3.29Å; D306-Y310 PolarHBondContact O-OH 2.87Å; Y310-L327 PolarHBondContact N-O 2.76Å; Y310-L327 PolarHBondContact O-N 3.27Å; Y310-V329 HydrophobicContact CD2-CB 3.88Å; Y310-V329 HydrophobicContact CD2-CG2 3.46Å; Y310-V329 VanDerWaalsContact CD2-CG2 3.46Å; Y310-V329 HydrophobicContact CE2-CB 3.86Å; Y310-V329 HydrophobicContact CE2-CG1 4.39Å; Y310-V329 HydrophobicContact CE2-CG2 3.85Å; Y310-V329 HydrophobicContact CG-CG2 4.38Å
311	Q	90.1	Very high	87	Confident	20 Å²	20	46.7 Å²	46.7	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.3	164.5	-62.5	179	-75.6	0	0	109.3	R248 W323 S324	R248-Q311 HydrophobicContact CG-CB 4.26Å; R248-Q311 PolarHBondContact N-O 2.68Å; R248-Q311 VanDerWaalsContact NE-OE1 3.12Å; R248-Q311 PolarHBondContact O-N 2.82Å; Q311-W323 HydrophobicContact CB-CB 4.45Å; Q311-W323 HydrophobicContact CB-CE3 3.8Å; Q311-S324 VanDerWaalsContact CA-OG 3.27Å; Q311-S324 WeakPolarHBondContact CA-OG 2.13Å; Q311-S324 PolarHBondContact NE2-O 2.85Å
312	C	90.3	Very high	87.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156.9	167.1	63.5	0	0	0	0	111.1	C234 E246 W247 S324	C234-C312 HydrophobicContact CB-CB 3.76Å; C234-C312 WeakPolarHBondContact CB-SG 3.28Å; C234-C312 WeakPolarHBondContact SG-CB 3.28Å; C234-C312 CovalentContact SG-SG 2.04Å; C234-C312 PolarHBondContact SG-SG 2.84Å; E246-C312 CarbonylContact O-C 3.38Å; E246-C312 WeakPolarHBondContact O-CA 3.46Å; W247-C312 HydrophobicContact CD2-CB 3.78Å; W247-C312 HydrophobicContact CE3-CB 3.7Å; W247-C312 HydrophobicContact CG-CB 4.48Å; W247-C312 HydrophobicContact CH2-CB 4.02Å; W247-C312 HydrophobicContact CZ2-CB 4.09Å; W247-C312 HydrophobicContact CZ3-CB 3.81Å; C312-S324 PolarHBondContact N-OG 2.77Å; C312-S324 WeakPolarHBondContact O-CB 3.32Å; C312-S324 PolarHBondContact O-N 2.82Å
313	R	91.3	Very high	88.8	Confident	64 Å²	64	48.8 Å²	48.8	24%	0.242	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.4	158.7	66.2	169.9	177.7	-167.7	-8.1	110.2	I245 E246 W320 S321 W323	I245-R313 WeakPolarHBondContact CA-O 3.31Å; E246-R313 HydrophobicContact CB-CG 3.91Å; E246-R313 VanDerWaalsContact CD-NE 3.28Å; E246-R313 PolarHBondContact N-O 3.12Å; E246-R313 PolarHBondContact O-N 3.25Å; E246-R313 IonicContact OE1-CZ 3.39Å; E246-R313 IonicContact OE1-NE 3.53Å; E246-R313 PolarHBondContact OE1-NE 3.26Å; E246-R313 IonicContact OE1-NH2 2.71Å; E246-R313 PolarHBondContact OE1-NH2 3.09Å; E246-R313 IonicContact OE2-CZ 3.3Å; E246-R313 IonicContact OE2-NE 2.77Å; E246-R313 PolarHBondContact OE2-NE 3Å; E246-R313 IonicContact OE2-NH2 3.42Å; E246-R313 PolarHBondContact OE2-NH2 3Å; R313-W320 HydrophobicContact CB-CE3 4.34Å; R313-W320 HydrophobicContact CG-CE3 3.67Å; R313-W320 HydrophobicContact CG-CZ3 3.76Å; R313-S321 WeakPolarHBondContact CA-OG 3.49Å; R313-S321 WeakPolarHBondContact CB-OG 3.41Å; R313-W323 HydrophobicContact CB-CD2 4.1Å; R313-W323 HydrophobicContact CB-CE3 3.93Å; R313-W323 HydrophobicContact CB-CZ3 4.21Å; R313-W323 HydrophobicContact CG-CD2 4.11Å; R313-W323 HydrophobicContact CG-CE3 3.95Å; R313-W323 HydrophobicContact CG-CH2 3.78Å; R313-W323 HydrophobicContact CG-CZ2 3.93Å; R313-W323 HydrophobicContact CG-CZ3 3.78Å
314	A	90.7	Very high	89.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.2	-176.5	0	0	0	0	0	110.8	P211 I213 V236 I242 L244 I245 W320 S321	P211-A314 HydrophobicContact CB-CB 4.11Å; I213-A314 HydrophobicContact CD1-CB 4.14Å; V236-A314 HydrophobicContact CG1-CB 3.9Å; V236-A314 HydrophobicContact CG2-CB 4.1Å; I242-A314 HydrophobicContact CD1-CB 4.14Å; I242-A314 HydrophobicContact CG2-CB 4.12Å; L244-A314 WeakPolarHBondContact O-CA 3.44Å; I245-A314 HydrophobicContact CG1-CB 4.18Å; A314-W320 WeakPolarHBondContact O-CA 3.01Å; A314-S321 PolarHBondContact N-OG 3.13Å; A314-S321 PolarHBondContact O-N 3.07Å; A314-S321 PolarHBondContact O-OG 2.7Å
315	R	91.5	Very high	89.8	Confident	107 Å²	107	41.1 Å²	41.1	40%	0.404	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.7	-177.6	-171.1	-169.5	173.4	169.4	-0.6	111	I242 D243 L244 G319 W320	I242-R315 CarbonylContact C-O 3.58Å; I242-R315 WeakPolarHBondContact CA-O 3.49Å; I242-R315 WeakPolarHBondContact CB-O 3.38Å; D243-R315 PolarHBondContact N-O 2.91Å; L244-R315 HydrophobicContact CB-CB 4.19Å; L244-R315 PolarHBondContact N-O 2.94Å; L244-R315 PolarHBondContact O-N 2.93Å; R315-G319 WeakPolarHBondContact CA-O 3.32Å; R315-W320 HydrophobicContact CB-CD2 3.71Å; R315-W320 HydrophobicContact CB-CE3 3.65Å; R315-W320 HydrophobicContact CB-CG 4.36Å; R315-W320 HydrophobicContact CB-CH2 4.04Å; R315-W320 HydrophobicContact CB-CZ2 4.1Å; R315-W320 HydrophobicContact CB-CZ3 3.8Å; R315-W320 HydrophobicContact CG-CD2 4Å; R315-W320 HydrophobicContact CG-CE3 4.44Å; R315-W320 HydrophobicContact CG-CG 4.25Å; R315-W320 HydrophobicContact CG-CZ2 4.4Å
316	N	91	Very high	90	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.			trans	-118.3	-173.7	159.2	70.9	9.5	0	0	0	110.6	Y209 P211 P240 S241 I242 D243 I318 G319	Y209-N316 PolarHBondContact O-ND2 3.4Å; P211-N316 HydrophobicContact CG-CB 4Å; P240-N316 HydrophobicContact CG-CB 4.4Å; P240-N316 PolarHBondContact O-ND2 3.11Å; S241-N316 WeakPolarHBondContact O-CB 3.4Å; I242-N316 HydrophobicContact CG2-CB 4.32Å; D243-N316 VanDerWaalsContact OD2-CA 3.29Å; D243-N316 WeakPolarHBondContact OD2-CA 3.4Å; N316-I318 PolarHBondContact O-N 3.41Å; N316-I318 WeakPolarHBondContact OD1-CB 3.32Å; N316-I318 PolarHBondContact OD1-N 3.1Å; N316-G319 PolarHBondContact N-O 2.69Å; N316-G319 VanDerWaalsContact N-O 3.08Å; N316-G319 PolarHBondContact O-N 3.27Å; N316-G319 PolarHBondContact OD1-N 2.85Å
317	T	90.9	Very high	90	Very high	100 Å²	100	42.2 Å²	42.2	61%	0.613	23%	0.225	S	C	*	.	S	Bend	trans	-60.8	-16	-178.8	61.7	0	0	0	0	114.8	P240 D243	P240-T317 WeakPolarHBondContact CG-OG1 3.37Å; D243-T317 PolarHBondContact OD2-N 2.87Å; D243-T317 VanDerWaalsContact OD2-N 3.13Å
318	I	91.4	Very high	90.2	Very high	47 Å²	47	45.7 Å²	45.7	24%	0.241	24%	0.235	C	C	.	.	S	Bend	trans	-85.6	-44.8	175.7	-48.6	172.9	0	0	0	111.1	Q82 Q208 Y209 I210 N316	Q82-I318 HydrophobicContact CG-CD1 4.46Å; Q208-I318 HydrophobicContact CB-CD1 3.51Å; Q208-I318 HydrophobicContact CB-CG1 4.47Å; Y209-I318 VanDerWaalsContact C-CD1 3.45Å; Y209-I318 VanDerWaalsContact N-CD1 3.31Å; Y209-I318 WeakPolarHBondContact O-CD1 3.39Å; I210-I318 HydrophobicContact CD1-CG2 4.38Å; I210-I318 HydrophobicContact CG1-CB 4.13Å; I210-I318 HydrophobicContact CG1-CG2 3.71Å; N316-I318 PolarHBondContact O-N 3.41Å; N316-I318 WeakPolarHBondContact OD1-CB 3.32Å; N316-I318 PolarHBondContact OD1-N 3.1Å
319	G	92.1	Very high	90	Very high	16 Å²	16	44.8 Å²	44.8	17%	0.165	22%	0.224	C	C	.	.			trans	174.4	-173.9	-174.2	0	0	0	0	0	115.2	R315 N316	R315-G319 WeakPolarHBondContact CA-O 3.32Å; N316-G319 PolarHBondContact N-O 2.69Å; N316-G319 VanDerWaalsContact N-O 3.08Å; N316-G319 PolarHBondContact O-N 3.27Å; N316-G319 PolarHBondContact OD1-N 2.85Å
320	W	93.5	Very high	89.7	Confident	79 Å²	79	44.9 Å²	44.9	30%	0.299	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-92.1	141	173.7	-75.3	99.4	0	0	0	111.1	I210 L244 E246 R313 A314 R315	I210-W320 WeakPolarHBondContact CG2-O 2.79Å; L244-W320 HydrophobicContact CB-CH2 4.24Å; L244-W320 HydrophobicContact CD1-CZ2 4.44Å; E246-W320 HydrophobicContact CB-CH2 3.91Å; E246-W320 HydrophobicContact CB-CZ3 3.85Å; R313-W320 HydrophobicContact CB-CE3 4.34Å; R313-W320 HydrophobicContact CG-CE3 3.67Å; R313-W320 HydrophobicContact CG-CZ3 3.76Å; A314-W320 WeakPolarHBondContact O-CA 3.01Å; R315-W320 HydrophobicContact CB-CD2 3.71Å; R315-W320 HydrophobicContact CB-CE3 3.65Å; R315-W320 HydrophobicContact CB-CG 4.36Å; R315-W320 HydrophobicContact CB-CH2 4.04Å; R315-W320 HydrophobicContact CB-CZ2 4.1Å; R315-W320 HydrophobicContact CB-CZ3 3.8Å; R315-W320 HydrophobicContact CG-CD2 4Å; R315-W320 HydrophobicContact CG-CE3 4.44Å; R315-W320 HydrophobicContact CG-CG 4.25Å; R315-W320 HydrophobicContact CG-CZ2 4.4Å
321	S	92.9	Very high	89.4	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.063	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-61	164.3	164.6	73.2	0	0	0	0	111.9	P211 I213 R313 A314	P211-S321 WeakPolarHBondContact O-CA 2.96Å; P211-S321 WeakPolarHBondContact O-CB 2.12Å; I213-S321 WeakPolarHBondContact CD1-OG 2.11Å; R313-S321 WeakPolarHBondContact CA-OG 3.49Å; R313-S321 WeakPolarHBondContact CB-OG 3.41Å; A314-S321 PolarHBondContact N-OG 3.13Å; A314-S321 PolarHBondContact O-N 3.07Å; A314-S321 PolarHBondContact O-OG 2.7Å
322	S	91.5	Very high	89	Confident	91 Å²	91	44.6 Å²	44.6	64%	0.636	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-59.1	162.8	154	50.8	0	0	0	0	110.8
323	W	91.1	Very high	88.4	Confident	56 Å²	56	45.5 Å²	45.5	21%	0.212	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-70.8	139.5	169	-71.9	97	0	0	0	110.2	E246 R248 Q311 R313	E246-W323 HydrophobicContact CB-CH2 4.5Å; E246-W323 HydrophobicContact CG-CH2 3.86Å; E246-W323 WeakPolarHBondContact O-CZ3 2.1Å; E246-W323 VanDerWaalsContact OE1-CH2 3.27Å; E246-W323 WeakPolarHBondContact OE1-CH2 3.31Å; E246-W323 WeakPolarHBondContact OE1-CZ2 3.48Å; R248-W323 HydrophobicContact CB-CH2 3.86Å; R248-W323 HydrophobicContact CB-CZ3 3.93Å; R248-W323 HydrophobicContact CG-CE3 3.96Å; R248-W323 HydrophobicContact CG-CH2 3.72Å; R248-W323 HydrophobicContact CG-CZ2 4.41Å; R248-W323 HydrophobicContact CG-CZ3 3.47Å; R248-W323 VanDerWaalsContact CG-CZ3 3.47Å; Q311-W323 HydrophobicContact CB-CB 4.45Å; Q311-W323 HydrophobicContact CB-CE3 3.8Å; R313-W323 HydrophobicContact CB-CD2 4.1Å; R313-W323 HydrophobicContact CB-CE3 3.93Å; R313-W323 HydrophobicContact CB-CZ3 4.21Å; R313-W323 HydrophobicContact CG-CD2 4.11Å; R313-W323 HydrophobicContact CG-CE3 3.95Å; R313-W323 HydrophobicContact CG-CH2 3.78Å; R313-W323 HydrophobicContact CG-CZ2 3.93Å; R313-W323 HydrophobicContact CG-CZ3 3.78Å
324	S	90.4	Very high	87.6	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.028	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-54.1	162.6	176.9	74.2	0	0	0	0	112.8	Q311 C312	Q311-S324 VanDerWaalsContact CA-OG 3.27Å; Q311-S324 WeakPolarHBondContact CA-OG 2.13Å; Q311-S324 PolarHBondContact NE2-O 2.85Å; C312-S324 PolarHBondContact N-OG 2.77Å; C312-S324 WeakPolarHBondContact O-CB 3.32Å; C312-S324 PolarHBondContact O-N 2.82Å
325	P	89.2	Confident	87.2	Confident	64 Å²	64	47.2 Å²	47.2	42%	0.416	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-48.4	152.2	159.5	-26.3	35.5	0	0	0	112	L215 L327	L215-P325 HydrophobicContact CB-CB 4.12Å; L215-P325 HydrophobicContact CB-CG 3.93Å; L215-P325 HydrophobicContact CD2-CB 3.99Å; P325-L327 PolarHBondContact O-N 2.9Å; P325-L327 VanDerWaalsContact O-N 3.17Å
326	K	88.4	Confident	86.9	Confident	132 Å²	132	48.1 Å²	48.1	57%	0.574	25%	0.247	S	C	*	.			trans	-67.7	110.5	-179.9	-74.4	-179.9	-179.9	177.2	0	110.1	N220 L250 I309	N220-K326 PolarHBondContact ND2-O 3Å; L250-K326 HydrophobicContact CD1-CD 4.44Å; L250-K326 HydrophobicContact CD1-CG 4.32Å; I309-K326 HydrophobicContact CG2-CB 3.76Å; I309-K326 HydrophobicContact CG2-CD 4.32Å; I309-K326 HydrophobicContact CG2-CG 4.02Å
327	L	85.3	Confident	86.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.5	176.3	176.3	57.8	0	0	0	109.6	L215 N220 I222 I232 W247 I309 Y310 P325 V329	L215-L327 HydrophobicContact CD1-CD2 4.41Å; L215-L327 HydrophobicContact CD2-CB 3.98Å; L215-L327 HydrophobicContact CD2-CD1 4.21Å; N220-L327 HydrophobicContact CB-CD1 4.5Å; I222-L327 HydrophobicContact CD1-CD1 3.85Å; I222-L327 HydrophobicContact CD1-CD2 4.02Å; I222-L327 HydrophobicContact CD1-CG 4.41Å; I222-L327 HydrophobicContact CG1-CD1 3.92Å; I232-L327 HydrophobicContact CB-CD2 4.05Å; I232-L327 HydrophobicContact CD1-CD2 4.21Å; I232-L327 HydrophobicContact CG2-CD2 4.45Å; W247-L327 HydrophobicContact CZ3-CD2 4.43Å; I309-L327 CarbonylContact C-O 3.49Å; I309-L327 WeakPolarHBondContact CA-O 3.06Å; Y310-L327 PolarHBondContact N-O 2.76Å; Y310-L327 PolarHBondContact O-N 3.27Å; P325-L327 PolarHBondContact O-N 2.9Å; P325-L327 VanDerWaalsContact O-N 3.17Å; L327-V329 HydrophobicContact CG-CG2 4.3Å
328	Q	87.5	Confident	86.4	Confident	97 Å²	97	50.2 Å²	50.2	45%	0.453	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.5	175.6	179.7	174.8	-3	0	0	109.6	N220 P221 I222 I330	N220-Q328 PolarHBondContact OD1-N 3.35Å; P221-Q328 CarbonylContact C-O 3.36Å; P221-Q328 WeakPolarHBondContact CA-O 3.43Å; P221-Q328 HydrophobicContact CB-CB 3.95Å; P221-Q328 HydrophobicContact CB-CG 4.01Å; P221-Q328 VanDerWaalsContact CB-O 3.3Å; P221-Q328 WeakPolarHBondContact CB-O 3.34Å; I222-Q328 PolarHBondContact N-O 3.18Å; Q328-I330 HydrophobicContact CG-CD1 4.38Å; Q328-I330 HydrophobicContact CG-CG1 4.05Å
329	V	83.7	Confident	86.2	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.8	177.3	178	0	0	0	0	108.6	I222 L224 I232 G307 G308 Y310 L327	I222-V329 WeakPolarHBondContact O-CA 3.38Å; L224-V329 HydrophobicContact CD1-CG1 3.64Å; L224-V329 HydrophobicContact CG-CG1 3.99Å; I232-V329 HydrophobicContact CD1-CG2 4.46Å; I232-V329 HydrophobicContact CG2-CG2 3.87Å; G307-V329 CarbonylContact C-O 3.47Å; G307-V329 WeakPolarHBondContact CA-O 3.42Å; G308-V329 PolarHBondContact N-O 3.41Å; G308-V329 PolarHBondContact O-N 3.06Å; Y310-V329 HydrophobicContact CD2-CB 3.88Å; Y310-V329 HydrophobicContact CD2-CG2 3.46Å; Y310-V329 VanDerWaalsContact CD2-CG2 3.46Å; Y310-V329 HydrophobicContact CE2-CB 3.86Å; Y310-V329 HydrophobicContact CE2-CG1 4.39Å; Y310-V329 HydrophobicContact CE2-CG2 3.85Å; Y310-V329 HydrophobicContact CG-CG2 4.38Å; L327-V329 HydrophobicContact CG-CG2 4.3Å
330	I	82.8	Confident	86	Confident	40 Å²	40	60 Å²	60	21%	0.205	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.1	-179	-58.2	175.1	0	0	0	107.8	P221 I222 Y223 L224 Q328 N332	P221-I330 HydrophobicContact CB-CD1 3.76Å; P221-I330 HydrophobicContact CB-CG1 4.15Å; P221-I330 HydrophobicContact CG-CD1 3.83Å; I222-I330 PolarHBondContact O-N 3.44Å; Y223-I330 WeakPolarHBondContact CA-O 3.28Å; Y223-I330 HydrophobicContact CD1-CB 3.69Å; Y223-I330 HydrophobicContact CD1-CD1 4.31Å; Y223-I330 HydrophobicContact CD1-CG2 3.89Å; Y223-I330 HydrophobicContact CE1-CB 3.86Å; Y223-I330 HydrophobicContact CE1-CD1 3.61Å; Y223-I330 HydrophobicContact CE1-CG1 4.28Å; Y223-I330 HydrophobicContact CE1-CG2 3.92Å; L224-I330 PolarHBondContact N-O 3.45Å; Q328-I330 HydrophobicContact CG-CD1 4.38Å; Q328-I330 HydrophobicContact CG-CG1 4.05Å; I330-N332 PolarHBondContact O-N 3.06Å
331	V	81.4	Confident	85.7	Confident	16 Å²	16	56.4 Å²	56.4	10%	0.097	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115	173.5	177.5	0	0	0	0	108.3	L224 R226 V302 Q362	L224-V331 WeakPolarHBondContact O-CA 3.23Å; R226-V331 HydrophobicContact CB-CG1 3.86Å; R226-V331 HydrophobicContact CG-CG1 4.41Å; V302-V331 HydrophobicContact CG1-CB 4.43Å; V302-V331 HydrophobicContact CG1-CG1 3.91Å; V302-V331 HydrophobicContact CG1-CG2 3.64Å; V331-Q362 VanDerWaalsContact O-CG 3.31Å; V331-Q362 WeakPolarHBondContact O-CG 3.3Å
332	N	81.6	Confident	85.3	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.053	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	153.7	177.3	-77.9	-19.2	0	0	0	110.4	Y223 L224 R226 I330 Q362 I486	Y223-N332 WeakPolarHBondContact CB-ND2 3.45Å; Y223-N332 WeakPolarHBondContact CD1-ND2 3.33Å; L224-N332 PolarHBondContact O-N 3.15Å; R226-N332 WeakPolarHBondContact CB-O 3.44Å; R226-N332 PolarHBondContact N-O 3.33Å; I330-N332 PolarHBondContact O-N 3.06Å; N332-Q362 CarbonylContact C-O 3.6Å; N332-Q362 VanDerWaalsContact CA-O 3.28Å; N332-Q362 WeakPolarHBondContact CA-O 3.44Å; N332-Q362 WeakPolarHBondContact CB-O 3.42Å; N332-Q362 PolarHBondContact OD1-O 2.75Å; N332-I486 HydrophobicContact CB-CD1 4.11Å; N332-I486 HydrophobicContact CB-CG1 4.05Å; N332-I486 WeakPolarHBondContact ND2-CD1 3.18Å
333	E	77.7	Confident	84.7	Confident	20 Å²	20	62.4 Å²	62.4	9%	0.093	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.8	179.8	-172.8	176.6	150.1	0	0	109.7	R226 R336 Y360 Q362 N484	R226-E333 HydrophobicContact CB-CB 4.24Å; R226-E333 HydrophobicContact CB-CG 4.34Å; R226-E333 VanDerWaalsContact CD-CD 3.48Å; R226-E333 WeakPolarHBondContact CD-OE2 3.26Å; R226-E333 IonicContact CZ-OE2 3.36Å; R226-E333 IonicContact NE-OE2 3.97Å; R226-E333 IonicContact NH1-OE2 3.46Å; R226-E333 PolarHBondContact NH1-OE2 3.01Å; E333-R336 IonicContact OE1-CZ 3.9Å; E333-R336 IonicContact OE1-NE 2.66Å; E333-R336 PolarHBondContact OE1-NE 3.07Å; E333-R336 IonicContact OE1-NH2 2.71Å; E333-R336 PolarHBondContact OE1-NH2 3.35Å; E333-Y360 WeakPolarHBondContact OE1-CD1 3.49Å; E333-Y360 WeakPolarHBondContact OE2-CE1 3.19Å; E333-Q362 HydrophobicContact CB-CB 4.06Å; E333-Q362 PolarHBondContact N-O 2.95Å; E333-Q362 PolarHBondContact O-N 2.94Å; E333-N484 PolarHBondContact O-ND2 3.16Å
334	L	75.2	Confident	84.2	Confident	92 Å²	92	62.1 Å²	62.1	48%	0.482	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	144.6	173.5	-78.3	166.5	0	0	0	110.2	R336 I486	L334-R336 PolarHBondContact O-N 2.86Å; L334-I486 HydrophobicContact CD2-CB 4.44Å; L334-I486 HydrophobicContact CD2-CG2 4.01Å; L334-I486 HydrophobicContact CG-CG2 4.47Å
335	P	83.2	Confident	83.9	Confident	8 Å²	8	63 Å²	63	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	125.8	178.2	-28.9	38.9	0	0	0	112.2	Y360 P365 A482 N484 T489	P335-Y360 CarbonylContact C-O 3.56Å; P335-Y360 WeakPolarHBondContact CA-O 3.3Å; P335-P365 HydrophobicContact CB-CB 3.98Å; P335-P365 HydrophobicContact CB-CG 4.33Å; P335-P365 HydrophobicContact CG-CB 4.04Å; P335-A482 HydrophobicContact CB-CB 4.09Å; P335-A482 VanDerWaalsContact CB-O 3.28Å; P335-A482 WeakPolarHBondContact CB-O 3.43Å; P335-N484 WeakPolarHBondContact CD-OD1 3.36Å; P335-N484 HydrophobicContact CG-CB 4.08Å; P335-T489 HydrophobicContact CB-CG2 3.9Å; P335-T489 WeakPolarHBondContact O-CB 3.2Å; P335-T489 WeakPolarHBondContact O-CG2 3.45Å
336	R	83.9	Confident	83.5	Confident	125 Å²	125	65.1 Å²	65.1	47%	0.472	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139	172.8	60.9	165.9	168.8	112.3	4.8	111	E333 L334 I338 A359 Y360	E333-R336 IonicContact OE1-CZ 3.9Å; E333-R336 IonicContact OE1-NE 2.66Å; E333-R336 PolarHBondContact OE1-NE 3.07Å; E333-R336 IonicContact OE1-NH2 2.71Å; E333-R336 PolarHBondContact OE1-NH2 3.35Å; L334-R336 PolarHBondContact O-N 2.86Å; R336-I338 PolarHBondContact O-N 3.45Å; R336-A359 CarbonylContact O-C 3.55Å; R336-A359 WeakPolarHBondContact O-CA 3.4Å; R336-A359 WeakPolarHBondContact O-CB 3.33Å; R336-Y360 PolarHBondContact N-O 2.83Å; R336-Y360 PolarHBondContact O-N 3.47Å
337	F	85.8	Confident	83.1	Confident	43 Å²	43	58.9 Å²	58.9	19%	0.189	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127	177.4	-63.2	-71	0	0	0	111.1	K340 C357 E358 A359 A482 T489 T491	F337-K340 HydrophobicContact CB-CB 4.09Å; F337-K340 HydrophobicContact CG-CB 4.17Å; F337-C357 VanDerWaalsContact CE1-SG 3.56Å; F337-E358 CarbonylContact C-O 3.57Å; F337-E358 WeakPolarHBondContact CA-O 3.22Å; F337-A359 HydrophobicContact CD1-CB 4.18Å; F337-A482 HydrophobicContact CE1-CB 4.06Å; F337-A482 HydrophobicContact CZ-CB 4.48Å; F337-T489 HydrophobicContact CD2-CG2 3.81Å; F337-T489 HydrophobicContact CE1-CG2 4.13Å; F337-T489 HydrophobicContact CE2-CG2 3.36Å; F337-T489 WeakPolarHBondContact CE2-OG1 3.42Å; F337-T489 HydrophobicContact CG-CG2 4.36Å; F337-T489 HydrophobicContact CZ-CG2 3.55Å; F337-T491 HydrophobicContact CD1-CG2 4.26Å; F337-T491 HydrophobicContact CD2-CG2 4.32Å; F337-T491 HydrophobicContact CE1-CG2 3.73Å; F337-T491 HydrophobicContact CE2-CG2 3.78Å; F337-T491 HydrophobicContact CZ-CG2 3.44Å; F337-T491 VanDerWaalsContact CZ-CG2 3.44Å
338	I	86.7	Confident	82.6	Confident	101 Å²	101	62 Å²	62	52%	0.518	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-48	164.3	-53.1	164.1	0	0	0	107.7	R336 E358	R336-I338 PolarHBondContact O-N 3.45Å; I338-E358 HydrophobicContact CB-CB 4.23Å; I338-E358 HydrophobicContact CD1-CB 4.48Å; I338-E358 PolarHBondContact N-O 3.27Å
339	R	87.4	Confident	82	Confident	131 Å²	131	59.3 Å²	59.3	49%	0.494	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.6	174.5	-62.4	172.7	72	-149	10.2	108.6	P356 C357 E358	R339-P356 HydrophobicContact CB-CB 4.15Å; R339-C357 WeakPolarHBondContact O-CA 3.31Å; R339-E358 HydrophobicContact CB-CB 4.24Å; R339-E358 WeakPolarHBondContact CD-OE1 3.49Å; R339-E358 WeakPolarHBondContact CD-OE2 3.28Å; R339-E358 IonicContact CZ-OE1 2.77Å; R339-E358 PolarHBondContact N-O 2.85Å; R339-E358 VanDerWaalsContact N-O 3.13Å; R339-E358 IonicContact NE-OE1 2.63Å; R339-E358 IonicContact NH1-OE1 3.58Å; R339-E358 PolarHBondContact NH1-OE1 2.91Å; R339-E358 PolarHBondContact O-N 3.08Å; R339-E358 VanDerWaalsContact O-O 3.08Å
340	K	87	Confident	81.3	Confident	137 Å²	137	62.5 Å²	62.5	60%	0.596	31%	0.306	S	S	*	.			trans	-127.9	153.4	177	59.8	-178.6	-179.7	-177	0	108.2	F337 P356 T491	F337-K340 HydrophobicContact CB-CB 4.09Å; F337-K340 HydrophobicContact CG-CB 4.17Å; K340-P356 CarbonylContact C-O 3.5Å; K340-P356 WeakPolarHBondContact CA-O 3.42Å; K340-T491 HydrophobicContact CB-CG2 4.08Å
341	P	87.6	Confident	80.7	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.032	32%	0.318	C	S	.	.			trans	-66.4	160.9	172	32.8	-37.2	0	0	0	110	L355 P356 W369 T491 V493	P341-L355 HydrophobicContact CB-CB 4.32Å; P341-L355 HydrophobicContact CB-CD2 4.22Å; P341-P356 VanDerWaalsContact CD-O 3.24Å; P341-P356 WeakPolarHBondContact CD-O 3.3Å; P341-P356 VanDerWaalsContact N-O 3.1Å; P341-W369 HydrophobicContact CG-CH2 4.16Å; P341-T491 HydrophobicContact CG-CG2 4.36Å; P341-V493 HydrophobicContact CB-CB 3.82Å; P341-V493 HydrophobicContact CB-CG1 3.86Å; P341-V493 HydrophobicContact CB-CG2 4.36Å; P341-V493 HydrophobicContact CG-CB 3.81Å; P341-V493 HydrophobicContact CG-CG1 3.75Å
342	K	84.6	Confident	80.3	Confident	129 Å²	129	67.1 Å²	67.1	56%	0.561	34%	0.337	S	S	*	.			trans	-63.4	153.8	168.4	-59.4	-174	-152.3	82	0	109.5	V344 E345 V493	K342-V344 WeakPolarHBondContact CB-O 3.4Å; K342-V344 PolarHBondContact O-N 2.93Å; K342-E345 HydrophobicContact CB-CG 4.12Å; K342-E345 VanDerWaalsContact CG-OE1 3.23Å; K342-E345 WeakPolarHBondContact CG-OE1 3.01Å; K342-E345 IonicContact NZ-OE1 2.77Å; K342-E345 PolarHBondContact NZ-OE1 3.44Å; K342-E345 IonicContact NZ-OE2 3.53Å; K342-E345 PolarHBondContact NZ-OE2 2.73Å; K342-V493 VanDerWaalsContact O-CB 3.26Å; K342-V493 WeakPolarHBondContact O-CB 3.14Å; K342-V493 WeakPolarHBondContact O-CG2 3.4Å
343	S	78.3	Confident	80.2	Confident	96 Å²	96	67.9 Å²	67.9	67%	0.671	34%	0.341	S	S	*	.	S	Bend	trans	-59.8	-29.3	178.9	-48	0	0	0	0	113.1	E494	S343-E494 PolarHBondContact O-N 3.38Å
344	V	80.4	Confident	80.5	Confident	50 Å²	50	71.2 Å²	71.2	30%	0.303	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.6	170.2	-177.7	0	0	0	0	107.6	K342 F346 E494 K496	K342-V344 WeakPolarHBondContact CB-O 3.4Å; K342-V344 PolarHBondContact O-N 2.93Å; V344-F346 HydrophobicContact CG1-CE2 4.38Å; V344-F346 HydrophobicContact CG1-CZ 4.32Å; V344-E494 WeakPolarHBondContact CA-O 3.06Å; V344-E494 HydrophobicContact CG2-CB 4.41Å; V344-K496 HydrophobicContact CG1-CD 3.88Å; V344-K496 HydrophobicContact CG1-CG 4.26Å
345	E	84.4	Confident	81.2	Confident	24 Å²	24	66.8 Å²	66.8	11%	0.112	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.7	167	-69.6	-73.4	-165	0	0	109.6	K342 L353 L355 V493 E494 I495 K496	K342-E345 HydrophobicContact CB-CG 4.12Å; K342-E345 VanDerWaalsContact CG-OE1 3.23Å; K342-E345 WeakPolarHBondContact CG-OE1 3.01Å; K342-E345 IonicContact NZ-OE1 2.77Å; K342-E345 PolarHBondContact NZ-OE1 3.44Å; K342-E345 IonicContact NZ-OE2 3.53Å; K342-E345 PolarHBondContact NZ-OE2 2.73Å; E345-L353 HydrophobicContact CB-CD1 4.47Å; E345-L353 HydrophobicContact CB-CD2 4.11Å; E345-L355 HydrophobicContact CB-CD2 4.27Å; E345-L355 HydrophobicContact CG-CD2 3.89Å; E345-V493 HydrophobicContact CB-CG2 3.92Å; E345-V493 HydrophobicContact CG-CG2 3.78Å; E345-E494 PolarHBondContact N-O 3.31Å; E345-E494 VanDerWaalsContact N-O 3.09Å; E345-I495 WeakPolarHBondContact O-CA 3.33Å; E345-K496 PolarHBondContact O-N 2.86Å
346	F	81.3	Confident	81.3	Confident	108 Å²	108	67.5 Å²	67.5	47%	0.474	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.9	176	-66.4	-81.1	0	0	0	109.8	V344 N348 K496 D498	V344-F346 HydrophobicContact CG1-CE2 4.38Å; V344-F346 HydrophobicContact CG1-CZ 4.32Å; F346-N348 PolarHBondContact O-N 3.1Å; F346-K496 CarbonylContact C-O 3.56Å; F346-K496 WeakPolarHBondContact CA-O 3.4Å; F346-K496 HydrophobicContact CD1-CB 3.82Å; F346-K496 HydrophobicContact CE1-CB 3.79Å; F346-K496 HydrophobicContact CE1-CD 4.41Å; F346-D498 HydrophobicContact CB-CB 4.32Å; F346-D498 HydrophobicContact CD1-CB 4.4Å
347	V	79	Confident	81.5	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.2	173.1	67.5	0	0	0	0	109.5	L353 I466 T468 A471 V474 T475 I495 K496	V347-L353 HydrophobicContact CB-CD2 4.05Å; V347-L353 HydrophobicContact CG2-CD2 4.37Å; V347-I466 HydrophobicContact CG2-CG2 4.09Å; V347-T468 HydrophobicContact CG2-CG2 4.43Å; V347-A471 HydrophobicContact CG1-CB 3.91Å; V347-V474 HydrophobicContact CB-CG2 4.32Å; V347-V474 HydrophobicContact CG1-CG2 3.83Å; V347-V474 HydrophobicContact CG2-CG2 3.92Å; V347-T475 HydrophobicContact CG1-CG2 4.35Å; V347-I495 HydrophobicContact CB-CG2 3.55Å; V347-I495 HydrophobicContact CG1-CG2 3.36Å; V347-K496 PolarHBondContact N-O 3.5Å
348	N	75.3	Confident	81.7	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.353	32%	0.319	S	S	.	.			trans	-82	123.9	167.8	-83.3	-18.4	0	0	0	110.1	F346 N350 V351 D498	F346-N348 PolarHBondContact O-N 3.1Å; N348-N350 PolarHBondContact O-N 3.48Å; N348-V351 HydrophobicContact CB-CB 3.88Å; N348-V351 HydrophobicContact CB-CG2 3.65Å; N348-V351 WeakPolarHBondContact O-CB 3.39Å; N348-V351 PolarHBondContact O-N 3.2Å; N348-D498 VanDerWaalsContact OD1-CB 3.28Å; N348-D498 WeakPolarHBondContact OD1-CB 3.39Å
349	S	74.8	Confident	81.7	Confident	41 Å²	41	57.5 Å²	57.5	29%	0.287	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-24.8	115.5	156.4	-73.3	0	0	0	0	113.6	V351 Q652	S349-V351 PolarHBondContact O-N 2.95Å; S349-V351 VanDerWaalsContact O-N 3.16Å; S349-Q652 VanDerWaalsContact CA-OE1 3.31Å; S349-Q652 PolarHBondContact OG-NE2 3.04Å
350	N	68.6	Low	81.7	Confident	70 Å²	70	55 Å²	55	37%	0.374	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	13.2	-179.8	-78.7	-14.4	0	0	0	116.2	N348 Y467 T468 W469 Q652	N348-N350 PolarHBondContact O-N 3.48Å; N350-Y467 WeakPolarHBondContact O-CE2 3.44Å; N350-T468 PolarHBondContact N-O 2.92Å; N350-T468 PolarHBondContact OD1-O 2.89Å; N350-W469 VanDerWaalsContact OD1-CA 3.29Å; N350-W469 WeakPolarHBondContact OD1-CA 3.48Å; N350-Q652 PolarHBondContact ND2-OE1 3Å; N350-Q652 VanDerWaalsContact ND2-OE1 3.13Å; N350-Q652 PolarHBondContact OD1-OE1 3.34Å
351	V	71.3	Confident	81.4	Confident	74 Å²	74	48.6 Å²	48.6	45%	0.448	26%	0.263	S	S	.	.			trans	-100.7	130.4	170.8	-178	0	0	0	0	109.1	N348 S349 L353	N348-V351 HydrophobicContact CB-CB 3.88Å; N348-V351 HydrophobicContact CB-CG2 3.65Å; N348-V351 WeakPolarHBondContact O-CB 3.39Å; N348-V351 PolarHBondContact O-N 3.2Å; S349-V351 PolarHBondContact O-N 2.95Å; S349-V351 VanDerWaalsContact O-N 3.16Å; V351-L353 PolarHBondContact O-N 3.33Å
352	P	72.6	Confident	81	Confident	78 Å²	78	52.4 Å²	52.4	51%	0.506	28%	0.281	S	S	.	.			trans	-70.4	111.5	173.8	27.9	-32.8	0	0	0	110.6	L465 I466 Y467	P352-L465 HydrophobicContact CB-CD1 3.83Å; P352-I466 WeakPolarHBondContact CA-O 3.38Å; P352-Y467 HydrophobicContact CB-CD2 4.07Å
353	L	79.8	Confident	81.1	Confident	27 Å²	27	48.8 Å²	48.8	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.9	172.4	172.3	62.4	0	0	0	109.2	E345 V347 V351 L355 I466	E345-L353 HydrophobicContact CB-CD1 4.47Å; E345-L353 HydrophobicContact CB-CD2 4.11Å; V347-L353 HydrophobicContact CB-CD2 4.05Å; V347-L353 HydrophobicContact CG2-CD2 4.37Å; V351-L353 PolarHBondContact O-N 3.33Å; L353-L355 HydrophobicContact CD1-CD2 4.4Å; L353-L355 HydrophobicContact CD2-CD2 4.1Å; L353-L355 HydrophobicContact CG-CD2 4.11Å; L353-I466 HydrophobicContact CB-CB 4.3Å; L353-I466 PolarHBondContact N-O 3.37Å; L353-I466 PolarHBondContact O-N 3.48Å
354	I	84.2	Confident	81.3	Confident	89 Å²	89	52.4 Å²	52.4	46%	0.456	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.7	171.9	-60.4	174.5	0	0	0	108.7	P356 M459 L464 L465	I354-P356 WeakPolarHBondContact O-CD 3.49Å; I354-M459 HydrophobicContact CD1-CE 4.47Å; I354-M459 HydrophobicContact CD1-SD 4.35Å; I354-M459 HydrophobicContact CG1-SD 4.3Å; I354-M459 HydrophobicContact CG2-SD 3.97Å; I354-L464 CarbonylContact C-O 3.57Å; I354-L464 WeakPolarHBondContact CA-O 3.47Å; I354-L465 HydrophobicContact CG1-CD1 4Å
355	L	88.3	Confident	81.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	102.6	171.5	-59.7	178	0	0	0	109.1	P341 E345 L353 C357 W369 S463 L464 I466 V493 I495	P341-L355 HydrophobicContact CB-CB 4.32Å; P341-L355 HydrophobicContact CB-CD2 4.22Å; E345-L355 HydrophobicContact CB-CD2 4.27Å; E345-L355 HydrophobicContact CG-CD2 3.89Å; L353-L355 HydrophobicContact CD1-CD2 4.4Å; L353-L355 HydrophobicContact CD2-CD2 4.1Å; L353-L355 HydrophobicContact CG-CD2 4.11Å; L355-C357 PolarHBondContact O-N 3.23Å; L355-W369 HydrophobicContact CB-CH2 3.82Å; L355-W369 HydrophobicContact CB-CZ2 4.18Å; L355-W369 HydrophobicContact CD1-CH2 4.13Å; L355-W369 HydrophobicContact CD1-CZ3 4.32Å; L355-S463 WeakPolarHBondContact O-CA 3.4Å; L355-S463 VanDerWaalsContact O-CB 3.29Å; L355-S463 WeakPolarHBondContact O-CB 3.36Å; L355-L464 HydrophobicContact CB-CB 4.25Å; L355-L464 HydrophobicContact CD1-CB 4.35Å; L355-L464 HydrophobicContact CD1-CD1 4.36Å; L355-L464 PolarHBondContact N-O 2.97Å; L355-L464 PolarHBondContact O-N 3.05Å; L355-I466 HydrophobicContact CD1-CD1 3.53Å; L355-I466 HydrophobicContact CD1-CG1 4.45Å; L355-I466 HydrophobicContact CG-CD1 4.13Å; L355-V493 HydrophobicContact CD1-CG1 3.76Å; L355-V493 HydrophobicContact CD2-CG1 4.15Å; L355-V493 HydrophobicContact CD2-CG2 4.25Å; L355-I495 HydrophobicContact CD1-CD1 3.94Å
356	P	86.9	Confident	81.8	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.143	29%	0.287	C	S	.	.			trans	-70.3	128	-177.4	28.9	-34.6	0	0	0	110.7	R339 K340 P341 I354 S463	R339-P356 HydrophobicContact CB-CB 4.15Å; K340-P356 CarbonylContact C-O 3.5Å; K340-P356 WeakPolarHBondContact CA-O 3.42Å; P341-P356 VanDerWaalsContact CD-O 3.24Å; P341-P356 WeakPolarHBondContact CD-O 3.3Å; P341-P356 VanDerWaalsContact N-O 3.1Å; I354-P356 WeakPolarHBondContact O-CD 3.49Å; P356-S463 WeakPolarHBondContact CA-OG 3.37Å
357	C	88.3	Confident	82	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.			trans	-140.4	97.8	168.2	-169.1	0	0	0	0	112	F337 R339 L355 I367 W369 S463 C480	F337-C357 VanDerWaalsContact CE1-SG 3.56Å; R339-C357 WeakPolarHBondContact O-CA 3.31Å; L355-C357 PolarHBondContact O-N 3.23Å; C357-I367 HydrophobicContact CB-CG2 4.46Å; C357-W369 HydrophobicContact CB-CH2 4.23Å; C357-W369 HydrophobicContact CB-CZ2 3.38Å; C357-S463 PolarHBondContact N-OG 3.39Å; C357-C480 HydrophobicContact CB-CB 3.82Å; C357-C480 WeakPolarHBondContact CB-SG 3.28Å; C357-C480 WeakPolarHBondContact SG-CB 3.41Å; C357-C480 CovalentContact SG-SG 2.02Å; C357-C480 PolarHBondContact SG-SG 2.77Å
358	E	88.8	Confident	82.3	Confident	48 Å²	48	54.2 Å²	54.2	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.2	178.6	-67.1	165.5	-143.4	0	0	108.4	F337 I338 R339	F337-E358 CarbonylContact C-O 3.57Å; F337-E358 WeakPolarHBondContact CA-O 3.22Å; I338-E358 HydrophobicContact CB-CB 4.23Å; I338-E358 HydrophobicContact CD1-CB 4.48Å; I338-E358 PolarHBondContact N-O 3.27Å; R339-E358 HydrophobicContact CB-CB 4.24Å; R339-E358 WeakPolarHBondContact CD-OE1 3.49Å; R339-E358 WeakPolarHBondContact CD-OE2 3.28Å; R339-E358 IonicContact CZ-OE1 2.77Å; R339-E358 PolarHBondContact N-O 2.85Å; R339-E358 VanDerWaalsContact N-O 3.13Å; R339-E358 IonicContact NE-OE1 2.63Å; R339-E358 IonicContact NH1-OE1 3.58Å; R339-E358 PolarHBondContact NH1-OE1 2.91Å; R339-E358 PolarHBondContact O-N 3.08Å; R339-E358 VanDerWaalsContact O-O 3.08Å
359	A	86.8	Confident	82.8	Confident	12 Å²	12	52.2 Å²	52.2	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.5	178.5	0	0	0	0	0	112.1	R336 F337 P365 I367 A482	R336-A359 CarbonylContact O-C 3.55Å; R336-A359 WeakPolarHBondContact O-CA 3.4Å; R336-A359 WeakPolarHBondContact O-CB 3.33Å; F337-A359 HydrophobicContact CD1-CB 4.18Å; A359-P365 HydrophobicContact CB-CG 3.7Å; A359-P365 WeakPolarHBondContact O-CG 3.31Å; A359-I367 HydrophobicContact CB-CD1 3.85Å; A359-A482 HydrophobicContact CB-CB 3.38Å
360	Y	86.6	Confident	83.1	Confident	77 Å²	77	51.8 Å²	51.8	30%	0.302	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	163.4	166.6	-169.5	-95.9	0	0	0	109.4	E333 P335 R336	E333-Y360 WeakPolarHBondContact OE1-CD1 3.49Å; E333-Y360 WeakPolarHBondContact OE2-CE1 3.19Å; P335-Y360 CarbonylContact C-O 3.56Å; P335-Y360 WeakPolarHBondContact CA-O 3.3Å; R336-Y360 PolarHBondContact N-O 2.83Å; R336-Y360 PolarHBondContact O-N 3.47Å
361	G	82.5	Confident	83.7	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.6	161.6	177.8	0	0	0	0	0	108.8	P363 K364	G361-P363 CarbonylContact C-O 3.51Å; G361-P363 VanDerWaalsContact C-O 3.24Å; G361-P363 CarbonylContact O-C 3.37Å; G361-P363 VanDerWaalsContact O-C 3.26Å; G361-K364 WeakPolarHBondContact O-CA 3.17Å; G361-K364 PolarHBondContact O-N 2.68Å
362	Q	79	Confident	83.8	Confident	86 Å²	86	46.2 Å²	46.2	40%	0.402	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	112.6	-179.8	-179	63.8	-19	0	0	109.3	V331 N332 E333	V331-Q362 VanDerWaalsContact O-CG 3.31Å; V331-Q362 WeakPolarHBondContact O-CG 3.3Å; N332-Q362 CarbonylContact C-O 3.6Å; N332-Q362 VanDerWaalsContact CA-O 3.28Å; N332-Q362 WeakPolarHBondContact CA-O 3.44Å; N332-Q362 WeakPolarHBondContact CB-O 3.42Å; N332-Q362 PolarHBondContact OD1-O 2.75Å; E333-Q362 HydrophobicContact CB-CB 4.06Å; E333-Q362 PolarHBondContact N-O 2.95Å; E333-Q362 PolarHBondContact O-N 2.94Å
363	P	85.1	Confident	83.4	Confident	52 Å²	52	46 Å²	46	34%	0.338	22%	0.223	S	C	.	.	S	Bend	cis	-60.7	158	-2.9	-24.3	36.6	0	0	0	114.3	G361 N484 S485	G361-P363 CarbonylContact C-O 3.51Å; G361-P363 VanDerWaalsContact C-O 3.24Å; G361-P363 CarbonylContact O-C 3.37Å; G361-P363 VanDerWaalsContact O-C 3.26Å; P363-N484 WeakPolarHBondContact O-CB 3.36Å; P363-N484 PolarHBondContact O-ND2 3.27Å; P363-S485 WeakPolarHBondContact CD-OG 3.29Å; P363-S485 WeakPolarHBondContact CG-OG 2.78Å
364	K	83.8	Confident	82.1	Confident	173 Å²	173	47.2 Å²	47.2	75%	0.752	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-52.9	128.3	179.9	-175.7	178.4	178.8	178.7	0	111.2	G361	G361-K364 WeakPolarHBondContact O-CA 3.17Å; G361-K364 PolarHBondContact O-N 2.68Å
365	P	86.3	Confident	80	Confident	11 Å²	11	49.9 Å²	49.9	7%	0.071	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-74.6	147.9	-177.6	29.5	-35.2	0	0	0	113.2	P335 A359 A482 K483 N484	P335-P365 HydrophobicContact CB-CB 3.98Å; P335-P365 HydrophobicContact CB-CG 4.33Å; P335-P365 HydrophobicContact CG-CB 4.04Å; A359-P365 HydrophobicContact CB-CG 3.7Å; A359-P365 WeakPolarHBondContact O-CG 3.31Å; P365-A482 HydrophobicContact CB-CB 4.05Å; P365-A482 HydrophobicContact CG-CB 4.42Å; P365-K483 CarbonylContact C-O 3.37Å; P365-K483 WeakPolarHBondContact CA-O 3.24Å; P365-N484 HydrophobicContact CB-CB 4.42Å
366	I	88	Confident	77.5	Confident	120 Å²	120	57.2 Å²	57.2	62%	0.615	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	129	168.7	-58.8	173.7	0	0	0	108.1	Q368 A482 K483	I366-Q368 HydrophobicContact CG2-CG 4.41Å; I366-A482 WeakPolarHBondContact O-CA 3.28Å; I366-K483 PolarHBondContact N-O 2.82Å; I366-K483 PolarHBondContact O-N 3.02Å
367	I	86.9	Confident	74.9	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.092	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124	176.3	-55.4	-58	0	0	0	110.3	C357 A359 K458 G462 C480 A482	C357-I367 HydrophobicContact CB-CG2 4.46Å; A359-I367 HydrophobicContact CB-CD1 3.85Å; I367-K458 PolarHBondContact O-NZ 2.94Å; I367-G462 WeakPolarHBondContact CG2-O 3.02Å; I367-C480 VanDerWaalsContact CG2-SG 3.53Å; I367-A482 HydrophobicContact CD1-CB 3.75Å
368	Q	85.6	Confident	72	Confident	71 Å²	71	58.8 Å²	58.8	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.4	173.4	-59.8	-178.5	-76.2	0	0	109.8	I366 F370 I481	I366-Q368 HydrophobicContact CG2-CG 4.41Å; Q368-F370 HydrophobicContact CB-CE2 3.79Å; Q368-F370 HydrophobicContact CB-CZ 4.36Å; Q368-I481 PolarHBondContact N-O 3.36Å; Q368-I481 PolarHBondContact O-N 2.79Å
369	W	85.6	Confident	69.1	Low	24 Å²	24	61 Å²	61	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.8	176.6	-78.7	96.4	0	0	0	110.9	P341 L355 C357 L452 G462 L464 F479 C480 V493	P341-W369 HydrophobicContact CG-CH2 4.16Å; L355-W369 HydrophobicContact CB-CH2 3.82Å; L355-W369 HydrophobicContact CB-CZ2 4.18Å; L355-W369 HydrophobicContact CD1-CH2 4.13Å; L355-W369 HydrophobicContact CD1-CZ3 4.32Å; C357-W369 HydrophobicContact CB-CH2 4.23Å; C357-W369 HydrophobicContact CB-CZ2 3.38Å; W369-L452 HydrophobicContact CB-CD2 4.36Å; W369-G462 PolarHBondContact NE1-O 3.14Å; W369-L464 HydrophobicContact CB-CD1 4.12Å; W369-L464 HydrophobicContact CB-CD2 4.3Å; W369-L464 HydrophobicContact CB-CG 4.38Å; W369-L464 HydrophobicContact CD2-CD1 3.44Å; W369-L464 VanDerWaalsContact CD2-CD1 3.44Å; W369-L464 HydrophobicContact CD2-CD2 4.4Å; W369-L464 HydrophobicContact CD2-CG 3.6Å; W369-L464 HydrophobicContact CE3-CD1 3.5Å; W369-L464 HydrophobicContact CE3-CG 4.15Å; W369-L464 HydrophobicContact CG-CD1 3.76Å; W369-L464 HydrophobicContact CG-CD2 4Å; W369-L464 HydrophobicContact CG-CG 3.73Å; W369-L464 HydrophobicContact CH2-CD1 4.29Å; W369-L464 HydrophobicContact CH2-CG 4.49Å; W369-L464 HydrophobicContact CZ2-CB 4.39Å; W369-L464 HydrophobicContact CZ2-CD1 4.26Å; W369-L464 HydrophobicContact CZ2-CG 4Å; W369-L464 HydrophobicContact CZ3-CD1 3.95Å; W369-F479 WeakPolarHBondContact CA-O 3.41Å; W369-C480 HydrophobicContact CD2-CB 3.77Å; W369-C480 HydrophobicContact CE3-CB 3.73Å; W369-C480 HydrophobicContact CH2-CB 3.78Å; W369-C480 HydrophobicContact CZ2-CB 3.79Å; W369-C480 HydrophobicContact CZ3-CB 3.72Å; W369-V493 HydrophobicContact CZ3-CG1 4.31Å
370	F	81	Confident	66.4	Low	33 Å²	33	62.6 Å²	62.6	15%	0.145	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.7	177.6	-62.1	-88.6	0	0	0	109.6	Q368 L390 L448 Y478 F479 I481	Q368-F370 HydrophobicContact CB-CE2 3.79Å; Q368-F370 HydrophobicContact CB-CZ 4.36Å; F370-L390 HydrophobicContact CE1-CD1 4.41Å; F370-L390 HydrophobicContact CZ-CD1 3.99Å; F370-L448 HydrophobicContact CB-CD2 4.46Å; F370-L448 HydrophobicContact CD1-CD2 3.48Å; F370-L448 VanDerWaalsContact CD1-CD2 3.48Å; F370-L448 VanDerWaalsContact CD1-O 3.27Å; F370-L448 WeakPolarHBondContact CD1-O 3.36Å; F370-L448 HydrophobicContact CE1-CD2 3.83Å; F370-L448 WeakPolarHBondContact CE1-O 3.39Å; F370-L448 HydrophobicContact CG-CD2 4Å; F370-Y478 WeakPolarHBondContact O-CA 3.15Å; F370-F479 HydrophobicContact CB-CB 4.42Å; F370-F479 PolarHBondContact N-O 3.03Å; F370-F479 PolarHBondContact O-N 3.36Å; F370-I481 HydrophobicContact CD2-CD1 3.68Å; F370-I481 HydrophobicContact CD2-CG1 4.04Å; F370-I481 HydrophobicContact CE2-CB 4.5Å; F370-I481 HydrophobicContact CE2-CD1 3.66Å; F370-I481 HydrophobicContact CE2-CG1 4.17Å
371	Y	79.9	Confident	63.6	Low	17 Å²	17	59.1 Å²	59.1	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.1	178.3	170.2	-112.5	0	0	0	111.4	K373 V450 P453 K473 T475 Y478	Y371-K373 HydrophobicContact CE1-CB 3.7Å; Y371-K373 HydrophobicContact CE1-CG 4.43Å; Y371-K373 WeakPolarHBondContact OH-CG 3.29Å; Y371-V450 HydrophobicContact CD1-CG1 4.05Å; Y371-V450 WeakPolarHBondContact O-CB 3.21Å; Y371-V450 WeakPolarHBondContact O-CG1 3.4Å; Y371-P453 HydrophobicContact CD1-CG 3.47Å; Y371-P453 VanDerWaalsContact CD1-CG 3.47Å; Y371-P453 HydrophobicContact CD2-CG 3.99Å; Y371-P453 HydrophobicContact CE1-CG 3.29Å; Y371-P453 HydrophobicContact CE2-CG 3.83Å; Y371-P453 HydrophobicContact CG-CG 3.78Å; Y371-P453 VanDerWaalsContact CZ-CG 3.45Å; Y371-K473 PolarHBondContact OH-O 3.41Å; Y371-T475 PolarHBondContact OH-O 2.9Å; Y371-Y478 AromaticContact CD2-CD1 3.96Å; Y371-Y478 HydrophobicContact CD2-CD1 3.96Å; Y371-Y478 AromaticContact CD2-CD2 3.96Å; Y371-Y478 HydrophobicContact CD2-CD2 3.96Å; Y371-Y478 AromaticContact CD2-CE1 3.52Å; Y371-Y478 HydrophobicContact CD2-CE1 3.52Å; Y371-Y478 AromaticContact CD2-CE2 3.49Å; Y371-Y478 HydrophobicContact CD2-CE2 3.49Å; Y371-Y478 VanDerWaalsContact CD2-CE2 3.49Å; Y371-Y478 HydrophobicContact CD2-CG 4.16Å; Y371-Y478 AromaticContact CD2-CZ 3.28Å; Y371-Y478 HydrophobicContact CE2-CD2 4.38Å; Y371-Y478 HydrophobicContact CE2-CE1 4.23Å; Y371-Y478 AromaticContact CE2-CE2 3.59Å; Y371-Y478 HydrophobicContact CE2-CE2 3.59Å; Y371-Y478 AromaticContact CE2-CZ 3.53Å; Y371-Y478 WeakPolarHBondContact CE2-OH 3.4Å; Y371-Y478 HydrophobicContact CG-CE1 4.12Å
372	S	73.1	Confident	61	Low	9 Å²	9	59.2 Å²	59.2	6%	0.063	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.9	171.6	176.9	0	0	0	0	108.8	L374 L377 Q477	S372-L374 PolarHBondContact O-N 2.95Å; S372-L374 VanDerWaalsContact O-N 3.1Å; S372-L377 VanDerWaalsContact OG-CD1 3.24Å; S372-L377 WeakPolarHBondContact OG-CD1 3.4Å; S372-Q477 PolarHBondContact N-O 3.49Å; S372-Q477 PolarHBondContact O-N 2.8Å
373	K	64.8	Low	58.7	Low	74 Å²	74	58.5 Å²	58.5	32%	0.322	31%	0.305	S	S	.	.			trans	-68	111.2	170.9	-167.1	165.4	-170.2	174.8	0	108.2	Y371 N375 Q376	Y371-K373 HydrophobicContact CE1-CB 3.7Å; Y371-K373 HydrophobicContact CE1-CG 4.43Å; Y371-K373 WeakPolarHBondContact OH-CG 3.29Å; K373-N375 PolarHBondContact O-N 2.86Å; K373-Q376 PolarHBondContact O-N 2.02Å
374	L	53.5	Low	56.1	Low	53 Å²	53	59.1 Å²	59.1	28%	0.277	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-12.7	-173.1	-80.9	164.9	0	0	0	114.6	S372 Q477 E494	S372-L374 PolarHBondContact O-N 2.95Å; S372-L374 VanDerWaalsContact O-N 3.1Å; L374-Q477 HydrophobicContact CD1-CB 4.32Å; L374-Q477 HydrophobicContact CD2-CB 4.23Å; L374-Q477 HydrophobicContact CG-CB 4.19Å; L374-E494 HydrophobicContact CD1-CG 3.93Å
375	N	38.6	Very low	53.7	Low	144 Å²	144	53 Å²	53	77%	0.77	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	15.4	-179.4	-57.1	2.5	0	0	0	113.8	K373	K373-N375 PolarHBondContact O-N 2.86Å
376	Q	36.4	Very low	51	Low	154 Å²	154	57.1 Å²	57.1	72%	0.72	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-0.4	173.5	-81.4	-173.6	-31.5	0	0	115	K373	K373-Q376 PolarHBondContact O-N 2.02Å
377	L	31.6	Very low	48.3	Very low	21 Å²	21	53.5 Å²	53.5	11%	0.11	29%	0.289	C	S	.	.	S	Bend	trans	-116.8	82.2	172.5	-80.4	153.9	0	0	0	108.1	S372 S381 S382 V385 L687	S372-L377 VanDerWaalsContact OG-CD1 3.24Å; S372-L377 WeakPolarHBondContact OG-CD1 3.4Å; L377-S381 WeakPolarHBondContact CB-OG 3.47Å; L377-S381 WeakPolarHBondContact CD2-OG 3.48Å; L377-S382 PolarHBondContact O-OG 3Å; L377-V385 HydrophobicContact CD1-CG2 3.87Å; L377-V385 HydrophobicContact CD2-CG2 3.86Å; L377-L687 HydrophobicContact CD2-CD2 4.43Å
378	G	27.3	Very low	45.8	Very low	35 Å²	35	56.5 Å²	56.5	36%	0.361	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	134.1	-167.4	0	0	0	0	0	113.7	N380	G378-N380 WeakPolarHBondContact O-CA 3.43Å; G378-N380 VanDerWaalsContact O-CB 3.3Å; G378-N380 WeakPolarHBondContact O-CB 3.24Å; G378-N380 PolarHBondContact O-N 2.93Å
379	S	27.9	Very low	43.1	Very low	93 Å²	93	54.1 Å²	54.1	65%	0.65	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	35.8	-9.2	177.8	-158.5	0	0	0	0	121.1	R690	S379-R690 VanDerWaalsContact O-CD 3.28Å; S379-R690 WeakPolarHBondContact O-CD 3.19Å
380	N	31.7	Very low	40.7	Very low	46 Å²	46	54.1 Å²	54.1	25%	0.246	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-157.1	-88.7	-141.1	-88.3	-31.1	0	0	0	108.2	G378 S382 K383 L687 S688 R690	G378-N380 WeakPolarHBondContact O-CA 3.43Å; G378-N380 VanDerWaalsContact O-CB 3.3Å; G378-N380 WeakPolarHBondContact O-CB 3.24Å; G378-N380 PolarHBondContact O-N 2.93Å; N380-S382 PolarHBondContact O-N 2.83Å; N380-K383 PolarHBondContact O-N 2.74Å; N380-K383 VanDerWaalsContact O-N 3.15Å; N380-L687 WeakPolarHBondContact CB-O 3.43Å; N380-S688 CarbonylContact C-O 3.51Å; N380-S688 WeakPolarHBondContact CB-O 3.44Å; N380-R690 VanDerWaalsContact O-CG 3.28Å; N380-R690 WeakPolarHBondContact O-CG 3.18Å; N380-R690 PolarHBondContact O-NE 2.89Å; N380-R690 WeakPolarHBondContact OD1-CB 3.43Å; N380-R690 PolarHBondContact OD1-N 2.87Å
381	S	28	Very low	38.4	Very low	4 Å²	4	54.8 Å²	54.8	3%	0.028	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-33.7	-38.9	-175	48.8	0	0	0	0	118	L377 K383 S384 V385 L687 S688	L377-S381 WeakPolarHBondContact CB-OG 3.47Å; L377-S381 WeakPolarHBondContact CD2-OG 3.48Å; S381-K383 PolarHBondContact O-N 2.86Å; S381-S384 CarbonylContact O-C 3.47Å; S381-S384 PolarHBondContact O-N 3.15Å; S381-V385 WeakPolarHBondContact O-CG2 3.16Å; S381-V385 PolarHBondContact O-N 2.86Å; S381-L687 WeakPolarHBondContact CA-O 3.19Å; S381-L687 VanDerWaalsContact CB-O 3.25Å; S381-L687 WeakPolarHBondContact CB-O 3.3Å; S381-L687 PolarHBondContact N-O 2.93Å; S381-L687 WeakPolarHBondContact OG-CB 3.49Å; S381-L687 PolarHBondContact OG-O 2.86Å; S381-S688 WeakPolarHBondContact CA-O 3.33Å; S381-S688 VanDerWaalsContact CA-OG 3.3Å; S381-S688 WeakPolarHBondContact CA-OG 3.42Å; S381-S688 PolarHBondContact N-O 3.45Å
382	S	27.9	Very low	36.2	Very low	6 Å²	6	59.9 Å²	59.9	4%	0.042	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-60.9	10	177.1	31.2	0	0	0	0	116	L377 N380 R690	L377-S382 PolarHBondContact O-OG 3Å; N380-S382 PolarHBondContact O-N 2.83Å; S382-R690 PolarHBondContact OG-NH2 3.34Å
383	K	30	Very low	34.3	Very low	70 Å²	70	62.7 Å²	62.7	30%	0.304	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-110.8	-9	161.5	-72.4	-167.7	-178.9	178.4	0	115.1	N380 S381 R690 L798	N380-K383 PolarHBondContact O-N 2.74Å; N380-K383 VanDerWaalsContact O-N 3.15Å; S381-K383 PolarHBondContact O-N 2.86Å; K383-R690 HydrophobicContact CB-CG 4.21Å; K383-R690 HydrophobicContact CD-CG 4.04Å; K383-R690 HydrophobicContact CG-CG 4.17Å; K383-L798 HydrophobicContact CD-CB 4.08Å; K383-L798 HydrophobicContact CD-CD1 4.16Å
384	S	30.5	Very low	32.8	Very low	66 Å²	66	63.6 Å²	63.6	46%	0.462	35%	0.349	S	S	.	.	S	Bend	trans	-135.2	38.7	178.6	50.2	0	0	0	0	111.8	S381 M386 S688	S381-S384 CarbonylContact O-C 3.47Å; S381-S384 PolarHBondContact O-N 3.15Å; S384-M386 PolarHBondContact O-N 3.4Å; S384-S688 PolarHBondContact OG-OG 3.17Å; S384-S688 VanDerWaalsContact OG-OG 3.09Å
385	V	32.5	Very low	31.9	Very low	44 Å²	44	66.4 Å²	66.4	27%	0.267	36%	0.36	S	S	.	.			trans	-70.4	77.4	165.5	-178.4	0	0	0	0	109.5	L377 S381 L387 I447 L448	L377-V385 HydrophobicContact CD1-CG2 3.87Å; L377-V385 HydrophobicContact CD2-CG2 3.86Å; S381-V385 WeakPolarHBondContact O-CG2 3.16Å; S381-V385 PolarHBondContact O-N 2.86Å; V385-L387 PolarHBondContact O-N 3.11Å; V385-I447 WeakPolarHBondContact CG1-O 3.48Å; V385-L448 HydrophobicContact CG1-CD1 4.35Å; V385-L448 HydrophobicContact CG1-CD2 4.48Å; V385-L448 HydrophobicContact CG1-CG 4.01Å
386	M	29.6	Very low	31.4	Very low	97 Å²	97	64.7 Å²	64.7	48%	0.478	35%	0.351	S	S	.	.			trans	48.4	37.8	138.9	-83.7	-78.3	173.3	0	0	118.7	S384 T388 S389 L390 L448	S384-M386 PolarHBondContact O-N 3.4Å; M386-T388 PolarHBondContact O-N 2.84Å; M386-T388 PolarHBondContact SD-OG1 2.94Å; M386-S389 PolarHBondContact O-N 2.67Å; M386-S389 PolarHBondContact O-OG 3.1Å; M386-S389 PolarHBondContact SD-N 3.12Å; M386-S389 VanDerWaalsContact SD-N 3.4Å; M386-L390 PolarHBondContact O-N 3.16Å; M386-L448 HydrophobicContact CB-CD1 3.88Å; M386-L448 WeakPolarHBondContact O-CD1 3.47Å
387	L	32	Very low	31.1	Very low	45 Å²	45	64.3 Å²	64.3	24%	0.236	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-2.7	150.3	-85.7	165.2	0	0	0	112.8	V385 L390 N391 I481 R488 I490	V385-L387 PolarHBondContact O-N 3.11Å; L387-L390 HydrophobicContact CD2-CB 4.2Å; L387-L390 HydrophobicContact CD2-CD1 3.61Å; L387-N391 PolarHBondContact O-OD1 3.43Å; L387-N391 VanDerWaalsContact O-OD1 3.1Å; L387-I481 HydrophobicContact CD1-CD1 3.87Å; L387-I481 HydrophobicContact CD2-CD1 3.6Å; L387-I481 HydrophobicContact CG-CD1 4.2Å; L387-R488 PolarHBondContact O-NH1 2.58Å; L387-R488 PolarHBondContact O-NH2 3.41Å; L387-I490 HydrophobicContact CD1-CD1 3.89Å; L387-I490 HydrophobicContact CD1-CG1 3.86Å
388	T	33.6	Very low	31	Very low	80 Å²	80	67.5 Å²	67.5	49%	0.491	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-19.4	161.2	37.9	0	0	0	0	114.9	M386	M386-T388 PolarHBondContact O-N 2.84Å; M386-T388 PolarHBondContact SD-OG1 2.94Å
389	S	29.1	Very low	31	Very low	22 Å²	22	70.8 Å²	70.8	15%	0.154	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-41.2	168.8	75.6	0	0	0	0	111.4	M386 N391 R392 E393	M386-S389 PolarHBondContact O-N 2.67Å; M386-S389 PolarHBondContact O-OG 3.1Å; M386-S389 PolarHBondContact SD-N 3.12Å; M386-S389 VanDerWaalsContact SD-N 3.4Å; S389-N391 PolarHBondContact O-N 2.75Å; S389-R392 WeakPolarHBondContact O-CA 3.44Å; S389-R392 PolarHBondContact O-N 2.91Å; S389-E393 PolarHBondContact O-N 3.05Å; S389-E393 VanDerWaalsContact O-N 3.11Å
390	L	34.8	Very low	30.9	Very low	24 Å²	24	74.7 Å²	74.7	13%	0.126	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-7.2	171.6	-88.8	158.6	0	0	0	114	F370 M386 L387 E393 L448	F370-L390 HydrophobicContact CE1-CD1 4.41Å; F370-L390 HydrophobicContact CZ-CD1 3.99Å; M386-L390 PolarHBondContact O-N 3.16Å; L387-L390 HydrophobicContact CD2-CB 4.2Å; L387-L390 HydrophobicContact CD2-CD1 3.61Å; L390-E393 WeakPolarHBondContact CD2-OE2 3.14Å; L390-L448 HydrophobicContact CD1-CD1 4.09Å; L390-L448 HydrophobicContact CD1-CD2 4.32Å
391	N	34.2	Very low	30.8	Very low	47 Å²	47	79.6 Å²	79.6	25%	0.251	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-19.7	169	-73.6	18.6	0	0	0	113.2	L387 S389 T394 F436 R488	L387-N391 PolarHBondContact O-OD1 3.43Å; L387-N391 VanDerWaalsContact O-OD1 3.1Å; S389-N391 PolarHBondContact O-N 2.75Å; N391-T394 WeakPolarHBondContact CA-OG1 3.49Å; N391-T394 PolarHBondContact O-OG1 3.13Å; N391-F436 HydrophobicContact CB-CZ 4.15Å; N391-R488 VanDerWaalsContact OD1-CZ 3.28Å; N391-R488 PolarHBondContact OD1-NH1 3.29Å; N391-R488 PolarHBondContact OD1-NH2 2.99Å; N391-R488 VanDerWaalsContact OD1-NH2 3.09Å
392	R	33.3	Very low	30.8	Very low	124 Å²	124	86.2 Å²	86.2	47%	0.468	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-29.6	173	-78.5	-174.3	171.5	167.3	1	112.6	S389 T394 Q395 N396	S389-R392 WeakPolarHBondContact O-CA 3.44Å; S389-R392 PolarHBondContact O-N 2.91Å; R392-T394 PolarHBondContact O-N 3.2Å; R392-Q395 CarbonylContact O-C 3.55Å; R392-Q395 WeakPolarHBondContact O-CA 3.2Å; R392-Q395 PolarHBondContact O-N 2.9Å; R392-N396 WeakPolarHBondContact O-CB 3.47Å; R392-N396 PolarHBondContact O-N 3.36Å
393	E	32.8	Very low	30.8	Very low	68 Å²	68	91.8 Å²	91.8	32%	0.318	50%	0.496	S	S	.	.	H	α-helix	trans	-61.2	-30.1	169.9	-74.4	158	-170	0	0	111.6	S389 L390 Q395 I397	S389-E393 PolarHBondContact O-N 3.05Å; S389-E393 VanDerWaalsContact O-N 3.11Å; L390-E393 WeakPolarHBondContact CD2-OE2 3.14Å; E393-Q395 PolarHBondContact O-N 2.92Å; E393-I397 HydrophobicContact CB-CD1 4.02Å; E393-I397 WeakPolarHBondContact O-CB 3.48Å; E393-I397 WeakPolarHBondContact O-CD1 3.25Å; E393-I397 WeakPolarHBondContact O-CG1 3.2Å; E393-I397 PolarHBondContact O-N 2.81Å
394	T	33.1	Very low	30.7	Very low	92 Å²	92	93.6 Å²	93.6	56%	0.564	51%	0.513	S	S	*	.	H	α-helix	trans	-77.8	2.2	169.8	42.8	0	0	0	0	115.3	N391 R392	N391-T394 WeakPolarHBondContact CA-OG1 3.49Å; N391-T394 PolarHBondContact O-OG1 3.13Å; R392-T394 PolarHBondContact O-N 3.2Å
395	Q	34	Very low	30.7	Very low	112 Å²	112	98.4 Å²	98.4	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-119.5	-24	173.1	-70.4	-176.4	-38.2	0	0	112.8	R392 E393	R392-Q395 CarbonylContact O-C 3.55Å; R392-Q395 WeakPolarHBondContact O-CA 3.2Å; R392-Q395 PolarHBondContact O-N 2.9Å; E393-Q395 PolarHBondContact O-N 2.92Å
396	N	29.8	Very low	30.5	Very low	109 Å²	109	104.3 Å²	104.3	58%	0.583	56%	0.558	S	S	*	*	H	α-helix	trans	-102	-5.5	-177.1	-69.3	24.6	0	0	0	114.1	R392 A398 T399	R392-N396 WeakPolarHBondContact O-CB 3.47Å; R392-N396 PolarHBondContact O-N 3.36Å; N396-A398 VanDerWaalsContact C-N 3.26Å; N396-T399 PolarHBondContact O-OG1 2.96Å
397	I	30.2	Very low	30.7	Very low	146 Å²	146	108.9 Å²	108.9	75%	0.749	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	28.1	173.6	-53.2	173.3	0	0	0	110.1	E393	E393-I397 HydrophobicContact CB-CD1 4.02Å; E393-I397 WeakPolarHBondContact O-CB 3.48Å; E393-I397 WeakPolarHBondContact O-CD1 3.25Å; E393-I397 WeakPolarHBondContact O-CG1 3.2Å; E393-I397 PolarHBondContact O-N 2.81Å
398	A	29	Very low	30.7	Very low	87 Å²	87	113.2 Å²	113.2	72%	0.719	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	10.5	173.4	0	0	0	0	0	112.1	N396	N396-A398 VanDerWaalsContact C-N 3.26Å
399	T	26.4	Very low	30.7	Very low	105 Å²	105	117.2 Å²	117.2	64%	0.644	62%	0.616	S	S	*	*	S	Bend	trans	-137.7	45.7	-169	56.2	0	0	0	0	112.4	N396	N396-T399 PolarHBondContact O-OG1 2.96Å
400	E	26	Very low	30.9	Very low	174 Å²	174	121.5 Å²	121.5	81%	0.813	64%	0.637	S	S	*	*			trans	-143.6	133.6	164.3	-104.1	167.4	-163.1	0	0	107.8
401	N	29.4	Very low	30.7	Very low	149 Å²	149	124.4 Å²	124.4	80%	0.797	66%	0.659	S	S	*	*	S	Bend	trans	72.4	131.8	-167.3	-45.9	-48.4	0	0	0	116
402	I	28.9	Very low	30.7	Very low	143 Å²	143	129.6 Å²	129.6	73%	0.733	69%	0.686	S	S	*	*			cis	-159.3	136.9	-21.5	-122.9	153.3	0	0	0	110
403	V	28.1	Very low	30.6	Very low	123 Å²	123	132.5 Å²	132.5	75%	0.745	70%	0.697	S	S	*	*			trans	35	111.1	151	-170.6	0	0	0	0	121.4
404	V	27.9	Very low	30.7	Very low	109 Å²	109	138.2 Å²	138.2	66%	0.661	72%	0.724	S	S	*	*				30.8	124.2	126.6	-174.7	0	0	0	0	120.1
405	D	30.5	Very low	30.5	Very low	166 Å²	166	140.2 Å²	140.2	89%	0.888	73%	0.731	S	S	*	*				-149	152.7	116.1	-102	-28	0	0	0	110.4
406	Q	28.6	Very low	30.4	Very low	168 Å²	168	141.5 Å²	141.5	79%	0.785	74%	0.74	S	S	*	*			trans	-126.9	141.8	-175.5	-62	-178.9	-95.7	0	0	111.2
407	E	33.3	Very low	30.2	Very low	193 Å²	193	143 Å²	143	90%	0.902	75%	0.754	S	S	*	*			trans	-147.1	159.3	146.4	-132.9	161.9	-154.2	0	0	110.1
408	H	31.7	Very low	30	Very low	137 Å²	137	144.4 Å²	144.4	63%	0.634	76%	0.757	S	S	*	*			trans	-104.6	161	-166.4	-118.3	41.8	0	0	0	112.2
409	D	33.3	Very low	29.8	Very low	164 Å²	164	149.8 Å²	149.8	88%	0.877	77%	0.767	S	S	*	*				-156.7	145.2	118.7	-107.8	-21.6	0	0	0	111.3
410	D	33	Very low	29.8	Very low	111 Å²	111	150.3 Å²	150.3	59%	0.594	77%	0.77	S	S	*	*			trans	-74	169.5	177.8	-77.2	-53.2	0	0	0	111.4
411	C	31.8	Very low	29.8	Very low	86 Å²	86	148.3 Å²	148.3	58%	0.581	76%	0.761	S	S	*	*			cis	-153.7	-179.5	-2.8	-129.2	0	0	0	0	106.7
412	D	33.9	Very low	29.8	Very low	156 Å²	156	146.2 Å²	146.2	83%	0.834	75%	0.749	S	S	*	*			cis	-131.7	160.8	19.6	-93.5	-53.4	0	0	0	113.4
413	R	31.1	Very low	29.5	Very low	184 Å²	184	143.1 Å²	143.1	69%	0.694	75%	0.753	S	S	*	*			trans	-93.6	144.7	175.8	-65.5	174.8	169.8	84.1	-1.8	111.7
414	E	33.9	Very low	29.4	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	74%	0.743	S	S	*	*				-146.2	141.8	127.3	-114.2	172.7	-162.1	0	0	108.3
415	D	30.5	Very low	29.3	Very low	135 Å²	135	144.6 Å²	144.6	72%	0.722	74%	0.744	S	S	*	*			trans	-63.7	134.3	-158.7	-59.4	-55.7	0	0	0	113.2
416	I	30.3	Very low	29	Very low	139 Å²	139	144.6 Å²	144.6	71%	0.713	75%	0.745	S	S	*	*				62.4	80.3	50.4	-49.2	-179.6	0	0	0	112.9
417	T	26.9	Very low	29	Very low	141 Å²	141	140 Å²	140	87%	0.865	73%	0.728	S	S	*	*			trans	-150.4	143.6	138.2	-6	0	0	0	0	110.3
418	E	24.8	Very low	28.6	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.813	72%	0.721	S	S	*	*			trans	-81.3	122.7	-160.3	-59.4	168.4	116.9	0	0	113.5	V420	E418-V420 HydrophobicContact CB-CG2 4.39Å
419	Q	26.1	Very low	28.3	Very low	200 Å²	200	135 Å²	135	94%	0.935	72%	0.717	S	S	*	*			trans	-107.9	63.4	153.6	-78.1	-155.5	-22.1	0	0	111	E421	Q419-E421 VanDerWaalsContact C-N 3.33Å; Q419-E421 PolarHBondContact O-N 3.08Å
420	V	26	Very low	28	Very low	116 Å²	116	134.7 Å²	134.7	70%	0.703	71%	0.71	S	S	*	*			trans	-92.4	65.6	168.7	-172.3	0	0	0	0	109.1	E418	E418-V420 HydrophobicContact CB-CG2 4.39Å
421	E	26	Very low	27.5	Very low	132 Å²	132	133 Å²	133	62%	0.617	71%	0.707	S	S	*	*			trans	-120.1	82	176.2	-69.3	-146.9	121.8	0	0	113.3	Q419 G423 Q437	Q419-E421 VanDerWaalsContact C-N 3.33Å; Q419-E421 PolarHBondContact O-N 3.08Å; E421-G423 PolarHBondContact O-N 3.33Å; E421-Q437 PolarHBondContact OE1-NE2 2.77Å
422	N	28.8	Very low	27.3	Very low	105 Å²	105	135.7 Å²	135.7	56%	0.561	71%	0.714	S	S	*	*				55.7	62.9	129	-58.1	-43.8	0	0	0	117.6	I424	N422-I424 HydrophobicContact CB-CD1 4.24Å; N422-I424 HydrophobicContact CB-CG1 4.22Å; N422-I424 PolarHBondContact O-N 3.36Å
423	G	23.2	Very low	26.9	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	71%	0.707	S	S	*	*			trans	-66.1	70.1	155.2	0	0	0	0	0	112	E421	E421-G423 PolarHBondContact O-N 3.33Å
424	I	26.5	Very low	26.7	Very low	106 Å²	106	135.1 Å²	135.1	54%	0.544	71%	0.707	S	S	.	*			trans	-83.9	133.1	176.1	-64.3	177.7	0	0	0	108.9	N422	N422-I424 HydrophobicContact CB-CD1 4.24Å; N422-I424 HydrophobicContact CB-CG1 4.22Å; N422-I424 PolarHBondContact O-N 3.36Å
425	F	25.8	Very low	26.5	Very low	157 Å²	157	132 Å²	132	69%	0.689	70%	0.703	S	S	*	*			trans	-62.4	134.6	-166.4	-77.1	-109.1	0	0	0	113.5	T427	F425-T427 PolarHBondContact O-N 2.96Å
426	N	24.2	Very low	26.2	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	69%	0.689	S	S	*	*			trans	-67.4	94.9	160.1	-80.5	-22.1	0	0	0	109.5
427	T	27.3	Very low	26.2	Very low	72 Å²	72	131 Å²	131	44%	0.442	69%	0.69	S	S	.	*			trans	-105.9	107.6	160.1	53.6	0	0	0	0	108.8	P229 F425 D429	P229-T427 HydrophobicContact CG-CG2 4.08Å; F425-T427 PolarHBondContact O-N 2.96Å; T427-D429 PolarHBondContact O-N 3.23Å
428	T	24.9	Very low	26.2	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	69%	0.687	S	S	*	*			trans	-75.3	72.8	176.9	48.2	0	0	0	0	111.2
429	D	25.8	Very low	26.3	Very low	103 Å²	103	130.8 Å²	130.8	55%	0.551	68%	0.676	S	S	*	*	S	Bend	trans	-150.4	148.5	163	-138.3	-20.4	0	0	0	110.8	T427 S431	T427-D429 PolarHBondContact O-N 3.23Å; D429-S431 PolarHBondContact O-N 3.23Å
430	H	26.2	Very low	26.4	Very low	156 Å²	156	132.8 Å²	132.8	72%	0.722	68%	0.675	S	S	*	*	S	Bend	trans	-66.6	90.1	-157.9	-67.2	-35.2	0	0	0	115.4	N1046	H430-N1046 PolarHBondContact CE1-OD1 3.42Å
431	S	23.7	Very low	26.3	Very low	77 Å²	77	132.4 Å²	132.4	54%	0.538	67%	0.673	S	S	.	*			trans	-148.1	136.2	167.3	59.6	0	0	0	0	111.9	D429	D429-S431 PolarHBondContact O-N 3.23Å
432	I	27.1	Very low	26.5	Very low	141 Å²	141	134.2 Å²	134.2	72%	0.723	69%	0.685	S	S	*	*			trans	-95.2	108.6	-172.4	-60.2	173.3	0	0	0	110	Y434	I432-Y434 HydrophobicContact CG2-CD2 4.23Å; I432-Y434 HydrophobicContact CG2-CE2 3.79Å
433	H	25.2	Very low	26.3	Very low	148 Å²	148	135.9 Å²	135.9	69%	0.685	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-92.7	129.4	170.4	-117.5	-76.3	0	0	0	110.5
434	Y	28.2	Very low	26.5	Very low	181 Å²	181	142 Å²	142	71%	0.71	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-101.1	131.2	176.7	-69.5	-90.2	0	0	0	111.1	I432	I432-Y434 HydrophobicContact CG2-CD2 4.23Å; I432-Y434 HydrophobicContact CG2-CE2 3.79Å
435	P	29	Very low	26.6	Very low	121 Å²	121	146.2 Å²	146.2	79%	0.786	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-75.8	149.6	166.4	32	-33.2	0	0	0	111.1
436	F	24.8	Very low	26.6	Very low	99 Å²	99	143.9 Å²	143.9	43%	0.434	71%	0.707	S	S	.	*			trans	-114.2	134.7	175.6	-101.4	-93.7	0	0	0	110	N391	N391-F436 HydrophobicContact CB-CZ 4.15Å
437	Q	30	Very low	27	Very low	156 Å²	156	140.4 Å²	140.4	73%	0.729	69%	0.687	S	S	*	*			trans	-126.4	164.5	156.2	-79.2	-165.7	-7.7	0	0	111	E421	E421-Q437 PolarHBondContact OE1-NE2 2.77Å
438	K	27.1	Very low	27.3	Very low	185 Å²	185	138 Å²	138	80%	0.804	67%	0.672	S	S	*	*			trans	-93	149.8	-153.9	-107	177.9	169.4	174.4	0	115.1
439	H	26.1	Very low	27.6	Very low	125 Å²	125	138.6 Å²	138.6	58%	0.579	67%	0.67	S	S	*	*			trans	33.8	125	156.8	-56.3	-69.7	0	0	0	121.1
440	R	29.1	Very low	28.7	Very low	242 Å²	242	136.7 Å²	136.7	91%	0.913	66%	0.663	S	S	*	*				-136.5	153.5	95.9	-106.6	172.2	-177.4	172.7	1.6	111.1
441	T	23.9	Very low	30.3	Very low	107 Å²	107	135.9 Å²	135.9	66%	0.656	66%	0.663	S	S	*	*			trans	-104.7	116.6	-170.3	43.7	0	0	0	0	111.2
442	I	29.1	Very low	32.5	Very low	170 Å²	170	134.8 Å²	134.8	87%	0.872	65%	0.651	S	S	*	*			trans	-128.9	127.9	163.8	-60	-177.9	0	0	0	107.6
443	N	24.5	Very low	34.7	Very low	141 Å²	141	128.9 Å²	128.9	75%	0.754	62%	0.622	S	S	*	*			trans	-79.6	133.8	-170.7	-60.1	-33.6	0	0	0	111.9
444	K	28.1	Very low	36.8	Very low	207 Å²	207	125.2 Å²	125.2	90%	0.9	62%	0.624	S	S	*	*			trans	-174.8	111.9	138	-99.3	145.7	-168.6	176.4	0	113.6
445	K	29.2	Very low	38.6	Very low	193 Å²	193	118 Å²	118	84%	0.839	60%	0.604	S	S	*	*			trans	57.4	122.8	149.3	-144.4	168.2	-171.7	175.7	0	119.6
446	L	25.3	Very low	40.8	Very low	109 Å²	109	112.7 Å²	112.7	57%	0.571	57%	0.57	S	S	*	*			trans	-62.5	131.4	171.9	-153.7	74.8	0	0	0	111.2	D449	L446-D449 HydrophobicContact CD2-CB 4.46Å
447	I	31.8	Very low	43.1	Very low	93 Å²	93	112.7 Å²	112.7	48%	0.477	58%	0.575	S	S	.	*			trans	-133.6	48	175.7	-37.9	-179.3	0	0	0	111	V385	V385-I447 WeakPolarHBondContact CG1-O 3.48Å
448	L	34.7	Very low	45.2	Very low	22 Å²	22	110.8 Å²	110.8	12%	0.115	56%	0.564	C	S	.	*	S	Bend	trans	-132.4	-6.6	172.4	-103.9	157.6	0	0	0	114.3	F370 V385 M386 L390 V450	F370-L448 HydrophobicContact CB-CD2 4.46Å; F370-L448 HydrophobicContact CD1-CD2 3.48Å; F370-L448 VanDerWaalsContact CD1-CD2 3.48Å; F370-L448 VanDerWaalsContact CD1-O 3.27Å; F370-L448 WeakPolarHBondContact CD1-O 3.36Å; F370-L448 HydrophobicContact CE1-CD2 3.83Å; F370-L448 WeakPolarHBondContact CE1-O 3.39Å; F370-L448 HydrophobicContact CG-CD2 4Å; V385-L448 HydrophobicContact CG1-CD1 4.35Å; V385-L448 HydrophobicContact CG1-CD2 4.48Å; V385-L448 HydrophobicContact CG1-CG 4.01Å; M386-L448 HydrophobicContact CB-CD1 3.88Å; M386-L448 WeakPolarHBondContact O-CD1 3.47Å; L390-L448 HydrophobicContact CD1-CD1 4.09Å; L390-L448 HydrophobicContact CD1-CD2 4.32Å; L448-V450 VanDerWaalsContact C-N 3.26Å; L448-V450 PolarHBondContact O-N 3.25Å
449	D	30.9	Very low	47.3	Very low	134 Å²	134	104.7 Å²	104.7	72%	0.717	54%	0.539	S	S	*	.			trans	-93.7	55.2	170.9	-156.2	20.8	0	0	0	110.6	L446 N451	L446-D449 HydrophobicContact CD2-CB 4.46Å; D449-N451 PolarHBondContact O-N 2.81Å
450	V	48.5	Very low	49.5	Very low	64 Å²	64	105.6 Å²	105.6	39%	0.388	56%	0.556	S	S	.	*			trans	-87.7	98.3	176.6	-176.8	0	0	0	0	108.1	Y371 L448 L452	Y371-V450 HydrophobicContact CD1-CG1 4.05Å; Y371-V450 WeakPolarHBondContact O-CB 3.21Å; Y371-V450 WeakPolarHBondContact O-CG1 3.4Å; L448-V450 VanDerWaalsContact C-N 3.26Å; L448-V450 PolarHBondContact O-N 3.25Å; V450-L452 PolarHBondContact O-N 2.9Å
451	N	59.9	Low	51.4	Low	138 Å²	138	97.3 Å²	97.3	74%	0.738	53%	0.53	S	S	*	.			trans	-42.9	132.3	172.6	-79.9	-65.9	0	0	0	111.6	D449	D449-N451 PolarHBondContact O-N 2.81Å
452	L	70	Confident	53.9	Low	55 Å²	55	92.4 Å²	92.4	29%	0.288	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-55.7	140.5	176.5	-68.2	169.5	0	0	0	110	W369 V450 V456 L464 Y478	W369-L452 HydrophobicContact CB-CD2 4.36Å; V450-L452 PolarHBondContact O-N 2.9Å; L452-V456 HydrophobicContact CB-CB 4.17Å; L452-V456 HydrophobicContact CB-CG1 4.08Å; L452-V456 HydrophobicContact CD1-CG1 4.3Å; L452-V456 HydrophobicContact CD2-CG1 4.18Å; L452-V456 HydrophobicContact CG-CG1 4.42Å; L452-L464 HydrophobicContact CD1-CD2 3.81Å; L452-L464 HydrophobicContact CD2-CD1 4.27Å; L452-Y478 HydrophobicContact CD2-CD1 4.42Å; L452-Y478 HydrophobicContact CD2-CE1 4.43Å
453	P	74.5	Confident	56.4	Low	17 Å²	17	84.3 Å²	84.3	11%	0.11	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-57	145.3	-177.3	-30.4	39	0	0	0	113.2	Y371 G455 V456 V474	Y371-P453 HydrophobicContact CD1-CG 3.47Å; Y371-P453 VanDerWaalsContact CD1-CG 3.47Å; Y371-P453 HydrophobicContact CD2-CG 3.99Å; Y371-P453 HydrophobicContact CE1-CG 3.29Å; Y371-P453 HydrophobicContact CE2-CG 3.83Å; Y371-P453 HydrophobicContact CG-CG 3.78Å; Y371-P453 VanDerWaalsContact CZ-CG 3.45Å; P453-G455 PolarHBondContact O-N 3.45Å; P453-G455 VanDerWaalsContact O-N 3.12Å; P453-V456 HydrophobicContact CB-CG2 4.02Å; P453-V456 HydrophobicContact CG-CG2 4.38Å; P453-V456 VanDerWaalsContact O-CB 3.26Å; P453-V456 WeakPolarHBondContact O-CB 3.44Å; P453-V456 WeakPolarHBondContact O-CG2 3.41Å; P453-V456 PolarHBondContact O-N 2.93Å; P453-V474 HydrophobicContact CB-CG1 4.06Å
454	G	68.2	Low	59.2	Low	71 Å²	71	77.6 Å²	77.6	73%	0.732	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	120.5	173.5	0	0	0	0	0	111.3
455	G	66.4	Low	61.8	Low	28 Å²	28	70.3 Å²	70.3	29%	0.289	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	-0.6	-168.6	0	0	0	0	0	114.7	P453 Y467	P453-G455 PolarHBondContact O-N 3.45Å; P453-G455 VanDerWaalsContact O-N 3.12Å; G455-Y467 VanDerWaalsContact CA-O 3.28Å; G455-Y467 WeakPolarHBondContact CA-O 3.21Å; G455-Y467 PolarHBondContact O-N 2.68Å
456	V	75.5	Confident	64.3	Low	10 Å²	10	61.1 Å²	61.1	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.6	176.8	-179.4	0	0	0	0	110.1	L452 P453 L464 L465 I466 V474 Y478	L452-V456 HydrophobicContact CB-CB 4.17Å; L452-V456 HydrophobicContact CB-CG1 4.08Å; L452-V456 HydrophobicContact CD1-CG1 4.3Å; L452-V456 HydrophobicContact CD2-CG1 4.18Å; L452-V456 HydrophobicContact CG-CG1 4.42Å; P453-V456 HydrophobicContact CB-CG2 4.02Å; P453-V456 HydrophobicContact CG-CG2 4.38Å; P453-V456 VanDerWaalsContact O-CB 3.26Å; P453-V456 WeakPolarHBondContact O-CB 3.44Å; P453-V456 WeakPolarHBondContact O-CG2 3.41Å; P453-V456 PolarHBondContact O-N 2.93Å; V456-L464 HydrophobicContact CG1-CB 4.38Å; V456-L464 HydrophobicContact CG1-CD1 3.9Å; V456-L464 HydrophobicContact CG1-CD2 3.92Å; V456-L464 HydrophobicContact CG1-CG 4.29Å; V456-L465 WeakPolarHBondContact CA-O 3.43Å; V456-I466 HydrophobicContact CB-CG1 4.41Å; V456-I466 HydrophobicContact CG1-CD1 4.39Å; V456-I466 HydrophobicContact CG1-CG1 4Å; V456-I466 HydrophobicContact CG2-CB 4.48Å; V456-I466 HydrophobicContact CG2-CD1 4.2Å; V456-I466 HydrophobicContact CG2-CG1 3.94Å; V456-I466 HydrophobicContact CG2-CG2 4.19Å; V456-V474 HydrophobicContact CG2-CB 4.37Å; V456-V474 HydrophobicContact CG2-CG1 4.04Å; V456-Y478 HydrophobicContact CG1-CE1 4.18Å; V456-Y478 HydrophobicContact CG2-CE1 4.3Å
457	N	72.4	Confident	66.8	Low	100 Å²	100	62.1 Å²	62.1	54%	0.535	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.6	-177.9	-65.2	-45.4	0	0	0	110.8	L464 L465	N457-L464 CarbonylContact O-C 3.54Å; N457-L464 WeakPolarHBondContact O-CA 3.26Å; N457-L465 PolarHBondContact N-O 2.73Å; N457-L465 PolarHBondContact O-N 2.69Å
458	K	74.4	Confident	68.5	Low	116 Å²	116	58 Å²	58	50%	0.504	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.7	172.6	-168.6	-174.7	-178.4	-175.4	0	110.8	I367 L464	I367-K458 PolarHBondContact O-NZ 2.94Å; K458-L464 HydrophobicContact CB-CD2 4.24Å
459	M	71.3	Confident	70.2	Confident	56 Å²	56	64.8 Å²	64.8	28%	0.276	35%	0.354	S	S	.	.			trans	-88.2	158.8	176.7	-70.5	173.3	57.4	0	0	111.7	I354 D461 G462 S463 L465	I354-M459 HydrophobicContact CD1-CE 4.47Å; I354-M459 HydrophobicContact CD1-SD 4.35Å; I354-M459 HydrophobicContact CG1-SD 4.3Å; I354-M459 HydrophobicContact CG2-SD 3.97Å; M459-D461 VanDerWaalsContact C-N 3.27Å; M459-D461 WeakPolarHBondContact CB-OD1 3.41Å; M459-D461 PolarHBondContact O-N 3.17Å; M459-G462 PolarHBondContact O-N 3.46Å; M459-G462 VanDerWaalsContact O-N 3.08Å; M459-S463 PolarHBondContact N-O 3.42Å; M459-L465 HydrophobicContact CG-CB 4.02Å; M459-L465 HydrophobicContact SD-CB 3.93Å
460	P	71.7	Confident	72.3	Confident	144 Å²	144	59.5 Å²	59.5	94%	0.935	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.5	-174.5	-23.4	35	0	0	0	115.4	G462	P460-G462 VanDerWaalsContact C-N 3.32Å
461	D	69.5	Low	73.6	Confident	69 Å²	69	56.5 Å²	56.5	37%	0.369	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.3	174.1	62.2	-20.3	0	0	0	113.1	M459 S463	M459-D461 VanDerWaalsContact C-N 3.27Å; M459-D461 WeakPolarHBondContact CB-OD1 3.41Å; M459-D461 PolarHBondContact O-N 3.17Å; D461-S463 VanDerWaalsContact CG-OG 3.28Å; D461-S463 WeakPolarHBondContact OD1-CB 3.43Å; D461-S463 PolarHBondContact OD1-N 3.36Å; D461-S463 PolarHBondContact OD1-OG 3.09Å; D461-S463 VanDerWaalsContact OD2-CB 3.24Å; D461-S463 WeakPolarHBondContact OD2-CB 3.31Å; D461-S463 PolarHBondContact OD2-OG 3.23Å
462	G	75.2	Confident	74.3	Confident	4 Å²	4	52.2 Å²	52.2	4%	0.041	29%	0.288	C	S	.	.	S	Bend	trans	115.4	-9.8	-172.3	0	0	0	0	0	114.2	I367 W369 M459 P460	I367-G462 WeakPolarHBondContact CG2-O 3.02Å; W369-G462 PolarHBondContact NE1-O 3.14Å; M459-G462 PolarHBondContact O-N 3.46Å; M459-G462 VanDerWaalsContact O-N 3.08Å; P460-G462 VanDerWaalsContact C-N 3.32Å
463	S	81.4	Confident	74.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.			trans	-71.7	166.2	-178.6	-60.9	0	0	0	0	113	L355 P356 C357 M459 D461	L355-S463 WeakPolarHBondContact O-CA 3.4Å; L355-S463 VanDerWaalsContact O-CB 3.29Å; L355-S463 WeakPolarHBondContact O-CB 3.36Å; P356-S463 WeakPolarHBondContact CA-OG 3.37Å; C357-S463 PolarHBondContact N-OG 3.39Å; M459-S463 PolarHBondContact N-O 3.42Å; D461-S463 VanDerWaalsContact CG-OG 3.28Å; D461-S463 WeakPolarHBondContact OD1-CB 3.43Å; D461-S463 PolarHBondContact OD1-N 3.36Å; D461-S463 PolarHBondContact OD1-OG 3.09Å; D461-S463 VanDerWaalsContact OD2-CB 3.24Å; D461-S463 WeakPolarHBondContact OD2-CB 3.31Å; D461-S463 PolarHBondContact OD2-OG 3.23Å
464	L	84	Confident	74.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.5	167	-70.7	178.1	0	0	0	111.1	I354 L355 W369 L452 V456 N457 K458 I466 Y478	I354-L464 CarbonylContact C-O 3.57Å; I354-L464 WeakPolarHBondContact CA-O 3.47Å; L355-L464 HydrophobicContact CB-CB 4.25Å; L355-L464 HydrophobicContact CD1-CB 4.35Å; L355-L464 HydrophobicContact CD1-CD1 4.36Å; L355-L464 PolarHBondContact N-O 2.97Å; L355-L464 PolarHBondContact O-N 3.05Å; W369-L464 HydrophobicContact CB-CD1 4.12Å; W369-L464 HydrophobicContact CB-CD2 4.3Å; W369-L464 HydrophobicContact CB-CG 4.38Å; W369-L464 HydrophobicContact CD2-CD1 3.44Å; W369-L464 VanDerWaalsContact CD2-CD1 3.44Å; W369-L464 HydrophobicContact CD2-CD2 4.4Å; W369-L464 HydrophobicContact CD2-CG 3.6Å; W369-L464 HydrophobicContact CE3-CD1 3.5Å; W369-L464 HydrophobicContact CE3-CG 4.15Å; W369-L464 HydrophobicContact CG-CD1 3.76Å; W369-L464 HydrophobicContact CG-CD2 4Å; W369-L464 HydrophobicContact CG-CG 3.73Å; W369-L464 HydrophobicContact CH2-CD1 4.29Å; W369-L464 HydrophobicContact CH2-CG 4.49Å; W369-L464 HydrophobicContact CZ2-CB 4.39Å; W369-L464 HydrophobicContact CZ2-CD1 4.26Å; W369-L464 HydrophobicContact CZ2-CG 4Å; W369-L464 HydrophobicContact CZ3-CD1 3.95Å; L452-L464 HydrophobicContact CD1-CD2 3.81Å; L452-L464 HydrophobicContact CD2-CD1 4.27Å; V456-L464 HydrophobicContact CG1-CB 4.38Å; V456-L464 HydrophobicContact CG1-CD1 3.9Å; V456-L464 HydrophobicContact CG1-CD2 3.92Å; V456-L464 HydrophobicContact CG1-CG 4.29Å; N457-L464 CarbonylContact O-C 3.54Å; N457-L464 WeakPolarHBondContact O-CA 3.26Å; K458-L464 HydrophobicContact CB-CD2 4.24Å; L464-I466 HydrophobicContact CB-CG1 4.4Å; L464-Y478 HydrophobicContact CD1-CD1 3.73Å; L464-Y478 HydrophobicContact CD1-CE1 4.29Å
465	L	82.1	Confident	75.5	Confident	53 Å²	53	51.4 Å²	51.4	28%	0.277	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.1	163.4	172.8	62.1	0	0	0	108.9	P352 I354 V456 N457 M459	P352-L465 HydrophobicContact CB-CD1 3.83Å; I354-L465 HydrophobicContact CG1-CD1 4Å; V456-L465 WeakPolarHBondContact CA-O 3.43Å; N457-L465 PolarHBondContact N-O 2.73Å; N457-L465 PolarHBondContact O-N 2.69Å; M459-L465 HydrophobicContact CG-CB 4.02Å; M459-L465 HydrophobicContact SD-CB 3.93Å
466	I	81.6	Confident	76.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.9	179.1	-59.5	-171	0	0	0	108.4	V347 P352 L353 L355 V456 L464 V474 Y478 I495	V347-I466 HydrophobicContact CG2-CG2 4.09Å; P352-I466 WeakPolarHBondContact CA-O 3.38Å; L353-I466 HydrophobicContact CB-CB 4.3Å; L353-I466 PolarHBondContact N-O 3.37Å; L353-I466 PolarHBondContact O-N 3.48Å; L355-I466 HydrophobicContact CD1-CD1 3.53Å; L355-I466 HydrophobicContact CD1-CG1 4.45Å; L355-I466 HydrophobicContact CG-CD1 4.13Å; V456-I466 HydrophobicContact CB-CG1 4.41Å; V456-I466 HydrophobicContact CG1-CD1 4.39Å; V456-I466 HydrophobicContact CG1-CG1 4Å; V456-I466 HydrophobicContact CG2-CB 4.48Å; V456-I466 HydrophobicContact CG2-CD1 4.2Å; V456-I466 HydrophobicContact CG2-CG1 3.94Å; V456-I466 HydrophobicContact CG2-CG2 4.19Å; L464-I466 HydrophobicContact CB-CG1 4.4Å; I466-V474 HydrophobicContact CG2-CB 4.17Å; I466-V474 HydrophobicContact CG2-CG1 4.37Å; I466-V474 HydrophobicContact CG2-CG2 3.71Å; I466-Y478 HydrophobicContact CD1-CE1 4.23Å; I466-I495 HydrophobicContact CD1-CD1 3.23Å
467	Y	78.4	Confident	76.6	Confident	131 Å²	131	50.8 Å²	50.8	51%	0.514	25%	0.253	S	S	.	.			trans	-133.9	107.9	-180	-178.9	-113.2	0	0	0	109.3	N350 P352 G455	N350-Y467 WeakPolarHBondContact O-CE2 3.44Å; P352-Y467 HydrophobicContact CB-CD2 4.07Å; G455-Y467 VanDerWaalsContact CA-O 3.28Å; G455-Y467 WeakPolarHBondContact CA-O 3.21Å; G455-Y467 PolarHBondContact O-N 2.68Å
468	T	68.8	Low	77.3	Confident	6 Å²	6	46 Å²	46	4%	0.037	23%	0.227	C	C	.	.			trans	-142.8	139	-170.6	-175.8	0	0	0	0	114.4	V347 N350 N470 V474 Q652	V347-T468 HydrophobicContact CG2-CG2 4.43Å; N350-T468 PolarHBondContact N-O 2.92Å; N350-T468 PolarHBondContact OD1-O 2.89Å; T468-N470 WeakPolarHBondContact CG2-O 3.4Å; T468-N470 PolarHBondContact O-N 2.84Å; T468-N470 PolarHBondContact OG1-N 2.93Å; T468-N470 PolarHBondContact OG1-O 2.85Å; T468-V474 HydrophobicContact CG2-CB 4.32Å; T468-V474 HydrophobicContact CG2-CG1 3.7Å; T468-V474 HydrophobicContact CG2-CG2 3.61Å; T468-Q652 PolarHBondContact O-NE2 3.23Å
469	W	70.2	Confident	77.7	Confident	165 Å²	165	43 Å²	43	63%	0.625	21%	0.214	S	C	*	.	S	Bend	trans	-76.6	3.6	168	69.8	-92.6	0	0	0	113.3	N350 Q652	N350-W469 VanDerWaalsContact OD1-CA 3.29Å; N350-W469 WeakPolarHBondContact OD1-CA 3.48Å; W469-Q652 VanDerWaalsContact O-CG 3.28Å; W469-Q652 WeakPolarHBondContact O-CG 3.48Å; W469-Q652 PolarHBondContact O-NE2 2.84Å
470	N	74.9	Confident	78.5	Confident	23 Å²	23	40.3 Å²	40.3	12%	0.123	20%	0.201	C	C	.	.			trans	-148.4	107.1	166	-168.3	-20.5	0	0	0	111.9	T468 S472 K473	T468-N470 WeakPolarHBondContact CG2-O 3.4Å; T468-N470 PolarHBondContact O-N 2.84Å; T468-N470 PolarHBondContact OG1-N 2.93Å; T468-N470 PolarHBondContact OG1-O 2.85Å; N470-S472 VanDerWaalsContact C-N 3.29Å; N470-S472 PolarHBondContact O-N 2.83Å; N470-S472 PolarHBondContact OD1-N 3.37Å; N470-S472 PolarHBondContact OD1-OG 2.82Å; N470-K473 HydrophobicContact CB-CB 4.32Å; N470-K473 HydrophobicContact CB-CD 4Å; N470-K473 HydrophobicContact CB-CG 3.93Å; N470-K473 WeakPolarHBondContact O-CB 3.03Å; N470-K473 PolarHBondContact O-N 3.37Å; N470-K473 VanDerWaalsContact O-N 3.07Å
471	A	74.6	Confident	79.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-49.4	-47.3	174.7	0	0	0	0	0	112.3	V347 K473 V474 T475 Q497	V347-A471 HydrophobicContact CG1-CB 3.91Å; A471-K473 PolarHBondContact O-N 2.84Å; A471-K473 VanDerWaalsContact O-N 3.09Å; A471-V474 WeakPolarHBondContact O-CG2 3.04Å; A471-V474 PolarHBondContact O-N 3.1Å; A471-T475 WeakPolarHBondContact O-CG2 3.44Å; A471-T475 PolarHBondContact O-N 2.93Å; A471-Q497 HydrophobicContact CB-CB 4.1Å; A471-Q497 HydrophobicContact CB-CG 3.79Å
472	S	75.3	Confident	80	Confident	48 Å²	48	30.4 Å²	30.4	34%	0.336	14%	0.14	S	C	.	.	H	α-helix	trans	-71.4	-4.8	-177	75.5	0	0	0	0	115	N470 T475	N470-S472 VanDerWaalsContact C-N 3.29Å; N470-S472 PolarHBondContact O-N 2.83Å; N470-S472 PolarHBondContact OD1-N 3.37Å; N470-S472 PolarHBondContact OD1-OG 2.82Å; S472-T475 WeakPolarHBondContact CA-OG1 3.47Å; S472-T475 PolarHBondContact O-OG1 3.24Å
473	K	76.7	Confident	80.2	Confident	94 Å²	94	33.6 Å²	33.6	41%	0.409	15%	0.153	S	C	.	.	H	α-helix	trans	-81.7	-28.9	167.6	-72.9	-174	177.5	178	0	113	Y371 N470 A471	Y371-K473 PolarHBondContact OH-O 3.41Å; N470-K473 HydrophobicContact CB-CB 4.32Å; N470-K473 HydrophobicContact CB-CD 4Å; N470-K473 HydrophobicContact CB-CG 3.93Å; N470-K473 WeakPolarHBondContact O-CB 3.03Å; N470-K473 PolarHBondContact O-N 3.37Å; N470-K473 VanDerWaalsContact O-N 3.07Å; A471-K473 PolarHBondContact O-N 2.84Å; A471-K473 VanDerWaalsContact O-N 3.09Å
474	V	79.5	Confident	80.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-106.5	-9.3	-177.7	-49.2	0	0	0	0	113	V347 P453 V456 I466 T468 A471 G476 Y478	V347-V474 HydrophobicContact CB-CG2 4.32Å; V347-V474 HydrophobicContact CG1-CG2 3.83Å; V347-V474 HydrophobicContact CG2-CG2 3.92Å; P453-V474 HydrophobicContact CB-CG1 4.06Å; V456-V474 HydrophobicContact CG2-CB 4.37Å; V456-V474 HydrophobicContact CG2-CG1 4.04Å; I466-V474 HydrophobicContact CG2-CB 4.17Å; I466-V474 HydrophobicContact CG2-CG1 4.37Å; I466-V474 HydrophobicContact CG2-CG2 3.71Å; T468-V474 HydrophobicContact CG2-CB 4.32Å; T468-V474 HydrophobicContact CG2-CG1 3.7Å; T468-V474 HydrophobicContact CG2-CG2 3.61Å; A471-V474 WeakPolarHBondContact O-CG2 3.04Å; A471-V474 PolarHBondContact O-N 3.1Å; V474-G476 PolarHBondContact O-N 2.86Å; V474-Y478 WeakPolarHBondContact CB-OH 3.24Å; V474-Y478 WeakPolarHBondContact O-CE2 3.45Å; V474-Y478 PolarHBondContact O-OH 3.09Å
475	T	82.6	Confident	79.9	Confident	32 Å²	32	38.8 Å²	38.8	20%	0.196	19%	0.187	C	C	.	.			trans	-59.6	128.9	169.3	49.2	0	0	0	0	111.8	V347 Y371 A471 S472 I495 Q497	V347-T475 HydrophobicContact CG1-CG2 4.35Å; Y371-T475 PolarHBondContact OH-O 2.9Å; A471-T475 WeakPolarHBondContact O-CG2 3.44Å; A471-T475 PolarHBondContact O-N 2.93Å; S472-T475 WeakPolarHBondContact CA-OG1 3.47Å; S472-T475 PolarHBondContact O-OG1 3.24Å; T475-I495 VanDerWaalsContact CA-O 3.31Å; T475-I495 WeakPolarHBondContact CA-O 3.18Å; T475-I495 WeakPolarHBondContact CB-O 3.4Å; T475-Q497 HydrophobicContact CG2-CB 3.97Å; T475-Q497 VanDerWaalsContact CG2-N 3.31Å
476	G	81.4	Confident	79.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-175.3	-175.3	0	0	0	0	0	110.6	V474 I495	V474-G476 PolarHBondContact O-N 2.86Å; G476-I495 PolarHBondContact N-O 3.4Å; G476-I495 PolarHBondContact O-N 3.1Å
477	Q	82.7	Confident	78.7	Confident	25 Å²	25	41 Å²	41	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.4	176.1	-169.6	173.1	9.8	0	0	109.5	S372 L374 F479 S492 V493	S372-Q477 PolarHBondContact N-O 3.49Å; S372-Q477 PolarHBondContact O-N 2.8Å; L374-Q477 HydrophobicContact CD1-CB 4.32Å; L374-Q477 HydrophobicContact CD2-CB 4.23Å; L374-Q477 HydrophobicContact CG-CB 4.19Å; Q477-F479 HydrophobicContact CB-CE2 4.26Å; Q477-F479 HydrophobicContact CB-CZ 4.41Å; Q477-F479 HydrophobicContact CG-CE1 4.18Å; Q477-F479 HydrophobicContact CG-CE2 3.87Å; Q477-F479 HydrophobicContact CG-CZ 3.68Å; Q477-S492 PolarHBondContact NE2-OG 2.95Å; Q477-S492 VanDerWaalsContact NE2-OG 3.11Å; Q477-V493 WeakPolarHBondContact CA-O 3.47Å
478	Y	86.4	Confident	78.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130	175.3	-65.1	-109.7	0	0	0	108.5	F370 Y371 L452 V456 L464 I466 V474 S492 V493 I495	F370-Y478 WeakPolarHBondContact O-CA 3.15Å; Y371-Y478 AromaticContact CD2-CD1 3.96Å; Y371-Y478 HydrophobicContact CD2-CD1 3.96Å; Y371-Y478 AromaticContact CD2-CD2 3.96Å; Y371-Y478 HydrophobicContact CD2-CD2 3.96Å; Y371-Y478 AromaticContact CD2-CE1 3.52Å; Y371-Y478 HydrophobicContact CD2-CE1 3.52Å; Y371-Y478 AromaticContact CD2-CE2 3.49Å; Y371-Y478 HydrophobicContact CD2-CE2 3.49Å; Y371-Y478 VanDerWaalsContact CD2-CE2 3.49Å; Y371-Y478 HydrophobicContact CD2-CG 4.16Å; Y371-Y478 AromaticContact CD2-CZ 3.28Å; Y371-Y478 HydrophobicContact CE2-CD2 4.38Å; Y371-Y478 HydrophobicContact CE2-CE1 4.23Å; Y371-Y478 AromaticContact CE2-CE2 3.59Å; Y371-Y478 HydrophobicContact CE2-CE2 3.59Å; Y371-Y478 AromaticContact CE2-CZ 3.53Å; Y371-Y478 WeakPolarHBondContact CE2-OH 3.4Å; Y371-Y478 HydrophobicContact CG-CE1 4.12Å; L452-Y478 HydrophobicContact CD2-CD1 4.42Å; L452-Y478 HydrophobicContact CD2-CE1 4.43Å; V456-Y478 HydrophobicContact CG1-CE1 4.18Å; V456-Y478 HydrophobicContact CG2-CE1 4.3Å; L464-Y478 HydrophobicContact CD1-CD1 3.73Å; L464-Y478 HydrophobicContact CD1-CE1 4.29Å; I466-Y478 HydrophobicContact CD1-CE1 4.23Å; V474-Y478 WeakPolarHBondContact CB-OH 3.24Å; V474-Y478 WeakPolarHBondContact O-CE2 3.45Å; V474-Y478 PolarHBondContact O-OH 3.09Å; Y478-S492 CarbonylContact O-C 3.22Å; Y478-S492 WeakPolarHBondContact O-CA 3.48Å; Y478-S492 WeakPolarHBondContact O-CB 3.37Å; Y478-V493 PolarHBondContact N-O 3.08Å; Y478-V493 PolarHBondContact O-N 3.37Å; Y478-I495 HydrophobicContact CD2-CB 4.49Å; Y478-I495 HydrophobicContact CD2-CD1 3.48Å; Y478-I495 VanDerWaalsContact CD2-CD1 3.48Å; Y478-I495 HydrophobicContact CD2-CG1 3.68Å; Y478-I495 HydrophobicContact CE2-CB 4.21Å; Y478-I495 HydrophobicContact CE2-CD1 3.19Å; Y478-I495 HydrophobicContact CE2-CG1 3.71Å; Y478-I495 HydrophobicContact CG-CD1 4.33Å
479	F	84.3	Confident	78.6	Confident	52 Å²	52	40 Å²	40	23%	0.228	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.8	176.1	-56.7	-93.5	0	0	0	108.5	W369 F370 Q477 I490 T491	W369-F479 WeakPolarHBondContact CA-O 3.41Å; F370-F479 HydrophobicContact CB-CB 4.42Å; F370-F479 PolarHBondContact N-O 3.03Å; F370-F479 PolarHBondContact O-N 3.36Å; Q477-F479 HydrophobicContact CB-CE2 4.26Å; Q477-F479 HydrophobicContact CB-CZ 4.41Å; Q477-F479 HydrophobicContact CG-CE1 4.18Å; Q477-F479 HydrophobicContact CG-CE2 3.87Å; Q477-F479 HydrophobicContact CG-CZ 3.68Å; F479-I490 HydrophobicContact CB-CG2 4.42Å; F479-I490 HydrophobicContact CD1-CG2 4.24Å; F479-T491 CarbonylContact C-O 3.44Å; F479-T491 WeakPolarHBondContact CA-O 3.5Å
480	C	87	Confident	79.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.7	163.9	-172.8	0	0	0	0	109.1	C357 I367 W369 I490 T491	C357-C480 HydrophobicContact CB-CB 3.82Å; C357-C480 WeakPolarHBondContact CB-SG 3.28Å; C357-C480 WeakPolarHBondContact SG-CB 3.41Å; C357-C480 CovalentContact SG-SG 2.02Å; C357-C480 PolarHBondContact SG-SG 2.77Å; I367-C480 VanDerWaalsContact CG2-SG 3.53Å; W369-C480 HydrophobicContact CD2-CB 3.77Å; W369-C480 HydrophobicContact CE3-CB 3.73Å; W369-C480 HydrophobicContact CH2-CB 3.78Å; W369-C480 HydrophobicContact CZ2-CB 3.79Å; W369-C480 HydrophobicContact CZ3-CB 3.72Å; C480-I490 WeakPolarHBondContact O-CA 3.43Å; C480-T491 HydrophobicContact CB-CG2 3.87Å; C480-T491 PolarHBondContact N-O 3.18Å; C480-T491 PolarHBondContact O-N 2.84Å
481	I	86	Confident	79.4	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.6	179.6	-54.9	-169	0	0	0	108.3	Q368 F370 L387 R488 T489 I490	Q368-I481 PolarHBondContact N-O 3.36Å; Q368-I481 PolarHBondContact O-N 2.79Å; F370-I481 HydrophobicContact CD2-CD1 3.68Å; F370-I481 HydrophobicContact CD2-CG1 4.04Å; F370-I481 HydrophobicContact CE2-CB 4.5Å; F370-I481 HydrophobicContact CE2-CD1 3.66Å; F370-I481 HydrophobicContact CE2-CG1 4.17Å; L387-I481 HydrophobicContact CD1-CD1 3.87Å; L387-I481 HydrophobicContact CD2-CD1 3.6Å; L387-I481 HydrophobicContact CG-CD1 4.2Å; I481-R488 HydrophobicContact CG2-CB 4.2Å; I481-T489 WeakPolarHBondContact CA-O 3.13Å; I481-I490 HydrophobicContact CB-CG1 4.46Å; I481-I490 HydrophobicContact CD1-CG1 4.09Å; I481-I490 HydrophobicContact CG1-CG1 3.88Å; I481-I490 HydrophobicContact CG1-CG2 4.16Å; I481-I490 HydrophobicContact CG2-CG1 4.18Å
482	A	86.2	Confident	79.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.8	171.6	0	0	0	0	0	108.5	P335 F337 A359 P365 I366 I367 R488 T489	P335-A482 HydrophobicContact CB-CB 4.09Å; P335-A482 VanDerWaalsContact CB-O 3.28Å; P335-A482 WeakPolarHBondContact CB-O 3.43Å; F337-A482 HydrophobicContact CE1-CB 4.06Å; F337-A482 HydrophobicContact CZ-CB 4.48Å; A359-A482 HydrophobicContact CB-CB 3.38Å; P365-A482 HydrophobicContact CB-CB 4.05Å; P365-A482 HydrophobicContact CG-CB 4.42Å; I366-A482 WeakPolarHBondContact O-CA 3.28Å; I367-A482 HydrophobicContact CD1-CB 3.75Å; A482-R488 CarbonylContact O-C 3.56Å; A482-R488 VanDerWaalsContact O-CA 3.25Å; A482-R488 WeakPolarHBondContact O-CA 3.3Å; A482-T489 HydrophobicContact CB-CG2 3.92Å; A482-T489 PolarHBondContact N-O 2.68Å; A482-T489 PolarHBondContact O-N 2.88Å
483	K	80.6	Confident	80.2	Confident	72 Å²	72	34.4 Å²	34.4	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.1	-175	-179.7	-179.5	178	-178.2	0	111	P365 I366 G487 R488	P365-K483 CarbonylContact C-O 3.37Å; P365-K483 WeakPolarHBondContact CA-O 3.24Å; I366-K483 PolarHBondContact N-O 2.82Å; I366-K483 PolarHBondContact O-N 3.02Å; K483-G487 WeakPolarHBondContact CA-O 2.92Å; K483-R488 HydrophobicContact CB-CB 4.2Å; K483-R488 HydrophobicContact CG-CB 4.39Å
484	N	80.9	Confident	80.7	Confident	16 Å²	16	33.1 Å²	33.1	9%	0.086	18%	0.18	C	C	.	.			trans	-120.2	-166.8	164.1	71	4.9	0	0	0	110.1	E333 P335 P363 P365 I486 G487	E333-N484 PolarHBondContact O-ND2 3.16Å; P335-N484 WeakPolarHBondContact CD-OD1 3.36Å; P335-N484 HydrophobicContact CG-CB 4.08Å; P363-N484 WeakPolarHBondContact O-CB 3.36Å; P363-N484 PolarHBondContact O-ND2 3.27Å; P365-N484 HydrophobicContact CB-CB 4.42Å; N484-I486 PolarHBondContact O-N 3.33Å; N484-I486 WeakPolarHBondContact OD1-CA 3.42Å; N484-I486 WeakPolarHBondContact OD1-CB 3.4Å; N484-I486 PolarHBondContact OD1-N 2.97Å; N484-G487 PolarHBondContact N-O 3.29Å; N484-G487 PolarHBondContact OD1-N 3.37Å; N484-G487 PolarHBondContact OD1-O 2.99Å
485	S	77.2	Confident	81	Confident	92 Å²	92	33.3 Å²	33.3	64%	0.643	18%	0.18	S	C	*	.	S	Bend	trans	-74.1	-5.9	178.3	55.1	0	0	0	0	114.5	P363	P363-S485 WeakPolarHBondContact CD-OG 3.29Å; P363-S485 WeakPolarHBondContact CG-OG 2.78Å
486	I	71.5	Confident	81	Confident	75 Å²	75	35.4 Å²	35.4	39%	0.385	19%	0.187	S	C	.	.	S	Bend	trans	-107.2	-34.8	-172.6	-44.1	-56.7	0	0	0	110.6	N332 L334 N484	N332-I486 HydrophobicContact CB-CD1 4.11Å; N332-I486 HydrophobicContact CB-CG1 4.05Å; N332-I486 WeakPolarHBondContact ND2-CD1 3.18Å; L334-I486 HydrophobicContact CD2-CB 4.44Å; L334-I486 HydrophobicContact CD2-CG2 4.01Å; L334-I486 HydrophobicContact CG-CG2 4.47Å; N484-I486 PolarHBondContact O-N 3.33Å; N484-I486 WeakPolarHBondContact OD1-CA 3.42Å; N484-I486 WeakPolarHBondContact OD1-CB 3.4Å; N484-I486 PolarHBondContact OD1-N 2.97Å
487	G	67.2	Low	80.9	Confident	24 Å²	24	37.2 Å²	37.2	25%	0.247	20%	0.195	C	C	.	.			trans	-177.3	-162.8	176.1	0	0	0	0	0	113	K483 N484	K483-G487 WeakPolarHBondContact CA-O 2.92Å; N484-G487 PolarHBondContact N-O 3.29Å; N484-G487 PolarHBondContact OD1-N 3.37Å; N484-G487 PolarHBondContact OD1-O 2.99Å
488	R	74.1	Confident	80.2	Confident	79 Å²	79	38.1 Å²	38.1	30%	0.298	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.4	175.4	61.6	-177.2	176.2	-146.6	-5.2	110.3	L387 N391 I481 A482 K483 I490	L387-R488 PolarHBondContact O-NH1 2.58Å; L387-R488 PolarHBondContact O-NH2 3.41Å; N391-R488 VanDerWaalsContact OD1-CZ 3.28Å; N391-R488 PolarHBondContact OD1-NH1 3.29Å; N391-R488 PolarHBondContact OD1-NH2 2.99Å; N391-R488 VanDerWaalsContact OD1-NH2 3.09Å; I481-R488 HydrophobicContact CG2-CB 4.2Å; A482-R488 CarbonylContact O-C 3.56Å; A482-R488 VanDerWaalsContact O-CA 3.25Å; A482-R488 WeakPolarHBondContact O-CA 3.3Å; K483-R488 HydrophobicContact CB-CB 4.2Å; K483-R488 HydrophobicContact CG-CB 4.39Å; R488-I490 HydrophobicContact CG-CD1 4.07Å
489	T	71.7	Confident	78.7	Confident	39 Å²	39	43.2 Å²	43.2	24%	0.239	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148	160.8	-167.9	0	0	0	0	109.7	P335 F337 I481 A482	P335-T489 HydrophobicContact CB-CG2 3.9Å; P335-T489 WeakPolarHBondContact O-CB 3.2Å; P335-T489 WeakPolarHBondContact O-CG2 3.45Å; F337-T489 HydrophobicContact CD2-CG2 3.81Å; F337-T489 HydrophobicContact CE1-CG2 4.13Å; F337-T489 HydrophobicContact CE2-CG2 3.36Å; F337-T489 WeakPolarHBondContact CE2-OG1 3.42Å; F337-T489 HydrophobicContact CG-CG2 4.36Å; F337-T489 HydrophobicContact CZ-CG2 3.55Å; I481-T489 WeakPolarHBondContact CA-O 3.13Å; A482-T489 HydrophobicContact CB-CG2 3.92Å; A482-T489 PolarHBondContact N-O 2.68Å; A482-T489 PolarHBondContact O-N 2.88Å
490	I	80.7	Confident	77	Confident	69 Å²	69	47 Å²	47	35%	0.354	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.4	-178.1	-56.8	104.5	0	0	0	108.6	L387 F479 C480 I481 R488	L387-I490 HydrophobicContact CD1-CD1 3.89Å; L387-I490 HydrophobicContact CD1-CG1 3.86Å; F479-I490 HydrophobicContact CB-CG2 4.42Å; F479-I490 HydrophobicContact CD1-CG2 4.24Å; C480-I490 WeakPolarHBondContact O-CA 3.43Å; I481-I490 HydrophobicContact CB-CG1 4.46Å; I481-I490 HydrophobicContact CD1-CG1 4.09Å; I481-I490 HydrophobicContact CG1-CG1 3.88Å; I481-I490 HydrophobicContact CG1-CG2 4.16Å; I481-I490 HydrophobicContact CG2-CG1 4.18Å; R488-I490 HydrophobicContact CG-CD1 4.07Å
491	T	79.9	Confident	74.5	Confident	24 Å²	24	51.1 Å²	51.1	15%	0.147	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.4	166.3	-170.2	0	0	0	0	108.7	F337 K340 P341 F479 C480	F337-T491 HydrophobicContact CD1-CG2 4.26Å; F337-T491 HydrophobicContact CD2-CG2 4.32Å; F337-T491 HydrophobicContact CE1-CG2 3.73Å; F337-T491 HydrophobicContact CE2-CG2 3.78Å; F337-T491 HydrophobicContact CZ-CG2 3.44Å; F337-T491 VanDerWaalsContact CZ-CG2 3.44Å; K340-T491 HydrophobicContact CB-CG2 4.08Å; P341-T491 HydrophobicContact CG-CG2 4.36Å; F479-T491 CarbonylContact C-O 3.44Å; F479-T491 WeakPolarHBondContact CA-O 3.5Å; C480-T491 HydrophobicContact CB-CG2 3.87Å; C480-T491 PolarHBondContact N-O 3.18Å; C480-T491 PolarHBondContact O-N 2.84Å
492	S	82.1	Confident	72.1	Confident	24 Å²	24	53.4 Å²	53.4	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.8	176.3	72.9	0	0	0	0	112.2	Q477 Y478	Q477-S492 PolarHBondContact NE2-OG 2.95Å; Q477-S492 VanDerWaalsContact NE2-OG 3.11Å; Y478-S492 CarbonylContact O-C 3.22Å; Y478-S492 WeakPolarHBondContact O-CA 3.48Å; Y478-S492 WeakPolarHBondContact O-CB 3.37Å
493	V	85.7	Confident	69.5	Low	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.8	170.6	51	0	0	0	0	109.7	P341 K342 E345 L355 W369 Q477 Y478 I495	P341-V493 HydrophobicContact CB-CB 3.82Å; P341-V493 HydrophobicContact CB-CG1 3.86Å; P341-V493 HydrophobicContact CB-CG2 4.36Å; P341-V493 HydrophobicContact CG-CB 3.81Å; P341-V493 HydrophobicContact CG-CG1 3.75Å; K342-V493 VanDerWaalsContact O-CB 3.26Å; K342-V493 WeakPolarHBondContact O-CB 3.14Å; K342-V493 WeakPolarHBondContact O-CG2 3.4Å; E345-V493 HydrophobicContact CB-CG2 3.92Å; E345-V493 HydrophobicContact CG-CG2 3.78Å; L355-V493 HydrophobicContact CD1-CG1 3.76Å; L355-V493 HydrophobicContact CD2-CG1 4.15Å; L355-V493 HydrophobicContact CD2-CG2 4.25Å; W369-V493 HydrophobicContact CZ3-CG1 4.31Å; Q477-V493 WeakPolarHBondContact CA-O 3.47Å; Y478-V493 PolarHBondContact N-O 3.08Å; Y478-V493 PolarHBondContact O-N 3.37Å; V493-I495 HydrophobicContact CG2-CG1 4.31Å
494	E	86.5	Confident	67.1	Low	68 Å²	68	67.7 Å²	67.7	32%	0.318	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.2	166.5	-172	-177.8	-171.4	0	0	108.8	S343 V344 E345 L374 K496	S343-E494 PolarHBondContact O-N 3.38Å; V344-E494 WeakPolarHBondContact CA-O 3.06Å; V344-E494 HydrophobicContact CG2-CB 4.41Å; E345-E494 PolarHBondContact N-O 3.31Å; E345-E494 VanDerWaalsContact N-O 3.09Å; L374-E494 HydrophobicContact CD1-CG 3.93Å; E494-K496 HydrophobicContact CG-CG 4.39Å; E494-K496 WeakPolarHBondContact OE1-CE 3.32Å; E494-K496 IonicContact OE1-NZ 3.54Å; E494-K496 PolarHBondContact OE1-NZ 3.34Å; E494-K496 WeakPolarHBondContact OE2-CE 3.47Å; E494-K496 IonicContact OE2-NZ 3.65Å; E494-K496 PolarHBondContact OE2-NZ 3.35Å
495	I	86.4	Confident	64.8	Low	3 Å²	3	70.9 Å²	70.9	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.3	173.9	-56.3	-172.2	0	0	0	109.1	E345 V347 L355 I466 T475 G476 Y478 V493	E345-I495 WeakPolarHBondContact O-CA 3.33Å; V347-I495 HydrophobicContact CB-CG2 3.55Å; V347-I495 HydrophobicContact CG1-CG2 3.36Å; L355-I495 HydrophobicContact CD1-CD1 3.94Å; I466-I495 HydrophobicContact CD1-CD1 3.23Å; T475-I495 VanDerWaalsContact CA-O 3.31Å; T475-I495 WeakPolarHBondContact CA-O 3.18Å; T475-I495 WeakPolarHBondContact CB-O 3.4Å; G476-I495 PolarHBondContact N-O 3.4Å; G476-I495 PolarHBondContact O-N 3.1Å; Y478-I495 HydrophobicContact CD2-CB 4.49Å; Y478-I495 HydrophobicContact CD2-CD1 3.48Å; Y478-I495 VanDerWaalsContact CD2-CD1 3.48Å; Y478-I495 HydrophobicContact CD2-CG1 3.68Å; Y478-I495 HydrophobicContact CE2-CB 4.21Å; Y478-I495 HydrophobicContact CE2-CD1 3.19Å; Y478-I495 HydrophobicContact CE2-CG1 3.71Å; Y478-I495 HydrophobicContact CG-CD1 4.33Å; V493-I495 HydrophobicContact CG2-CG1 4.31Å
496	K	83.2	Confident	62.8	Low	76 Å²	76	73.9 Å²	73.9	33%	0.33	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.5	171.4	-69.9	177.7	179.5	149.8	0	109.9	V344 E345 F346 V347 E494	V344-K496 HydrophobicContact CG1-CD 3.88Å; V344-K496 HydrophobicContact CG1-CG 4.26Å; E345-K496 PolarHBondContact O-N 2.86Å; F346-K496 CarbonylContact C-O 3.56Å; F346-K496 WeakPolarHBondContact CA-O 3.4Å; F346-K496 HydrophobicContact CD1-CB 3.82Å; F346-K496 HydrophobicContact CE1-CB 3.79Å; F346-K496 HydrophobicContact CE1-CD 4.41Å; V347-K496 PolarHBondContact N-O 3.5Å; E494-K496 HydrophobicContact CG-CG 4.39Å; E494-K496 WeakPolarHBondContact OE1-CE 3.32Å; E494-K496 IonicContact OE1-NZ 3.54Å; E494-K496 PolarHBondContact OE1-NZ 3.34Å; E494-K496 WeakPolarHBondContact OE2-CE 3.47Å; E494-K496 IonicContact OE2-NZ 3.65Å; E494-K496 PolarHBondContact OE2-NZ 3.35Å
497	Q	78.8	Confident	61.1	Low	40 Å²	40	74.3 Å²	74.3	19%	0.187	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.3	161.3	177.1	172.6	-15.8	0	0	107	A471 T475 L499 T654	A471-Q497 HydrophobicContact CB-CB 4.1Å; A471-Q497 HydrophobicContact CB-CG 3.79Å; T475-Q497 HydrophobicContact CG2-CB 3.97Å; T475-Q497 VanDerWaalsContact CG2-N 3.31Å; Q497-L499 PolarHBondContact O-N 2.88Å; Q497-T654 PolarHBondContact NE2-OG1 3.14Å
498	D	68.6	Low	59.7	Low	43 Å²	43	79.1 Å²	79.1	23%	0.23	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.1	129.3	171	-163.4	-21.5	0	0	0	109.8	F346 N348 V500	F346-D498 HydrophobicContact CB-CB 4.32Å; F346-D498 HydrophobicContact CD1-CB 4.4Å; N348-D498 VanDerWaalsContact OD1-CB 3.28Å; N348-D498 WeakPolarHBondContact OD1-CB 3.39Å; D498-V500 WeakPolarHBondContact OD1-CB 3.35Å; D498-V500 WeakPolarHBondContact OD1-CG2 3.36Å; D498-V500 PolarHBondContact OD1-N 3.32Å
499	L	54.8	Low	58.4	Low	107 Å²	107	76.5 Å²	76.5	56%	0.56	37%	0.374	S	S	*	.			trans	-111.3	-7.3	-178.2	-64.9	175.5	0	0	0	112.7	Q497 I501 Q502	Q497-L499 PolarHBondContact O-N 2.88Å; L499-I501 PolarHBondContact O-N 2.69Å; L499-Q502 HydrophobicContact CD2-CG 4.16Å; L499-Q502 VanDerWaalsContact CD2-NE2 3.3Å; L499-Q502 VanDerWaalsContact O-CB 3.31Å; L499-Q502 WeakPolarHBondContact O-CB 3.32Å; L499-Q502 PolarHBondContact O-N 2.76Å
500	V	46.9	Very low	57.6	Low	131 Å²	131	75.4 Å²	75.4	79%	0.794	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23	-178.4	-178.8	0	0	0	0	111.5	D498 Q502	D498-V500 WeakPolarHBondContact OD1-CB 3.35Å; D498-V500 WeakPolarHBondContact OD1-CG2 3.36Å; D498-V500 PolarHBondContact OD1-N 3.32Å; V500-Q502 VanDerWaalsContact C-N 3.3Å; V500-Q502 PolarHBondContact O-N 3.21Å
501	I	36	Very low	57	Low	87 Å²	87	72.2 Å²	72.2	45%	0.446	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-72.6	-14.5	173.4	-76.4	174.4	0	0	0	113.4	L499 L503 Y504 D505	L499-I501 PolarHBondContact O-N 2.69Å; I501-L503 VanDerWaalsContact C-N 3.3Å; I501-L503 PolarHBondContact O-N 3.18Å; I501-Y504 PolarHBondContact O-N 3.14Å; I501-D505 HydrophobicContact CG2-CB 3.55Å; I501-D505 WeakPolarHBondContact CG2-OD2 3.48Å; I501-D505 PolarHBondContact O-N 2.86Å; I501-D505 VanDerWaalsContact O-N 3.07Å
502	Q	35.1	Very low	56.4	Low	53 Å²	53	77 Å²	77	25%	0.248	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-75	-4.1	-172	-69.2	-150.1	1.3	0	0	116.8	L499 V500 R506	L499-Q502 HydrophobicContact CD2-CG 4.16Å; L499-Q502 VanDerWaalsContact CD2-NE2 3.3Å; L499-Q502 VanDerWaalsContact O-CB 3.31Å; L499-Q502 WeakPolarHBondContact O-CB 3.32Å; L499-Q502 PolarHBondContact O-N 2.76Å; V500-Q502 VanDerWaalsContact C-N 3.3Å; V500-Q502 PolarHBondContact O-N 3.21Å; Q502-R506 VanDerWaalsContact O-CD 3.26Å; Q502-R506 WeakPolarHBondContact O-CD 3.37Å; Q502-R506 VanDerWaalsContact O-CG 3.31Å; Q502-R506 WeakPolarHBondContact O-CG 3.36Å; Q502-R506 PolarHBondContact O-NE 2.96Å
503	L	32	Very low	56.2	Low	164 Å²	164	76.5 Å²	76.5	86%	0.859	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-94.2	-2.1	171.4	-86.2	166.1	0	0	0	114.2	I501	I501-L503 VanDerWaalsContact C-N 3.3Å; I501-L503 PolarHBondContact O-N 3.18Å
504	Y	30.8	Very low	55.8	Low	208 Å²	208	82 Å²	82	82%	0.816	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	-29.1	175.6	-104.2	-93.6	0	0	0	115.6	I501 R506	I501-Y504 PolarHBondContact O-N 3.14Å; Y504-R506 VanDerWaalsContact C-N 3.33Å; Y504-R506 PolarHBondContact O-N 3.29Å
505	D	31.9	Very low	55.4	Low	83 Å²	83	79.8 Å²	79.8	44%	0.444	38%	0.384	S	S	.	.			trans	-88.2	9.2	177.5	-93.1	-17.4	0	0	0	114.4	I501 I507 N509	I501-D505 HydrophobicContact CG2-CB 3.55Å; I501-D505 WeakPolarHBondContact CG2-OD2 3.48Å; I501-D505 PolarHBondContact O-N 2.86Å; I501-D505 VanDerWaalsContact O-N 3.07Å; D505-I507 PolarHBondContact O-N 2.78Å; D505-N509 PolarHBondContact OD1-ND2 2.8Å
506	R	33.9	Very low	55	Low	155 Å²	155	85.8 Å²	85.8	59%	0.585	41%	0.41	S	S	*	.			trans	-78.7	61.4	173.9	-79.9	-171.9	-178.8	-157.5	4.9	112.9	Q502 Y504	Q502-R506 VanDerWaalsContact O-CD 3.26Å; Q502-R506 WeakPolarHBondContact O-CD 3.37Å; Q502-R506 VanDerWaalsContact O-CG 3.31Å; Q502-R506 WeakPolarHBondContact O-CG 3.36Å; Q502-R506 PolarHBondContact O-NE 2.96Å; Y504-R506 VanDerWaalsContact C-N 3.33Å; Y504-R506 PolarHBondContact O-N 3.29Å
507	I	37.2	Very low	54.6	Low	83 Å²	83	84.5 Å²	84.5	43%	0.426	41%	0.409	S	S	.	.	S	Bend	trans	-162.9	136.5	147.7	-97.6	145	0	0	0	107.2	D505 N509 P532	D505-I507 PolarHBondContact O-N 2.78Å; I507-N509 PolarHBondContact O-N 3.36Å; I507-N509 PolarHBondContact O-OD1 2.84Å; I507-P532 HydrophobicContact CD1-CG 4.35Å
508	F	36.7	Very low	54.3	Low	125 Å²	125	84.6 Å²	84.6	55%	0.548	41%	0.411	S	S	.	.			trans	-45.2	90.2	-169.4	-66.8	-94.7	0	0	0	115.9	N510 M529 S603 I653	F508-N510 VanDerWaalsContact C-N 3.29Å; F508-N510 PolarHBondContact O-N 2.8Å; F508-M529 HydrophobicContact CB-CE 4.41Å; F508-M529 WeakPolarHBondContact O-CE 2.94Å; F508-S603 WeakPolarHBondContact O-CB 3.3Å; F508-I653 HydrophobicContact CD1-CD1 4.21Å
509	N	47.8	Very low	54.5	Low	25 Å²	25	85 Å²	85	13%	0.134	41%	0.413	C	S	.	.			trans	-82.4	2.5	-178.8	-78.8	-13.9	0	0	0	115.4	D505 I507 N601 S603 T604 L651	D505-N509 PolarHBondContact OD1-ND2 2.8Å; I507-N509 PolarHBondContact O-N 3.36Å; I507-N509 PolarHBondContact O-OD1 2.84Å; N509-N601 PolarHBondContact ND2-ND2 2.86Å; N509-N601 WeakPolarHBondContact OD1-CB 3.22Å; N509-N601 PolarHBondContact OD1-ND2 3.4Å; N509-S603 CarbonylContact O-C 3.19Å; N509-S603 VanDerWaalsContact O-CA 3.27Å; N509-S603 WeakPolarHBondContact O-CA 2.9Å; N509-S603 WeakPolarHBondContact O-CB 3.33Å; N509-T604 PolarHBondContact O-N 3.36Å; N509-L651 HydrophobicContact CB-CD1 4.35Å
510	N	53.8	Low	55.5	Low	15 Å²	15	87.1 Å²	87.1	8%	0.08	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-122.8	134.5	179.3	-43.6	9.8	0	0	0	113.2	F508 N527 T604 L651 Q652 I653	F508-N510 VanDerWaalsContact C-N 3.29Å; F508-N510 PolarHBondContact O-N 2.8Å; N510-N527 PolarHBondContact O-ND2 3.01Å; N510-T604 WeakPolarHBondContact CA-O 3.37Å; N510-L651 WeakPolarHBondContact OD1-CB 3.46Å; N510-Q652 WeakPolarHBondContact ND2-CA 3.42Å; N510-Q652 PolarHBondContact ND2-N 2.62Å; N510-Q652 PolarHBondContact ND2-O 3.46Å; N510-I653 HydrophobicContact CB-CD1 3.62Å; N510-I653 HydrophobicContact CB-CG1 4.16Å
511	I	68.3	Low	57.1	Low	2 Å²	2	81 Å²	81	1%	0.01	38%	0.377	C	S	.	.			trans	-102.7	117	169.9	-51.5	171.6	0	0	0	107.1	L513 W526 N527 Y550 I591 N592 H593 S603 T604 S605	I511-L513 PolarHBondContact O-N 3Å; I511-W526 HydrophobicContact CG2-CB 3.39Å; I511-W526 HydrophobicContact CG2-CG 3.8Å; I511-N527 WeakPolarHBondContact CA-OD1 3.28Å; I511-Y550 HydrophobicContact CD1-CD1 3.98Å; I511-Y550 HydrophobicContact CD1-CE1 3.97Å; I511-Y550 HydrophobicContact CG1-CE1 4.45Å; I511-I591 HydrophobicContact CB-CG2 3.77Å; I511-I591 HydrophobicContact CD1-CG1 4.23Å; I511-I591 HydrophobicContact CD1-CG2 4.1Å; I511-I591 HydrophobicContact CG2-CD1 4.31Å; I511-I591 HydrophobicContact CG2-CG2 3.38Å; I511-N592 VanDerWaalsContact CD1-C 3.44Å; I511-H593 HydrophobicContact CD1-CB 3.93Å; I511-S603 WeakPolarHBondContact CG1-OG 3.13Å; I511-T604 PolarHBondContact N-O 3.05Å; I511-S605 VanDerWaalsContact O-CA 3.29Å; I511-S605 WeakPolarHBondContact O-CA 3.5Å; I511-S605 WeakPolarHBondContact O-CB 3.45Å
512	M	68.8	Low	59.1	Low	124 Å²	124	76.9 Å²	76.9	61%	0.611	36%	0.356	S	S	*	.			trans	-76.2	88.6	177.6	-77.9	-165.8	66.5	0	0	109.9	H514 W526 N527	M512-H514 PolarHBondContact O-N 2.92Å; M512-W526 WeakPolarHBondContact O-CA 3.47Å; M512-N527 PolarHBondContact N-OD1 2.75Å
513	L	77.2	Confident	61.4	Low	15 Å²	15	75.6 Å²	75.6	8%	0.079	35%	0.351	C	S	.	.			trans	-78.2	109.2	179.8	-175.3	61.1	0	0	0	111.4	I511 V515 L524 F589 I591 V608	I511-L513 PolarHBondContact O-N 3Å; L513-V515 HydrophobicContact CD1-CG2 4.16Å; L513-V515 HydrophobicContact CD2-CG2 3.97Å; L513-V515 HydrophobicContact CG-CG2 3.72Å; L513-L524 HydrophobicContact CD1-CB 3.91Å; L513-L524 HydrophobicContact CD1-CD2 4.12Å; L513-L524 HydrophobicContact CD1-CG 3.95Å; L513-F589 HydrophobicContact CD2-CB 4.05Å; L513-I591 HydrophobicContact CB-CG2 4.03Å; L513-I591 HydrophobicContact CD1-CG2 3.98Å; L513-I591 HydrophobicContact CD2-CG2 4.23Å; L513-I591 HydrophobicContact CG-CG2 4.3Å; L513-V608 HydrophobicContact CB-CG2 4.26Å; L513-V608 HydrophobicContact CD2-CB 4.48Å; L513-V608 HydrophobicContact CD2-CG2 4.22Å; L513-V608 HydrophobicContact CG-CG2 4.27Å
514	H	76.6	Confident	63.8	Low	116 Å²	116	67.8 Å²	67.8	54%	0.537	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.2	163.2	-69.3	-88.8	0	0	0	109.4	M512 L524 S525	M512-H514 PolarHBondContact O-N 2.92Å; H514-L524 CarbonylContact O-C 3.24Å; H514-L524 WeakPolarHBondContact O-CA 3.42Å; H514-S525 PolarHBondContact N-O 3.09Å; H514-S525 PolarHBondContact O-N 2.98Å; H514-S525 PolarHBondContact O-OG 2.9Å
515	V	79.2	Confident	66.3	Low	20 Å²	20	59.6 Å²	59.6	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124	176.6	-173.4	0	0	0	0	109.3	L513 A522 I523 L524 F589 V608 I610	L513-V515 HydrophobicContact CD1-CG2 4.16Å; L513-V515 HydrophobicContact CD2-CG2 3.97Å; L513-V515 HydrophobicContact CG-CG2 3.72Å; V515-A522 HydrophobicContact CG1-CB 3.92Å; V515-I523 CarbonylContact C-O 3.46Å; V515-I523 WeakPolarHBondContact CA-O 3.33Å; V515-L524 HydrophobicContact CG1-CD1 4.11Å; V515-L524 HydrophobicContact CG2-CG 4.14Å; V515-F589 HydrophobicContact CG1-CD1 4.45Å; V515-F589 HydrophobicContact CG1-CD2 3.83Å; V515-F589 HydrophobicContact CG1-CE2 3.93Å; V515-F589 HydrophobicContact CG1-CG 4.09Å; V515-F589 HydrophobicContact CG1-CZ 4.3Å; V515-F589 HydrophobicContact CG2-CB 3.9Å; V515-F589 HydrophobicContact CG2-CD2 4.36Å; V515-F589 HydrophobicContact CG2-CG 4.15Å; V515-V608 HydrophobicContact CB-CG1 3.98Å; V515-V608 HydrophobicContact CG2-CB 4Å; V515-V608 HydrophobicContact CG2-CG1 3.74Å; V515-V608 HydrophobicContact CG2-CG2 4.46Å; V515-I610 HydrophobicContact CB-CD1 3.77Å; V515-I610 HydrophobicContact CG1-CD1 4.03Å; V515-I610 WeakPolarHBondContact O-CD1 3.15Å
516	K	78.2	Confident	68.7	Low	130 Å²	130	56.2 Å²	56.2	57%	0.565	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.3	170.7	174.9	173.2	-179.5	172.4	0	108.9	A522 I523	K516-A522 WeakPolarHBondContact O-CA 3.25Å; K516-I523 HydrophobicContact CB-CB 4.33Å; K516-I523 PolarHBondContact N-O 3.2Å; K516-I523 PolarHBondContact O-N 2.89Å
517	P	74.4	Confident	70.6	Confident	48 Å²	48	51.4 Å²	51.4	31%	0.312	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	152.9	175	26.1	-31.4	0	0	0	111.4	I610	P517-I610 HydrophobicContact CB-CG2 3.66Å; P517-I610 HydrophobicContact CG-CG2 3.8Å
518	L	72.5	Confident	72	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.225	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	173.1	165.9	-57.5	170.4	0	0	0	106.8	Y520 S521 I523 G613	L518-Y520 PolarHBondContact O-N 3.39Å; L518-S521 CarbonylContact C-O 3.26Å; L518-S521 WeakPolarHBondContact CA-O 3.05Å; L518-S521 VanDerWaalsContact CB-O 3.32Å; L518-S521 WeakPolarHBondContact CB-O 3.2Å; L518-S521 WeakPolarHBondContact CB-OG 3.48Å; L518-S521 PolarHBondContact N-O 3.03Å; L518-I523 HydrophobicContact CD1-CD1 3.93Å; L518-I523 HydrophobicContact CD1-CG1 3.95Å; L518-G613 CarbonylContact C-O 3.58Å
519	I	71.5	Confident	73.2	Confident	52 Å²	52	47.8 Å²	47.8	27%	0.267	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-60.3	-174.5	-39.3	-173.2	0	0	0	113.3	P583 L614	I519-P583 HydrophobicContact CG2-CB 4.16Å; I519-P583 HydrophobicContact CG2-CG 4.08Å; I519-P583 WeakPolarHBondContact O-CA 3.46Å; I519-P583 WeakPolarHBondContact O-CB 3.41Å; I519-P583 WeakPolarHBondContact O-CG 3.32Å; I519-L614 HydrophobicContact CB-CG 4.08Å; I519-L614 HydrophobicContact CD1-CD2 3.79Å; I519-L614 HydrophobicContact CD1-CG 3.82Å; I519-L614 HydrophobicContact CG1-CB 4.49Å; I519-L614 HydrophobicContact CG1-CD2 4.2Å; I519-L614 HydrophobicContact CG1-CG 3.72Å; I519-L614 HydrophobicContact CG2-CB 4.47Å; I519-L614 HydrophobicContact CG2-CD1 3.56Å; I519-L614 HydrophobicContact CG2-CG 3.54Å
520	Y	76.7	Confident	73.4	Confident	150 Å²	150	56 Å²	56	59%	0.588	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	19.3	-174.6	-59.3	-82.6	0	0	0	112.3	L518 G580 L581 P583	L518-Y520 PolarHBondContact O-N 3.39Å; Y520-G580 PolarHBondContact O-N 2.8Å; Y520-L581 CarbonylContact C-O 3.01Å; Y520-L581 WeakPolarHBondContact CA-O 3.5Å; Y520-L581 PolarHBondContact O-N 2.81Å; Y520-L581 VanDerWaalsContact O-N 3.09Å; Y520-P583 HydrophobicContact CD1-CG 3.32Å; Y520-P583 HydrophobicContact CE1-CG 3.19Å; Y520-P583 HydrophobicContact CG-CG 4.09Å
521	S	81.1	Confident	73.1	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	161.4	-164.9	42.2	0	0	0	0	112.3	L518 R577 L578 N579	L518-S521 CarbonylContact C-O 3.26Å; L518-S521 WeakPolarHBondContact CA-O 3.05Å; L518-S521 VanDerWaalsContact CB-O 3.32Å; L518-S521 WeakPolarHBondContact CB-O 3.2Å; L518-S521 WeakPolarHBondContact CB-OG 3.48Å; L518-S521 PolarHBondContact N-O 3.03Å; S521-R577 PolarHBondContact OG-NH2 2.97Å; S521-L578 CarbonylContact C-O 3.08Å; S521-L578 WeakPolarHBondContact CA-O 3.28Å; S521-L578 WeakPolarHBondContact CB-O 3.41Å; S521-N579 VanDerWaalsContact CB-OD1 3.28Å; S521-N579 WeakPolarHBondContact CB-OD1 3.41Å
522	A	77.8	Confident	71.6	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.4	170.5	0	0	0	0	0	110.1	V515 K516 L524 R577 L578 L581 F589	V515-A522 HydrophobicContact CG1-CB 3.92Å; K516-A522 WeakPolarHBondContact O-CA 3.25Å; A522-L524 HydrophobicContact CB-CD1 3.82Å; A522-R577 CarbonylContact O-C 3.56Å; A522-R577 WeakPolarHBondContact O-CA 3.27Å; A522-L578 PolarHBondContact N-O 2.98Å; A522-L578 PolarHBondContact O-N 3.39Å; A522-L581 HydrophobicContact CB-CD1 3.6Å; A522-F589 HydrophobicContact CB-CE1 3.72Å; A522-F589 HydrophobicContact CB-CE2 4.46Å; A522-F589 HydrophobicContact CB-CZ 3.59Å
523	I	82.4	Confident	69.9	Low	25 Å²	25	62.9 Å²	62.9	13%	0.128	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.2	171.8	-64.5	176.2	0	0	0	107.6	V515 K516 L518 R575 R577	V515-I523 CarbonylContact C-O 3.46Å; V515-I523 WeakPolarHBondContact CA-O 3.33Å; K516-I523 HydrophobicContact CB-CB 4.33Å; K516-I523 PolarHBondContact N-O 3.2Å; K516-I523 PolarHBondContact O-N 2.89Å; L518-I523 HydrophobicContact CD1-CD1 3.93Å; L518-I523 HydrophobicContact CD1-CG1 3.95Å; I523-R575 HydrophobicContact CG2-CG 3.99Å; I523-R575 VanDerWaalsContact CG2-NE 3.26Å; I523-R577 HydrophobicContact CG1-CB 4.36Å; I523-R577 HydrophobicContact CG1-CG 4.11Å
524	L	84.2	Confident	67.7	Low	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	140.3	173	-77	63.4	0	0	0	108.1	L513 H514 V515 A522 W526 T552 R575 I576 L578 F589	L513-L524 HydrophobicContact CD1-CB 3.91Å; L513-L524 HydrophobicContact CD1-CD2 4.12Å; L513-L524 HydrophobicContact CD1-CG 3.95Å; H514-L524 CarbonylContact O-C 3.24Å; H514-L524 WeakPolarHBondContact O-CA 3.42Å; V515-L524 HydrophobicContact CG1-CD1 4.11Å; V515-L524 HydrophobicContact CG2-CG 4.14Å; A522-L524 HydrophobicContact CB-CD1 3.82Å; L524-W526 HydrophobicContact CB-CZ3 4.39Å; L524-T552 HydrophobicContact CD2-CG2 3.65Å; L524-R575 CarbonylContact O-C 3.56Å; L524-R575 VanDerWaalsContact O-CA 3.23Å; L524-R575 WeakPolarHBondContact O-CA 3.49Å; L524-R575 WeakPolarHBondContact O-CG 3.41Å; L524-I576 HydrophobicContact CB-CG2 3.92Å; L524-I576 HydrophobicContact CD2-CG2 4.39Å; L524-I576 PolarHBondContact N-O 3.26Å; L524-I576 PolarHBondContact O-N 3.49Å; L524-I576 VanDerWaalsContact O-O 3.05Å; L524-L578 HydrophobicContact CD1-CD1 3.7Å; L524-L578 HydrophobicContact CD1-CG 3.97Å; L524-L578 HydrophobicContact CD2-CD1 3.65Å; L524-L578 HydrophobicContact CD2-CG 4.29Å; L524-L578 HydrophobicContact CG-CD1 4.35Å; L524-F589 HydrophobicContact CD1-CD1 3.9Å; L524-F589 HydrophobicContact CD1-CE1 4.11Å; L524-F589 HydrophobicContact CD2-CD1 4.32Å; L524-F589 HydrophobicContact CG-CD1 4.45Å
525	S	82.7	Confident	65.4	Low	36 Å²	36	69.8 Å²	69.8	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.1	175.4	38.7	0	0	0	0	111.5	H514 S574	H514-S525 PolarHBondContact N-O 3.09Å; H514-S525 PolarHBondContact O-N 2.98Å; H514-S525 PolarHBondContact O-OG 2.9Å; S525-S574 CarbonylContact C-O 3.41Å; S525-S574 WeakPolarHBondContact CA-O 3.48Å; S525-S574 WeakPolarHBondContact CB-O 3.36Å
526	W	81.4	Confident	63.2	Low	13 Å²	13	77.3 Å²	77.3	5%	0.049	40%	0.4	C	S	.	.			trans	-150.8	166.7	-172	62.7	101	0	0	0	113.5	I511 M512 L524 Y550 V568 T573 S574 R575 I576 I591	I511-W526 HydrophobicContact CG2-CB 3.39Å; I511-W526 HydrophobicContact CG2-CG 3.8Å; M512-W526 WeakPolarHBondContact O-CA 3.47Å; L524-W526 HydrophobicContact CB-CZ3 4.39Å; W526-Y550 AromaticContact CD1-CD1 3.96Å; W526-Y550 AromaticContact CD1-CE1 3.62Å; W526-Y550 AromaticContact CD1-CZ 3.75Å; W526-Y550 HydrophobicContact CZ2-CD2 4.22Å; W526-Y550 HydrophobicContact CZ2-CG 4.28Å; W526-Y550 AromaticContact NE1-CD1 3.53Å; W526-Y550 AromaticContact NE1-CD2 3.43Å; W526-Y550 AromaticContact NE1-CE1 3.49Å; W526-Y550 AromaticContact NE1-CE2 3.38Å; W526-Y550 AromaticContact NE1-CG 3.5Å; W526-Y550 AromaticContact NE1-CZ 3.42Å; W526-V568 HydrophobicContact CH2-CB 4.38Å; W526-V568 HydrophobicContact CH2-CG1 4.05Å; W526-V568 HydrophobicContact CH2-CG2 3.97Å; W526-V568 HydrophobicContact CZ2-CB 4.31Å; W526-V568 HydrophobicContact CZ2-CG1 4.12Å; W526-V568 HydrophobicContact CZ2-CG2 4.25Å; W526-T573 WeakPolarHBondContact CZ2-O 3.5Å; W526-S574 PolarHBondContact N-O 3.16Å; W526-S574 WeakPolarHBondContact O-CB 3.31Å; W526-R575 VanDerWaalsContact CZ3-CA 3.5Å; W526-I576 HydrophobicContact CH2-CB 4.03Å; W526-I576 HydrophobicContact CH2-CG2 4.12Å; W526-I576 HydrophobicContact CZ3-CB 4.16Å; W526-I576 HydrophobicContact CZ3-CG2 3.9Å; W526-I576 VanDerWaalsContact CZ3-N 3.34Å; W526-I591 HydrophobicContact CB-CD1 4.49Å; W526-I591 HydrophobicContact CD2-CD1 3.4Å; W526-I591 HydrophobicContact CE3-CD1 3.66Å; W526-I591 HydrophobicContact CG-CD1 3.77Å; W526-I591 HydrophobicContact CH2-CD1 4.32Å; W526-I591 HydrophobicContact CZ2-CD1 4.07Å; W526-I591 HydrophobicContact CZ3-CD1 4.11Å
527	N	74	Confident	61	Low	54 Å²	54	74.4 Å²	74.4	29%	0.289	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71.8	123.4	171	53.4	-42.7	0	0	0	111.5	N510 I511 M512 M529 Y550	N510-N527 PolarHBondContact O-ND2 3.01Å; I511-N527 WeakPolarHBondContact CA-OD1 3.28Å; M512-N527 PolarHBondContact N-OD1 2.75Å; N527-M529 PolarHBondContact O-N 3.17Å; N527-Y550 PolarHBondContact O-OH 3.46Å
528	K	67.3	Low	58.8	Low	93 Å²	93	79 Å²	79	40%	0.404	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-62.7	133.3	165.1	-69.6	-159.9	-179.6	-173.5	0	109.3	E571 Y572	K528-E571 PolarHBondContact NZ-O 3.48Å; K528-Y572 WeakPolarHBondContact CE-O 3.34Å; K528-Y572 VanDerWaalsContact NZ-C 3.26Å; K528-Y572 PolarHBondContact NZ-O 3.05Å
529	M	61.3	Low	56.8	Low	38 Å²	38	83.8 Å²	83.8	19%	0.187	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-84.1	140.4	172.5	-71.4	168.8	67.3	0	0	109.4	F508 N527 Y550 H593 S603	F508-M529 HydrophobicContact CB-CE 4.41Å; F508-M529 WeakPolarHBondContact O-CE 2.94Å; N527-M529 PolarHBondContact O-N 3.17Å; M529-Y550 PolarHBondContact N-OH 2.79Å; M529-Y550 HydrophobicContact SD-CE1 4.45Å; M529-H593 WeakPolarHBondContact CE-ND1 3.32Å; M529-H593 HydrophobicContact SD-CB 3.78Å; M529-H593 VanDerWaalsContact SD-CG 3.57Å; M529-S603 PolarHBondContact SD-OG 3.49Å
530	K	51.7	Low	54.7	Low	197 Å²	197	87.6 Å²	87.6	86%	0.857	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-93.4	131.3	172	-66.2	-175.6	177.5	-175.8	0	108.9
531	L	48.4	Very low	52.5	Low	111 Å²	111	90.4 Å²	90.4	58%	0.581	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-64.1	140.8	164.2	-92.2	71.6	0	0	0	109.3
532	P	37.5	Very low	50.1	Low	95 Å²	95	96.7 Å²	96.7	62%	0.617	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-63.8	130.6	161.6	-17.3	31.4	0	0	0	109.9	I507	I507-P532 HydrophobicContact CD1-CG 4.35Å
533	G	32.5	Very low	48	Very low	81 Å²	81	101.5 Å²	101.5	84%	0.835	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.7	171.7	0	0	0	0	0	111.6
534	M	29.8	Very low	45.8	Very low	149 Å²	149	108 Å²	108	73%	0.734	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-99.1	160.8	-178.4	-70.2	178.4	59.5	0	0	112.6
535	L	28.1	Very low	43.9	Very low	127 Å²	127	110 Å²	110	67%	0.665	61%	0.608	S	S	*	*			trans	66.1	137.3	158.4	-67.4	156.4	0	0	0	115.9
536	H	34.1	Very low	42.4	Very low	178 Å²	178	113.8 Å²	113.8	82%	0.824	62%	0.62	S	S	*	*			cis	-112	130.8	44.6	-79	-93.1	0	0	0	113.1
537	S	31.8	Very low	41.5	Very low	69 Å²	69	118.6 Å²	118.6	48%	0.483	64%	0.643	S	S	.	*				69.5	126.5	81.1	98.1	0	0	0	0	112.1
538	D	28.4	Very low	41.3	Very low	145 Å²	145	116.8 Å²	116.8	78%	0.775	63%	0.634	S	S	*	*	S	Bend	cis	-123.8	119.9	26.4	-56	-41.8	0	0	0	115.5
539	T	30.7	Very low	41.6	Very low	143 Å²	143	115.8 Å²	115.8	88%	0.877	63%	0.628	S	S	*	*			trans	-166.3	132.2	137.7	3.3	0	0	0	0	107.9
540	T	27.1	Very low	42.4	Very low	132 Å²	132	114.4 Å²	114.4	81%	0.81	62%	0.621	S	S	*	*			trans	-88.1	120.3	-169.3	48.1	0	0	0	0	112.1
541	F	29.8	Very low	43.8	Very low	208 Å²	208	105.5 Å²	105.5	91%	0.912	58%	0.583	S	S	*	*			trans	-145.1	142.5	156.1	-96.4	-73	0	0	0	111.6
542	D	31.1	Very low	45.4	Very low	136 Å²	136	100.2 Å²	100.2	73%	0.727	56%	0.555	S	S	*	*			trans	-57.8	129.3	-177.8	-84.1	-72	0	0	0	113.2
543	T	32.8	Very low	47.6	Very low	101 Å²	101	95.9 Å²	95.9	62%	0.62	53%	0.527	S	S	*	.				73.1	154.4	72.9	79.5	0	0	0	0	115.2
544	I	37	Very low	50	Low	162 Å²	162	92.6 Å²	92.6	83%	0.831	49%	0.49	S	S	*	.			trans	72.6	146.9	168.9	-56.6	154.8	0	0	0	116.4
545	G	43.5	Very low	52.4	Low	42 Å²	42	85.9 Å²	85.9	43%	0.433	46%	0.457	S	S	.	.			trans	94.5	-1.9	152	0	0	0	0	0	120.1	Q547 T596	G545-Q547 VanDerWaalsContact C-N 3.34Å; G545-Q547 PolarHBondContact O-N 3.1Å; G545-T596 PolarHBondContact O-OG1 3.31Å
546	K	52.7	Low	54.7	Low	116 Å²	116	80.3 Å²	80.3	50%	0.504	43%	0.429	S	S	.	.			trans	-77.4	75	178.6	-77.1	-167.8	171.5	-174.7	0	114	T596 H600	K546-T596 WeakPolarHBondContact CA-O 3.29Å; K546-H600 PolarHBondContact NZ-NE2 3.16Å
547	Q	62.6	Low	56.4	Low	114 Å²	114	73.3 Å²	73.3	53%	0.533	40%	0.398	S	S	.	.			trans	-90.6	125	167.3	-66.2	178.5	-44.7	0	0	109.5	G545 Y549 C595 T596	G545-Q547 VanDerWaalsContact C-N 3.34Å; G545-Q547 PolarHBondContact O-N 3.1Å; Q547-Y549 HydrophobicContact CB-CE2 3.64Å; Q547-Y549 VanDerWaalsContact CD-OH 3.29Å; Q547-Y549 PolarHBondContact OE1-OH 3Å; Q547-C595 CarbonylContact O-C 3.6Å; Q547-C595 VanDerWaalsContact O-CA 3.3Å; Q547-C595 WeakPolarHBondContact O-CA 3.43Å; Q547-T596 PolarHBondContact N-OG1 2.95Å; Q547-T596 PolarHBondContact O-N 3.47Å; Q547-T596 PolarHBondContact O-OG1 3.01Å
548	C	69	Low	58	Low	15 Å²	15	74.9 Å²	74.9	10%	0.101	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139	173.5	-63.9	0	0	0	0	110.2	P570 W594 C595	C548-P570 VanDerWaalsContact O-CB 3.26Å; C548-P570 WeakPolarHBondContact O-CB 3.3Å; C548-P570 WeakPolarHBondContact O-CD 3.33Å; C548-P570 WeakPolarHBondContact O-CG 3.46Å; C548-W594 CarbonylContact C-O 3.59Å; C548-W594 VanDerWaalsContact CA-O 3.32Å; C548-W594 WeakPolarHBondContact CA-O 3.44Å; C548-C595 HydrophobicContact CB-CB 4.16Å; C548-C595 WeakPolarHBondContact CB-SG 3.48Å; C548-C595 WeakPolarHBondContact SG-CB 3.32Å; C548-C595 CovalentContact SG-SG 2.05Å; C548-C595 PolarHBondContact SG-SG 3.38Å
549	Y	73.1	Confident	58.7	Low	72 Å²	72	71.6 Å²	71.6	28%	0.282	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.2	-178.7	-58.3	-83.6	0	0	0	110.2	Q547 I567 H593 W594	Q547-Y549 HydrophobicContact CB-CE2 3.64Å; Q547-Y549 VanDerWaalsContact CD-OH 3.29Å; Q547-Y549 PolarHBondContact OE1-OH 3Å; Y549-I567 HydrophobicContact CD1-CG2 4.05Å; Y549-I567 HydrophobicContact CG-CG2 4.34Å; Y549-H593 CarbonylContact O-C 3.22Å; Y549-H593 WeakPolarHBondContact O-CA 3.48Å; Y549-H593 PolarHBondContact O-CD2 2.93Å; Y549-W594 PolarHBondContact N-O 2.99Å; Y549-W594 PolarHBondContact O-N 3.25Å
550	Y	79.3	Confident	59.9	Low	10 Å²	10	67.7 Å²	67.7	4%	0.039	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.1	158.9	-69.5	-79.1	0	0	0	109.5	I511 W526 N527 M529 I567 V568 I591 N592 H593	I511-Y550 HydrophobicContact CD1-CD1 3.98Å; I511-Y550 HydrophobicContact CD1-CE1 3.97Å; I511-Y550 HydrophobicContact CG1-CE1 4.45Å; W526-Y550 AromaticContact CD1-CD1 3.96Å; W526-Y550 AromaticContact CD1-CE1 3.62Å; W526-Y550 AromaticContact CD1-CZ 3.75Å; W526-Y550 HydrophobicContact CZ2-CD2 4.22Å; W526-Y550 HydrophobicContact CZ2-CG 4.28Å; W526-Y550 AromaticContact NE1-CD1 3.53Å; W526-Y550 AromaticContact NE1-CD2 3.43Å; W526-Y550 AromaticContact NE1-CE1 3.49Å; W526-Y550 AromaticContact NE1-CE2 3.38Å; W526-Y550 AromaticContact NE1-CG 3.5Å; W526-Y550 AromaticContact NE1-CZ 3.42Å; N527-Y550 PolarHBondContact O-OH 3.46Å; M529-Y550 PolarHBondContact N-OH 2.79Å; M529-Y550 HydrophobicContact SD-CE1 4.45Å; Y550-I567 CarbonylContact O-C 3.12Å; Y550-I567 WeakPolarHBondContact O-CA 3.15Å; Y550-V568 PolarHBondContact N-O 3.33Å; Y550-V568 VanDerWaalsContact N-O 3.14Å; Y550-V568 PolarHBondContact O-N 3.46Å; Y550-I591 HydrophobicContact CD1-CD1 3.92Å; Y550-I591 HydrophobicContact CD1-CG1 4.21Å; Y550-I591 HydrophobicContact CG-CD1 4.21Å; Y550-N592 CarbonylContact C-O 3.6Å; Y550-N592 WeakPolarHBondContact CA-O 3.32Å; Y550-H593 HydrophobicContact CD1-CB 4.19Å; Y550-H593 AromaticContact CD1-CD2 3.85Å; Y550-H593 HydrophobicContact CE1-CB 4.05Å; Y550-H593 AromaticContact CE1-CD2 3.48Å; Y550-H593 VanDerWaalsContact CE1-CD2 3.48Å; Y550-H593 WeakPolarHBondContact CE1-CD2 3.25Å; Y550-H593 AromaticContact CZ-CD2 3.58Å
551	V	80	Confident	61.5	Low	9 Å²	9	64.7 Å²	64.7	6%	0.055	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.9	172	-171.4	0	0	0	0	107.2	Y553 T565 I567 I591 N592 W594	V551-Y553 HydrophobicContact CB-CE2 3.75Å; V551-Y553 HydrophobicContact CG1-CD2 4.33Å; V551-Y553 HydrophobicContact CG1-CE1 4.1Å; V551-Y553 HydrophobicContact CG1-CE2 3.62Å; V551-Y553 VanDerWaalsContact O-CD2 3.28Å; V551-Y553 WeakPolarHBondContact O-CD2 3.37Å; V551-Y553 WeakPolarHBondContact O-CE2 3.31Å; V551-T565 HydrophobicContact CG1-CG2 4.49Å; V551-I567 HydrophobicContact CG2-CG1 4.4Å; V551-I591 CarbonylContact O-C 3.59Å; V551-I591 VanDerWaalsContact O-CA 3.3Å; V551-I591 WeakPolarHBondContact O-CA 3.42Å; V551-N592 PolarHBondContact N-O 3.03Å; V551-N592 PolarHBondContact O-N 3.34Å; V551-W594 HydrophobicContact CG2-CB 4.45Å
552	T	83	Confident	63.4	Low	0 Å²	0	63 Å²	63	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	140.2	169.2	55.4	0	0	0	0	109.4	L524 T565 T566 V568 I576 R590 I591	L524-T552 HydrophobicContact CD2-CG2 3.65Å; T552-T565 CarbonylContact O-C 3.5Å; T552-T565 WeakPolarHBondContact O-CA 3.45Å; T552-T566 PolarHBondContact N-O 3.48Å; T552-T566 PolarHBondContact O-N 3.22Å; T552-T566 WeakPolarHBondContact OG1-CB 3.31Å; T552-T566 PolarHBondContact OG1-O 3.45Å; T552-T566 VanDerWaalsContact OG1-O 3.09Å; T552-V568 HydrophobicContact CG2-CG2 4.2Å; T552-I576 HydrophobicContact CG2-CG2 4.01Å; T552-R590 CarbonylContact C-O 3.58Å; T552-R590 WeakPolarHBondContact CA-O 3.12Å; T552-I591 HydrophobicContact CG2-CB 4.08Å; T552-I591 HydrophobicContact CG2-CD1 3.7Å; T552-I591 HydrophobicContact CG2-CG1 3.78Å
553	Y	82.7	Confident	65.5	Low	5 Å²	5	59.7 Å²	59.7	2%	0.02	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	176.3	-59.7	-97.1	0	0	0	107.3	V551 W563 T565 F589 R590 N592 P646	V551-Y553 HydrophobicContact CB-CE2 3.75Å; V551-Y553 HydrophobicContact CG1-CD2 4.33Å; V551-Y553 HydrophobicContact CG1-CE1 4.1Å; V551-Y553 HydrophobicContact CG1-CE2 3.62Å; V551-Y553 VanDerWaalsContact O-CD2 3.28Å; V551-Y553 WeakPolarHBondContact O-CD2 3.37Å; V551-Y553 WeakPolarHBondContact O-CE2 3.31Å; Y553-W563 VanDerWaalsContact CB-CE3 3.49Å; Y553-W563 HydrophobicContact CD1-CB 4.16Å; Y553-T565 HydrophobicContact CD1-CG2 3.71Å; Y553-T565 HydrophobicContact CE1-CG2 3.65Å; Y553-F589 CarbonylContact O-C 3.56Å; Y553-F589 WeakPolarHBondContact O-CA 3.48Å; Y553-R590 PolarHBondContact N-O 2.79Å; Y553-R590 PolarHBondContact O-N 3.47Å; Y553-R590 VanDerWaalsContact O-O 3.12Å; Y553-N592 HydrophobicContact CE2-CB 3.76Å; Y553-N592 WeakPolarHBondContact CE2-ND2 3.23Å; Y553-N592 PolarHBondContact OH-ND2 3.03Å; Y553-P646 HydrophobicContact CD1-CB 3.61Å; Y553-P646 HydrophobicContact CD1-CG 3.64Å; Y553-P646 HydrophobicContact CE1-CB 3.54Å; Y553-P646 HydrophobicContact CE1-CG 3.74Å; Y553-P646 HydrophobicContact CG-CB 4.23Å
554	H	83	Confident	67.6	Low	12 Å²	12	59.2 Å²	59.2	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.1	171.4	63.5	-56.1	0	0	0	110.8	I564 L578 L581 A588 F589	H554-I564 VanDerWaalsContact CE1-CG2 3.44Å; H554-I564 WeakPolarHBondContact CE1-CG2 3.3Å; H554-I564 PolarHBondContact N-O 3.28Å; H554-I564 PolarHBondContact ND1-O 2.88Å; H554-I564 WeakPolarHBondContact O-CA 3.27Å; H554-I564 VanDerWaalsContact O-CB 3.24Å; H554-I564 WeakPolarHBondContact O-CB 3.29Å; H554-I564 PolarHBondContact O-N 3.49Å; H554-L578 HydrophobicContact CB-CD1 4.07Å; H554-L581 VanDerWaalsContact CD2-CD2 3.42Å; H554-L581 WeakPolarHBondContact CD2-CD2 3.45Å; H554-A588 VanDerWaalsContact CA-O 3.24Å; H554-A588 WeakPolarHBondContact CA-O 3.46Å; H554-F589 HydrophobicContact CB-CD1 3.63Å; H554-F589 HydrophobicContact CB-CE1 3.89Å
555	S	79.9	Confident	69.5	Low	7 Å²	7	55.4 Å²	55.4	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.3	174.4	-163.7	0	0	0	0	108.5	V557 D561 E562 Y587 A588	S555-V557 PolarHBondContact O-N 3.12Å; S555-D561 PolarHBondContact OG-O 3.28Å; S555-E562 WeakPolarHBondContact CB-O 3.36Å; S555-E562 PolarHBondContact OG-O 2.85Å; S555-Y587 VanDerWaalsContact C-CD1 3.43Å; S555-Y587 CarbonylContact O-C 3.47Å; S555-Y587 VanDerWaalsContact O-CA 3.3Å; S555-Y587 WeakPolarHBondContact O-CA 3.31Å; S555-Y587 WeakPolarHBondContact O-CD1 3.5Å; S555-A588 PolarHBondContact N-O 3.48Å; S555-A588 PolarHBondContact O-N 2.95Å
556	P	76.8	Confident	70.9	Confident	11 Å²	11	55.6 Å²	55.6	7%	0.071	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	139.1	154.4	30.9	-35.5	0	0	0	107.4	R558 D561 E585 Y587	P556-R558 PolarHBondContact O-N 2.9Å; P556-D561 HydrophobicContact CG-CB 4.07Å; P556-D561 VanDerWaalsContact CG-OD2 3.23Å; P556-D561 WeakPolarHBondContact CG-OD2 3.31Å; P556-E585 WeakPolarHBondContact CB-OE2 3.47Å; P556-Y587 HydrophobicContact CB-CD1 4.48Å; P556-Y587 HydrophobicContact CB-CE1 4.13Å; P556-Y587 HydrophobicContact CG-CE1 4.49Å
557	V	70.1	Confident	71.9	Confident	30 Å²	30	55.1 Å²	55.1	18%	0.182	29%	0.293	C	S	.	.	S	Bend	trans	-76.5	78.9	176.6	-178.5	0	0	0	0	106.8	S555 L586 A588 L609 N626 N627	S555-V557 PolarHBondContact O-N 3.12Å; V557-L586 HydrophobicContact CB-CD2 4.2Å; V557-L586 HydrophobicContact CB-CG 4.28Å; V557-L586 WeakPolarHBondContact CB-O 3.16Å; V557-L586 HydrophobicContact CG1-CD2 4.45Å; V557-L586 HydrophobicContact CG2-CD2 4.34Å; V557-L586 HydrophobicContact CG2-CG 4.1Å; V557-L586 WeakPolarHBondContact CG2-O 3.21Å; V557-L586 PolarHBondContact N-O 3.26Å; V557-A588 HydrophobicContact CG2-CB 3.82Å; V557-L609 HydrophobicContact CG2-CD2 3.65Å; V557-N626 CarbonylContact O-C 3.57Å; V557-N626 VanDerWaalsContact O-O 3.09Å; V557-N627 CarbonylContact C-O 3.57Å; V557-N627 CarbonylContact O-C 3.54Å; V557-N627 VanDerWaalsContact O-CA 3.24Å; V557-N627 WeakPolarHBondContact O-CA 3.21Å; V557-N627 PolarHBondContact O-N 3.4Å
558	R	65.6	Low	72.4	Confident	103 Å²	103	50.2 Å²	50.2	39%	0.389	27%	0.271	S	S	.	.			trans	-123.6	151.7	177.1	-90.5	-155.6	-173	91.1	9.4	110.6	P556 G560 D561 E585 N627	P556-R558 PolarHBondContact O-N 2.9Å; R558-G560 PolarHBondContact O-N 2.86Å; R558-D561 HydrophobicContact CB-CB 3.81Å; R558-D561 VanDerWaalsContact CB-OD1 3.27Å; R558-D561 WeakPolarHBondContact CB-OD1 3.4Å; R558-D561 VanDerWaalsContact CB-OD2 3.31Å; R558-D561 WeakPolarHBondContact CB-OD2 3.27Å; R558-D561 PolarHBondContact O-N 3.38Å; R558-D561 VanDerWaalsContact O-N 3.1Å; R558-E585 IonicContact CZ-OE1 2.68Å; R558-E585 VanDerWaalsContact CZ-OE1 3.23Å; R558-E585 IonicContact CZ-OE2 2.69Å; R558-E585 IonicContact NH1-OE1 3.17Å; R558-E585 PolarHBondContact NH1-OE1 2.89Å; R558-E585 IonicContact NH1-OE2 3.54Å; R558-E585 PolarHBondContact NH1-OE2 3.38Å; R558-E585 VanDerWaalsContact NH2-CD 3.28Å; R558-E585 IonicContact NH2-OE1 2.68Å; R558-E585 PolarHBondContact NH2-OE1 3.35Å; R558-E585 IonicContact NH2-OE2 3.48Å; R558-N627 CarbonylContact C-O 3.5Å; R558-N627 WeakPolarHBondContact CA-O 3.37Å; R558-N627 PolarHBondContact N-O 3.23Å
559	S	43	Very low	72.2	Confident	75 Å²	75	56.6 Å²	56.6	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	96.8	-172.9	-175.1	0	0	0	0	113.1	N627 T629	S559-N627 PolarHBondContact N-O 3.4Å; S559-T629 PolarHBondContact OG-OG1 2.94Å
560	G	56.3	Low	71.5	Confident	61 Å²	61	56 Å²	56	63%	0.629	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	13.4	-177.1	0	0	0	0	0	114.7	R558 T629	R558-G560 PolarHBondContact O-N 2.86Å; G560-T629 PolarHBondContact N-O 3.03Å
561	D	59.6	Low	70.3	Confident	70 Å²	70	61.7 Å²	61.7	37%	0.374	33%	0.331	S	S	.	.			trans	-68.5	132.4	171.2	-80.7	34.7	0	0	0	109.6	S555 P556 R558	S555-D561 PolarHBondContact OG-O 3.28Å; P556-D561 HydrophobicContact CG-CB 4.07Å; P556-D561 VanDerWaalsContact CG-OD2 3.23Å; P556-D561 WeakPolarHBondContact CG-OD2 3.31Å; R558-D561 HydrophobicContact CB-CB 3.81Å; R558-D561 VanDerWaalsContact CB-OD1 3.27Å; R558-D561 WeakPolarHBondContact CB-OD1 3.4Å; R558-D561 VanDerWaalsContact CB-OD2 3.31Å; R558-D561 WeakPolarHBondContact CB-OD2 3.27Å; R558-D561 PolarHBondContact O-N 3.38Å; R558-D561 VanDerWaalsContact O-N 3.1Å
562	E	70.4	Confident	69	Low	173 Å²	173	70.5 Å²	70.5	81%	0.808	37%	0.365	S	S	*	.			trans	-71	153.3	-176.8	-64.8	-168.8	140.4	0	0	112.6	S555 I564	S555-E562 WeakPolarHBondContact CB-O 3.36Å; S555-E562 PolarHBondContact OG-O 2.85Å; E562-I564 PolarHBondContact O-N 3.27Å
563	W	75.7	Confident	68	Low	66 Å²	66	73.6 Å²	73.6	25%	0.25	38%	0.384	C	S	.	.			trans	-76.7	102	172.1	-72.1	88.4	0	0	0	110.7	Y553 T565 A588 R590 T607 P646	Y553-W563 VanDerWaalsContact CB-CE3 3.49Å; Y553-W563 HydrophobicContact CD1-CB 4.16Å; W563-T565 PolarHBondContact O-N 2.86Å; W563-T565 VanDerWaalsContact O-N 3.1Å; W563-A588 HydrophobicContact CH2-CB 3.7Å; W563-A588 HydrophobicContact CZ2-CB 4.4Å; W563-A588 HydrophobicContact CZ3-CB 3.95Å; W563-A588 WeakPolarHBondContact CZ3-O 3.43Å; W563-R590 HydrophobicContact CH2-CB 4.19Å; W563-R590 HydrophobicContact CZ3-CB 3.98Å; W563-T607 HydrophobicContact CH2-CG2 3.93Å; W563-P646 HydrophobicContact CB-CG 3.9Å; W563-P646 HydrophobicContact CG-CG 3.88Å
564	I	76.9	Confident	67.4	Low	90 Å²	90	76 Å²	76	46%	0.462	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	114.8	171.4	-48.7	171	0	0	0	108.9	H554 E562	H554-I564 VanDerWaalsContact CE1-CG2 3.44Å; H554-I564 WeakPolarHBondContact CE1-CG2 3.3Å; H554-I564 PolarHBondContact N-O 3.28Å; H554-I564 PolarHBondContact ND1-O 2.88Å; H554-I564 WeakPolarHBondContact O-CA 3.27Å; H554-I564 VanDerWaalsContact O-CB 3.24Å; H554-I564 WeakPolarHBondContact O-CB 3.29Å; H554-I564 PolarHBondContact O-N 3.49Å; E562-I564 PolarHBondContact O-N 3.27Å
565	T	76	Confident	67.2	Low	83 Å²	83	82.3 Å²	82.3	51%	0.509	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149.3	179.8	63.1	0	0	0	0	111.9	V551 T552 Y553 W563	V551-T565 HydrophobicContact CG1-CG2 4.49Å; T552-T565 CarbonylContact O-C 3.5Å; T552-T565 WeakPolarHBondContact O-CA 3.45Å; Y553-T565 HydrophobicContact CD1-CG2 3.71Å; Y553-T565 HydrophobicContact CE1-CG2 3.65Å; W563-T565 PolarHBondContact O-N 2.86Å; W563-T565 VanDerWaalsContact O-N 3.1Å
566	T	73.9	Confident	67.2	Low	45 Å²	45	83.7 Å²	83.7	28%	0.276	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	117.8	167.3	-49.2	0	0	0	0	108.9	T552 I576 L578	T552-T566 PolarHBondContact N-O 3.48Å; T552-T566 PolarHBondContact O-N 3.22Å; T552-T566 WeakPolarHBondContact OG1-CB 3.31Å; T552-T566 PolarHBondContact OG1-O 3.45Å; T552-T566 VanDerWaalsContact OG1-O 3.09Å; T566-I576 HydrophobicContact CG2-CD1 3.96Å; T566-L578 HydrophobicContact CG2-CD2 4.23Å
567	I	74	Confident	67.5	Low	107 Å²	107	89.5 Å²	89.5	55%	0.549	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.4	178.3	-54.8	177.3	0	0	0	108.3	Y549 Y550 V551	Y549-I567 HydrophobicContact CD1-CG2 4.05Å; Y549-I567 HydrophobicContact CG-CG2 4.34Å; Y550-I567 CarbonylContact O-C 3.12Å; Y550-I567 WeakPolarHBondContact O-CA 3.15Å; V551-I567 HydrophobicContact CG2-CG1 4.4Å
568	V	72.4	Confident	67.9	Low	11 Å²	11	88.4 Å²	88.4	7%	0.067	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.8	173.4	-156.4	0	0	0	0	108.3	W526 Y550 T552 I576	W526-V568 HydrophobicContact CH2-CB 4.38Å; W526-V568 HydrophobicContact CH2-CG1 4.05Å; W526-V568 HydrophobicContact CH2-CG2 3.97Å; W526-V568 HydrophobicContact CZ2-CB 4.31Å; W526-V568 HydrophobicContact CZ2-CG1 4.12Å; W526-V568 HydrophobicContact CZ2-CG2 4.25Å; Y550-V568 PolarHBondContact N-O 3.33Å; Y550-V568 VanDerWaalsContact N-O 3.14Å; Y550-V568 PolarHBondContact O-N 3.46Å; T552-V568 HydrophobicContact CG2-CG2 4.2Å; V568-I576 HydrophobicContact CG1-CD1 4.36Å; V568-I576 HydrophobicContact CG2-CB 4.46Å; V568-I576 HydrophobicContact CG2-CD1 3.86Å; V568-I576 HydrophobicContact CG2-CG2 4.47Å
569	Q	65.1	Low	68.5	Low	148 Å²	148	88.6 Å²	88.6	69%	0.692	45%	0.453	S	S	*	.			trans	-64.1	143.2	175.9	-69.2	171.8	-23.3	0	0	110.4	E571	Q569-E571 VanDerWaalsContact C-N 3.26Å; Q569-E571 PolarHBondContact O-N 2.87Å
570	P	57.8	Low	70.1	Confident	60 Å²	60	88.4 Å²	88.4	39%	0.39	46%	0.463	S	S	.	.	S	Bend	trans	-66.6	-22.4	-166.1	23	-34.2	0	0	0	115.4	C548	C548-P570 VanDerWaalsContact O-CB 3.26Å; C548-P570 WeakPolarHBondContact O-CB 3.3Å; C548-P570 WeakPolarHBondContact O-CD 3.33Å; C548-P570 WeakPolarHBondContact O-CG 3.46Å
571	E	55.2	Low	71	Confident	129 Å²	129	85.7 Å²	85.7	60%	0.603	43%	0.434	S	S	*	.	S	Bend	trans	-73	-53.8	-154.3	-56.5	-174.3	149	0	0	112.5	K528 Q569	K528-E571 PolarHBondContact NZ-O 3.48Å; Q569-E571 VanDerWaalsContact C-N 3.26Å; Q569-E571 PolarHBondContact O-N 2.87Å
572	Y	52.2	Low	71.7	Confident	195 Å²	195	86 Å²	86	77%	0.765	44%	0.435	S	S	*	.	S	Bend	trans	-103.1	-42.9	-161.9	-69.5	-71.7	0	0	0	116.5	K528	K528-Y572 WeakPolarHBondContact CE-O 3.34Å; K528-Y572 VanDerWaalsContact NZ-C 3.26Å; K528-Y572 PolarHBondContact NZ-O 3.05Å
573	T	61.1	Low	71.8	Confident	64 Å²	64	79.2 Å²	79.2	39%	0.393	41%	0.406	S	S	.	.			trans	-116.6	134.8	-166.9	65.8	0	0	0	0	116.4	W526 R575	W526-T573 WeakPolarHBondContact CZ2-O 3.5Å; T573-R575 WeakPolarHBondContact CB-O 3.46Å; T573-R575 PolarHBondContact O-N 3.17Å; T573-R575 PolarHBondContact OG1-O 3.42Å
574	S	70.2	Confident	71.4	Confident	55 Å²	55	78.7 Å²	78.7	39%	0.385	41%	0.408	S	S	.	.	S	Bend	trans	-82.3	24.9	158.3	22.1	0	0	0	0	111.5	S525 W526	S525-S574 CarbonylContact C-O 3.41Å; S525-S574 WeakPolarHBondContact CA-O 3.48Å; S525-S574 WeakPolarHBondContact CB-O 3.36Å; W526-S574 PolarHBondContact N-O 3.16Å; W526-S574 WeakPolarHBondContact O-CB 3.31Å
575	R	78.4	Confident	71.2	Confident	145 Å²	145	75 Å²	75	55%	0.547	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	131.1	-163.6	-168.4	174.1	-171.2	-174.6	1.8	111.7	I523 L524 W526 T573	I523-R575 HydrophobicContact CG2-CG 3.99Å; I523-R575 VanDerWaalsContact CG2-NE 3.26Å; L524-R575 CarbonylContact O-C 3.56Å; L524-R575 VanDerWaalsContact O-CA 3.23Å; L524-R575 WeakPolarHBondContact O-CA 3.49Å; L524-R575 WeakPolarHBondContact O-CG 3.41Å; W526-R575 VanDerWaalsContact CZ3-CA 3.5Å; T573-R575 WeakPolarHBondContact CB-O 3.46Å; T573-R575 PolarHBondContact O-N 3.17Å; T573-R575 PolarHBondContact OG1-O 3.42Å
576	I	80.5	Confident	71.3	Confident	36 Å²	36	73 Å²	73	19%	0.185	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.2	168.6	-164.5	164.4	0	0	0	109.4	L524 W526 T552 T566 V568 L578	L524-I576 HydrophobicContact CB-CG2 3.92Å; L524-I576 HydrophobicContact CD2-CG2 4.39Å; L524-I576 PolarHBondContact N-O 3.26Å; L524-I576 PolarHBondContact O-N 3.49Å; L524-I576 VanDerWaalsContact O-O 3.05Å; W526-I576 HydrophobicContact CH2-CB 4.03Å; W526-I576 HydrophobicContact CH2-CG2 4.12Å; W526-I576 HydrophobicContact CZ3-CB 4.16Å; W526-I576 HydrophobicContact CZ3-CG2 3.9Å; W526-I576 VanDerWaalsContact CZ3-N 3.34Å; T552-I576 HydrophobicContact CG2-CG2 4.01Å; T566-I576 HydrophobicContact CG2-CD1 3.96Å; V568-I576 HydrophobicContact CG1-CD1 4.36Å; V568-I576 HydrophobicContact CG2-CB 4.46Å; V568-I576 HydrophobicContact CG2-CD1 3.86Å; V568-I576 HydrophobicContact CG2-CG2 4.47Å; I576-L578 HydrophobicContact CD1-CD2 4.44Å; I576-L578 HydrophobicContact CG2-CD2 4.24Å; I576-L578 HydrophobicContact CG2-CG 4.37Å
577	R	82.9	Confident	71.6	Confident	133 Å²	133	71.2 Å²	71.2	50%	0.502	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.3	168.4	-178.3	-178.1	174.8	144.4	5.9	108	S521 A522 I523 N579	S521-R577 PolarHBondContact OG-NH2 2.97Å; A522-R577 CarbonylContact O-C 3.56Å; A522-R577 WeakPolarHBondContact O-CA 3.27Å; I523-R577 HydrophobicContact CG1-CB 4.36Å; I523-R577 HydrophobicContact CG1-CG 4.11Å; R577-N579 WeakPolarHBondContact CD-OD1 3.46Å; R577-N579 WeakPolarHBondContact CG-OD1 3.34Å; R577-N579 PolarHBondContact NE-OD1 3.42Å
578	L	79.3	Confident	71.9	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.2	169.2	-58.7	179	0	0	0	107.8	S521 A522 L524 H554 T566 I576 F589	S521-L578 CarbonylContact C-O 3.08Å; S521-L578 WeakPolarHBondContact CA-O 3.28Å; S521-L578 WeakPolarHBondContact CB-O 3.41Å; A522-L578 PolarHBondContact N-O 2.98Å; A522-L578 PolarHBondContact O-N 3.39Å; L524-L578 HydrophobicContact CD1-CD1 3.7Å; L524-L578 HydrophobicContact CD1-CG 3.97Å; L524-L578 HydrophobicContact CD2-CD1 3.65Å; L524-L578 HydrophobicContact CD2-CG 4.29Å; L524-L578 HydrophobicContact CG-CD1 4.35Å; H554-L578 HydrophobicContact CB-CD1 4.07Å; T566-L578 HydrophobicContact CG2-CD2 4.23Å; I576-L578 HydrophobicContact CD1-CD2 4.44Å; I576-L578 HydrophobicContact CG2-CD2 4.24Å; I576-L578 HydrophobicContact CG2-CG 4.37Å; L578-F589 HydrophobicContact CD1-CD1 4.21Å; L578-F589 HydrophobicContact CD1-CE1 4.21Å
579	N	78.4	Confident	72.4	Confident	106 Å²	106	66 Å²	66	57%	0.567	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	161.9	179.3	-62.2	-49.9	0	0	0	109.3	S521 R577	S521-N579 VanDerWaalsContact CB-OD1 3.28Å; S521-N579 WeakPolarHBondContact CB-OD1 3.41Å; R577-N579 WeakPolarHBondContact CD-OD1 3.46Å; R577-N579 WeakPolarHBondContact CG-OD1 3.34Å; R577-N579 PolarHBondContact NE-OD1 3.42Å
580	G	75	Confident	73.3	Confident	71 Å²	71	59.2 Å²	59.2	73%	0.732	31%	0.305	S	S	*	.			trans	85.1	17.6	-177.6	0	0	0	0	0	113.4	Y520	Y520-G580 PolarHBondContact O-N 2.8Å
581	L	76.9	Confident	74.4	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-74.7	139.8	171.9	-50.1	-172.9	0	0	0	109.6	Y520 A522 H554 P583 Y587 F589 T612	Y520-L581 CarbonylContact C-O 3.01Å; Y520-L581 WeakPolarHBondContact CA-O 3.5Å; Y520-L581 PolarHBondContact O-N 2.81Å; Y520-L581 VanDerWaalsContact O-N 3.09Å; A522-L581 HydrophobicContact CB-CD1 3.6Å; H554-L581 VanDerWaalsContact CD2-CD2 3.42Å; H554-L581 WeakPolarHBondContact CD2-CD2 3.45Å; L581-P583 WeakPolarHBondContact O-CD 3.01Å; L581-Y587 HydrophobicContact CB-CE2 3.91Å; L581-Y587 HydrophobicContact CD2-CD1 4.32Å; L581-Y587 HydrophobicContact CD2-CE1 3.91Å; L581-F589 HydrophobicContact CD1-CE1 4.03Å; L581-F589 HydrophobicContact CD1-CZ 3.75Å; L581-T612 HydrophobicContact CB-CG2 3.96Å; L581-T612 HydrophobicContact CD1-CG2 3.62Å; L581-T612 HydrophobicContact CG-CG2 4.46Å
582	I	73.5	Confident	75.7	Confident	77 Å²	77	50.6 Å²	50.6	40%	0.395	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-68.1	118	172.5	-57.7	167.8	0	0	0	106.5	E585 Y587 T612	I582-E585 HydrophobicContact CB-CB 4.26Å; I582-E585 HydrophobicContact CB-CG 4.01Å; I582-E585 VanDerWaalsContact CD1-OE1 3.28Å; I582-E585 WeakPolarHBondContact CD1-OE1 3.31Å; I582-E585 HydrophobicContact CG2-CB 4.47Å; I582-E585 HydrophobicContact CG2-CG 3.78Å; I582-E585 WeakPolarHBondContact CG2-OE1 3.46Å; I582-E585 PolarHBondContact O-N 3.19Å; I582-Y587 PolarHBondContact N-OH 2.93Å; I582-T612 PolarHBondContact O-OG1 2.85Å
583	P	72.1	Confident	76.9	Confident	30 Å²	30	42 Å²	42	20%	0.195	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	149.5	163.3	-2.1	17	0	0	0	106.7	I519 Y520 L581 I623	I519-P583 HydrophobicContact CG2-CB 4.16Å; I519-P583 HydrophobicContact CG2-CG 4.08Å; I519-P583 WeakPolarHBondContact O-CA 3.46Å; I519-P583 WeakPolarHBondContact O-CB 3.41Å; I519-P583 WeakPolarHBondContact O-CG 3.32Å; Y520-P583 HydrophobicContact CD1-CG 3.32Å; Y520-P583 HydrophobicContact CE1-CG 3.19Å; Y520-P583 HydrophobicContact CG-CG 4.09Å; L581-P583 WeakPolarHBondContact O-CD 3.01Å; P583-I623 HydrophobicContact CB-CG2 4.43Å
584	N	67.6	Low	77.3	Confident	55 Å²	55	40.9 Å²	40.9	29%	0.294	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	20.2	-170.6	-139.5	24.1	0	0	0	113	T612 I623 L624 T625	N584-T612 PolarHBondContact N-O 3.28Å; N584-I623 VanDerWaalsContact CA-CG2 3.44Å; N584-I623 HydrophobicContact CB-CB 4.48Å; N584-I623 HydrophobicContact CB-CG2 3.59Å; N584-I623 WeakPolarHBondContact OD1-CG1 3.43Å; N584-L624 CarbonylContact C-O 3.55Å; N584-L624 WeakPolarHBondContact CA-O 3.37Å; N584-L624 CarbonylContact O-C 3.09Å; N584-L624 WeakPolarHBondContact OD1-CA 3.29Å; N584-L624 WeakPolarHBondContact OD1-CB 3.35Å; N584-L624 WeakPolarHBondContact OD1-CG 3.47Å; N584-L624 PolarHBondContact OD1-N 3.42Å; N584-T625 PolarHBondContact O-N 3.08Å; N584-T625 PolarHBondContact O-OG1 3.37Å
585	E	73.7	Confident	77.2	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.065	20%	0.203	C	C	.	.			trans	-122.7	143.5	172.5	-67.6	-162.9	-154.4	0	0	119.7	P556 R558 I582 Y587 R611 T612 L624 T625	P556-E585 WeakPolarHBondContact CB-OE2 3.47Å; R558-E585 IonicContact CZ-OE1 2.68Å; R558-E585 VanDerWaalsContact CZ-OE1 3.23Å; R558-E585 IonicContact CZ-OE2 2.69Å; R558-E585 IonicContact NH1-OE1 3.17Å; R558-E585 PolarHBondContact NH1-OE1 2.89Å; R558-E585 IonicContact NH1-OE2 3.54Å; R558-E585 PolarHBondContact NH1-OE2 3.38Å; R558-E585 VanDerWaalsContact NH2-CD 3.28Å; R558-E585 IonicContact NH2-OE1 2.68Å; R558-E585 PolarHBondContact NH2-OE1 3.35Å; R558-E585 IonicContact NH2-OE2 3.48Å; I582-E585 HydrophobicContact CB-CB 4.26Å; I582-E585 HydrophobicContact CB-CG 4.01Å; I582-E585 VanDerWaalsContact CD1-OE1 3.28Å; I582-E585 WeakPolarHBondContact CD1-OE1 3.31Å; I582-E585 HydrophobicContact CG2-CB 4.47Å; I582-E585 HydrophobicContact CG2-CG 3.78Å; I582-E585 WeakPolarHBondContact CG2-OE1 3.46Å; I582-E585 PolarHBondContact O-N 3.19Å; E585-Y587 HydrophobicContact CB-CD2 4.02Å; E585-Y587 HydrophobicContact CB-CE2 3.61Å; E585-Y587 PolarHBondContact O-N 2.9Å; E585-R611 CarbonylContact O-C 3.33Å; E585-R611 WeakPolarHBondContact O-CA 3.37Å; E585-T612 PolarHBondContact N-OG1 2.98Å; E585-T612 VanDerWaalsContact N-OG1 3.15Å; E585-T612 PolarHBondContact O-N 2.76Å; E585-T612 PolarHBondContact O-OG1 3.27Å; E585-L624 CarbonylContact C-O 3.59Å; E585-L624 WeakPolarHBondContact CA-O 3.48Å; E585-L624 PolarHBondContact N-O 3.46Å; E585-T625 CarbonylContact C-O 3.17Å; E585-T625 WeakPolarHBondContact CA-O 3.43Å
586	L	76.5	Confident	76.4	Confident	41 Å²	41	35 Å²	35	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.6	172.6	179.6	68.6	0	0	0	107.5	V557 R611 T625	V557-L586 HydrophobicContact CB-CD2 4.2Å; V557-L586 HydrophobicContact CB-CG 4.28Å; V557-L586 WeakPolarHBondContact CB-O 3.16Å; V557-L586 HydrophobicContact CG1-CD2 4.45Å; V557-L586 HydrophobicContact CG2-CD2 4.34Å; V557-L586 HydrophobicContact CG2-CG 4.1Å; V557-L586 WeakPolarHBondContact CG2-O 3.21Å; V557-L586 PolarHBondContact N-O 3.26Å; L586-R611 HydrophobicContact CD1-CB 4.42Å; L586-T625 PolarHBondContact N-O 3.24Å
587	Y	80.2	Confident	75.3	Confident	7 Å²	7	37 Å²	37	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.2	178.6	-80	-94.1	0	0	0	111.7	S555 P556 L581 I582 E585 F589 L609 I610 T612	S555-Y587 VanDerWaalsContact C-CD1 3.43Å; S555-Y587 CarbonylContact O-C 3.47Å; S555-Y587 VanDerWaalsContact O-CA 3.3Å; S555-Y587 WeakPolarHBondContact O-CA 3.31Å; S555-Y587 WeakPolarHBondContact O-CD1 3.5Å; P556-Y587 HydrophobicContact CB-CD1 4.48Å; P556-Y587 HydrophobicContact CB-CE1 4.13Å; P556-Y587 HydrophobicContact CG-CE1 4.49Å; L581-Y587 HydrophobicContact CB-CE2 3.91Å; L581-Y587 HydrophobicContact CD2-CD1 4.32Å; L581-Y587 HydrophobicContact CD2-CE1 3.91Å; I582-Y587 PolarHBondContact N-OH 2.93Å; E585-Y587 HydrophobicContact CB-CD2 4.02Å; E585-Y587 HydrophobicContact CB-CE2 3.61Å; E585-Y587 PolarHBondContact O-N 2.9Å; Y587-F589 VanDerWaalsContact CB-CZ 3.49Å; Y587-F589 HydrophobicContact CG-CE2 4.39Å; Y587-F589 HydrophobicContact CG-CZ 4.08Å; Y587-L609 WeakPolarHBondContact O-CA 3.47Å; Y587-I610 PolarHBondContact N-O 3.4Å; Y587-I610 PolarHBondContact O-N 3.41Å; Y587-T612 HydrophobicContact CD2-CG2 3.41Å; Y587-T612 VanDerWaalsContact CD2-CG2 3.41Å; Y587-T612 HydrophobicContact CE2-CG2 3.81Å; Y587-T612 HydrophobicContact CG-CG2 4.32Å
588	A	80	Confident	73.9	Confident	9 Å²	9	34 Å²	34	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.9	161.4	0	0	0	0	0	108.8	H554 S555 V557 W563 T607 L609	H554-A588 VanDerWaalsContact CA-O 3.24Å; H554-A588 WeakPolarHBondContact CA-O 3.46Å; S555-A588 PolarHBondContact N-O 3.48Å; S555-A588 PolarHBondContact O-N 2.95Å; V557-A588 HydrophobicContact CG2-CB 3.82Å; W563-A588 HydrophobicContact CH2-CB 3.7Å; W563-A588 HydrophobicContact CZ2-CB 4.4Å; W563-A588 HydrophobicContact CZ3-CB 3.95Å; W563-A588 WeakPolarHBondContact CZ3-O 3.43Å; A588-T607 HydrophobicContact CB-CG2 3.78Å; A588-L609 HydrophobicContact CB-CD2 3.9Å
589	F	84	Confident	72.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142	175.7	-61.3	-87.3	0	0	0	110.8	L513 V515 A522 L524 Y553 H554 L578 L581 Y587 T607 V608 I610	L513-F589 HydrophobicContact CD2-CB 4.05Å; V515-F589 HydrophobicContact CG1-CD1 4.45Å; V515-F589 HydrophobicContact CG1-CD2 3.83Å; V515-F589 HydrophobicContact CG1-CE2 3.93Å; V515-F589 HydrophobicContact CG1-CG 4.09Å; V515-F589 HydrophobicContact CG1-CZ 4.3Å; V515-F589 HydrophobicContact CG2-CB 3.9Å; V515-F589 HydrophobicContact CG2-CD2 4.36Å; V515-F589 HydrophobicContact CG2-CG 4.15Å; A522-F589 HydrophobicContact CB-CE1 3.72Å; A522-F589 HydrophobicContact CB-CE2 4.46Å; A522-F589 HydrophobicContact CB-CZ 3.59Å; L524-F589 HydrophobicContact CD1-CD1 3.9Å; L524-F589 HydrophobicContact CD1-CE1 4.11Å; L524-F589 HydrophobicContact CD2-CD1 4.32Å; L524-F589 HydrophobicContact CG-CD1 4.45Å; Y553-F589 CarbonylContact O-C 3.56Å; Y553-F589 WeakPolarHBondContact O-CA 3.48Å; H554-F589 HydrophobicContact CB-CD1 3.63Å; H554-F589 HydrophobicContact CB-CE1 3.89Å; L578-F589 HydrophobicContact CD1-CD1 4.21Å; L578-F589 HydrophobicContact CD1-CE1 4.21Å; L581-F589 HydrophobicContact CD1-CE1 4.03Å; L581-F589 HydrophobicContact CD1-CZ 3.75Å; Y587-F589 VanDerWaalsContact CB-CZ 3.49Å; Y587-F589 HydrophobicContact CG-CE2 4.39Å; Y587-F589 HydrophobicContact CG-CZ 4.08Å; F589-T607 CarbonylContact O-C 3.57Å; F589-T607 WeakPolarHBondContact O-CA 3.04Å; F589-V608 HydrophobicContact CB-CB 4.47Å; F589-V608 PolarHBondContact N-O 3.31Å; F589-V608 PolarHBondContact O-N 3.3Å; F589-I610 HydrophobicContact CD2-CB 4.35Å; F589-I610 HydrophobicContact CE2-CB 4.08Å; F589-I610 HydrophobicContact CE2-CG2 4.47Å
590	R	83.2	Confident	71.1	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.6	175.7	172.6	171.4	159.3	-152.4	8.5	110.1	T552 Y553 W563 N592 S605 P646 Q647	T552-R590 CarbonylContact C-O 3.58Å; T552-R590 WeakPolarHBondContact CA-O 3.12Å; Y553-R590 PolarHBondContact N-O 2.79Å; Y553-R590 PolarHBondContact O-N 3.47Å; Y553-R590 VanDerWaalsContact O-O 3.12Å; W563-R590 HydrophobicContact CH2-CB 4.19Å; W563-R590 HydrophobicContact CZ3-CB 3.98Å; R590-N592 PolarHBondContact NE-OD1 2.95Å; R590-N592 PolarHBondContact NH2-OD1 2.91Å; R590-S605 WeakPolarHBondContact CA-OG 3.3Å; R590-P646 PolarHBondContact NH1-O 3.36Å; R590-Q647 VanDerWaalsContact NH1-C 3.33Å; R590-Q647 PolarHBondContact NH1-O 3.01Å; R590-Q647 PolarHBondContact NH2-O 2.82Å
591	I	82.3	Confident	69.8	Low	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142.3	172.2	-173.7	174.7	0	0	0	110	I511 L513 W526 Y550 V551 T552 T604 S605	I511-I591 HydrophobicContact CB-CG2 3.77Å; I511-I591 HydrophobicContact CD1-CG1 4.23Å; I511-I591 HydrophobicContact CD1-CG2 4.1Å; I511-I591 HydrophobicContact CG2-CD1 4.31Å; I511-I591 HydrophobicContact CG2-CG2 3.38Å; L513-I591 HydrophobicContact CB-CG2 4.03Å; L513-I591 HydrophobicContact CD1-CG2 3.98Å; L513-I591 HydrophobicContact CD2-CG2 4.23Å; L513-I591 HydrophobicContact CG-CG2 4.3Å; W526-I591 HydrophobicContact CB-CD1 4.49Å; W526-I591 HydrophobicContact CD2-CD1 3.4Å; W526-I591 HydrophobicContact CE3-CD1 3.66Å; W526-I591 HydrophobicContact CG-CD1 3.77Å; W526-I591 HydrophobicContact CH2-CD1 4.32Å; W526-I591 HydrophobicContact CZ2-CD1 4.07Å; W526-I591 HydrophobicContact CZ3-CD1 4.11Å; Y550-I591 HydrophobicContact CD1-CD1 3.92Å; Y550-I591 HydrophobicContact CD1-CG1 4.21Å; Y550-I591 HydrophobicContact CG-CD1 4.21Å; V551-I591 CarbonylContact O-C 3.59Å; V551-I591 VanDerWaalsContact O-CA 3.3Å; V551-I591 WeakPolarHBondContact O-CA 3.42Å; T552-I591 HydrophobicContact CG2-CB 4.08Å; T552-I591 HydrophobicContact CG2-CD1 3.7Å; T552-I591 HydrophobicContact CG2-CG1 3.78Å; I591-T604 CarbonylContact O-C 3.6Å; I591-T604 VanDerWaalsContact O-CA 3.3Å; I591-T604 WeakPolarHBondContact O-CA 3.46Å; I591-S605 PolarHBondContact N-OG 3.06Å; I591-S605 PolarHBondContact O-N 3.28Å
592	N	80.9	Confident	69	Low	8 Å²	8	42.2 Å²	42.2	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.6	173	-57.3	-9.6	0	0	0	109.8	I511 Y550 V551 Y553 R590 S603 T604	I511-N592 VanDerWaalsContact CD1-C 3.44Å; Y550-N592 CarbonylContact C-O 3.6Å; Y550-N592 WeakPolarHBondContact CA-O 3.32Å; V551-N592 PolarHBondContact N-O 3.03Å; V551-N592 PolarHBondContact O-N 3.34Å; Y553-N592 HydrophobicContact CE2-CB 3.76Å; Y553-N592 WeakPolarHBondContact CE2-ND2 3.23Å; Y553-N592 PolarHBondContact OH-ND2 3.03Å; R590-N592 PolarHBondContact NE-OD1 2.95Å; R590-N592 PolarHBondContact NH2-OD1 2.91Å; N592-S603 CarbonylContact C-O 3.5Å; N592-S603 VanDerWaalsContact CA-O 3.29Å; N592-S603 WeakPolarHBondContact CA-O 3.48Å; N592-T604 HydrophobicContact CB-CG2 3.88Å; N592-T604 VanDerWaalsContact OD1-CB 3.25Å; N592-T604 WeakPolarHBondContact OD1-CB 3.34Å; N592-T604 WeakPolarHBondContact OD1-CG2 3.2Å
593	H	77.2	Confident	68.6	Low	16 Å²	16	38.5 Å²	38.5	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132	170.9	-174.2	-115.1	0	0	0	109.3	I511 M529 Y549 Y550 C595 H602 S603	I511-H593 HydrophobicContact CD1-CB 3.93Å; M529-H593 WeakPolarHBondContact CE-ND1 3.32Å; M529-H593 HydrophobicContact SD-CB 3.78Å; M529-H593 VanDerWaalsContact SD-CG 3.57Å; Y549-H593 CarbonylContact O-C 3.22Å; Y549-H593 WeakPolarHBondContact O-CA 3.48Å; Y549-H593 PolarHBondContact O-CD2 2.93Å; Y550-H593 HydrophobicContact CD1-CB 4.19Å; Y550-H593 AromaticContact CD1-CD2 3.85Å; Y550-H593 HydrophobicContact CE1-CB 4.05Å; Y550-H593 AromaticContact CE1-CD2 3.48Å; Y550-H593 VanDerWaalsContact CE1-CD2 3.48Å; Y550-H593 WeakPolarHBondContact CE1-CD2 3.25Å; Y550-H593 AromaticContact CZ-CD2 3.58Å; H593-C595 PolarHBondContact CE1-SG 2.97Å; H593-H602 PolarHBondContact O-ND1 2.97Å; H593-S603 WeakPolarHBondContact CB-OG 3.07Å; H593-S603 PolarHBondContact N-O 2.93Å
594	W	71	Confident	68.3	Low	39 Å²	39	37.4 Å²	37.4	15%	0.148	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	103.3	-167.7	-99.6	76.4	0	0	0	110.5	C548 Y549 V551 H602 P643 P644	C548-W594 CarbonylContact C-O 3.59Å; C548-W594 VanDerWaalsContact CA-O 3.32Å; C548-W594 WeakPolarHBondContact CA-O 3.44Å; Y549-W594 PolarHBondContact N-O 2.99Å; Y549-W594 PolarHBondContact O-N 3.25Å; V551-W594 HydrophobicContact CG2-CB 4.45Å; W594-H602 AromaticContact CD1-ND1 3.91Å; W594-H602 AromaticContact CD2-CE1 3.52Å; W594-H602 AromaticContact CD2-ND1 3.47Å; W594-H602 AromaticContact CE2-CE1 3.5Å; W594-H602 VanDerWaalsContact CE2-CE1 3.5Å; W594-H602 AromaticContact CE2-CG 3.71Å; W594-H602 AromaticContact CE2-ND1 3.23Å; W594-H602 AromaticContact CE3-CE1 3.47Å; W594-H602 VanDerWaalsContact CE3-CE1 3.47Å; W594-H602 AromaticContact CE3-ND1 3.93Å; W594-H602 AromaticContact CG-ND1 3.81Å; W594-H602 AromaticContact CH2-CD2 3.86Å; W594-H602 AromaticContact CH2-CE1 3.29Å; W594-H602 WeakPolarHBondContact CH2-CE1 3.49Å; W594-H602 AromaticContact CH2-ND1 3.86Å; W594-H602 AromaticContact CH2-NE2 3.27Å; W594-H602 VanDerWaalsContact CH2-NE2 3.27Å; W594-H602 WeakPolarHBondContact CH2-NE2 3.32Å; W594-H602 HydrophobicContact CZ2-CB 4.42Å; W594-H602 AromaticContact CZ2-CD2 3.6Å; W594-H602 AromaticContact CZ2-CE1 3.36Å; W594-H602 WeakPolarHBondContact CZ2-CE1 3.39Å; W594-H602 AromaticContact CZ2-CG 3.55Å; W594-H602 AromaticContact CZ2-ND1 3.4Å; W594-H602 WeakPolarHBondContact CZ2-ND1 3.41Å; W594-H602 AromaticContact CZ2-NE2 3.48Å; W594-H602 WeakPolarHBondContact CZ2-NE2 3.39Å; W594-H602 AromaticContact CZ3-CE1 3.38Å; W594-H602 WeakPolarHBondContact CZ3-CE1 3.39Å; W594-H602 AromaticContact CZ3-NE2 3.74Å; W594-H602 AromaticContact NE1-CG 3.98Å; W594-H602 AromaticContact NE1-ND1 3.61Å; W594-P643 HydrophobicContact CD2-CB 3.84Å; W594-P643 HydrophobicContact CE3-CB 3.8Å; W594-P643 HydrophobicContact CG-CB 4.44Å; W594-P643 HydrophobicContact CZ3-CB 4.19Å; W594-P644 HydrophobicContact CH2-CG 3.94Å; W594-P644 HydrophobicContact CZ2-CG 3.6Å
595	C	66.5	Low	68.7	Low	18 Å²	18	34.8 Å²	34.8	12%	0.122	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.6	173.7	-62.6	0	0	0	0	110.6	Q547 C548 H593 P597	Q547-C595 CarbonylContact O-C 3.6Å; Q547-C595 VanDerWaalsContact O-CA 3.3Å; Q547-C595 WeakPolarHBondContact O-CA 3.43Å; C548-C595 HydrophobicContact CB-CB 4.16Å; C548-C595 WeakPolarHBondContact CB-SG 3.48Å; C548-C595 WeakPolarHBondContact SG-CB 3.32Å; C548-C595 CovalentContact SG-SG 2.05Å; C548-C595 PolarHBondContact SG-SG 3.38Å; H593-C595 PolarHBondContact CE1-SG 2.97Å; C595-P597 CarbonylContact O-C 3.57Å
596	T	62.6	Low	68.4	Low	58 Å²	58	36.9 Å²	36.9	36%	0.356	21%	0.207	S	C	.	.	S	Bend	trans	-90.3	148.2	163.5	53.2	0	0	0	0	110.5	G545 K546 Q547	G545-T596 PolarHBondContact O-OG1 3.31Å; K546-T596 WeakPolarHBondContact CA-O 3.29Å; Q547-T596 PolarHBondContact N-OG1 2.95Å; Q547-T596 PolarHBondContact O-N 3.47Å; Q547-T596 PolarHBondContact O-OG1 3.01Å
597	P	56.7	Low	68.2	Low	78 Å²	78	37.4 Å²	37.4	51%	0.506	21%	0.212	S	C	.	.	S	Bend	cis	-66.4	161.6	-20.8	-14.5	30.9	0	0	0	111.8	C595 N599	C595-P597 CarbonylContact O-C 3.57Å; P597-N599 PolarHBondContact O-N 3.13Å
598	S	53.3	Low	67.8	Low	71 Å²	71	38.6 Å²	38.6	50%	0.497	22%	0.22	S	C	.	.	S	Bend	trans	-65.4	5.9	-171.8	52.1	0	0	0	0	117	H600	S598-H600 PolarHBondContact O-N 3.39Å
599	N	48.4	Very low	67.6	Low	144 Å²	144	43.5 Å²	43.5	77%	0.77	24%	0.244	S	C	*	.			trans	-84.8	21.1	-176.6	-66.8	-1.1	0	0	0	113.4	P597	P597-N599 PolarHBondContact O-N 3.13Å
600	H	51.7	Low	66.8	Low	92 Å²	92	45 Å²	45	43%	0.426	25%	0.252	S	S	.	.	S	Bend	trans	-133.7	139.5	176.5	-71.5	-54.3	0	0	0	110.6	K546 S598 H602	K546-H600 PolarHBondContact NZ-NE2 3.16Å; S598-H600 PolarHBondContact O-N 3.39Å; H600-H602 PolarHBondContact O-N 2.71Å
601	N	48	Very low	66.2	Low	69 Å²	69	49.7 Å²	49.7	37%	0.369	27%	0.27	S	S	.	.			trans	-53.8	122.7	-169	-60.1	-7.9	0	0	0	113.5	N509 S603	N509-N601 PolarHBondContact ND2-ND2 2.86Å; N509-N601 WeakPolarHBondContact OD1-CB 3.22Å; N509-N601 PolarHBondContact OD1-ND2 3.4Å; N601-S603 PolarHBondContact O-N 2.93Å
602	H	60.5	Low	65.5	Low	56 Å²	56	49.7 Å²	49.7	26%	0.259	27%	0.27	S	S	.	.			trans	-76.1	101.1	171.8	-66	-69.5	0	0	0	110.2	H593 W594 H600	H593-H602 PolarHBondContact O-ND1 2.97Å; W594-H602 AromaticContact CD1-ND1 3.91Å; W594-H602 AromaticContact CD2-CE1 3.52Å; W594-H602 AromaticContact CD2-ND1 3.47Å; W594-H602 AromaticContact CE2-CE1 3.5Å; W594-H602 VanDerWaalsContact CE2-CE1 3.5Å; W594-H602 AromaticContact CE2-CG 3.71Å; W594-H602 AromaticContact CE2-ND1 3.23Å; W594-H602 AromaticContact CE3-CE1 3.47Å; W594-H602 VanDerWaalsContact CE3-CE1 3.47Å; W594-H602 AromaticContact CE3-ND1 3.93Å; W594-H602 AromaticContact CG-ND1 3.81Å; W594-H602 AromaticContact CH2-CD2 3.86Å; W594-H602 AromaticContact CH2-CE1 3.29Å; W594-H602 WeakPolarHBondContact CH2-CE1 3.49Å; W594-H602 AromaticContact CH2-ND1 3.86Å; W594-H602 AromaticContact CH2-NE2 3.27Å; W594-H602 VanDerWaalsContact CH2-NE2 3.27Å; W594-H602 WeakPolarHBondContact CH2-NE2 3.32Å; W594-H602 HydrophobicContact CZ2-CB 4.42Å; W594-H602 AromaticContact CZ2-CD2 3.6Å; W594-H602 AromaticContact CZ2-CE1 3.36Å; W594-H602 WeakPolarHBondContact CZ2-CE1 3.39Å; W594-H602 AromaticContact CZ2-CG 3.55Å; W594-H602 AromaticContact CZ2-ND1 3.4Å; W594-H602 WeakPolarHBondContact CZ2-ND1 3.41Å; W594-H602 AromaticContact CZ2-NE2 3.48Å; W594-H602 WeakPolarHBondContact CZ2-NE2 3.39Å; W594-H602 AromaticContact CZ3-CE1 3.38Å; W594-H602 WeakPolarHBondContact CZ3-CE1 3.39Å; W594-H602 AromaticContact CZ3-NE2 3.74Å; W594-H602 AromaticContact NE1-CG 3.98Å; W594-H602 AromaticContact NE1-ND1 3.61Å; H600-H602 PolarHBondContact O-N 2.71Å
603	S	63.9	Low	64.4	Low	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.			trans	-72.9	148.1	176.6	79	0	0	0	0	111.2	F508 N509 I511 M529 N592 H593 N601	F508-S603 WeakPolarHBondContact O-CB 3.3Å; N509-S603 CarbonylContact O-C 3.19Å; N509-S603 VanDerWaalsContact O-CA 3.27Å; N509-S603 WeakPolarHBondContact O-CA 2.9Å; N509-S603 WeakPolarHBondContact O-CB 3.33Å; I511-S603 WeakPolarHBondContact CG1-OG 3.13Å; M529-S603 PolarHBondContact SD-OG 3.49Å; N592-S603 CarbonylContact C-O 3.5Å; N592-S603 VanDerWaalsContact CA-O 3.29Å; N592-S603 WeakPolarHBondContact CA-O 3.48Å; H593-S603 WeakPolarHBondContact CB-OG 3.07Å; H593-S603 PolarHBondContact N-O 2.93Å; N601-S603 PolarHBondContact O-N 2.93Å
604	T	66.4	Low	62.9	Low	7 Å²	7	51.3 Å²	51.3	4%	0.043	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-143.9	156.6	178.6	70.7	0	0	0	0	111.6	N509 N510 I511 I591 N592 L649	N509-T604 PolarHBondContact O-N 3.36Å; N510-T604 WeakPolarHBondContact CA-O 3.37Å; I511-T604 PolarHBondContact N-O 3.05Å; I591-T604 CarbonylContact O-C 3.6Å; I591-T604 VanDerWaalsContact O-CA 3.3Å; I591-T604 WeakPolarHBondContact O-CA 3.46Å; N592-T604 HydrophobicContact CB-CG2 3.88Å; N592-T604 VanDerWaalsContact OD1-CB 3.25Å; N592-T604 WeakPolarHBondContact OD1-CB 3.34Å; N592-T604 WeakPolarHBondContact OD1-CG2 3.2Å; T604-L649 HydrophobicContact CG2-CD1 3.9Å; T604-L649 WeakPolarHBondContact OG1-CD1 3.37Å; T604-L649 WeakPolarHBondContact OG1-CD2 3.22Å
605	S	75	Confident	61.7	Low	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-83.7	157.4	168.8	76.3	0	0	0	0	111.3	I511 R590 I591	I511-S605 VanDerWaalsContact O-CA 3.29Å; I511-S605 WeakPolarHBondContact O-CA 3.5Å; I511-S605 WeakPolarHBondContact O-CB 3.45Å; R590-S605 WeakPolarHBondContact CA-OG 3.3Å; I591-S605 PolarHBondContact N-OG 3.06Å; I591-S605 PolarHBondContact O-N 3.28Å
606	S	67.7	Low	60.1	Low	58 Å²	58	59.8 Å²	59.8	41%	0.406	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-56.6	153.6	153.1	51	0	0	0	0	110.5	V608 K650	S606-V608 PolarHBondContact O-N 3.24Å; S606-K650 PolarHBondContact N-O 2.9Å
607	T	71.9	Confident	58.8	Low	51 Å²	51	64.1 Å²	64.1	31%	0.313	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-73.4	125.8	172.4	-61.3	0	0	0	0	110.3	W563 A588 F589	W563-T607 HydrophobicContact CH2-CG2 3.93Å; A588-T607 HydrophobicContact CB-CG2 3.78Å; F589-T607 CarbonylContact O-C 3.57Å; F589-T607 WeakPolarHBondContact O-CA 3.04Å
608	V	73.2	Confident	57.8	Low	32 Å²	32	69 Å²	69	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110	175.7	176.6	0	0	0	0	108.6	L513 V515 F589 S606 I610	L513-V608 HydrophobicContact CB-CG2 4.26Å; L513-V608 HydrophobicContact CD2-CB 4.48Å; L513-V608 HydrophobicContact CD2-CG2 4.22Å; L513-V608 HydrophobicContact CG-CG2 4.27Å; V515-V608 HydrophobicContact CB-CG1 3.98Å; V515-V608 HydrophobicContact CG2-CB 4Å; V515-V608 HydrophobicContact CG2-CG1 3.74Å; V515-V608 HydrophobicContact CG2-CG2 4.46Å; F589-V608 HydrophobicContact CB-CB 4.47Å; F589-V608 PolarHBondContact N-O 3.31Å; F589-V608 PolarHBondContact O-N 3.3Å; S606-V608 PolarHBondContact O-N 3.24Å; V608-I610 HydrophobicContact CG1-CD1 4.03Å; V608-I610 HydrophobicContact CG1-CG1 3.94Å
609	L	74.5	Confident	56.6	Low	112 Å²	112	71 Å²	71	59%	0.586	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.9	175.6	-70.6	167.1	0	0	0	109.7	V557 Y587 A588	V557-L609 HydrophobicContact CG2-CD2 3.65Å; Y587-L609 WeakPolarHBondContact O-CA 3.47Å; A588-L609 HydrophobicContact CB-CD2 3.9Å
610	I	68.7	Low	55.5	Low	33 Å²	33	65.1 Å²	65.1	17%	0.169	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.6	177	-76.6	-169.3	0	0	0	111.2	V515 P517 Y587 F589 V608	V515-I610 HydrophobicContact CB-CD1 3.77Å; V515-I610 HydrophobicContact CG1-CD1 4.03Å; V515-I610 WeakPolarHBondContact O-CD1 3.15Å; P517-I610 HydrophobicContact CB-CG2 3.66Å; P517-I610 HydrophobicContact CG-CG2 3.8Å; Y587-I610 PolarHBondContact N-O 3.4Å; Y587-I610 PolarHBondContact O-N 3.41Å; F589-I610 HydrophobicContact CD2-CB 4.35Å; F589-I610 HydrophobicContact CE2-CB 4.08Å; F589-I610 HydrophobicContact CE2-CG2 4.47Å; V608-I610 HydrophobicContact CG1-CD1 4.03Å; V608-I610 HydrophobicContact CG1-CG1 3.94Å
611	R	70.6	Confident	54.3	Low	102 Å²	102	61 Å²	61	39%	0.385	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.3	169.2	-147.9	165.7	-133.1	-162.7	0.2	108.5	E585 L586 G613 L624 N626	E585-R611 CarbonylContact O-C 3.33Å; E585-R611 WeakPolarHBondContact O-CA 3.37Å; L586-R611 HydrophobicContact CD1-CB 4.42Å; R611-G613 PolarHBondContact O-N 2.94Å; R611-L624 VanDerWaalsContact CG-C 3.46Å; R611-L624 WeakPolarHBondContact CG-O 3.36Å; R611-L624 VanDerWaalsContact NE-C 3.25Å; R611-L624 VanDerWaalsContact NH1-CD2 3.31Å; R611-N626 PolarHBondContact NH2-OD1 3.39Å
612	T	66.6	Low	53.1	Low	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.			trans	-73.6	63.8	174.6	45	0	0	0	0	110.2	L581 I582 N584 E585 Y587 L614	L581-T612 HydrophobicContact CB-CG2 3.96Å; L581-T612 HydrophobicContact CD1-CG2 3.62Å; L581-T612 HydrophobicContact CG-CG2 4.46Å; I582-T612 PolarHBondContact O-OG1 2.85Å; N584-T612 PolarHBondContact N-O 3.28Å; E585-T612 PolarHBondContact N-OG1 2.98Å; E585-T612 VanDerWaalsContact N-OG1 3.15Å; E585-T612 PolarHBondContact O-N 2.76Å; E585-T612 PolarHBondContact O-OG1 3.27Å; Y587-T612 HydrophobicContact CD2-CG2 3.41Å; Y587-T612 VanDerWaalsContact CD2-CG2 3.41Å; Y587-T612 HydrophobicContact CE2-CG2 3.81Å; Y587-T612 HydrophobicContact CG-CG2 4.32Å; T612-L614 PolarHBondContact O-N 2.78Å
613	G	58.5	Low	51.4	Low	15 Å²	15	64 Å²	64	16%	0.155	34%	0.338	C	S	.	.			trans	-65.5	128.3	164.9	0	0	0	0	0	109.7	L518 R611 L622	L518-G613 CarbonylContact C-O 3.58Å; R611-G613 PolarHBondContact O-N 2.94Å; G613-L622 WeakPolarHBondContact CA-O 3.2Å
614	L	46.2	Very low	49.5	Very low	43 Å²	43	67.9 Å²	67.9	23%	0.225	36%	0.358	C	S	.	.				-42.5	151.5	126.4	-110.4	140	0	0	0	108.1	I519 T612 A620 G621 L622	I519-L614 HydrophobicContact CB-CG 4.08Å; I519-L614 HydrophobicContact CD1-CD2 3.79Å; I519-L614 HydrophobicContact CD1-CG 3.82Å; I519-L614 HydrophobicContact CG1-CB 4.49Å; I519-L614 HydrophobicContact CG1-CD2 4.2Å; I519-L614 HydrophobicContact CG1-CG 3.72Å; I519-L614 HydrophobicContact CG2-CB 4.47Å; I519-L614 HydrophobicContact CG2-CD1 3.56Å; I519-L614 HydrophobicContact CG2-CG 3.54Å; T612-L614 PolarHBondContact O-N 2.78Å; L614-A620 VanDerWaalsContact C-C 3.46Å; L614-A620 CarbonylContact C-O 3.49Å; L614-A620 HydrophobicContact CD2-CB 3.58Å; L614-G621 CarbonylContact C-O 3.52Å; L614-G621 VanDerWaalsContact CB-CA 3.5Å; L614-G621 VanDerWaalsContact CB-N 3.31Å; L614-G621 CarbonylContact O-C 3.59Å; L614-L622 CarbonylContact C-O 3.58Å; L614-L622 VanDerWaalsContact CA-O 3.32Å; L614-L622 WeakPolarHBondContact CA-O 3.39Å; L614-L622 HydrophobicContact CB-CB 3.66Å; L614-L622 WeakPolarHBondContact CB-O 3.45Å; L614-L622 HydrophobicContact CD1-CB 3.99Å; L614-L622 HydrophobicContact CD1-CD1 4.45Å; L614-L622 HydrophobicContact CG-CB 4.26Å; L614-L622 PolarHBondContact N-O 3.33Å; L614-L622 CarbonylContact O-C 3.54Å; L614-L622 VanDerWaalsContact O-O 3.08Å
615	P	44.4	Very low	47.4	Very low	74 Å²	74	69.9 Å²	69.9	48%	0.481	37%	0.371	S	S	.	.			trans	-59.4	118.8	158.6	2.6	-0.9	0	0	0	127.8	K617 N619 A620 G621	P615-K617 PolarHBondContact O-N 3.03Å; P615-N619 VanDerWaalsContact CB-O 3.29Å; P615-N619 WeakPolarHBondContact CB-O 3.48Å; P615-N619 WeakPolarHBondContact CG-O 3.34Å; P615-A620 CarbonylContact C-O 3.07Å; P615-A620 WeakPolarHBondContact CA-O 3.45Å; P615-A620 HydrophobicContact CB-CB 4.12Å; P615-A620 WeakPolarHBondContact CB-O 3.48Å; P615-A620 VanDerWaalsContact CD-CA 3.47Å; P615-A620 WeakPolarHBondContact CD-O 3.34Å; P615-A620 HydrophobicContact CG-CB 3.09Å; P615-A620 VanDerWaalsContact CG-N 3.33Å; P615-A620 WeakPolarHBondContact CG-O 3.47Å; P615-A620 CarbonylContact O-C 3.32Å; P615-A620 WeakPolarHBondContact O-CA 3.35Å; P615-A620 PolarHBondContact O-N 3.17Å; P615-G621 CarbonylContact C-O 3.37Å; P615-G621 WeakPolarHBondContact CA-O 3.49Å; P615-G621 VanDerWaalsContact N-CA 3.31Å; P615-G621 CarbonylContact O-C 3.54Å; P615-G621 VanDerWaalsContact O-C 3.31Å; P615-G621 WeakPolarHBondContact O-CA 3.18Å; P615-G621 PolarHBondContact O-N 3.5Å; P615-G621 VanDerWaalsContact O-O 3.1Å
616	L	34.2	Very low	45.1	Very low	161 Å²	161	73.3 Å²	73.3	84%	0.843	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	113.8	-177.8	-108.1	171.8	0	0	0	113	Q618 G621	L616-Q618 CarbonylContact O-C 2.85Å; L616-Q618 PolarHBondContact O-N 3.26Å; L616-Q618 VanDerWaalsContact O-O 3.12Å; L616-G621 PolarHBondContact N-O 3Å
617	K	33.9	Very low	43	Very low	148 Å²	148	74.5 Å²	74.5	64%	0.643	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	123.7	-171.7	-83.1	-166.4	169.5	-173.4	0	108.1	P615 A620	P615-K617 PolarHBondContact O-N 3.03Å; K617-A620 HydrophobicContact CD-CB 4.45Å; K617-A620 HydrophobicContact CG-CB 4.03Å; K617-A620 VanDerWaalsContact CG-N 3.32Å
618	Q	36.8	Very low	40.9	Very low	182 Å²	182	76.3 Å²	76.3	85%	0.85	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.1	127.4	13.5	-62.4	-175.6	0.2	0	0	115	L616	L616-Q618 CarbonylContact O-C 2.85Å; L616-Q618 PolarHBondContact O-N 3.26Å; L616-Q618 VanDerWaalsContact O-O 3.12Å
619	N	27.6	Very low	38.5	Very low	111 Å²	111	78 Å²	78	59%	0.594	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	cis	-146.9	87.3	-4.1	-125.5	-24.5	0	0	0	115.2	P615	P615-N619 VanDerWaalsContact CB-O 3.29Å; P615-N619 WeakPolarHBondContact CB-O 3.48Å; P615-N619 WeakPolarHBondContact CG-O 3.34Å
620	A	25.9	Very low	36.2	Very low	22 Å²	22	79.4 Å²	79.4	18%	0.182	41%	0.413	C	S	.	.			trans	92.6	0	173.5	0	0	0	0	0	128.9	L614 P615 K617	L614-A620 VanDerWaalsContact C-C 3.46Å; L614-A620 CarbonylContact C-O 3.49Å; L614-A620 HydrophobicContact CD2-CB 3.58Å; P615-A620 CarbonylContact C-O 3.07Å; P615-A620 WeakPolarHBondContact CA-O 3.45Å; P615-A620 HydrophobicContact CB-CB 4.12Å; P615-A620 WeakPolarHBondContact CB-O 3.48Å; P615-A620 VanDerWaalsContact CD-CA 3.47Å; P615-A620 WeakPolarHBondContact CD-O 3.34Å; P615-A620 HydrophobicContact CG-CB 3.09Å; P615-A620 VanDerWaalsContact CG-N 3.33Å; P615-A620 WeakPolarHBondContact CG-O 3.47Å; P615-A620 CarbonylContact O-C 3.32Å; P615-A620 WeakPolarHBondContact O-CA 3.35Å; P615-A620 PolarHBondContact O-N 3.17Å; K617-A620 HydrophobicContact CD-CB 4.45Å; K617-A620 HydrophobicContact CG-CB 4.03Å; K617-A620 VanDerWaalsContact CG-N 3.32Å
621	G	25.6	Very low	34.1	Very low	6 Å²	6	86.4 Å²	86.4	6%	0.062	44%	0.438	C	S	.	.				0	-149.6	0	0	0	0	0	0	121.9	L614 P615 L616	L614-G621 CarbonylContact C-O 3.52Å; L614-G621 VanDerWaalsContact CB-CA 3.5Å; L614-G621 VanDerWaalsContact CB-N 3.31Å; L614-G621 CarbonylContact O-C 3.59Å; P615-G621 CarbonylContact C-O 3.37Å; P615-G621 WeakPolarHBondContact CA-O 3.49Å; P615-G621 VanDerWaalsContact N-CA 3.31Å; P615-G621 CarbonylContact O-C 3.54Å; P615-G621 VanDerWaalsContact O-C 3.31Å; P615-G621 WeakPolarHBondContact O-CA 3.18Å; P615-G621 PolarHBondContact O-N 3.5Å; P615-G621 VanDerWaalsContact O-O 3.1Å; L616-G621 PolarHBondContact N-O 3Å
622	L	23.7	Very low	31.9	Very low	107 Å²	107	88 Å²	88	56%	0.56	45%	0.454	S	S	*	.				63.4	113.2	80.5	-70.6	168.3	0	0	0	119.9	G613 L614	G613-L622 WeakPolarHBondContact CA-O 3.2Å; L614-L622 CarbonylContact C-O 3.58Å; L614-L622 VanDerWaalsContact CA-O 3.32Å; L614-L622 WeakPolarHBondContact CA-O 3.39Å; L614-L622 HydrophobicContact CB-CB 3.66Å; L614-L622 WeakPolarHBondContact CB-O 3.45Å; L614-L622 HydrophobicContact CD1-CB 3.99Å; L614-L622 HydrophobicContact CD1-CD1 4.45Å; L614-L622 HydrophobicContact CG-CB 4.26Å; L614-L622 PolarHBondContact N-O 3.33Å; L614-L622 CarbonylContact O-C 3.54Å; L614-L622 VanDerWaalsContact O-O 3.08Å
623	I	24.3	Very low	29.9	Very low	79 Å²	79	94.5 Å²	94.5	41%	0.405	48%	0.484	S	S	.	.				109.8	153.7	119.1	-110.7	-178.7	0	0	0	122.9	P583 N584	P583-I623 HydrophobicContact CB-CG2 4.43Å; N584-I623 VanDerWaalsContact CA-CG2 3.44Å; N584-I623 HydrophobicContact CB-CB 4.48Å; N584-I623 HydrophobicContact CB-CG2 3.59Å; N584-I623 WeakPolarHBondContact OD1-CG1 3.43Å
624	L	23.4	Very low	28.4	Very low	82 Å²	82	101.3 Å²	101.3	43%	0.429	51%	0.51	S	S	.	.			trans	-85.2	-147.7	-150.3	-46	170.3	0	0	0	116.7	N584 E585 R611	N584-L624 CarbonylContact C-O 3.55Å; N584-L624 WeakPolarHBondContact CA-O 3.37Å; N584-L624 CarbonylContact O-C 3.09Å; N584-L624 WeakPolarHBondContact OD1-CA 3.29Å; N584-L624 WeakPolarHBondContact OD1-CB 3.35Å; N584-L624 WeakPolarHBondContact OD1-CG 3.47Å; N584-L624 PolarHBondContact OD1-N 3.42Å; E585-L624 CarbonylContact C-O 3.59Å; E585-L624 WeakPolarHBondContact CA-O 3.48Å; E585-L624 PolarHBondContact N-O 3.46Å; R611-L624 VanDerWaalsContact CG-C 3.46Å; R611-L624 WeakPolarHBondContact CG-O 3.36Å; R611-L624 VanDerWaalsContact NE-C 3.25Å; R611-L624 VanDerWaalsContact NH1-CD2 3.31Å
625	T	23.9	Very low	27.5	Very low	50 Å²	50	106.9 Å²	106.9	31%	0.307	54%	0.535	S	S	.	.			cis	-178	159	-6.4	8	0	0	0	0	108.7	N584 E585 L586	N584-T625 PolarHBondContact O-N 3.08Å; N584-T625 PolarHBondContact O-OG1 3.37Å; E585-T625 CarbonylContact C-O 3.17Å; E585-T625 WeakPolarHBondContact CA-O 3.43Å; L586-T625 PolarHBondContact N-O 3.24Å
626	N	25.4	Very low	26.8	Very low	72 Å²	72	110.8 Å²	110.8	39%	0.385	55%	0.546	S	S	.	.			cis	-179.9	152.1	-30.1	-125.3	78.4	0	0	0	108.8	V557 R611	V557-N626 CarbonylContact O-C 3.57Å; V557-N626 VanDerWaalsContact O-O 3.09Å; R611-N626 PolarHBondContact NH2-OD1 3.39Å
627	N	24.8	Very low	26.6	Very low	82 Å²	82	110 Å²	110	44%	0.439	54%	0.543	S	S	.	.			trans	109.7	103.8	152	-60.4	-4.4	0	0	0	125.5	V557 R558 S559	V557-N627 CarbonylContact C-O 3.57Å; V557-N627 CarbonylContact O-C 3.54Å; V557-N627 VanDerWaalsContact O-CA 3.24Å; V557-N627 WeakPolarHBondContact O-CA 3.21Å; V557-N627 PolarHBondContact O-N 3.4Å; R558-N627 CarbonylContact C-O 3.5Å; R558-N627 WeakPolarHBondContact CA-O 3.37Å; R558-N627 PolarHBondContact N-O 3.23Å; S559-N627 PolarHBondContact N-O 3.4Å
628	N	26.3	Very low	26.4	Very low	90 Å²	90	107.7 Å²	107.7	48%	0.481	55%	0.551	S	S	.	*			trans	80.3	152.2	143.7	-24.8	-27.3	0	0	0	117.5
629	T	24.3	Very low	26.4	Very low	68 Å²	68	104.9 Å²	104.9	42%	0.417	54%	0.542	S	S	.	.				101.6	150.6	53.5	64.6	0	0	0	0	112.7	S559 G560	S559-T629 PolarHBondContact OG-OG1 2.94Å; G560-T629 PolarHBondContact N-O 3.03Å
630	Q	24.5	Very low	26.4	Very low	141 Å²	141	105.5 Å²	105.5	66%	0.659	56%	0.555	S	S	*	*			cis	-166.3	160.6	-11.4	-113.4	166.4	-16.8	0	0	111.4
631	Y	24.6	Very low	27	Very low	180 Å²	180	108 Å²	108	71%	0.706	57%	0.571	S	S	*	*			trans	52.9	135.4	144.1	-71.2	-49.6	0	0	0	125.5
632	L	25	Very low	27.7	Very low	136 Å²	136	115.8 Å²	115.8	71%	0.712	60%	0.604	S	S	*	*			trans	66.8	152.6	139.4	-61.9	168.1	0	0	0	119.1
633	E	24.8	Very low	28.1	Very low	135 Å²	135	114.3 Å²	114.3	63%	0.631	60%	0.601	S	S	*	*			cis	-167.1	-178.5	-21.8	-170.2	156.5	-118.7	0	0	109.1
634	F	26.4	Very low	28.7	Very low	158 Å²	158	114.3 Å²	114.3	69%	0.693	61%	0.606	S	S	*	*			trans	80.4	106.7	167.2	-62.5	-78.4	0	0	0	122.4
635	E	27.7	Very low	29.3	Very low	160 Å²	160	115.3 Å²	115.3	75%	0.748	62%	0.62	S	S	*	*				58.3	122.3	119.9	-64.3	-174.1	151.7	0	0	125.6
636	H	30.7	Very low	29.7	Very low	157 Å²	157	114.4 Å²	114.4	73%	0.727	62%	0.615	S	S	*	*			trans	70.8	121.5	134.2	-82.5	-72.4	0	0	0	125.6
637	D	29.5	Very low	30	Very low	143 Å²	143	119 Å²	119	77%	0.765	63%	0.634	S	S	*	*			trans	85.5	141.1	138.2	-68.2	0.6	0	0	0	124.3
638	A	30.1	Very low	30.1	Very low	100 Å²	100	119.9 Å²	119.9	83%	0.826	65%	0.646	S	S	*	*			trans	60.6	75.3	158.2	0	0	0	0	0	120.5
639	D	35.3	Very low	30.1	Very low	123 Å²	123	119 Å²	119	66%	0.658	64%	0.641	S	S	*	*				-176.2	136.7	108.8	-178.4	33	0	0	0	111.4	S641	D639-S641 VanDerWaalsContact C-N 3.25Å; D639-S641 PolarHBondContact O-N 3.47Å; D639-S641 WeakPolarHBondContact OD2-CB 3.38Å; D639-S641 PolarHBondContact OD2-OG 3.38Å
640	S	28.7	Very low	30.2	Very low	124 Å²	124	123.3 Å²	123.3	87%	0.867	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	38.5	-168.7	62.9	0	0	0	0	114.3
641	S	38.7	Very low	30.2	Very low	75 Å²	75	120.2 Å²	120.2	52%	0.524	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.9	-5.7	-166.3	69	0	0	0	0	116.2	D639	D639-S641 VanDerWaalsContact C-N 3.25Å; D639-S641 PolarHBondContact O-N 3.47Å; D639-S641 WeakPolarHBondContact OD2-CB 3.38Å; D639-S641 PolarHBondContact OD2-OG 3.38Å
642	K	39	Very low	30.2	Very low	170 Å²	170	113 Å²	113	74%	0.739	61%	0.614	S	S	*	*	S	Bend	trans	-132.7	149.5	-171.7	-69.1	170.6	-172.6	164.5	0	113.5
643	P	32.1	Very low	30.1	Very low	76 Å²	76	110.1 Å²	110.1	49%	0.494	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-73.5	143.7	173.2	30.8	-34.6	0	0	0	111.9	W594	W594-P643 HydrophobicContact CD2-CB 3.84Å; W594-P643 HydrophobicContact CE3-CB 3.8Å; W594-P643 HydrophobicContact CG-CB 4.44Å; W594-P643 HydrophobicContact CZ3-CB 4.19Å
644	P	37.1	Very low	30.1	Very low	79 Å²	79	105.8 Å²	105.8	51%	0.513	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-78.3	164	178.5	34.7	-36.1	0	0	0	112.6	W594	W594-P644 HydrophobicContact CH2-CG 3.94Å; W594-P644 HydrophobicContact CZ2-CG 3.6Å
645	S	36.5	Very low	30	Very low	103 Å²	103	104.1 Å²	104.1	72%	0.72	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-67.4	150.4	177	53.2	0	0	0	0	112.9	Q647	S645-Q647 PolarHBondContact O-N 3.09Å
646	P	32.2	Very low	29.8	Very low	31 Å²	31	101.5 Å²	101.5	20%	0.201	57%	0.571	C	S	.	*			trans	-85.5	80.5	-163.3	33.7	-38.1	0	0	0	115.3	Y553 W563 R590 S648	Y553-P646 HydrophobicContact CD1-CB 3.61Å; Y553-P646 HydrophobicContact CD1-CG 3.64Å; Y553-P646 HydrophobicContact CE1-CB 3.54Å; Y553-P646 HydrophobicContact CE1-CG 3.74Å; Y553-P646 HydrophobicContact CG-CB 4.23Å; W563-P646 HydrophobicContact CB-CG 3.9Å; W563-P646 HydrophobicContact CG-CG 3.88Å; R590-P646 PolarHBondContact NH1-O 3.36Å; P646-S648 PolarHBondContact O-N 3.22Å
647	Q	31.5	Very low	29.5	Very low	168 Å²	168	100.4 Å²	100.4	79%	0.785	57%	0.566	S	S	*	*			trans	-53.2	126.4	164.1	-67.6	-176.5	-9.4	0	0	111.3	R590 S645	R590-Q647 VanDerWaalsContact NH1-C 3.33Å; R590-Q647 PolarHBondContact NH1-O 3.01Å; R590-Q647 PolarHBondContact NH2-O 2.82Å; S645-Q647 PolarHBondContact O-N 3.09Å
648	S	26.8	Very low	29.4	Very low	100 Å²	100	100.5 Å²	100.5	70%	0.699	56%	0.562	S	S	*	*			trans	-65.1	139.1	-173.3	50.6	0	0	0	0	114.2	P646	P646-S648 PolarHBondContact O-N 3.22Å
649	L	25.8	Very low	29.1	Very low	71 Å²	71	106.8 Å²	106.8	37%	0.372	57%	0.566	S	S	.	*			trans	-135.2	174.5	-158.6	-126	147.3	0	0	0	117.1	T604	T604-L649 HydrophobicContact CG2-CD1 3.9Å; T604-L649 WeakPolarHBondContact OG1-CD1 3.37Å; T604-L649 WeakPolarHBondContact OG1-CD2 3.22Å
650	K	28.2	Very low	28.7	Very low	160 Å²	160	107.7 Å²	107.7	70%	0.696	57%	0.571	S	S	*	*			trans	-97.3	-164.7	-157.3	-58	174.3	176.8	174.4	0	114.3	S606	S606-K650 PolarHBondContact N-O 2.9Å
651	L	23.4	Very low	28.6	Very low	76 Å²	76	107.5 Å²	107.5	40%	0.398	57%	0.57	S	S	.	*				116.4	156.8	119.9	-111.3	169.7	0	0	0	119.3	N509 N510	N509-L651 HydrophobicContact CB-CD1 4.35Å; N510-L651 WeakPolarHBondContact OD1-CB 3.46Å
652	Q	24	Very low	28	Very low	28 Å²	28	108.7 Å²	108.7	13%	0.131	57%	0.574	C	S	.	*			trans	-146.9	155.4	-169.7	177.3	-176.6	-16.9	0	0	112.6	S349 N350 T468 W469 N510	S349-Q652 VanDerWaalsContact CA-OE1 3.31Å; S349-Q652 PolarHBondContact OG-NE2 3.04Å; N350-Q652 PolarHBondContact ND2-OE1 3Å; N350-Q652 VanDerWaalsContact ND2-OE1 3.13Å; N350-Q652 PolarHBondContact OD1-OE1 3.34Å; T468-Q652 PolarHBondContact O-NE2 3.23Å; W469-Q652 VanDerWaalsContact O-CG 3.28Å; W469-Q652 WeakPolarHBondContact O-CG 3.48Å; W469-Q652 PolarHBondContact O-NE2 2.84Å; N510-Q652 WeakPolarHBondContact ND2-CA 3.42Å; N510-Q652 PolarHBondContact ND2-N 2.62Å; N510-Q652 PolarHBondContact ND2-O 3.46Å
653	I	24.4	Very low	27.4	Very low	76 Å²	76	105.4 Å²	105.4	39%	0.39	56%	0.563	S	S	.	*			trans	-136.4	154.2	-175.2	-84.3	177.3	0	0	0	114.5	F508 N510	F508-I653 HydrophobicContact CD1-CD1 4.21Å; N510-I653 HydrophobicContact CB-CD1 3.62Å; N510-I653 HydrophobicContact CB-CG1 4.16Å
654	T	24.6	Very low	27.2	Very low	43 Å²	43	106.2 Å²	106.2	26%	0.264	57%	0.567	S	S	.	*			trans	-141.7	-148	-174.5	61.7	0	0	0	0	113.5	Q497	Q497-T654 PolarHBondContact NE2-OG1 3.14Å
655	Q	23.6	Very low	26.8	Very low	124 Å²	124	106.9 Å²	106.9	58%	0.579	56%	0.56	S	S	*	*			trans	77.9	150.5	-168.3	-62.4	-167.3	-132.2	0	0	116
656	T	23.4	Very low	26.5	Very low	105 Å²	105	109.4 Å²	109.4	64%	0.644	56%	0.557	S	S	*	*			cis	-152.7	-166.8	-21.6	26.2	0	0	0	0	108
657	E	25.5	Very low	26.4	Very low	134 Å²	134	112.9 Å²	112.9	63%	0.626	58%	0.578	S	S	*	*			cis	-163.2	-174.3	6.5	-135.4	158.4	-82.9	0	0	114.3
658	Q	25.7	Very low	26.5	Very low	144 Å²	144	111.5 Å²	111.5	67%	0.673	57%	0.571	S	S	*	*			trans	44.9	114.4	153.3	-71.8	176	46.4	0	0	122.3
659	Y	25.4	Very low	26.5	Very low	232 Å²	232	117.6 Å²	117.6	91%	0.91	58%	0.579	S	S	*	*				-162.1	126.4	121.9	-98.7	-63.9	0	0	0	110.1
660	N	25.9	Very low	26.7	Very low	142 Å²	142	118.8 Å²	118.8	76%	0.759	59%	0.586	S	S	*	*			trans	-101.9	130	-173.7	-72.1	-18.8	0	0	0	112.4	V662	N660-V662 HydrophobicContact CB-CG2 4.2Å
661	S	26.7	Very low	26.8	Very low	121 Å²	121	117 Å²	117	85%	0.846	59%	0.591	S	S	*	*			trans	-105.2	42.7	165.5	52.5	0	0	0	0	112.1	L663	S661-L663 PolarHBondContact O-N 2.82Å
662	V	26.7	Very low	27.4	Very low	100 Å²	100	122.2 Å²	122.2	61%	0.606	61%	0.613	S	S	*	*			trans	-72.2	126.6	176.6	178.3	0	0	0	0	109.8	N660 T664	N660-V662 HydrophobicContact CB-CG2 4.2Å; V662-T664 VanDerWaalsContact C-N 3.27Å; V662-T664 HydrophobicContact CB-CG2 4.11Å; V662-T664 HydrophobicContact CG1-CG2 3.69Å; V662-T664 PolarHBondContact O-N 3.11Å
663	L	26.3	Very low	27.5	Very low	100 Å²	100	126.4 Å²	126.4	52%	0.524	64%	0.635	S	S	.	*			trans	-69.3	82.2	168.1	-87.3	162	0	0	0	110	S661 W665	S661-L663 PolarHBondContact O-N 2.82Å; L663-W665 PolarHBondContact O-N 3.01Å
664	T	27.8	Very low	27.7	Very low	93 Å²	93	125.2 Å²	125.2	57%	0.571	63%	0.633	S	S	*	*			trans	-83.1	111	-179.8	57.5	0	0	0	0	111.7	V662 K666	V662-T664 VanDerWaalsContact C-N 3.27Å; V662-T664 HydrophobicContact CB-CG2 4.11Å; V662-T664 HydrophobicContact CG1-CG2 3.69Å; V662-T664 PolarHBondContact O-N 3.11Å; T664-K666 PolarHBondContact O-N 3.4Å
665	W	28.7	Very low	27.8	Very low	94 Å²	94	123.9 Å²	123.9	36%	0.356	63%	0.626	S	S	.	*			trans	-69.6	92.5	168.6	-55.2	97.6	0	0	0	110.8	L663 V667 N806 L808	L663-W665 PolarHBondContact O-N 3.01Å; W665-V667 PolarHBondContact O-N 2.82Å; W665-N806 PolarHBondContact NE1-O 3.48Å; W665-N806 VanDerWaalsContact NE1-O 3.09Å; W665-L808 HydrophobicContact CE3-CD1 4.4Å; W665-L808 HydrophobicContact CH2-CB 4.18Å; W665-L808 HydrophobicContact CH2-CD2 4Å; W665-L808 HydrophobicContact CZ2-CB 4.11Å; W665-L808 HydrophobicContact CZ3-CD1 4.47Å; W665-L808 HydrophobicContact CZ3-CD2 3.95Å
666	K	30.2	Very low	28	Very low	155 Å²	155	121 Å²	121	67%	0.674	61%	0.614	S	S	*	*			trans	-83.1	92.4	173.5	-77.6	-172.1	175.9	179.5	0	111.2	T664 Q668	T664-K666 PolarHBondContact O-N 3.4Å; K666-Q668 VanDerWaalsContact C-N 3.31Å; K666-Q668 PolarHBondContact O-N 3.29Å
667	V	30.7	Very low	28.3	Very low	104 Å²	104	120.5 Å²	120.5	63%	0.63	60%	0.604	S	S	*	*			trans	-76.3	83.3	168.3	-176.4	0	0	0	0	109.2	W665 R669	W665-V667 PolarHBondContact O-N 2.82Å; V667-R669 PolarHBondContact O-N 3.01Å
668	Q	32.5	Very low	28.4	Very low	139 Å²	139	116.6 Å²	116.6	65%	0.65	59%	0.588	S	S	*	*			trans	-83.9	88.2	-177.9	-171.5	165.4	-13.3	0	0	110.8	K666 N670	K666-Q668 VanDerWaalsContact C-N 3.31Å; K666-Q668 PolarHBondContact O-N 3.29Å; Q668-N670 PolarHBondContact O-N 3.17Å; Q668-N670 VanDerWaalsContact O-N 3.1Å
669	R	27.4	Very low	28.5	Very low	229 Å²	229	114.6 Å²	114.6	86%	0.864	58%	0.581	S	S	*	*			trans	-66.8	105.1	171.2	-65.1	-173.2	-171.4	-179.1	3.6	109.8	V667	V667-R669 PolarHBondContact O-N 3.01Å
670	N	28.7	Very low	28.7	Very low	96 Å²	96	106.8 Å²	106.8	51%	0.513	56%	0.558	S	S	.	*			trans	-88.5	119.4	169.9	-162.6	8.5	0	0	0	109.4	Q668 Q672	Q668-N670 PolarHBondContact O-N 3.17Å; Q668-N670 VanDerWaalsContact O-N 3.1Å; N670-Q672 PolarHBondContact O-N 3.32Å
671	P	32.1	Very low	28.8	Very low	123 Å²	123	107.3 Å²	107.3	80%	0.799	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-1	-166.1	-24.2	35.8	0	0	0	118
672	Q	34.7	Very low	29	Very low	185 Å²	185	108.4 Å²	108.4	86%	0.864	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	-10.6	-173.4	-69	-165.5	-27.8	0	0	116.5	N670	N670-Q672 PolarHBondContact O-N 3.32Å
673	I	27.3	Very low	29.2	Very low	115 Å²	115	110.3 Å²	110.3	59%	0.59	55%	0.554	S	S	*	*	S	Bend	trans	-140.5	136.1	170.7	-57.1	-179.4	0	0	0	108	S675	I673-S675 PolarHBondContact O-N 3.03Å
674	S	27.2	Very low	29.2	Very low	51 Å²	51	113.7 Å²	113.7	36%	0.357	56%	0.561	S	S	.	*			trans	-77.3	25.6	-166.4	58	0	0	0	0	116.3	L739	S674-L739 WeakPolarHBondContact O-CB 3.37Å; S674-L739 PolarHBondContact OG-O 3.19Å; S674-L739 VanDerWaalsContact OG-O 3.13Å
675	S	26.4	Very low	29.3	Very low	15 Å²	15	115.7 Å²	115.7	11%	0.105	57%	0.568	C	S	.	*			trans	-79.7	125.4	-174.5	60.9	0	0	0	0	113.7	I673 H677 E738	I673-S675 PolarHBondContact O-N 3.03Å; S675-H677 WeakPolarHBondContact CB-NE2 3.33Å; S675-H677 PolarHBondContact O-N 3.17Å; S675-H677 PolarHBondContact OG-CD2 2.83Å; S675-H677 PolarHBondContact OG-NE2 3.35Å; S675-E738 WeakPolarHBondContact CB-OE1 3.27Å
676	L	28.3	Very low	29.4	Very low	65 Å²	65	118.4 Å²	118.4	34%	0.34	59%	0.59	S	S	.	*			trans	-97.5	59.4	-178.4	-167.1	83.2	0	0	0	111.8	L678 F737 L739	L676-L678 PolarHBondContact O-N 2.9Å; L676-F737 VanDerWaalsContact O-O 3.08Å; L676-L739 HydrophobicContact CB-CD1 4.09Å; L676-L739 HydrophobicContact CB-CG 4.31Å; L676-L739 HydrophobicContact CD1-CD1 4.42Å; L676-L739 HydrophobicContact CD2-CD1 4.39Å
677	H	29.4	Very low	29.4	Very low	93 Å²	93	114.6 Å²	114.6	43%	0.431	58%	0.576	S	S	.	*			trans	-59.3	97.9	-170.8	-65.1	-54.9	0	0	0	114.3	S675 N679 E738	S675-H677 WeakPolarHBondContact CB-NE2 3.33Å; S675-H677 PolarHBondContact O-N 3.17Å; S675-H677 PolarHBondContact OG-CD2 2.83Å; S675-H677 PolarHBondContact OG-NE2 3.35Å; H677-N679 VanDerWaalsContact C-N 3.33Å; H677-N679 PolarHBondContact O-N 3.5Å; H677-E738 IonicContact CE1-OE1 3.47Å; H677-E738 PolarHBondContact CE1-OE1 3.44Å
678	L	27.7	Very low	29.4	Very low	53 Å²	53	111.9 Å²	111.9	28%	0.277	56%	0.562	S	S	.	*			trans	-79.7	78.6	178.6	-155.9	147.6	0	0	0	110.7	L676 V680 F737	L676-L678 PolarHBondContact O-N 2.9Å; L678-V680 HydrophobicContact CD2-CG2 4.08Å; L678-V680 PolarHBondContact O-N 3.12Å; L678-V680 VanDerWaalsContact O-N 3.15Å; L678-F737 HydrophobicContact CD1-CD2 4.1Å
679	N	29.5	Very low	29.3	Very low	101 Å²	101	112.2 Å²	112.2	54%	0.54	56%	0.563	S	S	.	*			trans	-89.5	84.9	-163.4	-152.3	-3.8	0	0	0	113.2	H677 Q681 K734	H677-N679 VanDerWaalsContact C-N 3.33Å; H677-N679 PolarHBondContact O-N 3.5Å; N679-Q681 PolarHBondContact O-N 3.36Å; N679-K734 WeakPolarHBondContact OD1-CE 3.27Å; N679-K734 PolarHBondContact OD1-NZ 2.96Å
680	V	28.2	Very low	29.8	Very low	68 Å²	68	104.5 Å²	104.5	41%	0.412	53%	0.534	S	S	.	.			trans	-71.1	106.7	170.2	-172.4	0	0	0	0	109.7	L678 K734	L678-V680 HydrophobicContact CD2-CG2 4.08Å; L678-V680 PolarHBondContact O-N 3.12Å; L678-V680 VanDerWaalsContact O-N 3.15Å; V680-K734 HydrophobicContact CB-CG 4.29Å; V680-K734 VanDerWaalsContact O-CE 3.25Å; V680-K734 WeakPolarHBondContact O-CE 3.42Å; V680-K734 PolarHBondContact O-NZ 3.45Å
681	Q	29.5	Very low	30.2	Very low	153 Å²	153	103 Å²	103	72%	0.715	53%	0.525	S	S	*	.			trans	-98.7	103.7	169.4	-71	-173.2	-79.6	0	0	110.1	N679	N679-Q681 PolarHBondContact O-N 3.36Å
682	Q	30	Very low	30.5	Very low	145 Å²	145	99.2 Å²	99.2	68%	0.678	50%	0.502	S	S	*	.			trans	-85.2	118.4	157.5	-75.8	178.7	-27.6	0	0	108.2	Y684	Q682-Y684 HydrophobicContact CB-CD2 4.38Å; Q682-Y684 HydrophobicContact CB-CE2 4.36Å; Q682-Y684 PolarHBondContact O-N 3.26Å; Q682-Y684 VanDerWaalsContact O-N 3.13Å
683	N	30	Very low	30.8	Very low	139 Å²	139	93 Å²	93	74%	0.743	47%	0.471	S	S	*	.			trans	-72.7	101.8	165.2	-93.2	2.3	0	0	0	108.4	N685	N683-N685 PolarHBondContact O-N 3.47Å
684	Y	27.4	Very low	31.7	Very low	171 Å²	171	90.6 Å²	90.6	67%	0.671	46%	0.457	S	S	*	.			trans	-65.7	101.7	170.4	-87.1	-105.7	0	0	0	109.7	Q682	Q682-Y684 HydrophobicContact CB-CD2 4.38Å; Q682-Y684 HydrophobicContact CB-CE2 4.36Å; Q682-Y684 PolarHBondContact O-N 3.26Å; Q682-Y684 VanDerWaalsContact O-N 3.13Å
685	N	30.1	Very low	32.8	Very low	136 Å²	136	88.8 Å²	88.8	73%	0.727	44%	0.442	S	S	*	.			trans	-116.9	110.7	158.4	-85.7	-27.8	0	0	0	106.8	N683 L687	N683-N685 PolarHBondContact O-N 3.47Å; N685-L687 PolarHBondContact O-N 3.42Å
686	D	29.9	Very low	34.1	Very low	151 Å²	151	89.2 Å²	89.2	81%	0.807	45%	0.445	S	S	*	.			trans	-54.4	124.7	-174	-75.2	-43.4	0	0	0	113
687	L	30	Very low	35.3	Very low	75 Å²	75	86.1 Å²	86.1	39%	0.393	43%	0.428	S	S	.	.	S	Bend	trans	171.9	88.6	158.1	-100.3	157.9	0	0	0	111.8	L377 N380 S381 N685	L377-L687 HydrophobicContact CD2-CD2 4.43Å; N380-L687 WeakPolarHBondContact CB-O 3.43Å; S381-L687 WeakPolarHBondContact CA-O 3.19Å; S381-L687 VanDerWaalsContact CB-O 3.25Å; S381-L687 WeakPolarHBondContact CB-O 3.3Å; S381-L687 PolarHBondContact N-O 2.93Å; S381-L687 WeakPolarHBondContact OG-CB 3.49Å; S381-L687 PolarHBondContact OG-O 2.86Å; N685-L687 PolarHBondContact O-N 3.42Å
688	S	31.6	Very low	36.6	Very low	46 Å²	46	82.2 Å²	82.2	32%	0.322	41%	0.41	S	S	.	.			trans	30.2	94.2	171.4	96.3	0	0	0	0	124.8	N380 S381 S384 R690	N380-S688 CarbonylContact C-O 3.51Å; N380-S688 WeakPolarHBondContact CB-O 3.44Å; S381-S688 WeakPolarHBondContact CA-O 3.33Å; S381-S688 VanDerWaalsContact CA-OG 3.3Å; S381-S688 WeakPolarHBondContact CA-OG 3.42Å; S381-S688 PolarHBondContact N-O 3.45Å; S384-S688 PolarHBondContact OG-OG 3.17Å; S384-S688 VanDerWaalsContact OG-OG 3.09Å; S688-R690 PolarHBondContact O-N 2.86Å
689	E	30.5	Very low	38.3	Very low	146 Å²	146	80.7 Å²	80.7	68%	0.682	40%	0.402	S	S	*	.			trans	49.5	61.3	130.6	-53.6	171.7	124.2	0	0	120	I691	E689-I691 PolarHBondContact O-N 3.16Å; E689-I691 VanDerWaalsContact O-N 3.12Å
690	R	37	Very low	39.9	Very low	67 Å²	67	76.3 Å²	76.3	25%	0.253	38%	0.379	S	S	.	.			trans	-75.3	103.7	160.4	-89.8	176.7	-153.4	-164.5	-0.6	110.3	S379 N380 S382 K383 S688 S692	S379-R690 VanDerWaalsContact O-CD 3.28Å; S379-R690 WeakPolarHBondContact O-CD 3.19Å; N380-R690 VanDerWaalsContact O-CG 3.28Å; N380-R690 WeakPolarHBondContact O-CG 3.18Å; N380-R690 PolarHBondContact O-NE 2.89Å; N380-R690 WeakPolarHBondContact OD1-CB 3.43Å; N380-R690 PolarHBondContact OD1-N 2.87Å; S382-R690 PolarHBondContact OG-NH2 3.34Å; K383-R690 HydrophobicContact CB-CG 4.21Å; K383-R690 HydrophobicContact CD-CG 4.04Å; K383-R690 HydrophobicContact CG-CG 4.17Å; S688-R690 PolarHBondContact O-N 2.86Å; R690-S692 PolarHBondContact O-N 3.4Å; R690-S692 PolarHBondContact O-OG 2.92Å
691	I	36.9	Very low	41.5	Very low	64 Å²	64	73 Å²	73	33%	0.328	36%	0.359	S	S	.	.			trans	-49.4	112.4	161.6	-64.1	173.4	0	0	0	108.1	E689 Y693 P729	E689-I691 PolarHBondContact O-N 3.16Å; E689-I691 VanDerWaalsContact O-N 3.12Å; I691-Y693 HydrophobicContact CG2-CD1 3.95Å; I691-Y693 HydrophobicContact CG2-CD2 4.17Å; I691-Y693 HydrophobicContact CG2-CE1 3.52Å; I691-Y693 HydrophobicContact CG2-CE2 3.75Å; I691-Y693 HydrophobicContact CG2-CG 4.28Å; I691-Y693 VanDerWaalsContact CG2-CZ 3.41Å; I691-P729 HydrophobicContact CG2-CB 4.14Å
692	S	39.6	Very low	43	Very low	45 Å²	45	66.8 Å²	66.8	32%	0.315	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	99.9	178.1	-60.3	0	0	0	0	105.1	R690 F694	R690-S692 PolarHBondContact O-N 3.4Å; R690-S692 PolarHBondContact O-OG 2.92Å; S692-F694 WeakPolarHBondContact O-CD2 3.49Å; S692-F694 WeakPolarHBondContact O-CE2 3.39Å
693	Y	41.1	Very low	44.2	Very low	54 Å²	54	62.6 Å²	62.6	21%	0.212	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	152.6	171	-46.8	-82.8	0	0	0	107.9	I691 L727 F796 L798	I691-Y693 HydrophobicContact CG2-CD1 3.95Å; I691-Y693 HydrophobicContact CG2-CD2 4.17Å; I691-Y693 HydrophobicContact CG2-CE1 3.52Å; I691-Y693 HydrophobicContact CG2-CE2 3.75Å; I691-Y693 HydrophobicContact CG2-CG 4.28Å; I691-Y693 VanDerWaalsContact CG2-CZ 3.41Å; Y693-L727 WeakPolarHBondContact CD1-O 3.44Å; Y693-L727 WeakPolarHBondContact CE1-O 3.38Å; Y693-F796 PolarHBondContact N-O 3.5Å; Y693-F796 VanDerWaalsContact N-O 3.07Å; Y693-F796 PolarHBondContact O-N 3Å; Y693-L798 HydrophobicContact CE2-CD2 4.28Å
694	F	45.9	Very low	45.1	Very low	65 Å²	65	59.6 Å²	59.6	29%	0.285	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.2	-178.1	-66.5	-83.9	0	0	0	110.5	S692 V793 K794	S692-F694 WeakPolarHBondContact O-CD2 3.49Å; S692-F694 WeakPolarHBondContact O-CE2 3.39Å; F694-V793 HydrophobicContact CB-CG1 4.43Å; F694-V793 HydrophobicContact CD1-CG1 3.73Å; F694-K794 WeakPolarHBondContact CA-O 3.44Å
695	Q	50.5	Low	45.6	Very low	12 Å²	12	58.5 Å²	58.5	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.3	163.4	-143.8	174.4	-108.7	0	0	108.4	E697 W724 K725 V793 K794 F796	Q695-E697 HydrophobicContact CG-CG 4.38Å; Q695-E697 VanDerWaalsContact NE2-CG 3.34Å; Q695-E697 PolarHBondContact NE2-OE1 2.83Å; Q695-W724 WeakPolarHBondContact CG-O 3.16Å; Q695-K725 HydrophobicContact CG-CG 3.94Å; Q695-V793 CarbonylContact O-C 3.49Å; Q695-V793 WeakPolarHBondContact O-CA 3.4Å; Q695-K794 HydrophobicContact CB-CB 4.24Å; Q695-K794 PolarHBondContact N-O 3.35Å; Q695-K794 PolarHBondContact O-N 3.28Å; Q695-F796 HydrophobicContact CB-CD2 4.19Å; Q695-F796 HydrophobicContact CB-CE2 3.56Å; Q695-F796 HydrophobicContact CB-CZ 4.19Å; Q695-F796 HydrophobicContact CG-CE2 3.95Å; Q695-F796 HydrophobicContact CG-CZ 4.46Å
696	V	52.8	Low	45.6	Very low	25 Å²	25	57.8 Å²	57.8	15%	0.152	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.1	164.1	-169.1	0	0	0	0	106.2	F698 W724 F791	V696-F698 HydrophobicContact CB-CD2 4.43Å; V696-F698 HydrophobicContact CB-CE2 3.88Å; V696-F698 HydrophobicContact CB-CZ 4.44Å; V696-F698 HydrophobicContact CG1-CD2 4.14Å; V696-F698 HydrophobicContact CG1-CE2 3.73Å; V696-F698 HydrophobicContact CG1-CZ 3.98Å; V696-F698 WeakPolarHBondContact O-CD2 3.31Å; V696-W724 HydrophobicContact CB-CE3 4.03Å; V696-W724 HydrophobicContact CG2-CE3 3.96Å; V696-W724 HydrophobicContact CG2-CZ3 4.06Å; V696-W724 PolarHBondContact N-O 2.89Å; V696-W724 PolarHBondContact O-N 3.16Å; V696-W724 VanDerWaalsContact O-O 3.08Å; V696-F791 HydrophobicContact CG1-CD1 4.25Å
697	E	53.3	Low	45.4	Very low	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.8	170.9	-62.5	-175	-131.2	0	0	108.6	Q695 R723 R792 K794	Q695-E697 HydrophobicContact CG-CG 4.38Å; Q695-E697 VanDerWaalsContact NE2-CG 3.34Å; Q695-E697 PolarHBondContact NE2-OE1 2.83Å; E697-R723 HydrophobicContact CG-CB 4.49Å; E697-R723 HydrophobicContact CG-CG 3.96Å; E697-R723 IonicContact OE2-NE 2.75Å; E697-R723 PolarHBondContact OE2-NE 3.32Å; E697-R723 VanDerWaalsContact OE2-NE 3.1Å; E697-R792 HydrophobicContact CB-CG 3.8Å; E697-R792 PolarHBondContact N-O 2.88Å; E697-R792 PolarHBondContact O-N 2.78Å; E697-R792 IonicContact OE1-NE 3.19Å; E697-R792 IonicContact OE1-NH2 2.82Å; E697-R792 IonicContact OE2-CZ 3.72Å; E697-R792 IonicContact OE2-NE 3.85Å; E697-R792 PolarHBondContact OE2-NE 3.3Å; E697-R792 IonicContact OE2-NH2 2.9Å; E697-R792 PolarHBondContact OE2-NH2 2.93Å; E697-K794 WeakPolarHBondContact OE1-CD 3.12Å; E697-K794 VanDerWaalsContact OE1-CE 3.28Å; E697-K794 WeakPolarHBondContact OE1-CE 3.48Å; E697-K794 IonicContact OE1-NZ 2.92Å; E697-K794 PolarHBondContact OE1-NZ 3.15Å
698	F	57.7	Low	45.3	Very low	10 Å²	10	63.3 Å²	63.3	4%	0.044	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.1	175.8	-63.1	-104.4	0	0	0	108.8	V696 Y722 W724 L773 F776 L789 R790 F791	V696-F698 HydrophobicContact CB-CD2 4.43Å; V696-F698 HydrophobicContact CB-CE2 3.88Å; V696-F698 HydrophobicContact CB-CZ 4.44Å; V696-F698 HydrophobicContact CG1-CD2 4.14Å; V696-F698 HydrophobicContact CG1-CE2 3.73Å; V696-F698 HydrophobicContact CG1-CZ 3.98Å; V696-F698 WeakPolarHBondContact O-CD2 3.31Å; F698-Y722 PolarHBondContact N-O 3.01Å; F698-Y722 PolarHBondContact O-N 3.33Å; F698-W724 HydrophobicContact CD2-CB 4.04Å; F698-W724 HydrophobicContact CE2-CB 3.71Å; F698-W724 HydrophobicContact CE2-CE3 4.38Å; F698-W724 HydrophobicContact CE2-CG 4.41Å; F698-L773 HydrophobicContact CE2-CD1 4.29Å; F698-L773 HydrophobicContact CZ-CD1 3.96Å; F698-F776 HydrophobicContact CB-CE1 3.9Å; F698-F776 HydrophobicContact CB-CZ 3.71Å; F698-F776 AromaticContact CD1-CE1 3.56Å; F698-F776 HydrophobicContact CD1-CE1 3.56Å; F698-F776 HydrophobicContact CD1-CZ 4.16Å; F698-F776 HydrophobicContact CD2-CE1 4.02Å; F698-F776 AromaticContact CE1-CE1 3.92Å; F698-F776 HydrophobicContact CE1-CE1 3.92Å; F698-F776 HydrophobicContact CE2-CE1 4.39Å; F698-F776 AromaticContact CG-CE1 3.58Å; F698-F776 HydrophobicContact CG-CE1 3.58Å; F698-F776 AromaticContact CG-CZ 3.95Å; F698-F776 HydrophobicContact CG-CZ 3.95Å; F698-F776 HydrophobicContact CZ-CE1 4.34Å; F698-L789 HydrophobicContact CD1-CD1 4.49Å; F698-R790 WeakPolarHBondContact CA-O 3.42Å; F698-F791 AromaticContact CD1-CD1 3.8Å; F698-F791 HydrophobicContact CD1-CD1 3.8Å; F698-F791 AromaticContact CD1-CE1 3.72Å; F698-F791 HydrophobicContact CD1-CE1 3.72Å; F698-F791 HydrophobicContact CD1-CZ 4.37Å; F698-F791 AromaticContact CE1-CD1 3.62Å; F698-F791 HydrophobicContact CE1-CD1 3.62Å; F698-F791 AromaticContact CE1-CE1 3.34Å; F698-F791 HydrophobicContact CE1-CE1 3.34Å; F698-F791 HydrophobicContact CE1-CZ 4.25Å; F698-F791 HydrophobicContact CZ-CD1 4.37Å; F698-F791 HydrophobicContact CZ-CE1 4.31Å
699	I	62	Low	44.9	Very low	21 Å²	21	71.8 Å²	71.8	11%	0.108	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.5	173.5	-51.8	173.9	0	0	0	106.7	R790 E807	I699-R790 HydrophobicContact CB-CB 4.03Å; I699-R790 HydrophobicContact CB-CG 4.28Å; I699-R790 HydrophobicContact CD1-CB 4.45Å; I699-R790 PolarHBondContact N-O 3.02Å; I699-R790 PolarHBondContact O-N 3.19Å; I699-E807 WeakPolarHBondContact CD1-OE1 3.39Å
700	V	63.5	Low	44.7	Very low	9 Å²	9	67.5 Å²	67.5	6%	0.055	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.2	-176.8	-167.9	0	0	0	0	108.9	T702 Y720 F776 L780 V786 L789	V700-T702 HydrophobicContact CG1-CG2 4Å; V700-Y720 PolarHBondContact N-O 2.88Å; V700-F776 HydrophobicContact CG2-CE2 4.07Å; V700-F776 HydrophobicContact CG2-CZ 3.87Å; V700-L780 HydrophobicContact CB-CD2 4.45Å; V700-L780 HydrophobicContact CG1-CD2 3.57Å; V700-L780 HydrophobicContact CG2-CD2 3.96Å; V700-V786 HydrophobicContact CG1-CB 4.49Å; V700-V786 HydrophobicContact CG1-CG1 3.81Å; V700-V786 HydrophobicContact CG1-CG2 3.86Å; V700-L789 HydrophobicContact CB-CD1 4.43Å; V700-L789 HydrophobicContact CG2-CD1 3.85Å
701	C	63.1	Low	44.2	Very low	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.7	170.8	-44.5	0	0	0	0	109.4	C714 Y787 E788	C701-C714 HydrophobicContact CB-CB 4.29Å; C701-C714 WeakPolarHBondContact CB-SG 3.22Å; C701-C714 WeakPolarHBondContact SG-CB 3.24Å; C701-C714 CovalentContact SG-SG 2.05Å; C701-C714 PolarHBondContact SG-SG 2.85Å; C701-Y787 HydrophobicContact CB-CD1 4.46Å; C701-Y787 HydrophobicContact CB-CE1 3.81Å; C701-Y787 HydrophobicContact CB-CE2 4Å; C701-Y787 WeakPolarHBondContact O-CD1 3.47Å; C701-Y787 PolarHBondContact O-N 2.91Å; C701-E788 HydrophobicContact CB-CB 4.01Å; C701-E788 PolarHBondContact N-O 3.41Å
702	T	60	Low	44.1	Very low	22 Å²	22	73.1 Å²	73.1	14%	0.135	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.3	178.4	57.4	0	0	0	0	111.5	V700 S704 L785 V786	V700-T702 HydrophobicContact CG1-CG2 4Å; T702-S704 PolarHBondContact O-N 3.48Å; T702-S704 PolarHBondContact O-OG 3.01Å; T702-L785 CarbonylContact C-O 3.49Å; T702-L785 VanDerWaalsContact CA-O 3.25Å; T702-L785 WeakPolarHBondContact CA-O 3.23Å; T702-V786 HydrophobicContact CG2-CG2 4.11Å
703	S	55.9	Low	44.2	Very low	56 Å²	56	76 Å²	76	39%	0.392	42%	0.416	S	S	.	.			trans	-74	60.4	179.7	49.1	0	0	0	0	112.4	N705 L785	S703-N705 PolarHBondContact O-N 2.8Å; S703-L785 PolarHBondContact N-O 3.18Å; S703-L785 WeakPolarHBondContact OG-CA 3.31Å; S703-L785 PolarHBondContact OG-O 3.05Å; S703-L785 VanDerWaalsContact OG-O 3.1Å
704	S	47.9	Very low	44.7	Very low	76 Å²	76	74.3 Å²	74.3	53%	0.531	41%	0.413	S	S	.	.			trans	-82.7	42.5	-175.3	53.6	0	0	0	0	114.3	T702	T702-S704 PolarHBondContact O-N 3.48Å; T702-S704 PolarHBondContact O-OG 3.01Å
705	N	38.3	Very low	45	Very low	149 Å²	149	76.5 Å²	76.5	80%	0.797	43%	0.431	S	S	*	.	S	Bend	trans	-166.4	143.1	149.4	-102.6	-11.9	0	0	0	110.7	S703	S703-N705 PolarHBondContact O-N 2.8Å
706	T	29.9	Very low	44.8	Very low	121 Å²	121	81.2 Å²	81.2	74%	0.742	46%	0.457	S	S	*	.			trans	-80.3	154.6	172.8	48	0	0	0	0	111.2
707	H	26.4	Very low	44.2	Very low	174 Å²	174	86.2 Å²	86.2	81%	0.806	49%	0.493	S	S	*	.	S	Bend	trans	57.4	81.5	173.5	-56.5	-81.9	0	0	0	117.3
708	L	26.8	Very low	43.9	Very low	167 Å²	167	93.9 Å²	93.9	87%	0.874	53%	0.526	S	S	*	.				-169.1	157.9	103.6	-123	68.7	0	0	0	111.6	G710	L708-G710 PolarHBondContact O-N 2.71Å; L708-G710 VanDerWaalsContact O-N 3.12Å
709	F	24.3	Very low	43.3	Very low	224 Å²	224	95.6 Å²	95.6	98%	0.982	54%	0.536	S	S	*	.			trans	-74.3	97.5	167.7	-82.5	-98.7	0	0	0	109.4
710	G	25.5	Very low	42.6	Very low	57 Å²	57	102.3 Å²	102.3	59%	0.588	56%	0.561	S	S	*	*			trans	-154.7	143.3	176.3	0	0	0	0	0	110.8	L708 S712	L708-G710 PolarHBondContact O-N 2.71Å; L708-G710 VanDerWaalsContact O-N 3.12Å; G710-S712 VanDerWaalsContact C-N 3.34Å; G710-S712 PolarHBondContact O-N 2.84Å
711	I	26.9	Very low	41.8	Very low	166 Å²	166	106.4 Å²	106.4	85%	0.851	58%	0.582	S	S	*	*			trans	-77.7	85.2	-176.3	-56.1	172.5	0	0	0	108.9	N713	I711-N713 PolarHBondContact O-N 2.92Å
712	S	33.7	Very low	40.9	Very low	82 Å²	82	112.4 Å²	112.4	57%	0.573	61%	0.605	S	S	*	*			trans	-73.5	102.6	169	41.6	0	0	0	0	109.5	G710	G710-S712 VanDerWaalsContact C-N 3.34Å; G710-S712 PolarHBondContact O-N 2.84Å
713	N	43	Very low	40	Very low	105 Å²	105	118.9 Å²	118.9	56%	0.561	63%	0.627	S	S	*	*			trans	-59.7	142.9	169.7	-72.5	-37.5	0	0	0	109.7	I711 T715	I711-N713 PolarHBondContact O-N 2.92Å; N713-T715 HydrophobicContact CB-CG2 4.02Å; N713-T715 WeakPolarHBondContact CB-OG1 3.4Å; N713-T715 PolarHBondContact O-N 3.06Å
714	C	51.9	Low	39.3	Very low	20 Å²	20	118.3 Å²	118.3	14%	0.135	62%	0.617	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	38.6	169.6	-49.6	0	0	0	0	112.6	C701 N719 E788	C701-C714 HydrophobicContact CB-CB 4.29Å; C701-C714 WeakPolarHBondContact CB-SG 3.22Å; C701-C714 WeakPolarHBondContact SG-CB 3.24Å; C701-C714 CovalentContact SG-SG 2.05Å; C701-C714 PolarHBondContact SG-SG 2.85Å; C714-N719 VanDerWaalsContact C-ND2 3.35Å; C714-N719 PolarHBondContact O-ND2 3.45Å; C714-E788 PolarHBondContact SG-OE1 3.29Å
715	T	51.7	Low	39	Very low	110 Å²	110	120.4 Å²	120.4	68%	0.675	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-20.5	175.5	44.5	0	0	0	0	112.8	N713	N713-T715 HydrophobicContact CB-CG2 4.02Å; N713-T715 WeakPolarHBondContact CB-OG1 3.4Å; N713-T715 PolarHBondContact O-N 3.06Å
716	D	45.6	Very low	39.1	Very low	112 Å²	112	113.6 Å²	113.6	60%	0.599	58%	0.58	S	S	*	*	S	Bend	trans	-78.1	148.9	-170.8	-68.5	4.4	0	0	0	112.6	K718 N719	D716-K718 PolarHBondContact O-N 2.79Å; D716-N719 PolarHBondContact O-ND2 2.97Å
717	S	41.3	Very low	39.4	Very low	129 Å²	129	111.3 Å²	111.3	90%	0.902	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	20.9	-164.2	54.4	0	0	0	0	116.4
718	K	45.7	Very low	39.9	Very low	161 Å²	161	103.3 Å²	103.3	70%	0.7	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	4.4	-178.2	-66.3	-175.7	178.3	178.3	0	114.6	D716	D716-K718 PolarHBondContact O-N 2.79Å
719	N	46.7	Very low	40.2	Very low	47 Å²	47	97 Å²	97	25%	0.251	50%	0.496	S	S	.	.			trans	-74	131.9	-177.6	-65.5	-37.5	0	0	0	112.7	C714 D716 I721	C714-N719 VanDerWaalsContact C-ND2 3.35Å; C714-N719 PolarHBondContact O-ND2 3.45Å; D716-N719 PolarHBondContact O-ND2 2.97Å; N719-I721 PolarHBondContact O-N 2.81Å
720	Y	47.4	Very low	40.6	Very low	161 Å²	161	90.1 Å²	90.1	63%	0.631	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	100.5	175.2	-69.6	-88.7	0	0	0	110.2	V700 Y722	V700-Y720 PolarHBondContact N-O 2.88Å; Y720-Y722 PolarHBondContact O-N 2.86Å
721	I	45.6	Very low	41.1	Very low	96 Å²	96	94.5 Å²	94.5	49%	0.492	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	99.1	175.4	-55.7	175.9	0	0	0	109	N719 R723	N719-I721 PolarHBondContact O-N 2.81Å; I721-R723 HydrophobicContact CG2-CG 4.12Å; I721-R723 PolarHBondContact O-N 2.85Å
722	Y	43.9	Very low	41.3	Very low	126 Å²	126	92.6 Å²	92.6	49%	0.494	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105.2	174.5	-117.1	-91.7	0	0	0	109.9	F698 Y720 W724 F776	F698-Y722 PolarHBondContact N-O 3.01Å; F698-Y722 PolarHBondContact O-N 3.33Å; Y720-Y722 PolarHBondContact O-N 2.86Å; Y722-W724 PolarHBondContact O-N 3.46Å; Y722-F776 VanDerWaalsContact CB-CE2 3.44Å; Y722-F776 AromaticContact CD1-CD2 3.45Å; Y722-F776 HydrophobicContact CD1-CD2 3.45Å; Y722-F776 VanDerWaalsContact CD1-CD2 3.45Å; Y722-F776 AromaticContact CD1-CE2 3.7Å; Y722-F776 HydrophobicContact CD1-CE2 3.7Å; Y722-F776 HydrophobicContact CD1-CG 4.05Å; Y722-F776 HydrophobicContact CD1-CZ 4.46Å; Y722-F776 AromaticContact CD2-CD2 3.87Å; Y722-F776 HydrophobicContact CD2-CD2 3.87Å; Y722-F776 AromaticContact CD2-CE2 3.59Å; Y722-F776 HydrophobicContact CD2-CE2 3.59Å; Y722-F776 HydrophobicContact CE1-CB 4.45Å; Y722-F776 AromaticContact CE1-CD2 3.71Å; Y722-F776 HydrophobicContact CE1-CD2 3.71Å; Y722-F776 HydrophobicContact CE1-CE2 4.34Å; Y722-F776 HydrophobicContact CE1-CG 4.31Å; Y722-F776 HydrophobicContact CE2-CD2 4.1Å; Y722-F776 HydrophobicContact CE2-CE2 4.23Å; Y722-F776 AromaticContact CG-CD2 3.53Å; Y722-F776 HydrophobicContact CG-CD2 3.53Å; Y722-F776 AromaticContact CG-CE2 3.28Å; Y722-F776 HydrophobicContact CG-CE2 3.28Å; Y722-F776 HydrophobicContact CG-CG 4.47Å; Y722-F776 HydrophobicContact CG-CZ 4.04Å
723	R	40.8	Very low	41.5	Very low	157 Å²	157	92.2 Å²	92.2	59%	0.592	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	96.6	175.3	-65	-163.4	176	137.8	6	110.5	E697 I721 K725	E697-R723 HydrophobicContact CG-CB 4.49Å; E697-R723 HydrophobicContact CG-CG 3.96Å; E697-R723 IonicContact OE2-NE 2.75Å; E697-R723 PolarHBondContact OE2-NE 3.32Å; E697-R723 VanDerWaalsContact OE2-NE 3.1Å; I721-R723 HydrophobicContact CG2-CG 4.12Å; I721-R723 PolarHBondContact O-N 2.85Å; R723-K725 PolarHBondContact O-N 2.85Å
724	W	41.5	Very low	41	Very low	45 Å²	45	91.2 Å²	91.2	17%	0.17	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.7	167.2	-173.8	63.4	0	0	0	109.5	Q695 V696 F698 Y722 E769 L773	Q695-W724 WeakPolarHBondContact CG-O 3.16Å; V696-W724 HydrophobicContact CB-CE3 4.03Å; V696-W724 HydrophobicContact CG2-CE3 3.96Å; V696-W724 HydrophobicContact CG2-CZ3 4.06Å; V696-W724 PolarHBondContact N-O 2.89Å; V696-W724 PolarHBondContact O-N 3.16Å; V696-W724 VanDerWaalsContact O-O 3.08Å; F698-W724 HydrophobicContact CD2-CB 4.04Å; F698-W724 HydrophobicContact CE2-CB 3.71Å; F698-W724 HydrophobicContact CE2-CE3 4.38Å; F698-W724 HydrophobicContact CE2-CG 4.41Å; Y722-W724 PolarHBondContact O-N 3.46Å; W724-E769 PolarHBondContact NE1-O 2.87Å; W724-L773 HydrophobicContact CD2-CD1 4.29Å; W724-L773 HydrophobicContact CD2-CD2 4.22Å; W724-L773 HydrophobicContact CE3-CD2 4.4Å; W724-L773 HydrophobicContact CG-CD1 4.4Å; W724-L773 HydrophobicContact CH2-CD2 3.66Å; W724-L773 HydrophobicContact CZ2-CB 4.23Å; W724-L773 HydrophobicContact CZ2-CD2 3.47Å; W724-L773 VanDerWaalsContact CZ2-CD2 3.47Å; W724-L773 HydrophobicContact CZ2-CG 4.38Å; W724-L773 HydrophobicContact CZ3-CD2 4.14Å
725	K	41.2	Very low	40.1	Very low	119 Å²	119	93 Å²	93	52%	0.517	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.4	166.3	-75.1	178.2	176.3	-178.3	0	107.2	Q695 R723 L727	Q695-K725 HydrophobicContact CG-CG 3.94Å; R723-K725 PolarHBondContact O-N 2.85Å; K725-L727 HydrophobicContact CB-CG 4.48Å
726	S	42	Very low	39.5	Very low	6 Å²	6	88.9 Å²	88.9	4%	0.042	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.3	151.9	-167.9	0	0	0	0	108.6	A728 E769	S726-A728 VanDerWaalsContact C-N 3.28Å; S726-A728 WeakPolarHBondContact OG-CB 3.25Å; S726-A728 PolarHBondContact OG-N 2.93Å; S726-E769 WeakPolarHBondContact CA-OE2 3.46Å; S726-E769 WeakPolarHBondContact CB-OE2 3.35Å; S726-E769 PolarHBondContact OG-OE2 2.82Å
727	L	36.3	Very low	39.1	Very low	73 Å²	73	84.8 Å²	84.8	38%	0.382	40%	0.4	S	S	.	.			trans	-96.3	12.6	169	-70	167.8	0	0	0	110.5	Y693 K725 R765 E769	Y693-L727 WeakPolarHBondContact CD1-O 3.44Å; Y693-L727 WeakPolarHBondContact CE1-O 3.38Å; K725-L727 HydrophobicContact CB-CG 4.48Å; L727-R765 PolarHBondContact O-NH2 2.82Å; L727-E769 WeakPolarHBondContact CA-OE1 3.48Å; L727-E769 WeakPolarHBondContact CB-OE1 3.19Å; L727-E769 PolarHBondContact N-OE1 3.31Å; L727-E769 PolarHBondContact N-OE2 3.3Å
728	A	36.2	Very low	39	Very low	7 Å²	7	80.6 Å²	80.6	6%	0.058	37%	0.366	C	S	.	.	S	Bend	trans	-80.4	144.7	168.4	0	0	0	0	0	111.7	S726 V730 T766	S726-A728 VanDerWaalsContact C-N 3.28Å; S726-A728 WeakPolarHBondContact OG-CB 3.25Å; S726-A728 PolarHBondContact OG-N 2.93Å; A728-V730 PolarHBondContact O-N 3.34Å; A728-T766 HydrophobicContact CB-CG2 3.31Å
729	P	32.6	Very low	38.6	Very low	35 Å²	35	74.4 Å²	74.4	23%	0.227	34%	0.34	C	S	.	.			trans	-69.3	107	159.9	29.3	-31.7	0	0	0	108.5	I691 R731 D762	I691-P729 HydrophobicContact CG2-CB 4.14Å; P729-R731 HydrophobicContact CB-CG 4.38Å; P729-R731 PolarHBondContact O-N 3.21Å; P729-D762 WeakPolarHBondContact CD-OD2 3.3Å
730	V	33.7	Very low	38.3	Very low	78 Å²	78	74.2 Å²	74.2	47%	0.473	34%	0.339	S	S	.	.			trans	-70.7	79.3	173.8	-174.7	0	0	0	0	109.3	A728 Y732	A728-V730 PolarHBondContact O-N 3.34Å; V730-Y732 PolarHBondContact O-N 2.97Å
731	R	35.8	Very low	37.9	Very low	149 Å²	149	74.4 Å²	74.4	56%	0.562	35%	0.346	S	S	*	.			trans	-79.2	101.6	170.6	-64.7	-173.4	-177.7	-163.6	-1	107.8	P729	P729-R731 HydrophobicContact CB-CG 4.38Å; P729-R731 PolarHBondContact O-N 3.21Å
732	Y	31.6	Very low	37.8	Very low	127 Å²	127	75.1 Å²	75.1	50%	0.498	35%	0.351	S	S	.	.			trans	73	159.2	-179.3	-51.2	-64.1	0	0	0	115.7	V730 E755	V730-Y732 PolarHBondContact O-N 2.97Å; Y732-E755 VanDerWaalsContact CE2-OE2 3.31Å; Y732-E755 WeakPolarHBondContact CE2-OE2 3.49Å; Y732-E755 VanDerWaalsContact CZ-OE2 3.28Å; Y732-E755 VanDerWaalsContact OH-CD 3.25Å; Y732-E755 PolarHBondContact OH-OE1 3.18Å; Y732-E755 PolarHBondContact OH-OE2 3.21Å
733	P	36.4	Very low	37.5	Very low	73 Å²	73	74 Å²	74	47%	0.474	35%	0.353	S	S	.	.			cis	-116.5	179.9	-6.7	40.2	-28.5	0	0	0	113.9	L735	P733-L735 VanDerWaalsContact C-N 3.34Å; P733-L735 HydrophobicContact CG-CD2 4.31Å; P733-L735 PolarHBondContact O-N 3.44Å
734	K	32.4	Very low	37.2	Very low	85 Å²	85	71.3 Å²	71.3	37%	0.37	35%	0.347	S	S	.	.			trans	-71.5	81.9	170.9	-175.1	177.8	-179.9	177.2	0	110.7	N679 V680 T736	N679-K734 WeakPolarHBondContact OD1-CE 3.27Å; N679-K734 PolarHBondContact OD1-NZ 2.96Å; V680-K734 HydrophobicContact CB-CG 4.29Å; V680-K734 VanDerWaalsContact O-CE 3.25Å; V680-K734 WeakPolarHBondContact O-CE 3.42Å; V680-K734 PolarHBondContact O-NZ 3.45Å; K734-T736 PolarHBondContact O-N 2.9Å; K734-T736 PolarHBondContact O-OG1 2.89Å
735	L	34.1	Very low	36.9	Very low	56 Å²	56	70.6 Å²	70.6	29%	0.293	35%	0.346	S	S	.	.			trans	-57.9	100.5	178.2	-70.4	176.7	0	0	0	111.2	P733 F737 L747 T825	P733-L735 VanDerWaalsContact C-N 3.34Å; P733-L735 HydrophobicContact CG-CD2 4.31Å; P733-L735 PolarHBondContact O-N 3.44Å; L735-F737 HydrophobicContact CB-CE2 4.06Å; L735-F737 HydrophobicContact CB-CZ 4.37Å; L735-F737 HydrophobicContact CD1-CZ 4.49Å; L735-L747 HydrophobicContact CD2-CD1 3.92Å; L735-T825 HydrophobicContact CD1-CG2 4.41Å; L735-T825 HydrophobicContact CD2-CG2 3.7Å
736	T	38.4	Very low	36.8	Very low	25 Å²	25	68.8 Å²	68.8	15%	0.153	34%	0.339	C	S	.	.			trans	-109.4	103.3	178.9	-45.6	0	0	0	0	107.8	K734 L748	K734-T736 PolarHBondContact O-N 2.9Å; K734-T736 PolarHBondContact O-OG1 2.89Å; T736-L748 HydrophobicContact CG2-CD1 3.78Å; T736-L748 PolarHBondContact O-N 2.82Å; T736-L748 VanDerWaalsContact O-N 3.1Å
737	F	36.6	Very low	36.5	Very low	26 Å²	26	71.5 Å²	71.5	11%	0.114	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143	172.1	-56	-84	0	0	0	109.3	L676 L678 L735 M745 L747 A821	L676-F737 VanDerWaalsContact O-O 3.08Å; L678-F737 HydrophobicContact CD1-CD2 4.1Å; L735-F737 HydrophobicContact CB-CE2 4.06Å; L735-F737 HydrophobicContact CB-CZ 4.37Å; L735-F737 HydrophobicContact CD1-CZ 4.49Å; F737-M745 HydrophobicContact CB-CE 4.31Å; F737-M745 HydrophobicContact CB-SD 3.92Å; F737-M745 HydrophobicContact CD1-CE 3.61Å; F737-M745 HydrophobicContact CD1-SD 4.36Å; F737-M745 HydrophobicContact CE1-CE 4.12Å; F737-M745 HydrophobicContact CG-CE 4Å; F737-M745 HydrophobicContact CG-SD 4.23Å; F737-L747 HydrophobicContact CE1-CD1 4.45Å; F737-A821 HydrophobicContact CD1-CB 4.39Å; F737-A821 HydrophobicContact CE1-CB 4.18Å
738	E	40.1	Very low	36.8	Very low	40 Å²	40	71.3 Å²	71.3	19%	0.187	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.1	172.3	-170.9	158.6	-128.1	0	0	109.5	S675 H677 M745 F746 L748	S675-E738 WeakPolarHBondContact CB-OE1 3.27Å; H677-E738 IonicContact CE1-OE1 3.47Å; H677-E738 PolarHBondContact CE1-OE1 3.44Å; E738-M745 CarbonylContact O-C 3.55Å; E738-M745 VanDerWaalsContact O-CA 3.3Å; E738-M745 WeakPolarHBondContact O-CA 3.43Å; E738-F746 HydrophobicContact CB-CD1 4.44Å; E738-F746 HydrophobicContact CB-CD2 4.32Å; E738-F746 HydrophobicContact CB-CE1 3.91Å; E738-F746 HydrophobicContact CB-CE2 3.78Å; E738-F746 HydrophobicContact CB-CZ 3.57Å; E738-F746 HydrophobicContact CG-CE1 3.92Å; E738-F746 HydrophobicContact CG-CE2 4.13Å; E738-F746 HydrophobicContact CG-CZ 3.49Å; E738-F746 VanDerWaalsContact CG-CZ 3.49Å; E738-F746 PolarHBondContact N-O 3.47Å; E738-F746 WeakPolarHBondContact O-CD1 3.48Å; E738-F746 WeakPolarHBondContact O-CE1 3.36Å; E738-F746 PolarHBondContact O-N 2.97Å; E738-F746 WeakPolarHBondContact OE2-CE2 3.35Å; E738-F746 VanDerWaalsContact OE2-CZ 3.31Å; E738-F746 WeakPolarHBondContact OE2-CZ 3.05Å; E738-L748 HydrophobicContact CB-CD1 4.11Å; E738-L748 HydrophobicContact CB-CG 4.42Å
739	L	37.1	Very low	37	Very low	32 Å²	32	78.1 Å²	78.1	17%	0.168	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.5	179	-79.6	166.8	0	0	0	108.8	S674 L676 M745	S674-L739 WeakPolarHBondContact O-CB 3.37Å; S674-L739 PolarHBondContact OG-O 3.19Å; S674-L739 VanDerWaalsContact OG-O 3.13Å; L676-L739 HydrophobicContact CB-CD1 4.09Å; L676-L739 HydrophobicContact CB-CG 4.31Å; L676-L739 HydrophobicContact CD1-CD1 4.42Å; L676-L739 HydrophobicContact CD2-CD1 4.39Å; L739-M745 HydrophobicContact CD2-CG 3.46Å; L739-M745 VanDerWaalsContact CD2-CG 3.46Å; L739-M745 HydrophobicContact CG-CG 4.08Å
740	N	41.4	Very low	37.2	Very low	42 Å²	42	81 Å²	81	23%	0.225	40%	0.395	C	S	.	.			trans	-72.4	175.4	171.7	79.6	0.2	0	0	0	110.9	N742 N743 E744 F746	N740-N742 PolarHBondContact O-N 3.04Å; N740-N742 WeakPolarHBondContact OD1-CA 3.04Å; N740-N742 VanDerWaalsContact OD1-CB 3.3Å; N740-N742 WeakPolarHBondContact OD1-CB 3.44Å; N740-N742 PolarHBondContact OD1-N 3.42Å; N740-N743 PolarHBondContact O-N 3.22Å; N740-N743 PolarHBondContact OD1-N 2.65Å; N740-E744 PolarHBondContact N-O 3.38Å; N740-E744 PolarHBondContact ND2-OE2 2.82Å; N740-E744 WeakPolarHBondContact OD1-CB 3.49Å; N740-E744 PolarHBondContact OD1-N 2.83Å; N740-E744 PolarHBondContact OD1-O 3.43Å; N740-F746 HydrophobicContact CB-CD1 3.99Å; N740-F746 HydrophobicContact CB-CE1 3.76Å
741	H	39.1	Very low	37.1	Very low	165 Å²	165	83.6 Å²	83.6	76%	0.764	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.8	-179.3	-52.1	-42.4	0	0	0	114.4
742	N	41.4	Very low	37	Very low	112 Å²	112	82.6 Å²	82.6	60%	0.599	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	0.2	177.6	-52.1	-23	0	0	0	112.9	N740 E744	N740-N742 PolarHBondContact O-N 3.04Å; N740-N742 WeakPolarHBondContact OD1-CA 3.04Å; N740-N742 VanDerWaalsContact OD1-CB 3.3Å; N740-N742 WeakPolarHBondContact OD1-CB 3.44Å; N740-N742 PolarHBondContact OD1-N 3.42Å; N742-E744 VanDerWaalsContact C-N 3.27Å; N742-E744 HydrophobicContact CB-CG 3.94Å; N742-E744 WeakPolarHBondContact CB-OE2 3.33Å; N742-E744 PolarHBondContact ND2-OE2 3.13Å
743	N	37.8	Very low	36.9	Very low	102 Å²	102	86 Å²	86	55%	0.545	42%	0.424	S	S	.	.	S	Bend	trans	65.6	20.8	-166	-51.1	-79.7	0	0	0	114.9	N740	N740-N743 PolarHBondContact O-N 3.22Å; N740-N743 PolarHBondContact OD1-N 2.65Å
744	E	34.4	Very low	36.5	Very low	100 Å²	100	90.1 Å²	90.1	47%	0.467	44%	0.442	S	S	.	.			trans	-84.4	127.6	169.8	-54.3	165.3	117.8	0	0	108.2	N740 N742	N740-E744 PolarHBondContact N-O 3.38Å; N740-E744 PolarHBondContact ND2-OE2 2.82Å; N740-E744 WeakPolarHBondContact OD1-CB 3.49Å; N740-E744 PolarHBondContact OD1-N 2.83Å; N740-E744 PolarHBondContact OD1-O 3.43Å; N742-E744 VanDerWaalsContact C-N 3.27Å; N742-E744 HydrophobicContact CB-CG 3.94Å; N742-E744 WeakPolarHBondContact CB-OE2 3.33Å; N742-E744 PolarHBondContact ND2-OE2 3.13Å
745	M	35.8	Very low	36.7	Very low	30 Å²	30	92.6 Å²	92.6	15%	0.148	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.5	173	-69.8	-161.8	-35	0	0	110.5	F737 E738 L739 I818 A821	F737-M745 HydrophobicContact CB-CE 4.31Å; F737-M745 HydrophobicContact CB-SD 3.92Å; F737-M745 HydrophobicContact CD1-CE 3.61Å; F737-M745 HydrophobicContact CD1-SD 4.36Å; F737-M745 HydrophobicContact CE1-CE 4.12Å; F737-M745 HydrophobicContact CG-CE 4Å; F737-M745 HydrophobicContact CG-SD 4.23Å; E738-M745 CarbonylContact O-C 3.55Å; E738-M745 VanDerWaalsContact O-CA 3.3Å; E738-M745 WeakPolarHBondContact O-CA 3.43Å; L739-M745 HydrophobicContact CD2-CG 3.46Å; L739-M745 VanDerWaalsContact CD2-CG 3.46Å; L739-M745 HydrophobicContact CG-CG 4.08Å; M745-I818 HydrophobicContact CE-CB 4.2Å; M745-I818 HydrophobicContact CE-CG1 3.59Å; M745-I818 HydrophobicContact CE-CG2 4.42Å; M745-I818 HydrophobicContact SD-CG1 4.06Å; M745-A821 HydrophobicContact CB-CB 4.45Å; M745-A821 HydrophobicContact CE-CB 3.76Å
746	F	38.5	Very low	36.7	Very low	82 Å²	82	96.3 Å²	96.3	36%	0.36	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	156.8	168.2	59.7	-82.6	0	0	0	111	E738 N740 L748	E738-F746 HydrophobicContact CB-CD1 4.44Å; E738-F746 HydrophobicContact CB-CD2 4.32Å; E738-F746 HydrophobicContact CB-CE1 3.91Å; E738-F746 HydrophobicContact CB-CE2 3.78Å; E738-F746 HydrophobicContact CB-CZ 3.57Å; E738-F746 HydrophobicContact CG-CE1 3.92Å; E738-F746 HydrophobicContact CG-CE2 4.13Å; E738-F746 HydrophobicContact CG-CZ 3.49Å; E738-F746 VanDerWaalsContact CG-CZ 3.49Å; E738-F746 PolarHBondContact N-O 3.47Å; E738-F746 WeakPolarHBondContact O-CD1 3.48Å; E738-F746 WeakPolarHBondContact O-CE1 3.36Å; E738-F746 PolarHBondContact O-N 2.97Å; E738-F746 WeakPolarHBondContact OE2-CE2 3.35Å; E738-F746 VanDerWaalsContact OE2-CZ 3.31Å; E738-F746 WeakPolarHBondContact OE2-CZ 3.05Å; N740-F746 HydrophobicContact CB-CD1 3.99Å; N740-F746 HydrophobicContact CB-CE1 3.76Å; F746-L748 HydrophobicContact CE2-CD2 4.21Å
747	L	37.3	Very low	36.7	Very low	63 Å²	63	99.7 Å²	99.7	33%	0.33	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.2	-178.8	-174.8	73	0	0	0	109.5	L735 F737 E749	L735-L747 HydrophobicContact CD2-CD1 3.92Å; F737-L747 HydrophobicContact CE1-CD1 4.45Å; L747-E749 PolarHBondContact O-N 2.83Å
748	L	41.4	Very low	36.8	Very low	68 Å²	68	103.3 Å²	103.3	36%	0.356	52%	0.516	S	S	.	.			trans	-81	113.3	171.4	-72.7	163.7	0	0	0	110	T736 E738 F746 N750	T736-L748 HydrophobicContact CG2-CD1 3.78Å; T736-L748 PolarHBondContact O-N 2.82Å; T736-L748 VanDerWaalsContact O-N 3.1Å; E738-L748 HydrophobicContact CB-CD1 4.11Å; E738-L748 HydrophobicContact CB-CG 4.42Å; F746-L748 HydrophobicContact CE2-CD2 4.21Å; L748-N750 PolarHBondContact O-N 2.86Å
749	E	41.5	Very low	36.8	Very low	150 Å²	150	103.4 Å²	103.4	70%	0.701	52%	0.52	S	S	*	.			trans	-64.1	123.7	172.9	-73.2	-164.9	122.5	0	0	111	L747	L747-E749 PolarHBondContact O-N 2.83Å
750	N	35.2	Very low	37.1	Very low	95 Å²	95	107.2 Å²	107.2	51%	0.508	54%	0.54	S	S	.	.			trans	-87.1	117.8	177.5	-172.7	45.8	0	0	0	110.7	L748 N752	L748-N750 PolarHBondContact O-N 2.86Å; N750-N752 PolarHBondContact O-N 3.34Å
751	N	32.8	Very low	37	Very low	133 Å²	133	109.2 Å²	109.2	71%	0.711	56%	0.557	S	S	*	*			trans	-70.7	18.6	-168.4	-99.6	-64.8	0	0	0	116.6	R753	N751-R753 PolarHBondContact O-N 3.29Å
752	N	33.3	Very low	37.1	Very low	128 Å²	128	103 Å²	103	68%	0.684	53%	0.53	S	S	*	.			trans	-75.5	89.4	178.9	-79.9	25	0	0	0	111.2	N750	N750-N752 PolarHBondContact O-N 3.34Å
753	R	29	Very low	37	Very low	200 Å²	200	98.4 Å²	98.4	76%	0.755	51%	0.507	S	S	*	.			trans	-69.8	153.7	169.2	-58.9	176.6	179.8	179.6	-2.1	110.8	N751	N751-R753 PolarHBondContact O-N 3.29Å
754	N	29.3	Very low	37.1	Very low	159 Å²	159	99.9 Å²	99.9	85%	0.85	51%	0.509	S	S	*	.			trans	66.6	60.9	160.4	-51.6	-5.9	0	0	0	117.2
755	E	35.7	Very low	37.6	Very low	136 Å²	136	99.2 Å²	99.2	64%	0.636	50%	0.502	S	S	*	.			trans	-123.3	132.3	149.6	-76.3	-172.1	-158.6	0	0	109.8	Y732	Y732-E755 VanDerWaalsContact CE2-OE2 3.31Å; Y732-E755 WeakPolarHBondContact CE2-OE2 3.49Å; Y732-E755 VanDerWaalsContact CZ-OE2 3.28Å; Y732-E755 VanDerWaalsContact OH-CD 3.25Å; Y732-E755 PolarHBondContact OH-OE1 3.18Å; Y732-E755 PolarHBondContact OH-OE2 3.21Å
756	D	35.5	Very low	38.2	Very low	135 Å²	135	99.2 Å²	99.2	72%	0.722	50%	0.504	S	S	*	.			trans	-73.4	128.3	-173.8	-67.8	-59.1	0	0	0	111.7	T758	D756-T758 VanDerWaalsContact C-N 3.29Å; D756-T758 PolarHBondContact O-N 3.05Å
757	L	37.9	Very low	38.6	Very low	95 Å²	95	96.9 Å²	96.9	50%	0.497	50%	0.5	S	S	.	.			trans	-70.1	87	174.5	-103.6	153.7	0	0	0	109.3	V759 L832 A836	L757-V759 PolarHBondContact O-N 3.07Å; L757-L832 HydrophobicContact CD1-CB 4.33Å; L757-A836 HydrophobicContact CB-CB 4.01Å; L757-A836 HydrophobicContact CD1-CB 4.25Å; L757-A836 HydrophobicContact CD2-CB 4.28Å; L757-A836 HydrophobicContact CG-CB 4.41Å
758	T	39	Very low	39.1	Very low	102 Å²	102	100.1 Å²	100.1	63%	0.626	51%	0.511	S	S	*	.			trans	-65.3	94.4	174.2	39	0	0	0	0	110.2	D756 D760	D756-T758 VanDerWaalsContact C-N 3.29Å; D756-T758 PolarHBondContact O-N 3.05Å; T758-D760 PolarHBondContact O-N 3.07Å
759	V	40.1	Very low	39.6	Very low	43 Å²	43	97.7 Å²	97.7	26%	0.261	50%	0.498	S	S	.	.			trans	-75.7	91	179.3	175.3	0	0	0	0	110	L757 A763 A836 V840	L757-V759 PolarHBondContact O-N 3.07Å; V759-A763 HydrophobicContact CG1-CB 3.69Å; V759-A836 HydrophobicContact CG2-CB 3.52Å; V759-V840 HydrophobicContact CB-CG2 3.42Å; V759-V840 VanDerWaalsContact CB-CG2 3.42Å; V759-V840 HydrophobicContact CG1-CB 4.29Å; V759-V840 HydrophobicContact CG1-CG2 3.58Å; V759-V840 HydrophobicContact CG2-CG2 3.87Å
760	D	42.8	Very low	40.3	Very low	111 Å²	111	91.9 Å²	91.9	59%	0.594	47%	0.47	S	S	*	.			trans	-75.7	169.1	159.9	-152.3	-43.7	0	0	0	110.1	T758 D762 A763	T758-D760 PolarHBondContact O-N 3.07Å; D760-D762 PolarHBondContact O-N 3.19Å; D760-A763 WeakPolarHBondContact O-CB 3.46Å; D760-A763 PolarHBondContact O-N 3.05Å
761	S	39.7	Very low	41.2	Very low	84 Å²	84	94.4 Å²	94.4	59%	0.587	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-28.9	167.3	56.9	0	0	0	0	114.8	A763 F764	S761-A763 PolarHBondContact O-N 2.75Å; S761-A763 VanDerWaalsContact O-N 3.16Å; S761-F764 PolarHBondContact O-N 2.92Å
762	D	40.6	Very low	42.4	Very low	36 Å²	36	93.5 Å²	93.5	19%	0.193	47%	0.468	C	S	.	.	H	α-helix	trans	-55.4	-25.4	173.3	-82.3	12.7	0	0	0	114.3	P729 D760 F764 R765 T766	P729-D762 WeakPolarHBondContact CD-OD2 3.3Å; D760-D762 PolarHBondContact O-N 3.19Å; D762-F764 VanDerWaalsContact C-N 3.29Å; D762-F764 PolarHBondContact O-N 2.89Å; D762-R765 WeakPolarHBondContact O-CA 3.33Å; D762-R765 WeakPolarHBondContact O-CB 3.35Å; D762-R765 PolarHBondContact O-N 2.96Å; D762-R765 IonicContact OD1-CZ 2.69Å; D762-R765 IonicContact OD1-NH1 2.68Å; D762-R765 PolarHBondContact OD1-NH1 3.42Å; D762-R765 IonicContact OD1-NH2 2.68Å; D762-R765 PolarHBondContact OD1-NH2 2.93Å; D762-R765 IonicContact OD2-CZ 3.1Å; D762-R765 IonicContact OD2-NH2 3.65Å; D762-R765 PolarHBondContact OD2-NH2 2.84Å; D762-T766 PolarHBondContact O-N 3.34Å; D762-T766 PolarHBondContact O-OG1 2.85Å
763	A	40.3	Very low	43.5	Very low	15 Å²	15	88 Å²	88	12%	0.124	44%	0.439	C	S	.	.	H	α-helix	trans	-66.8	-25	-179.8	0	0	0	0	0	114.5	V759 D760 S761 T766 A767	V759-A763 HydrophobicContact CG1-CB 3.69Å; D760-A763 WeakPolarHBondContact O-CB 3.46Å; D760-A763 PolarHBondContact O-N 3.05Å; S761-A763 PolarHBondContact O-N 2.75Å; S761-A763 VanDerWaalsContact O-N 3.16Å; A763-T766 WeakPolarHBondContact CA-OG1 3.47Å; A763-T766 PolarHBondContact O-OG1 3.17Å; A763-A767 PolarHBondContact O-N 2.78Å
764	F	40.1	Very low	45	Very low	132 Å²	132	80.6 Å²	80.6	58%	0.579	41%	0.414	S	S	*	.	H	α-helix	trans	-81.2	-26.6	170.6	-80.2	-85.7	0	0	0	111.9	S761 D762 L868	S761-F764 PolarHBondContact O-N 2.92Å; D762-F764 VanDerWaalsContact C-N 3.29Å; D762-F764 PolarHBondContact O-N 2.89Å; F764-L868 HydrophobicContact CE1-CD1 4.38Å
765	R	43.8	Very low	46.6	Very low	87 Å²	87	76 Å²	76	33%	0.328	39%	0.394	S	S	.	.	H	α-helix	trans	-72.7	-44.4	173.7	-170.6	168.9	67.9	-102.4	1.4	111.2	L727 D762 A767 F768 E769	L727-R765 PolarHBondContact O-NH2 2.82Å; D762-R765 WeakPolarHBondContact O-CA 3.33Å; D762-R765 WeakPolarHBondContact O-CB 3.35Å; D762-R765 PolarHBondContact O-N 2.96Å; D762-R765 IonicContact OD1-CZ 2.69Å; D762-R765 IonicContact OD1-NH1 2.68Å; D762-R765 PolarHBondContact OD1-NH1 3.42Å; D762-R765 IonicContact OD1-NH2 2.68Å; D762-R765 PolarHBondContact OD1-NH2 2.93Å; D762-R765 IonicContact OD2-CZ 3.1Å; D762-R765 IonicContact OD2-NH2 3.65Å; D762-R765 PolarHBondContact OD2-NH2 2.84Å; R765-A767 VanDerWaalsContact C-N 3.29Å; R765-A767 PolarHBondContact O-N 2.85Å; R765-F768 PolarHBondContact O-N 2.04Å; R765-F768 VanDerWaalsContact O-N 3.08Å; R765-E769 HydrophobicContact CG-CG 4.37Å; R765-E769 IonicContact NE-OE1 3.9Å; R765-E769 WeakPolarHBondContact O-CG 3.36Å; R765-E769 PolarHBondContact O-N 3.35Å
766	T	47.4	Very low	47.8	Very low	30 Å²	30	70.3 Å²	70.3	18%	0.184	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-39.6	173.2	48.1	0	0	0	0	112.3	A728 D762 A763 F768 E769 Y770	A728-T766 HydrophobicContact CB-CG2 3.31Å; D762-T766 PolarHBondContact O-N 3.34Å; D762-T766 PolarHBondContact O-OG1 2.85Å; A763-T766 WeakPolarHBondContact CA-OG1 3.47Å; A763-T766 PolarHBondContact O-OG1 3.17Å; T766-F768 PolarHBondContact O-N 3.23Å; T766-E769 PolarHBondContact O-N 3.19Å; T766-Y770 WeakPolarHBondContact O-CB 3.33Å; T766-Y770 PolarHBondContact O-N 3.45Å
767	A	46.9	Very low	49	Very low	33 Å²	33	64.3 Å²	64.3	27%	0.273	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-28.9	177.1	0	0	0	0	0	113.6	A763 R765	A763-A767 PolarHBondContact O-N 2.78Å; R765-A767 VanDerWaalsContact C-N 3.29Å; R765-A767 PolarHBondContact O-N 2.85Å
768	F	48.9	Very low	50.2	Low	130 Å²	130	62 Å²	62	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-82.2	-49.6	173.6	-167.2	-83.2	0	0	0	111.9	R765 T766 Y770 K771 E772	R765-F768 PolarHBondContact O-N 2.04Å; R765-F768 VanDerWaalsContact O-N 3.08Å; T766-F768 PolarHBondContact O-N 3.23Å; F768-Y770 PolarHBondContact O-N 3.42Å; F768-K771 WeakPolarHBondContact O-CB 3.46Å; F768-K771 PolarHBondContact O-N 2.79Å; F768-E772 HydrophobicContact CD1-CG 4.44Å; F768-E772 HydrophobicContact CE1-CG 4.13Å; F768-E772 PolarHBondContact O-N 2.92Å
769	E	50.8	Low	51.4	Low	17 Å²	17	62 Å²	62	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-55.3	-37.5	176	-69	178	-174.3	0	0	112	W724 S726 L727 R765 T766 L773	W724-E769 PolarHBondContact NE1-O 2.87Å; S726-E769 WeakPolarHBondContact CA-OE2 3.46Å; S726-E769 WeakPolarHBondContact CB-OE2 3.35Å; S726-E769 PolarHBondContact OG-OE2 2.82Å; L727-E769 WeakPolarHBondContact CA-OE1 3.48Å; L727-E769 WeakPolarHBondContact CB-OE1 3.19Å; L727-E769 PolarHBondContact N-OE1 3.31Å; L727-E769 PolarHBondContact N-OE2 3.3Å; R765-E769 HydrophobicContact CG-CG 4.37Å; R765-E769 IonicContact NE-OE1 3.9Å; R765-E769 WeakPolarHBondContact O-CG 3.36Å; R765-E769 PolarHBondContact O-N 3.35Å; T766-E769 PolarHBondContact O-N 3.19Å; E769-L773 WeakPolarHBondContact O-CB 3.16Å; E769-L773 PolarHBondContact O-N 3.45Å
770	Y	57.1	Low	52.5	Low	28 Å²	28	60.5 Å²	60.5	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-44.4	173.3	172.8	-93	0	0	0	112.5	T766 F768 E772 L773 N774 L826 R830	T766-Y770 WeakPolarHBondContact O-CB 3.33Å; T766-Y770 PolarHBondContact O-N 3.45Å; F768-Y770 PolarHBondContact O-N 3.42Å; Y770-E772 VanDerWaalsContact C-N 3.32Å; Y770-E772 PolarHBondContact O-N 2.96Å; Y770-L773 PolarHBondContact O-N 2.86Å; Y770-N774 HydrophobicContact CE1-CB 4.19Å; Y770-N774 WeakPolarHBondContact O-CB 3.49Å; Y770-N774 PolarHBondContact O-N 3.48Å; Y770-L826 HydrophobicContact CD2-CD2 3.9Å; Y770-L826 HydrophobicContact CE2-CB 3.84Å; Y770-L826 HydrophobicContact CE2-CD2 3.87Å; Y770-L826 HydrophobicContact CE2-CG 4.43Å; Y770-L826 WeakPolarHBondContact CE2-O 3.45Å; Y770-R830 HydrophobicContact CE1-CB 4.11Å; Y770-R830 HydrophobicContact CE1-CG 4.11Å; Y770-R830 HydrophobicContact CE2-CB 3.82Å; Y770-R830 WeakPolarHBondContact OH-CD 3.46Å
771	K	53.4	Low	53.3	Low	149 Å²	149	60.7 Å²	60.7	65%	0.648	31%	0.305	S	S	*	.	H	α-helix	trans	-64.6	-39.6	-177.5	-172.2	-175.5	176	-170.7	0	111	F768 S775	F768-K771 WeakPolarHBondContact O-CB 3.46Å; F768-K771 PolarHBondContact O-N 2.79Å; K771-S775 WeakPolarHBondContact O-CB 3.17Å; K771-S775 PolarHBondContact O-N 2.72Å; K771-S775 VanDerWaalsContact O-N 3.07Å
772	E	59.2	Low	54.3	Low	114 Å²	114	65.3 Å²	65.3	53%	0.533	31%	0.311	S	S	.	.	H	α-helix	trans	-66.9	-48.5	173.8	-64.5	-163.7	151.4	0	0	112	F768 Y770 N774 S775 F776	F768-E772 HydrophobicContact CD1-CG 4.44Å; F768-E772 HydrophobicContact CE1-CG 4.13Å; F768-E772 PolarHBondContact O-N 2.92Å; Y770-E772 VanDerWaalsContact C-N 3.32Å; Y770-E772 PolarHBondContact O-N 2.96Å; E772-N774 PolarHBondContact O-N 3.47Å; E772-S775 WeakPolarHBondContact O-CB 2.97Å; E772-S775 PolarHBondContact O-N 3.28Å; E772-F776 WeakPolarHBondContact O-CB 3.42Å; E772-F776 PolarHBondContact O-N 3.19Å
773	L	57.1	Low	55.2	Low	12 Å²	12	67 Å²	67	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-43.7	179.7	-179.1	57.6	0	0	0	112.1	F698 W724 E769 Y770 S775 F776 L777 L826	F698-L773 HydrophobicContact CE2-CD1 4.29Å; F698-L773 HydrophobicContact CZ-CD1 3.96Å; W724-L773 HydrophobicContact CD2-CD1 4.29Å; W724-L773 HydrophobicContact CD2-CD2 4.22Å; W724-L773 HydrophobicContact CE3-CD2 4.4Å; W724-L773 HydrophobicContact CG-CD1 4.4Å; W724-L773 HydrophobicContact CH2-CD2 3.66Å; W724-L773 HydrophobicContact CZ2-CB 4.23Å; W724-L773 HydrophobicContact CZ2-CD2 3.47Å; W724-L773 VanDerWaalsContact CZ2-CD2 3.47Å; W724-L773 HydrophobicContact CZ2-CG 4.38Å; W724-L773 HydrophobicContact CZ3-CD2 4.14Å; E769-L773 WeakPolarHBondContact O-CB 3.16Å; E769-L773 PolarHBondContact O-N 3.45Å; Y770-L773 PolarHBondContact O-N 2.86Å; L773-S775 VanDerWaalsContact C-N 3.34Å; L773-S775 PolarHBondContact O-N 2.8Å; L773-F776 HydrophobicContact CD1-CD1 4.31Å; L773-F776 PolarHBondContact O-N 3.07Å; L773-L777 HydrophobicContact CD1-CD1 3.7Å; L773-L777 HydrophobicContact CD1-CG 4.11Å; L773-L777 HydrophobicContact CG-CD1 3.84Å; L773-L777 PolarHBondContact O-N 3.29Å; L773-L826 HydrophobicContact CD2-CD1 3.98Å; L773-L826 HydrophobicContact CD2-CD2 3.71Å; L773-L826 HydrophobicContact CD2-CG 4.45Å; L773-L826 HydrophobicContact CG-CD1 3.96Å; L773-L826 HydrophobicContact CG-CD2 4.37Å
774	N	60.5	Low	56	Low	44 Å²	44	71.9 Å²	71.9	24%	0.235	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-41.5	175.4	-176.1	79.9	0	0	0	111.4	Y770 E772 T778	Y770-N774 HydrophobicContact CE1-CB 4.19Å; Y770-N774 WeakPolarHBondContact O-CB 3.49Å; Y770-N774 PolarHBondContact O-N 3.48Å; E772-N774 PolarHBondContact O-N 3.47Å; N774-T778 VanDerWaalsContact O-CB 3.22Å; N774-T778 WeakPolarHBondContact O-CB 3.41Å; N774-T778 PolarHBondContact O-N 3.43Å; N774-T778 PolarHBondContact O-OG1 2.97Å
775	S	61	Low	57.1	Low	63 Å²	63	69.6 Å²	69.6	44%	0.441	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-39.9	174.6	-167	0	0	0	0	112.2	K771 E772 L773 N779	K771-S775 WeakPolarHBondContact O-CB 3.17Å; K771-S775 PolarHBondContact O-N 2.72Å; K771-S775 VanDerWaalsContact O-N 3.07Å; E772-S775 WeakPolarHBondContact O-CB 2.97Å; E772-S775 PolarHBondContact O-N 3.28Å; L773-S775 VanDerWaalsContact C-N 3.34Å; L773-S775 PolarHBondContact O-N 2.8Å; S775-N779 WeakPolarHBondContact O-CB 3.19Å; S775-N779 VanDerWaalsContact O-CG 3.23Å; S775-N779 PolarHBondContact O-N 3.14Å; S775-N779 PolarHBondContact O-ND2 3.43Å
776	F	62.1	Low	58	Low	16 Å²	16	65.9 Å²	65.9	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-48.1	178.4	171.1	-108.1	0	0	0	112.2	F698 V700 Y722 E772 L773 N779 L780	F698-F776 HydrophobicContact CB-CE1 3.9Å; F698-F776 HydrophobicContact CB-CZ 3.71Å; F698-F776 AromaticContact CD1-CE1 3.56Å; F698-F776 HydrophobicContact CD1-CE1 3.56Å; F698-F776 HydrophobicContact CD1-CZ 4.16Å; F698-F776 HydrophobicContact CD2-CE1 4.02Å; F698-F776 AromaticContact CE1-CE1 3.92Å; F698-F776 HydrophobicContact CE1-CE1 3.92Å; F698-F776 HydrophobicContact CE2-CE1 4.39Å; F698-F776 AromaticContact CG-CE1 3.58Å; F698-F776 HydrophobicContact CG-CE1 3.58Å; F698-F776 AromaticContact CG-CZ 3.95Å; F698-F776 HydrophobicContact CG-CZ 3.95Å; F698-F776 HydrophobicContact CZ-CE1 4.34Å; V700-F776 HydrophobicContact CG2-CE2 4.07Å; V700-F776 HydrophobicContact CG2-CZ 3.87Å; Y722-F776 VanDerWaalsContact CB-CE2 3.44Å; Y722-F776 AromaticContact CD1-CD2 3.45Å; Y722-F776 HydrophobicContact CD1-CD2 3.45Å; Y722-F776 VanDerWaalsContact CD1-CD2 3.45Å; Y722-F776 AromaticContact CD1-CE2 3.7Å; Y722-F776 HydrophobicContact CD1-CE2 3.7Å; Y722-F776 HydrophobicContact CD1-CG 4.05Å; Y722-F776 HydrophobicContact CD1-CZ 4.46Å; Y722-F776 AromaticContact CD2-CD2 3.87Å; Y722-F776 HydrophobicContact CD2-CD2 3.87Å; Y722-F776 AromaticContact CD2-CE2 3.59Å; Y722-F776 HydrophobicContact CD2-CE2 3.59Å; Y722-F776 HydrophobicContact CE1-CB 4.45Å; Y722-F776 AromaticContact CE1-CD2 3.71Å; Y722-F776 HydrophobicContact CE1-CD2 3.71Å; Y722-F776 HydrophobicContact CE1-CE2 4.34Å; Y722-F776 HydrophobicContact CE1-CG 4.31Å; Y722-F776 HydrophobicContact CE2-CD2 4.1Å; Y722-F776 HydrophobicContact CE2-CE2 4.23Å; Y722-F776 AromaticContact CG-CD2 3.53Å; Y722-F776 HydrophobicContact CG-CD2 3.53Å; Y722-F776 AromaticContact CG-CE2 3.28Å; Y722-F776 HydrophobicContact CG-CE2 3.28Å; Y722-F776 HydrophobicContact CG-CG 4.47Å; Y722-F776 HydrophobicContact CG-CZ 4.04Å; E772-F776 WeakPolarHBondContact O-CB 3.42Å; E772-F776 PolarHBondContact O-N 3.19Å; L773-F776 HydrophobicContact CD1-CD1 4.31Å; L773-F776 PolarHBondContact O-N 3.07Å; F776-N779 PolarHBondContact O-N 3.07Å; F776-L780 HydrophobicContact CD1-CD1 4.08Å; F776-L780 HydrophobicContact CE1-CD1 3.45Å; F776-L780 VanDerWaalsContact CE1-CD1 3.45Å; F776-L780 HydrophobicContact CE1-CG 4.34Å; F776-L780 HydrophobicContact CE2-CD1 4.13Å; F776-L780 HydrophobicContact CE2-CG 4.22Å; F776-L780 HydrophobicContact CZ-CD1 3.49Å; F776-L780 VanDerWaalsContact CZ-CD1 3.49Å; F776-L780 HydrophobicContact CZ-CD2 4.44Å; F776-L780 HydrophobicContact CZ-CG 4.08Å; F776-L780 PolarHBondContact O-N 3.45Å
777	L	61.2	Low	59	Low	10 Å²	10	67.9 Å²	67.9	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-33.3	178.4	-72.2	163.2	0	0	0	112.6	L773 L780 Y781 L819 L822 L826	L773-L777 HydrophobicContact CD1-CD1 3.7Å; L773-L777 HydrophobicContact CD1-CG 4.11Å; L773-L777 HydrophobicContact CG-CD1 3.84Å; L773-L777 PolarHBondContact O-N 3.29Å; L777-L780 HydrophobicContact CD2-CD1 4.11Å; L777-L780 PolarHBondContact O-N 2.98Å; L777-Y781 WeakPolarHBondContact O-CB 3.45Å; L777-Y781 PolarHBondContact O-N 2.97Å; L777-L819 HydrophobicContact CD2-CD2 3.57Å; L777-L822 HydrophobicContact CD1-CB 4.38Å; L777-L822 HydrophobicContact CD2-CD1 4.1Å; L777-L826 HydrophobicContact CD1-CD1 3.24Å
778	T	62.4	Low	60	Low	47 Å²	47	66.7 Å²	66.7	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-45.5	170.3	-58.7	0	0	0	0	110.6	N774 L780 Y781 Y782	N774-T778 VanDerWaalsContact O-CB 3.22Å; N774-T778 WeakPolarHBondContact O-CB 3.41Å; N774-T778 PolarHBondContact O-N 3.43Å; N774-T778 PolarHBondContact O-OG1 2.97Å; T778-L780 PolarHBondContact O-N 3.26Å; T778-Y781 PolarHBondContact O-N 3Å; T778-Y782 HydrophobicContact CG2-CD2 3.83Å; T778-Y782 HydrophobicContact CG2-CE2 3.73Å; T778-Y782 VanDerWaalsContact O-CD2 3.28Å; T778-Y782 WeakPolarHBondContact O-CD2 3.29Å; T778-Y782 PolarHBondContact O-N 3.08Å
779	N	63.6	Low	60.8	Low	101 Å²	101	60.6 Å²	60.6	54%	0.54	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-36	176.1	-74.4	-11.3	0	0	0	112.6	S775 F776 N783	S775-N779 WeakPolarHBondContact O-CB 3.19Å; S775-N779 VanDerWaalsContact O-CG 3.23Å; S775-N779 PolarHBondContact O-N 3.14Å; S775-N779 PolarHBondContact O-ND2 3.43Å; F776-N779 PolarHBondContact O-N 3.07Å; N779-N783 WeakPolarHBondContact O-CB 3.21Å; N779-N783 PolarHBondContact O-N 3.44Å
780	L	62.9	Low	61.6	Low	12 Å²	12	62.3 Å²	62.3	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-42.9	172.7	-75.7	176	0	0	0	112.2	V700 F776 L777 T778 Y782 N783 V786 L789 L819	V700-L780 HydrophobicContact CB-CD2 4.45Å; V700-L780 HydrophobicContact CG1-CD2 3.57Å; V700-L780 HydrophobicContact CG2-CD2 3.96Å; F776-L780 HydrophobicContact CD1-CD1 4.08Å; F776-L780 HydrophobicContact CE1-CD1 3.45Å; F776-L780 VanDerWaalsContact CE1-CD1 3.45Å; F776-L780 HydrophobicContact CE1-CG 4.34Å; F776-L780 HydrophobicContact CE2-CD1 4.13Å; F776-L780 HydrophobicContact CE2-CG 4.22Å; F776-L780 HydrophobicContact CZ-CD1 3.49Å; F776-L780 VanDerWaalsContact CZ-CD1 3.49Å; F776-L780 HydrophobicContact CZ-CD2 4.44Å; F776-L780 HydrophobicContact CZ-CG 4.08Å; F776-L780 PolarHBondContact O-N 3.45Å; L777-L780 HydrophobicContact CD2-CD1 4.11Å; L777-L780 PolarHBondContact O-N 2.98Å; T778-L780 PolarHBondContact O-N 3.26Å; L780-Y782 VanDerWaalsContact C-N 3.35Å; L780-Y782 PolarHBondContact O-N 3.36Å; L780-N783 PolarHBondContact O-N 3.2Å; L780-V786 HydrophobicContact CD2-CG1 4.39Å; L780-V786 HydrophobicContact CD2-CG2 3.85Å; L780-L789 HydrophobicContact CD1-CD1 4.06Å; L780-L789 HydrophobicContact CD1-CD2 4Å; L780-L789 HydrophobicContact CD2-CD1 4.46Å; L780-L819 HydrophobicContact CB-CD1 4.21Å; L780-L819 HydrophobicContact CB-CD2 3.89Å; L780-L819 HydrophobicContact CD1-CD2 4.17Å
781	Y	60.8	Low	61.8	Low	115 Å²	115	62 Å²	62	45%	0.451	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-36.7	-178.3	-176.5	-95.7	0	0	0	113.1	L777 T778 L819	L777-Y781 WeakPolarHBondContact O-CB 3.45Å; L777-Y781 PolarHBondContact O-N 2.97Å; T778-Y781 PolarHBondContact O-N 3Å; Y781-L819 HydrophobicContact CD2-CB 4.04Å
782	Y	59.9	Low	62	Low	180 Å²	180	57.5 Å²	57.5	71%	0.706	28%	0.284	S	S	*	.	H	α-helix	trans	-88.5	-7.6	178	-69.2	-62.3	0	0	0	114.8	T778 L780 S784	T778-Y782 HydrophobicContact CG2-CD2 3.83Å; T778-Y782 HydrophobicContact CG2-CE2 3.73Å; T778-Y782 VanDerWaalsContact O-CD2 3.28Å; T778-Y782 WeakPolarHBondContact O-CD2 3.29Å; T778-Y782 PolarHBondContact O-N 3.08Å; L780-Y782 VanDerWaalsContact C-N 3.35Å; L780-Y782 PolarHBondContact O-N 3.36Å; Y782-S784 PolarHBondContact O-N 2.92Å
783	N	59.3	Low	61.7	Low	71 Å²	71	53.4 Å²	53.4	38%	0.38	27%	0.267	S	S	.	.			trans	-95.7	93.4	-177.6	-169.9	-7.4	0	0	0	111.6	N779 L780 L785 V786	N779-N783 WeakPolarHBondContact O-CB 3.21Å; N779-N783 PolarHBondContact O-N 3.44Å; L780-N783 PolarHBondContact O-N 3.2Å; N783-L785 PolarHBondContact O-N 2.99Å; N783-L785 WeakPolarHBondContact OD1-CB 3.45Å; N783-L785 PolarHBondContact OD1-N 3.08Å; N783-V786 HydrophobicContact CB-CG2 4.26Å; N783-V786 PolarHBondContact O-N 2.88Å
784	S	57.8	Low	61.4	Low	119 Å²	119	54.7 Å²	54.7	83%	0.832	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-3.6	-179.1	55	0	0	0	0	115.7	Y782	Y782-S784 PolarHBondContact O-N 2.92Å
785	L	63.2	Low	60.8	Low	83 Å²	83	54.3 Å²	54.3	44%	0.435	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.7	177.2	-57.4	175.1	0	0	0	113.7	T702 S703 N783 Y787	T702-L785 CarbonylContact C-O 3.49Å; T702-L785 VanDerWaalsContact CA-O 3.25Å; T702-L785 WeakPolarHBondContact CA-O 3.23Å; S703-L785 PolarHBondContact N-O 3.18Å; S703-L785 WeakPolarHBondContact OG-CA 3.31Å; S703-L785 PolarHBondContact OG-O 3.05Å; S703-L785 VanDerWaalsContact OG-O 3.1Å; N783-L785 PolarHBondContact O-N 2.99Å; N783-L785 WeakPolarHBondContact OD1-CB 3.45Å; N783-L785 PolarHBondContact OD1-N 3.08Å; L785-Y787 PolarHBondContact O-N 2.84Å
786	V	63	Low	60	Low	10 Å²	10	53.6 Å²	53.6	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.1	-179.8	-171.6	0	0	0	0	110.2	V700 T702 L780 N783 L815	V700-V786 HydrophobicContact CG1-CB 4.49Å; V700-V786 HydrophobicContact CG1-CG1 3.81Å; V700-V786 HydrophobicContact CG1-CG2 3.86Å; T702-V786 HydrophobicContact CG2-CG2 4.11Å; L780-V786 HydrophobicContact CD2-CG1 4.39Å; L780-V786 HydrophobicContact CD2-CG2 3.85Å; N783-V786 HydrophobicContact CB-CG2 4.26Å; N783-V786 PolarHBondContact O-N 2.88Å; V786-L815 HydrophobicContact CB-CD2 3.95Å; V786-L815 HydrophobicContact CG1-CD2 3.63Å; V786-L815 VanDerWaalsContact O-CD2 3.32Å; V786-L815 WeakPolarHBondContact O-CD2 3.44Å
787	Y	67.9	Low	58.9	Low	72 Å²	72	53.5 Å²	53.5	28%	0.282	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-26.3	179.3	66.8	-91.2	0	0	0	113.5	C701 L785 K811 H812	C701-Y787 HydrophobicContact CB-CD1 4.46Å; C701-Y787 HydrophobicContact CB-CE1 3.81Å; C701-Y787 HydrophobicContact CB-CE2 4Å; C701-Y787 WeakPolarHBondContact O-CD1 3.47Å; C701-Y787 PolarHBondContact O-N 2.91Å; L785-Y787 PolarHBondContact O-N 2.84Å; Y787-K811 WeakPolarHBondContact O-CA 3.43Å; Y787-H812 PolarHBondContact O-N 3.47Å; Y787-H812 VanDerWaalsContact O-N 3.07Å
788	E	68.2	Low	57.8	Low	8 Å²	8	58.3 Å²	58.3	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.6	180	177.7	173.4	133.6	0	0	110	C701 C714 R790 I809 I810 K811	C701-E788 HydrophobicContact CB-CB 4.01Å; C701-E788 PolarHBondContact N-O 3.41Å; C714-E788 PolarHBondContact SG-OE1 3.29Å; E788-R790 HydrophobicContact CG-CG 4.32Å; E788-R790 IonicContact OE1-CZ 3.5Å; E788-R790 IonicContact OE1-NE 3.23Å; E788-R790 PolarHBondContact OE1-NE 3.08Å; E788-R790 IonicContact OE1-NH2 2.75Å; E788-R790 PolarHBondContact OE1-NH2 3.13Å; E788-I809 HydrophobicContact CG-CG2 3.76Å; E788-I810 WeakPolarHBondContact CA-O 3.42Å; E788-K811 HydrophobicContact CB-CG 4.45Å; E788-K811 HydrophobicContact CG-CG 4.26Å; E788-K811 WeakPolarHBondContact OE2-CE 3.33Å; E788-K811 IonicContact OE2-NZ 2.69Å; E788-K811 PolarHBondContact OE2-NZ 3.46Å
789	L	65.2	Low	56.4	Low	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.5	178.2	-177.5	65.3	0	0	0	108	F698 V700 L780 F791 I810 L815	F698-L789 HydrophobicContact CD1-CD1 4.49Å; V700-L789 HydrophobicContact CB-CD1 4.43Å; V700-L789 HydrophobicContact CG2-CD1 3.85Å; L780-L789 HydrophobicContact CD1-CD1 4.06Å; L780-L789 HydrophobicContact CD1-CD2 4Å; L780-L789 HydrophobicContact CD2-CD1 4.46Å; L789-F791 HydrophobicContact CB-CE2 4.26Å; L789-F791 HydrophobicContact CD2-CE1 4.45Å; L789-F791 HydrophobicContact CD2-CE2 3.59Å; L789-F791 HydrophobicContact CD2-CZ 3.44Å; L789-F791 VanDerWaalsContact CD2-CZ 3.44Å; L789-F791 HydrophobicContact CG-CD2 4.31Å; L789-F791 HydrophobicContact CG-CE2 3.55Å; L789-F791 HydrophobicContact CG-CZ 3.89Å; L789-I810 PolarHBondContact N-O 3Å; L789-I810 PolarHBondContact O-N 2.89Å; L789-L815 HydrophobicContact CB-CD1 3.74Å; L789-L815 HydrophobicContact CD2-CD1 3.71Å; L789-L815 HydrophobicContact CG-CD1 4.4Å
790	R	67.7	Low	55.3	Low	54 Å²	54	61.1 Å²	61.1	20%	0.204	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142	177.6	-35.9	-173.2	172.7	-170.3	-1.8	111.2	F698 I699 E788 E807 L808 I809	F698-R790 WeakPolarHBondContact CA-O 3.42Å; I699-R790 HydrophobicContact CB-CB 4.03Å; I699-R790 HydrophobicContact CB-CG 4.28Å; I699-R790 HydrophobicContact CD1-CB 4.45Å; I699-R790 PolarHBondContact N-O 3.02Å; I699-R790 PolarHBondContact O-N 3.19Å; E788-R790 HydrophobicContact CG-CG 4.32Å; E788-R790 IonicContact OE1-CZ 3.5Å; E788-R790 IonicContact OE1-NE 3.23Å; E788-R790 PolarHBondContact OE1-NE 3.08Å; E788-R790 IonicContact OE1-NH2 2.75Å; E788-R790 PolarHBondContact OE1-NH2 3.13Å; R790-E807 WeakPolarHBondContact CD-OE2 3.48Å; R790-E807 IonicContact CZ-OE2 2.71Å; R790-E807 IonicContact NE-OE2 2.84Å; R790-E807 IonicContact NH1-OE2 3.37Å; R790-E807 PolarHBondContact NH1-OE2 3.38Å; R790-L808 WeakPolarHBondContact CA-O 3.48Å; R790-I809 HydrophobicContact CB-CG1 4.49Å; R790-I809 HydrophobicContact CG-CG1 4.15Å
791	F	61.4	Low	54.4	Low	20 Å²	20	64.8 Å²	64.8	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.5	177.7	-54.3	-118.8	0	0	0	108.3	V696 F698 L789 E807 L808 I810 L822	V696-F791 HydrophobicContact CG1-CD1 4.25Å; F698-F791 AromaticContact CD1-CD1 3.8Å; F698-F791 HydrophobicContact CD1-CD1 3.8Å; F698-F791 AromaticContact CD1-CE1 3.72Å; F698-F791 HydrophobicContact CD1-CE1 3.72Å; F698-F791 HydrophobicContact CD1-CZ 4.37Å; F698-F791 AromaticContact CE1-CD1 3.62Å; F698-F791 HydrophobicContact CE1-CD1 3.62Å; F698-F791 AromaticContact CE1-CE1 3.34Å; F698-F791 HydrophobicContact CE1-CE1 3.34Å; F698-F791 HydrophobicContact CE1-CZ 4.25Å; F698-F791 HydrophobicContact CZ-CD1 4.37Å; F698-F791 HydrophobicContact CZ-CE1 4.31Å; L789-F791 HydrophobicContact CB-CE2 4.26Å; L789-F791 HydrophobicContact CD2-CE1 4.45Å; L789-F791 HydrophobicContact CD2-CE2 3.59Å; L789-F791 HydrophobicContact CD2-CZ 3.44Å; L789-F791 VanDerWaalsContact CD2-CZ 3.44Å; L789-F791 HydrophobicContact CG-CD2 4.31Å; L789-F791 HydrophobicContact CG-CE2 3.55Å; L789-F791 HydrophobicContact CG-CZ 3.89Å; F791-E807 WeakPolarHBondContact O-CA 3.3Å; F791-L808 HydrophobicContact CB-CB 4.3Å; F791-L808 PolarHBondContact N-O 3.47Å; F791-L808 PolarHBondContact O-N 3.46Å; F791-I810 HydrophobicContact CD2-CD1 3.92Å; F791-I810 HydrophobicContact CE2-CB 4.32Å; F791-I810 HydrophobicContact CE2-CD1 3.38Å; F791-I810 HydrophobicContact CE2-CG1 4.33Å; F791-I810 HydrophobicContact CZ-CD1 4.04Å; F791-L822 HydrophobicContact CE1-CD1 4.29Å; F791-L822 HydrophobicContact CZ-CD1 4.26Å
792	R	57.9	Low	53.8	Low	55 Å²	55	61.3 Å²	61.3	21%	0.208	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.2	167.9	65	-173	-167.8	175.9	2.8	110.4	E697 P804	E697-R792 HydrophobicContact CB-CG 3.8Å; E697-R792 PolarHBondContact N-O 2.88Å; E697-R792 PolarHBondContact O-N 2.78Å; E697-R792 IonicContact OE1-NE 3.19Å; E697-R792 IonicContact OE1-NH2 2.82Å; E697-R792 IonicContact OE2-CZ 3.72Å; E697-R792 IonicContact OE2-NE 3.85Å; E697-R792 PolarHBondContact OE2-NE 3.3Å; E697-R792 IonicContact OE2-NH2 2.9Å; E697-R792 PolarHBondContact OE2-NH2 2.93Å; R792-P804 HydrophobicContact CB-CB 4.26Å; R792-P804 HydrophobicContact CG-CB 4.44Å
793	V	52.7	Low	53.3	Low	29 Å²	29	61.1 Å²	61.1	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.8	-179.5	-177.2	0	0	0	0	108.7	F694 Q695 S805	F694-V793 HydrophobicContact CB-CG1 4.43Å; F694-V793 HydrophobicContact CD1-CG1 3.73Å; Q695-V793 CarbonylContact O-C 3.49Å; Q695-V793 WeakPolarHBondContact O-CA 3.4Å; V793-S805 PolarHBondContact N-OG 3Å; V793-S805 PolarHBondContact O-N 3.29Å
794	K	50.6	Low	53.1	Low	39 Å²	39	60.6 Å²	60.6	17%	0.17	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.2	167.1	-70.4	173.6	177.1	171.2	0	108.1	F694 Q695 E697 V801 P804	F694-K794 WeakPolarHBondContact CA-O 3.44Å; Q695-K794 HydrophobicContact CB-CB 4.24Å; Q695-K794 PolarHBondContact N-O 3.35Å; Q695-K794 PolarHBondContact O-N 3.28Å; E697-K794 WeakPolarHBondContact OE1-CD 3.12Å; E697-K794 VanDerWaalsContact OE1-CE 3.28Å; E697-K794 WeakPolarHBondContact OE1-CE 3.48Å; E697-K794 IonicContact OE1-NZ 2.92Å; E697-K794 PolarHBondContact OE1-NZ 3.15Å; K794-V801 HydrophobicContact CB-CG1 4.2Å; K794-V801 HydrophobicContact CD-CG1 4.17Å; K794-V801 HydrophobicContact CG-CG1 4.5Å; K794-P804 HydrophobicContact CG-CB 4.04Å
795	S	48.3	Very low	53	Low	35 Å²	35	55.8 Å²	55.8	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130	168.3	66.7	0	0	0	0	109.4	S802	S795-S802 PolarHBondContact N-OG 3.28Å; S795-S802 PolarHBondContact O-N 3.18Å; S795-S802 WeakPolarHBondContact OG-CB 3.44Å
796	F	43.6	Very low	52.5	Low	48 Å²	48	57.8 Å²	57.8	21%	0.211	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	96.9	170.5	-72.3	-57.3	0	0	0	107.8	Y693 Q695 V801	Y693-F796 PolarHBondContact N-O 3.5Å; Y693-F796 VanDerWaalsContact N-O 3.07Å; Y693-F796 PolarHBondContact O-N 3Å; Q695-F796 HydrophobicContact CB-CD2 4.19Å; Q695-F796 HydrophobicContact CB-CE2 3.56Å; Q695-F796 HydrophobicContact CB-CZ 4.19Å; Q695-F796 HydrophobicContact CG-CE2 3.95Å; Q695-F796 HydrophobicContact CG-CZ 4.46Å; F796-V801 HydrophobicContact CD1-CB 4.23Å; F796-V801 HydrophobicContact CD1-CG1 3.85Å; F796-V801 HydrophobicContact CD1-CG2 3.86Å; F796-V801 HydrophobicContact CE1-CB 4.26Å; F796-V801 HydrophobicContact CE1-CG1 3.64Å; F796-V801 HydrophobicContact CE1-CG2 3.74Å
797	G	39.6	Very low	52.3	Low	15 Å²	15	60.7 Å²	60.7	16%	0.155	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.5	156.8	0	0	0	0	0	109.2	M799 S800	G797-M799 PolarHBondContact O-N 3.05Å; G797-S800 PolarHBondContact N-O 3.43Å; G797-S800 PolarHBondContact O-N 3.1Å; G797-S800 VanDerWaalsContact O-O 3.13Å
798	L	38.9	Very low	51.9	Low	111 Å²	111	60.1 Å²	60.1	58%	0.581	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-5.7	179	-70.7	157	0	0	0	118	K383 Y693	K383-L798 HydrophobicContact CD-CB 4.08Å; K383-L798 HydrophobicContact CD-CD1 4.16Å; Y693-L798 HydrophobicContact CE2-CD2 4.28Å
799	M	32.8	Very low	51.6	Low	140 Å²	140	63.3 Å²	63.3	69%	0.69	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.9	13.8	175.8	-61.2	-171	76.8	0	0	113	G797	G797-M799 PolarHBondContact O-N 3.05Å
800	S	39.1	Very low	51.6	Low	67 Å²	67	64.1 Å²	64.1	47%	0.469	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	122.6	-169.1	56.6	0	0	0	0	111.9	G797	G797-S800 PolarHBondContact N-O 3.43Å; G797-S800 PolarHBondContact O-N 3.1Å; G797-S800 VanDerWaalsContact O-O 3.13Å
801	V	44.3	Very low	51.4	Low	89 Å²	89	66.9 Å²	66.9	54%	0.539	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.5	162.5	-161.2	0	0	0	0	107.5	K794 F796	K794-V801 HydrophobicContact CB-CG1 4.2Å; K794-V801 HydrophobicContact CD-CG1 4.17Å; K794-V801 HydrophobicContact CG-CG1 4.5Å; F796-V801 HydrophobicContact CD1-CB 4.23Å; F796-V801 HydrophobicContact CD1-CG1 3.85Å; F796-V801 HydrophobicContact CD1-CG2 3.86Å; F796-V801 HydrophobicContact CE1-CB 4.26Å; F796-V801 HydrophobicContact CE1-CG1 3.64Å; F796-V801 HydrophobicContact CE1-CG2 3.74Å
802	S	49.4	Very low	51.2	Low	41 Å²	41	72 Å²	72	29%	0.287	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.4	160.7	168.3	74.2	0	0	0	0	111	S795	S795-S802 PolarHBondContact N-OG 3.28Å; S795-S802 PolarHBondContact O-N 3.18Å; S795-S802 WeakPolarHBondContact OG-CB 3.44Å
803	E	49.5	Very low	51.3	Low	177 Å²	177	74 Å²	74	83%	0.827	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-53.8	142.7	153	-64.8	-175.8	151.2	0	0	108.8	S805	E803-S805 PolarHBondContact O-N 2.95Å
804	P	53.8	Low	51.6	Low	60 Å²	60	76.6 Å²	76.6	39%	0.39	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-59.7	139.1	173.3	25.9	-32.5	0	0	0	109.5	R792 K794	R792-P804 HydrophobicContact CB-CB 4.26Å; R792-P804 HydrophobicContact CG-CB 4.44Å; K794-P804 HydrophobicContact CG-CB 4.04Å
805	S	55.8	Low	52.1	Low	17 Å²	17	75 Å²	75	12%	0.119	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-52.8	153.5	168.5	71.4	0	0	0	0	110.4	V793 E803 E807	V793-S805 PolarHBondContact N-OG 3Å; V793-S805 PolarHBondContact O-N 3.29Å; E803-S805 PolarHBondContact O-N 2.95Å; S805-E807 PolarHBondContact O-N 3.22Å
806	N	52.1	Low	52.8	Low	125 Å²	125	76.1 Å²	76.1	67%	0.668	41%	0.41	S	S	*	.			trans	-44.9	136.5	164.2	-59.5	2.4	0	0	0	109.3	W665 L808	W665-N806 PolarHBondContact NE1-O 3.48Å; W665-N806 VanDerWaalsContact NE1-O 3.09Å; N806-L808 PolarHBondContact O-N 3.26Å
807	E	60.1	Low	53.5	Low	72 Å²	72	75.7 Å²	75.7	34%	0.336	41%	0.413	S	S	.	.			trans	-66.1	118	-177.3	-57.8	-163.8	147.9	0	0	109.6	I699 R790 F791 S805 I809	I699-E807 WeakPolarHBondContact CD1-OE1 3.39Å; R790-E807 WeakPolarHBondContact CD-OE2 3.48Å; R790-E807 IonicContact CZ-OE2 2.71Å; R790-E807 IonicContact NE-OE2 2.84Å; R790-E807 IonicContact NH1-OE2 3.37Å; R790-E807 PolarHBondContact NH1-OE2 3.38Å; F791-E807 WeakPolarHBondContact O-CA 3.3Å; S805-E807 PolarHBondContact O-N 3.22Å; E807-I809 HydrophobicContact CB-CG1 4.14Å; E807-I809 PolarHBondContact O-N 3.29Å
808	L	58.7	Low	54.5	Low	59 Å²	59	76.1 Å²	76.1	31%	0.309	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	106.5	167	179.3	70.6	0	0	0	106.9	W665 R790 F791 N806 I810	W665-L808 HydrophobicContact CE3-CD1 4.4Å; W665-L808 HydrophobicContact CH2-CB 4.18Å; W665-L808 HydrophobicContact CH2-CD2 4Å; W665-L808 HydrophobicContact CZ2-CB 4.11Å; W665-L808 HydrophobicContact CZ3-CD1 4.47Å; W665-L808 HydrophobicContact CZ3-CD2 3.95Å; R790-L808 WeakPolarHBondContact CA-O 3.48Å; F791-L808 HydrophobicContact CB-CB 4.3Å; F791-L808 PolarHBondContact N-O 3.47Å; F791-L808 PolarHBondContact O-N 3.46Å; N806-L808 PolarHBondContact O-N 3.26Å; L808-I810 HydrophobicContact CD2-CD1 3.82Å; L808-I810 HydrophobicContact CG-CD1 4.07Å; L808-I810 HydrophobicContact CG-CG1 4.33Å
809	I	63.1	Low	55.6	Low	76 Å²	76	71.2 Å²	71.2	39%	0.39	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.1	-178.1	-57.9	175.8	0	0	0	108.9	E788 R790 E807 K811	E788-I809 HydrophobicContact CG-CG2 3.76Å; R790-I809 HydrophobicContact CB-CG1 4.49Å; R790-I809 HydrophobicContact CG-CG1 4.15Å; E807-I809 HydrophobicContact CB-CG1 4.14Å; E807-I809 PolarHBondContact O-N 3.29Å; I809-K811 HydrophobicContact CG2-CG 4.11Å
810	I	63.8	Low	56.9	Low	17 Å²	17	68 Å²	68	9%	0.087	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.7	177.7	-74.2	156.5	0	0	0	108.6	E788 L789 F791 L808 L815 I818	E788-I810 WeakPolarHBondContact CA-O 3.42Å; L789-I810 PolarHBondContact N-O 3Å; L789-I810 PolarHBondContact O-N 2.89Å; F791-I810 HydrophobicContact CD2-CD1 3.92Å; F791-I810 HydrophobicContact CE2-CB 4.32Å; F791-I810 HydrophobicContact CE2-CD1 3.38Å; F791-I810 HydrophobicContact CE2-CG1 4.33Å; F791-I810 HydrophobicContact CZ-CD1 4.04Å; L808-I810 HydrophobicContact CD2-CD1 3.82Å; L808-I810 HydrophobicContact CG-CD1 4.07Å; L808-I810 HydrophobicContact CG-CG1 4.33Å; I810-L815 HydrophobicContact CG2-CB 4.26Å; I810-L815 HydrophobicContact CG2-CD1 3.96Å; I810-I818 HydrophobicContact CB-CD1 4.33Å; I810-I818 HydrophobicContact CD1-CD1 3.9Å; I810-I818 HydrophobicContact CD1-CG2 4.03Å; I810-I818 HydrophobicContact CG1-CD1 3.83Å; I810-I818 HydrophobicContact CG2-CD1 3.53Å
811	K	64	Low	57.8	Low	112 Å²	112	65 Å²	65	49%	0.487	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.3	-179.6	-51.5	-160.2	-170.6	-144.4	0	111.3	Y787 E788 I809 L814 L815	Y787-K811 WeakPolarHBondContact O-CA 3.43Å; E788-K811 HydrophobicContact CB-CG 4.45Å; E788-K811 HydrophobicContact CG-CG 4.26Å; E788-K811 WeakPolarHBondContact OE2-CE 3.33Å; E788-K811 IonicContact OE2-NZ 2.69Å; E788-K811 PolarHBondContact OE2-NZ 3.46Å; I809-K811 HydrophobicContact CG2-CG 4.11Å; K811-L814 PolarHBondContact O-N 3.03Å; K811-L815 PolarHBondContact O-N 3.47Å
812	H	58	Low	58.6	Low	129 Å²	129	62.6 Å²	62.6	60%	0.597	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	137.7	164.3	-164.5	-86.3	0	0	0	110	Y787	Y787-H812 PolarHBondContact O-N 3.47Å; Y787-H812 VanDerWaalsContact O-N 3.07Å
813	P	58.9	Low	59.1	Low	96 Å²	96	63.9 Å²	63.9	62%	0.623	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.2	7.2	9.2	38.9	-37.2	0	0	0	115.5	L815 P816	P813-L815 VanDerWaalsContact C-N 3.28Å; P813-L815 PolarHBondContact O-N 2.99Å; P813-P816 VanDerWaalsContact O-CD 3.25Å; P813-P816 WeakPolarHBondContact O-CD 3.48Å
814	L	59	Low	59.5	Low	83 Å²	83	60.3 Å²	60.3	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-74.1	-21.9	179.8	-64	173.7	0	0	0	112.8	K811 S817 I818	K811-L814 PolarHBondContact O-N 3.03Å; L814-S817 PolarHBondContact O-N 3.21Å; L814-I818 HydrophobicContact CB-CD1 3.86Å; L814-I818 WeakPolarHBondContact O-CD1 3.47Å; L814-I818 WeakPolarHBondContact O-CG1 3.41Å; L814-I818 PolarHBondContact O-N 3.44Å
815	L	62.3	Low	59.6	Low	7 Å²	7	58 Å²	58	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-54.2	-46.6	-174.6	-177.7	66	0	0	0	114.6	V786 L789 I810 K811 P813 I818 L819	V786-L815 HydrophobicContact CB-CD2 3.95Å; V786-L815 HydrophobicContact CG1-CD2 3.63Å; V786-L815 VanDerWaalsContact O-CD2 3.32Å; V786-L815 WeakPolarHBondContact O-CD2 3.44Å; L789-L815 HydrophobicContact CB-CD1 3.74Å; L789-L815 HydrophobicContact CD2-CD1 3.71Å; L789-L815 HydrophobicContact CG-CD1 4.4Å; I810-L815 HydrophobicContact CG2-CB 4.26Å; I810-L815 HydrophobicContact CG2-CD1 3.96Å; K811-L815 PolarHBondContact O-N 3.47Å; P813-L815 VanDerWaalsContact C-N 3.28Å; P813-L815 PolarHBondContact O-N 2.99Å; L815-I818 PolarHBondContact O-N 3.25Å; L815-L819 HydrophobicContact CD1-CD1 3.97Å; L815-L819 HydrophobicContact CD1-CG 4.18Å; L815-L819 HydrophobicContact CG-CD1 3.86Å; L815-L819 HydrophobicContact CG-CG 4.46Å; L815-L819 WeakPolarHBondContact O-CB 3.48Å; L815-L819 VanDerWaalsContact O-CG 3.31Å; L815-L819 WeakPolarHBondContact O-CG 3.13Å; L815-L819 PolarHBondContact O-N 3.48Å
816	P	61.2	Low	59.6	Low	58 Å²	58	57.6 Å²	57.6	38%	0.377	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-40	179.6	-20.3	35.1	0	0	0	113.1	P813 I818 L819 N820	P813-P816 VanDerWaalsContact O-CD 3.25Å; P813-P816 WeakPolarHBondContact O-CD 3.48Å; P816-I818 VanDerWaalsContact C-N 3.32Å; P816-I818 PolarHBondContact O-N 3.42Å; P816-L819 PolarHBondContact O-N 2.99Å; P816-N820 WeakPolarHBondContact O-CB 3.49Å; P816-N820 PolarHBondContact O-N 3.29Å
817	S	59.1	Low	59.7	Low	39 Å²	39	59.2 Å²	59.2	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-40.2	176.2	-54.6	0	0	0	0	111.6	L814 A821	L814-S817 PolarHBondContact O-N 3.21Å; S817-A821 PolarHBondContact O-N 2.98Å
818	I	59.8	Low	59.5	Low	24 Å²	24	61.1 Å²	61.1	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-72.3	-40.4	178.2	-66.1	161.9	0	0	0	111.4	M745 I810 L814 L815 P816 N820 A821 L822	M745-I818 HydrophobicContact CE-CB 4.2Å; M745-I818 HydrophobicContact CE-CG1 3.59Å; M745-I818 HydrophobicContact CE-CG2 4.42Å; M745-I818 HydrophobicContact SD-CG1 4.06Å; I810-I818 HydrophobicContact CB-CD1 4.33Å; I810-I818 HydrophobicContact CD1-CD1 3.9Å; I810-I818 HydrophobicContact CD1-CG2 4.03Å; I810-I818 HydrophobicContact CG1-CD1 3.83Å; I810-I818 HydrophobicContact CG2-CD1 3.53Å; L814-I818 HydrophobicContact CB-CD1 3.86Å; L814-I818 WeakPolarHBondContact O-CD1 3.47Å; L814-I818 WeakPolarHBondContact O-CG1 3.41Å; L814-I818 PolarHBondContact O-N 3.44Å; L815-I818 PolarHBondContact O-N 3.25Å; P816-I818 VanDerWaalsContact C-N 3.32Å; P816-I818 PolarHBondContact O-N 3.42Å; I818-N820 VanDerWaalsContact C-N 3.33Å; I818-N820 PolarHBondContact O-N 3.07Å; I818-A821 PolarHBondContact O-N 3.47Å; I818-L822 HydrophobicContact CG2-CD1 3.98Å; I818-L822 HydrophobicContact CG2-CG 4.4Å; I818-L822 WeakPolarHBondContact O-CB 3.43Å; I818-L822 VanDerWaalsContact O-CG 3.3Å; I818-L822 WeakPolarHBondContact O-CG 3.43Å; I818-L822 PolarHBondContact O-N 2.96Å
819	L	62.5	Low	59.3	Low	7 Å²	7	61.3 Å²	61.3	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-38.7	173.5	-74	167.9	0	0	0	111.9	L777 L780 Y781 L815 P816 N823	L777-L819 HydrophobicContact CD2-CD2 3.57Å; L780-L819 HydrophobicContact CB-CD1 4.21Å; L780-L819 HydrophobicContact CB-CD2 3.89Å; L780-L819 HydrophobicContact CD1-CD2 4.17Å; Y781-L819 HydrophobicContact CD2-CB 4.04Å; L815-L819 HydrophobicContact CD1-CD1 3.97Å; L815-L819 HydrophobicContact CD1-CG 4.18Å; L815-L819 HydrophobicContact CG-CD1 3.86Å; L815-L819 HydrophobicContact CG-CG 4.46Å; L815-L819 WeakPolarHBondContact O-CB 3.48Å; L815-L819 VanDerWaalsContact O-CG 3.31Å; L815-L819 WeakPolarHBondContact O-CG 3.13Å; L815-L819 PolarHBondContact O-N 3.48Å; P816-L819 PolarHBondContact O-N 2.99Å; L819-N823 VanDerWaalsContact O-CB 3.31Å; L819-N823 WeakPolarHBondContact O-CB 3.47Å; L819-N823 PolarHBondContact O-N 3.14Å
820	N	61.4	Low	58.9	Low	72 Å²	72	62 Å²	62	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-48.2	173.9	-172.9	34	0	0	0	111.8	P816 I818 L822 N823 Q824	P816-N820 WeakPolarHBondContact O-CB 3.49Å; P816-N820 PolarHBondContact O-N 3.29Å; I818-N820 VanDerWaalsContact C-N 3.33Å; I818-N820 PolarHBondContact O-N 3.07Å; N820-L822 PolarHBondContact O-N 3.4Å; N820-N823 PolarHBondContact O-N 3.34Å; N820-Q824 WeakPolarHBondContact O-CG 3.45Å; N820-Q824 PolarHBondContact O-N 2.81Å
821	A	57.9	Low	58.7	Low	5 Å²	5	67.6 Å²	67.6	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-38.9	177.5	0	0	0	0	0	112.8	F737 M745 S817 I818 Q824 T825	F737-A821 HydrophobicContact CD1-CB 4.39Å; F737-A821 HydrophobicContact CE1-CB 4.18Å; M745-A821 HydrophobicContact CB-CB 4.45Å; M745-A821 HydrophobicContact CE-CB 3.76Å; S817-A821 PolarHBondContact O-N 2.98Å; I818-A821 PolarHBondContact O-N 3.47Å; A821-Q824 PolarHBondContact O-N 3.07Å; A821-T825 WeakPolarHBondContact O-CB 3.37Å; A821-T825 PolarHBondContact O-N 3.17Å; A821-T825 PolarHBondContact O-OG1 2.93Å
822	L	59.5	Low	58.2	Low	39 Å²	39	65 Å²	65	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-42.7	173.1	-74.4	168.8	0	0	0	111.8	L777 F791 I818 N820 T825 L826	L777-L822 HydrophobicContact CD1-CB 4.38Å; L777-L822 HydrophobicContact CD2-CD1 4.1Å; F791-L822 HydrophobicContact CE1-CD1 4.29Å; F791-L822 HydrophobicContact CZ-CD1 4.26Å; I818-L822 HydrophobicContact CG2-CD1 3.98Å; I818-L822 HydrophobicContact CG2-CG 4.4Å; I818-L822 WeakPolarHBondContact O-CB 3.43Å; I818-L822 VanDerWaalsContact O-CG 3.3Å; I818-L822 WeakPolarHBondContact O-CG 3.43Å; I818-L822 PolarHBondContact O-N 2.96Å; N820-L822 PolarHBondContact O-N 3.4Å; L822-T825 PolarHBondContact O-N 3.02Å; L822-L826 WeakPolarHBondContact O-CB 3.29Å; L822-L826 WeakPolarHBondContact O-CG 3.46Å; L822-L826 PolarHBondContact O-N 2.87Å
823	N	60.1	Low	58	Low	67 Å²	67	60.6 Å²	60.6	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-41.6	177	-168.6	14.8	0	0	0	112	L819 N820 L826 Y827	L819-N823 VanDerWaalsContact O-CB 3.31Å; L819-N823 WeakPolarHBondContact O-CB 3.47Å; L819-N823 PolarHBondContact O-N 3.14Å; N820-N823 PolarHBondContact O-N 3.34Å; N823-L826 PolarHBondContact O-N 2.81Å; N823-Y827 PolarHBondContact O-N 2.9Å
824	Q	58.4	Low	57.8	Low	102 Å²	102	59.6 Å²	59.6	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-43.9	172.7	-70.9	178	0	0	0	112.3	N820 A821 L826 Y827 Y828	N820-Q824 WeakPolarHBondContact O-CG 3.45Å; N820-Q824 PolarHBondContact O-N 2.81Å; A821-Q824 PolarHBondContact O-N 3.07Å; Q824-L826 VanDerWaalsContact C-N 3.32Å; Q824-L826 PolarHBondContact O-N 3.11Å; Q824-Y827 WeakPolarHBondContact O-CB 3.2Å; Q824-Y827 PolarHBondContact O-N 2.68Å; Q824-Y828 PolarHBondContact O-N 3.09Å; Q824-Y828 VanDerWaalsContact O-N 3.09Å
825	T	55.3	Low	57.6	Low	12 Å²	12	61 Å²	61	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-44.2	176.6	-54.9	0	0	0	0	110.8	L735 A821 L822 Y828 E829	L735-T825 HydrophobicContact CD1-CG2 4.41Å; L735-T825 HydrophobicContact CD2-CG2 3.7Å; A821-T825 WeakPolarHBondContact O-CB 3.37Å; A821-T825 PolarHBondContact O-N 3.17Å; A821-T825 PolarHBondContact O-OG1 2.93Å; L822-T825 PolarHBondContact O-N 3.02Å; T825-Y828 WeakPolarHBondContact O-CB 3.25Å; T825-Y828 PolarHBondContact O-N 3.01Å; T825-Y828 VanDerWaalsContact O-N 3.17Å; T825-E829 PolarHBondContact O-N 2.8Å
826	L	56.8	Low	57.2	Low	9 Å²	9	60.9 Å²	60.9	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-67.6	-35.3	176.7	-78.8	167.7	0	0	0	113.2	Y770 L773 L777 L822 N823 Q824 Y828 E829 R830	Y770-L826 HydrophobicContact CD2-CD2 3.9Å; Y770-L826 HydrophobicContact CE2-CB 3.84Å; Y770-L826 HydrophobicContact CE2-CD2 3.87Å; Y770-L826 HydrophobicContact CE2-CG 4.43Å; Y770-L826 WeakPolarHBondContact CE2-O 3.45Å; L773-L826 HydrophobicContact CD2-CD1 3.98Å; L773-L826 HydrophobicContact CD2-CD2 3.71Å; L773-L826 HydrophobicContact CD2-CG 4.45Å; L773-L826 HydrophobicContact CG-CD1 3.96Å; L773-L826 HydrophobicContact CG-CD2 4.37Å; L777-L826 HydrophobicContact CD1-CD1 3.24Å; L822-L826 WeakPolarHBondContact O-CB 3.29Å; L822-L826 WeakPolarHBondContact O-CG 3.46Å; L822-L826 PolarHBondContact O-N 2.87Å; N823-L826 PolarHBondContact O-N 2.81Å; Q824-L826 VanDerWaalsContact C-N 3.32Å; Q824-L826 PolarHBondContact O-N 3.11Å; L826-Y828 PolarHBondContact O-N 2.87Å; L826-E829 PolarHBondContact O-N 3.3Å; L826-R830 WeakPolarHBondContact O-CB 3.38Å; L826-R830 PolarHBondContact O-N 3.22Å
827	Y	54	Low	57	Low	159 Å²	159	59.2 Å²	59.2	62%	0.624	27%	0.27	S	S	*	.	H	α-helix	trans	-60.8	-37.8	171.3	-172.5	-91	0	0	0	111.5	N823 Q824 Y831	N823-Y827 PolarHBondContact O-N 2.9Å; Q824-Y827 WeakPolarHBondContact O-CB 3.2Å; Q824-Y827 PolarHBondContact O-N 2.68Å; Y827-Y831 PolarHBondContact O-N 2.78Å; Y827-Y831 VanDerWaalsContact O-N 3.1Å
828	Y	55.5	Low	56.9	Low	112 Å²	112	61.9 Å²	61.9	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-70.8	-45	175.6	-166.3	-92.3	0	0	0	112.9	Q824 T825 L826 R830 Y831 L832	Q824-Y828 PolarHBondContact O-N 3.09Å; Q824-Y828 VanDerWaalsContact O-N 3.09Å; T825-Y828 WeakPolarHBondContact O-CB 3.25Å; T825-Y828 PolarHBondContact O-N 3.01Å; T825-Y828 VanDerWaalsContact O-N 3.17Å; L826-Y828 PolarHBondContact O-N 2.87Å; Y828-R830 VanDerWaalsContact C-N 3.32Å; Y828-R830 PolarHBondContact O-N 3.42Å; Y828-Y831 WeakPolarHBondContact O-CB 3.28Å; Y828-Y831 PolarHBondContact O-N 3.19Å; Y828-Y831 VanDerWaalsContact O-N 3.08Å; Y828-L832 HydrophobicContact CD1-CD1 3.98Å; Y828-L832 HydrophobicContact CD1-CG 4.16Å; Y828-L832 HydrophobicContact CE1-CD1 3.75Å; Y828-L832 HydrophobicContact CE1-CD2 4.29Å; Y828-L832 HydrophobicContact CE1-CG 4Å; Y828-L832 PolarHBondContact O-N 3.01Å
829	E	54.1	Low	56.9	Low	63 Å²	63	64.2 Å²	64.2	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-42.8	173.7	-74.2	-170.5	164	0	0	111.9	T825 L826 Y831 L832 I833	T825-E829 PolarHBondContact O-N 2.8Å; L826-E829 PolarHBondContact O-N 3.3Å; E829-Y831 VanDerWaalsContact C-N 3.29Å; E829-Y831 PolarHBondContact O-N 2.68Å; E829-L832 PolarHBondContact O-N 3.36Å; E829-I833 WeakPolarHBondContact O-CB 3.34Å; E829-I833 VanDerWaalsContact O-CG1 3.31Å; E829-I833 WeakPolarHBondContact O-CG1 3.36Å; E829-I833 PolarHBondContact O-N 3.36Å
830	R	56.1	Low	56.5	Low	89 Å²	89	66.5 Å²	66.5	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-39.7	173.5	177.1	-178.8	169.8	-175.3	-4.5	112.2	Y770 L826 Y828 Y834 Y872	Y770-R830 HydrophobicContact CE1-CB 4.11Å; Y770-R830 HydrophobicContact CE1-CG 4.11Å; Y770-R830 HydrophobicContact CE2-CB 3.82Å; Y770-R830 WeakPolarHBondContact OH-CD 3.46Å; L826-R830 WeakPolarHBondContact O-CB 3.38Å; L826-R830 PolarHBondContact O-N 3.22Å; Y828-R830 VanDerWaalsContact C-N 3.32Å; Y828-R830 PolarHBondContact O-N 3.42Å; R830-Y834 WeakPolarHBondContact O-CB 3.46Å; R830-Y834 PolarHBondContact O-N 2.77Å; R830-Y872 PolarHBondContact NH2-OH 2.79Å
831	Y	58.8	Low	56.2	Low	135 Å²	135	69 Å²	69	53%	0.529	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-42.1	176	172.8	-105.1	0	0	0	111.6	Y827 Y828 E829 Y834 K835	Y827-Y831 PolarHBondContact O-N 2.78Å; Y827-Y831 VanDerWaalsContact O-N 3.1Å; Y828-Y831 WeakPolarHBondContact O-CB 3.28Å; Y828-Y831 PolarHBondContact O-N 3.19Å; Y828-Y831 VanDerWaalsContact O-N 3.08Å; E829-Y831 VanDerWaalsContact C-N 3.29Å; E829-Y831 PolarHBondContact O-N 2.68Å; Y831-Y834 PolarHBondContact O-N 3.14Å; Y831-K835 VanDerWaalsContact O-CB 3.31Å; Y831-K835 WeakPolarHBondContact O-CB 3.45Å; Y831-K835 PolarHBondContact O-N 3.07Å
832	L	54	Low	56.1	Low	59 Å²	59	76.9 Å²	76.9	31%	0.309	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-47.6	173.9	-67.4	-178.8	0	0	0	112.4	L757 Y828 E829 Y834 K835 A836	L757-L832 HydrophobicContact CD1-CB 4.33Å; Y828-L832 HydrophobicContact CD1-CD1 3.98Å; Y828-L832 HydrophobicContact CD1-CG 4.16Å; Y828-L832 HydrophobicContact CE1-CD1 3.75Å; Y828-L832 HydrophobicContact CE1-CD2 4.29Å; Y828-L832 HydrophobicContact CE1-CG 4Å; Y828-L832 PolarHBondContact O-N 3.01Å; E829-L832 PolarHBondContact O-N 3.36Å; L832-Y834 VanDerWaalsContact C-N 3.33Å; L832-Y834 PolarHBondContact O-N 2.84Å; L832-K835 PolarHBondContact O-N 3.07Å; L832-A836 WeakPolarHBondContact O-CB 3.39Å; L832-A836 PolarHBondContact O-N 3.21Å
833	I	53.5	Low	56	Low	36 Å²	36	79.6 Å²	79.6	19%	0.185	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-45.3	176.4	-68.3	164.7	0	0	0	110.3	E829 A836 I837	E829-I833 WeakPolarHBondContact O-CB 3.34Å; E829-I833 VanDerWaalsContact O-CG1 3.31Å; E829-I833 WeakPolarHBondContact O-CG1 3.36Å; E829-I833 PolarHBondContact O-N 3.36Å; I833-A836 PolarHBondContact O-N 3.47Å; I833-I837 HydrophobicContact CG2-CD1 3.76Å; I833-I837 HydrophobicContact CG2-CG1 4.48Å; I833-I837 WeakPolarHBondContact O-CB 3.41Å; I833-I837 VanDerWaalsContact O-CG1 3.29Å; I833-I837 WeakPolarHBondContact O-CG1 3.38Å; I833-I837 PolarHBondContact O-N 3.29Å
834	Y	53.8	Low	55.6	Low	75 Å²	75	79.3 Å²	79.3	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-42.4	178.1	-173.2	-99.2	0	0	0	112.1	R830 Y831 L832 A836 I837 Q838	R830-Y834 WeakPolarHBondContact O-CB 3.46Å; R830-Y834 PolarHBondContact O-N 2.77Å; Y831-Y834 PolarHBondContact O-N 3.14Å; L832-Y834 VanDerWaalsContact C-N 3.33Å; L832-Y834 PolarHBondContact O-N 2.84Å; Y834-A836 VanDerWaalsContact C-N 3.34Å; Y834-A836 PolarHBondContact O-N 2.81Å; Y834-I837 PolarHBondContact O-N 2.8Å; Y834-Q838 HydrophobicContact CD1-CG 4.2Å; Y834-Q838 HydrophobicContact CE1-CG 3.87Å; Y834-Q838 WeakPolarHBondContact O-CB 3.34Å; Y834-Q838 WeakPolarHBondContact O-CG 3.36Å; Y834-Q838 PolarHBondContact O-N 3.19Å
835	K	56.2	Low	55.4	Low	112 Å²	112	77.7 Å²	77.7	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-41	174.8	-174.1	-175.7	176.2	-168.2	0	111.7	Y831 L832 Q838 Q839	Y831-K835 VanDerWaalsContact O-CB 3.31Å; Y831-K835 WeakPolarHBondContact O-CB 3.45Å; Y831-K835 PolarHBondContact O-N 3.07Å; L832-K835 PolarHBondContact O-N 3.07Å; K835-Q838 PolarHBondContact O-N 2.88Å; K835-Q839 WeakPolarHBondContact O-CB 3.41Å; K835-Q839 PolarHBondContact O-N 3.13Å
836	A	52.7	Low	55.2	Low	5 Å²	5	82.9 Å²	82.9	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-44	177.5	0	0	0	0	0	111.9	L757 V759 L832 I833 Y834 Q838 Q839 V840	L757-A836 HydrophobicContact CB-CB 4.01Å; L757-A836 HydrophobicContact CD1-CB 4.25Å; L757-A836 HydrophobicContact CD2-CB 4.28Å; L757-A836 HydrophobicContact CG-CB 4.41Å; V759-A836 HydrophobicContact CG2-CB 3.52Å; L832-A836 WeakPolarHBondContact O-CB 3.39Å; L832-A836 PolarHBondContact O-N 3.21Å; I833-A836 PolarHBondContact O-N 3.47Å; Y834-A836 VanDerWaalsContact C-N 3.34Å; Y834-A836 PolarHBondContact O-N 2.81Å; A836-Q838 VanDerWaalsContact C-N 3.32Å; A836-Q838 PolarHBondContact O-N 2.92Å; A836-Q839 PolarHBondContact O-N 3.3Å; A836-Q839 VanDerWaalsContact O-N 3.12Å; A836-V840 PolarHBondContact O-N 2.93Å
837	I	56.6	Low	54.9	Low	23 Å²	23	87.4 Å²	87.4	12%	0.118	39%	0.392	C	S	.	.	H	α-helix	trans	-60.7	-41.2	172.4	-69.8	168	0	0	0	110.9	I833 Y834 Q839 V840 Y841	I833-I837 HydrophobicContact CG2-CD1 3.76Å; I833-I837 HydrophobicContact CG2-CG1 4.48Å; I833-I837 WeakPolarHBondContact O-CB 3.41Å; I833-I837 VanDerWaalsContact O-CG1 3.29Å; I833-I837 WeakPolarHBondContact O-CG1 3.38Å; I833-I837 PolarHBondContact O-N 3.29Å; Y834-I837 PolarHBondContact O-N 2.8Å; I837-Q839 VanDerWaalsContact C-N 3.34Å; I837-V840 PolarHBondContact O-N 2.89Å; I837-Y841 WeakPolarHBondContact O-CB 3.36Å; I837-Y841 PolarHBondContact O-N 3.33Å
838	Q	58.7	Low	54.3	Low	94 Å²	94	86.2 Å²	86.2	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-37.3	173.4	-76.5	-169.9	-56.9	0	0	112.5	Y834 K835 A836 Y841 Y842	Y834-Q838 HydrophobicContact CD1-CG 4.2Å; Y834-Q838 HydrophobicContact CE1-CG 3.87Å; Y834-Q838 WeakPolarHBondContact O-CB 3.34Å; Y834-Q838 WeakPolarHBondContact O-CG 3.36Å; Y834-Q838 PolarHBondContact O-N 3.19Å; K835-Q838 PolarHBondContact O-N 2.88Å; A836-Q838 VanDerWaalsContact C-N 3.32Å; A836-Q838 PolarHBondContact O-N 2.92Å; Q838-Y841 PolarHBondContact O-N 3.12Å; Q838-Y842 WeakPolarHBondContact O-CB 3.46Å; Q838-Y842 PolarHBondContact O-N 3.39Å
839	Q	58.9	Low	53.8	Low	73 Å²	73	87.4 Å²	87.4	34%	0.341	40%	0.397	S	S	.	.	H	α-helix	trans	-66.9	-45	177.2	-177.1	164.7	-19.4	0	0	111.6	K835 A836 I837 Y841 Y842 E843	K835-Q839 WeakPolarHBondContact O-CB 3.41Å; K835-Q839 PolarHBondContact O-N 3.13Å; A836-Q839 PolarHBondContact O-N 3.3Å; A836-Q839 VanDerWaalsContact O-N 3.12Å; I837-Q839 VanDerWaalsContact C-N 3.34Å; Q839-Y841 VanDerWaalsContact C-N 3.33Å; Q839-Y841 PolarHBondContact O-N 3.38Å; Q839-Y842 PolarHBondContact O-N 3.35Å; Q839-Y842 VanDerWaalsContact O-N 3.13Å; Q839-E843 HydrophobicContact CG-CG 4.39Å; Q839-E843 WeakPolarHBondContact CG-OE1 3.29Å; Q839-E843 PolarHBondContact NE2-OE1 2.98Å; Q839-E843 WeakPolarHBondContact O-CB 3.43Å; Q839-E843 WeakPolarHBondContact O-CG 3.31Å; Q839-E843 PolarHBondContact O-N 2.93Å
840	V	54.8	Low	53.4	Low	56 Å²	56	90.7 Å²	90.7	34%	0.339	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-39.1	170.9	160.8	0	0	0	0	112.3	V759 A836 I837 Y842 E843 S844	V759-V840 HydrophobicContact CB-CG2 3.42Å; V759-V840 VanDerWaalsContact CB-CG2 3.42Å; V759-V840 HydrophobicContact CG1-CB 4.29Å; V759-V840 HydrophobicContact CG1-CG2 3.58Å; V759-V840 HydrophobicContact CG2-CG2 3.87Å; A836-V840 PolarHBondContact O-N 2.93Å; I837-V840 PolarHBondContact O-N 2.89Å; V840-Y842 PolarHBondContact O-N 3.46Å; V840-E843 PolarHBondContact O-N 3.39Å; V840-S844 VanDerWaalsContact O-CB 3.23Å; V840-S844 WeakPolarHBondContact O-CB 3.26Å; V840-S844 PolarHBondContact O-N 3.12Å; V840-S844 PolarHBondContact O-OG 3.39Å
841	Y	53.4	Low	52.9	Low	123 Å²	123	92.2 Å²	92.2	48%	0.482	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-36.1	175.1	-171.5	-105.9	0	0	0	111.5	I837 Q838 Q839 S844 L845	I837-Y841 WeakPolarHBondContact O-CB 3.36Å; I837-Y841 PolarHBondContact O-N 3.33Å; Q838-Y841 PolarHBondContact O-N 3.12Å; Q839-Y841 VanDerWaalsContact C-N 3.33Å; Q839-Y841 PolarHBondContact O-N 3.38Å; Y841-S844 PolarHBondContact O-OG 2.71Å; Y841-L845 HydrophobicContact CD1-CD1 3.81Å; Y841-L845 HydrophobicContact CE1-CD1 3.44Å; Y841-L845 VanDerWaalsContact CE1-CD1 3.44Å; Y841-L845 HydrophobicContact CE1-CG 4.36Å; Y841-L845 VanDerWaalsContact O-CB 3.24Å; Y841-L845 WeakPolarHBondContact O-CB 3.22Å; Y841-L845 WeakPolarHBondContact O-CG 3.4Å; Y841-L845 PolarHBondContact O-N 3.18Å
842	Y	56.2	Low	52.1	Low	172 Å²	172	90 Å²	90	68%	0.675	43%	0.425	S	S	*	.	H	α-helix	trans	-74.6	-42.9	176.4	-163.1	-95.6	0	0	0	113.1	Q838 Q839 V840 L845 K846	Q838-Y842 WeakPolarHBondContact O-CB 3.46Å; Q838-Y842 PolarHBondContact O-N 3.39Å; Q839-Y842 PolarHBondContact O-N 3.35Å; Q839-Y842 VanDerWaalsContact O-N 3.13Å; V840-Y842 PolarHBondContact O-N 3.46Å; Y842-L845 PolarHBondContact O-N 2.74Å; Y842-K846 WeakPolarHBondContact O-CB 3.32Å; Y842-K846 PolarHBondContact O-N 2.75Å
843	E	57.8	Low	51.4	Low	96 Å²	96	93.2 Å²	93.2	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-68.8	-40.1	178.1	-72.2	170.7	-170	0	0	111.9	Q839 V840 K846 N847	Q839-E843 HydrophobicContact CG-CG 4.39Å; Q839-E843 WeakPolarHBondContact CG-OE1 3.29Å; Q839-E843 PolarHBondContact NE2-OE1 2.98Å; Q839-E843 WeakPolarHBondContact O-CB 3.43Å; Q839-E843 WeakPolarHBondContact O-CG 3.31Å; Q839-E843 PolarHBondContact O-N 2.93Å; V840-E843 PolarHBondContact O-N 3.39Å; E843-K846 PolarHBondContact O-N 2.84Å; E843-N847 PolarHBondContact O-N 2.82Å
844	S	51.8	Low	50.7	Low	60 Å²	60	98.8 Å²	98.8	42%	0.42	48%	0.476	S	S	.	.	H	α-helix	trans	-67	-40	172.1	59.4	0	0	0	0	112.2	V840 Y841 K846 N847 Y848	V840-S844 VanDerWaalsContact O-CB 3.23Å; V840-S844 WeakPolarHBondContact O-CB 3.26Å; V840-S844 PolarHBondContact O-N 3.12Å; V840-S844 PolarHBondContact O-OG 3.39Å; Y841-S844 PolarHBondContact O-OG 2.71Å; S844-K846 VanDerWaalsContact C-N 3.32Å; S844-K846 PolarHBondContact O-N 2.79Å; S844-N847 PolarHBondContact O-N 2.93Å; S844-Y848 WeakPolarHBondContact O-CB 3.09Å; S844-Y848 PolarHBondContact O-N 3.47Å
845	L	54.4	Low	49.8	Very low	68 Å²	68	101.6 Å²	101.6	36%	0.356	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-38.3	170.1	-83.9	172.9	0	0	0	112.4	Y841 Y842 Y848 Q849	Y841-L845 HydrophobicContact CD1-CD1 3.81Å; Y841-L845 HydrophobicContact CE1-CD1 3.44Å; Y841-L845 VanDerWaalsContact CE1-CD1 3.44Å; Y841-L845 HydrophobicContact CE1-CG 4.36Å; Y841-L845 VanDerWaalsContact O-CB 3.24Å; Y841-L845 WeakPolarHBondContact O-CB 3.22Å; Y841-L845 WeakPolarHBondContact O-CG 3.4Å; Y841-L845 PolarHBondContact O-N 3.18Å; Y842-L845 PolarHBondContact O-N 2.74Å; L845-Y848 CarbonylContact O-C 3.54Å; L845-Y848 WeakPolarHBondContact O-CB 3.47Å; L845-Y848 PolarHBondContact O-N 3.11Å; L845-Q849 WeakPolarHBondContact O-CB 3.4Å; L845-Q849 WeakPolarHBondContact O-CG 3.37Å; L845-Q849 PolarHBondContact O-N 3.38Å
846	K	51.2	Low	48.5	Very low	122 Å²	122	101.7 Å²	101.7	53%	0.53	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-44.1	178.5	-165.9	178.5	179.6	-174.6	0	111.6	Y842 E843 S844 Y848 Q849 Q850	Y842-K846 WeakPolarHBondContact O-CB 3.32Å; Y842-K846 PolarHBondContact O-N 2.75Å; E843-K846 PolarHBondContact O-N 2.84Å; S844-K846 VanDerWaalsContact C-N 3.32Å; S844-K846 PolarHBondContact O-N 2.79Å; K846-Y848 VanDerWaalsContact C-N 3.29Å; K846-Y848 PolarHBondContact O-N 3.12Å; K846-Q849 PolarHBondContact O-N 2.81Å; K846-Q850 PolarHBondContact O-N 2.9Å
847	N	49.5	Very low	47.6	Very low	103 Å²	103	105.9 Å²	105.9	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-62.2	-36.1	169.7	-81.4	-11.9	0	0	0	112	E843 S844 N851	E843-N847 PolarHBondContact O-N 2.82Å; S844-N847 PolarHBondContact O-N 2.93Å; N847-N851 WeakPolarHBondContact O-CB 3Å; N847-N851 PolarHBondContact O-N 2.99Å; N847-N851 VanDerWaalsContact O-N 3.1Å; N847-N851 PolarHBondContact O-ND2 2.88Å
848	Y	42.7	Very low	46.4	Very low	135 Å²	135	114.8 Å²	114.8	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-37.7	176	-155.8	-89.8	0	0	0	112.1	S844 L845 K846 N851 L852	S844-Y848 WeakPolarHBondContact O-CB 3.09Å; S844-Y848 PolarHBondContact O-N 3.47Å; L845-Y848 CarbonylContact O-C 3.54Å; L845-Y848 WeakPolarHBondContact O-CB 3.47Å; L845-Y848 PolarHBondContact O-N 3.11Å; K846-Y848 VanDerWaalsContact C-N 3.29Å; K846-Y848 PolarHBondContact O-N 3.12Å; Y848-N851 PolarHBondContact O-N 2.76Å; Y848-L852 HydrophobicContact CD1-CD1 3.76Å; Y848-L852 HydrophobicContact CD1-CG 4.27Å; Y848-L852 HydrophobicContact CE1-CD1 4.03Å; Y848-L852 HydrophobicContact CE1-CG 4.35Å; Y848-L852 WeakPolarHBondContact O-CB 3.28Å; Y848-L852 WeakPolarHBondContact O-CG 3.42Å; Y848-L852 PolarHBondContact O-N 2.82Å
849	Q	43.9	Very low	44.9	Very low	137 Å²	137	118.6 Å²	118.6	64%	0.64	58%	0.581	S	S	*	*	H	α-helix	trans	-71.6	-35.4	175.5	-75.9	-175.2	-49	0	0	113	L845 K846 N851 L852	L845-Q849 WeakPolarHBondContact O-CB 3.4Å; L845-Q849 WeakPolarHBondContact O-CG 3.37Å; L845-Q849 PolarHBondContact O-N 3.38Å; K846-Q849 PolarHBondContact O-N 2.81Å; Q849-N851 VanDerWaalsContact C-N 3.31Å; Q849-L852 PolarHBondContact O-N 2.75Å
850	Q	45.5	Very low	43.6	Very low	131 Å²	131	122.3 Å²	122.3	61%	0.612	60%	0.596	S	S	*	*	H	α-helix	trans	-71.8	-24.6	173.4	-69.3	-172.7	-99	0	0	112.9	K846	K846-Q850 PolarHBondContact O-N 2.9Å
851	N	46.3	Very low	42.4	Very low	122 Å²	122	127.5 Å²	127.5	65%	0.652	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-5.4	171.6	-72.7	-38.1	0	0	0	113.9	N847 Y848 Q849 T853	N847-N851 WeakPolarHBondContact O-CB 3Å; N847-N851 PolarHBondContact O-N 2.99Å; N847-N851 VanDerWaalsContact O-N 3.1Å; N847-N851 PolarHBondContact O-ND2 2.88Å; Y848-N851 PolarHBondContact O-N 2.76Å; Q849-N851 VanDerWaalsContact C-N 3.31Å; N851-T853 PolarHBondContact O-N 2.96Å
852	L	42.3	Very low	41.3	Very low	89 Å²	89	130.3 Å²	130.3	47%	0.466	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-7.1	-174	-104.4	164.9	0	0	0	114.7	Y848 Q849	Y848-L852 HydrophobicContact CD1-CD1 3.76Å; Y848-L852 HydrophobicContact CD1-CG 4.27Å; Y848-L852 HydrophobicContact CE1-CD1 4.03Å; Y848-L852 HydrophobicContact CE1-CG 4.35Å; Y848-L852 WeakPolarHBondContact O-CB 3.28Å; Y848-L852 WeakPolarHBondContact O-CG 3.42Å; Y848-L852 PolarHBondContact O-N 2.82Å; Q849-L852 PolarHBondContact O-N 2.75Å
853	T	39.3	Very low	40	Very low	126 Å²	126	130.9 Å²	130.9	77%	0.773	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-4.6	171.5	46.9	0	0	0	0	113.6	N851	N851-T853 PolarHBondContact O-N 2.96Å
854	L	37.7	Very low	38.6	Very low	153 Å²	153	132 Å²	132	80%	0.801	65%	0.651	S	S	*	*	S	Bend	trans	-114	77.8	179.9	-135.2	79.2	0	0	0	113.3
855	N	35	Very low	37.6	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	66%	0.661	S	S	*	*			trans	68.2	103	157.4	-142.9	-35.6	0	0	0	118.9	N857	N855-N857 PolarHBondContact O-N 3.11Å
856	N	29.9	Very low	36.3	Very low	113 Å²	113	136.6 Å²	136.6	60%	0.604	68%	0.679	S	S	*	*			trans	-62.7	88.8	179.8	-78	-48.5	0	0	0	114.9
857	N	33.8	Very low	35.2	Very low	94 Å²	94	138.4 Å²	138.4	50%	0.503	68%	0.684	S	S	.	*			trans	-151	29.1	176.5	-101.8	-55.9	0	0	0	121	K32 N855	K32-N857 WeakPolarHBondContact CE-ND2 3.21Å; K32-N857 WeakPolarHBondContact CE-OD1 3.26Å; K32-N857 PolarHBondContact NZ-OD1 2.85Å; N855-N857 PolarHBondContact O-N 3.11Å
858	K	31.4	Very low	34.2	Very low	209 Å²	209	138 Å²	138	91%	0.909	68%	0.681	S	S	*	*			trans	-155.3	35.7	166.6	-118.1	159	-168.7	176	0	118.5	K860	K858-K860 PolarHBondContact O-N 3.11Å
859	M	27.8	Very low	33.5	Very low	174 Å²	174	134.4 Å²	134.4	86%	0.857	68%	0.675	S	S	*	*			trans	-73.4	84.6	175.4	-167.7	-164.8	-76.4	0	0	112.8
860	K	30.5	Very low	32.8	Very low	151 Å²	151	132.2 Å²	132.2	66%	0.657	68%	0.676	S	S	*	*			trans	-169.3	93.7	165.4	-110.4	166.2	-172.9	169.3	0	111.4	K858 M941	K858-K860 PolarHBondContact O-N 3.11Å; K860-M941 HydrophobicContact CD-CE 4.43Å
861	I	30.8	Very low	32.1	Very low	166 Å²	166	133.3 Å²	133.3	85%	0.851	68%	0.675	S	S	*	*	S	Bend	trans	-179.9	-28.7	152.8	-100.7	155.8	0	0	0	111.5	K863	I861-K863 VanDerWaalsContact C-N 3.32Å; I861-K863 PolarHBondContact O-N 2.72Å
862	F	29.5	Very low	31.2	Very low	181 Å²	181	135.6 Å²	135.6	79%	0.794	68%	0.676	S	S	*	*			trans	-67.1	86.1	169	-91.5	-84.8	0	0	0	111.6
863	K	28.7	Very low	30.7	Very low	184 Å²	184	139.2 Å²	139.2	80%	0.8	69%	0.694	S	S	*	*			trans	-147.7	19.9	170.5	-136	-178.6	-175.5	-174.9	0	115.1	I861	I861-K863 VanDerWaalsContact C-N 3.32Å; I861-K863 PolarHBondContact O-N 2.72Å
864	N	28.8	Very low	30.3	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	68%	0.683	S	S	*	*	S	Bend	trans	-131.4	13	-180	-114.7	9.7	0	0	0	114.4	Y963	N864-Y963 PolarHBondContact ND2-OH 3.35Å; N864-Y963 PolarHBondContact OD1-OH 3.45Å; N864-Y963 VanDerWaalsContact OD1-OH 3.12Å
865	T	30.3	Very low	30.1	Very low	104 Å²	104	132.3 Å²	132.3	64%	0.638	66%	0.657	S	S	*	*			trans	-130	30.2	-178	51.3	0	0	0	0	113.3	Y867	T865-Y867 PolarHBondContact O-N 3.3Å
866	T	27.8	Very low	30	Very low	119 Å²	119	135.8 Å²	135.8	73%	0.73	67%	0.665	S	S	*	*			trans	-101.1	55.7	179.1	52.6	0	0	0	0	112
867	Y	28.6	Very low	30.5	Very low	161 Å²	161	138 Å²	138	63%	0.631	67%	0.672	S	S	*	*			trans	-140.7	29.5	-169.1	-114.3	-72.8	0	0	0	116.2	T865 E964	T865-Y867 PolarHBondContact O-N 3.3Å; Y867-E964 VanDerWaalsContact CE2-OE1 3.3Å; Y867-E964 WeakPolarHBondContact CE2-OE1 3.31Å; Y867-E964 PolarHBondContact OH-OE2 3.46Å
868	L	28.3	Very low	31.1	Very low	95 Å²	95	137.2 Å²	137.2	50%	0.497	67%	0.667	S	S	.	*	S	Bend	trans	-151.5	24.3	177.6	-117.4	161.3	0	0	0	118.1	F764	F764-L868 HydrophobicContact CE1-CD1 4.38Å
869	S	26.8	Very low	31.4	Very low	58 Å²	58	133.8 Å²	133.8	41%	0.406	65%	0.652	S	S	.	*	S	Bend	trans	-147.1	47.9	-177.3	54.4	0	0	0	0	116.8
870	S	29.1	Very low	32.4	Very low	92 Å²	92	128.9 Å²	128.9	64%	0.643	64%	0.635	S	S	*	*	S	Bend	trans	-158.8	-16	170.6	63.1	0	0	0	0	117.8	Y872	S870-Y872 VanDerWaalsContact C-N 3.33Å; S870-Y872 PolarHBondContact O-N 2.86Å
871	Y	30.7	Very low	33.1	Very low	153 Å²	153	130 Å²	130	60%	0.6	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-0	-150.3	-161.4	-103.6	0	0	0	118.2	N875	Y871-N875 VanDerWaalsContact CE2-ND2 3.27Å; Y871-N875 WeakPolarHBondContact CE2-ND2 3.32Å; Y871-N875 VanDerWaalsContact CZ-ND2 3.26Å; Y871-N875 PolarHBondContact OH-ND2 2.87Å
872	Y	29.3	Very low	34	Very low	170 Å²	170	128.4 Å²	128.4	67%	0.667	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-2.2	-165.8	-106.6	-91.8	0	0	0	118.4	R830 S870	R830-Y872 PolarHBondContact NH2-OH 2.79Å; S870-Y872 VanDerWaalsContact C-N 3.33Å; S870-Y872 PolarHBondContact O-N 2.86Å
873	I	30.8	Very low	35.3	Very low	165 Å²	165	128 Å²	128	85%	0.846	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-21.6	-174.7	-66.6	-178.5	0	0	0	114.7
874	T	31.2	Very low	37.2	Very low	88 Å²	88	124.5 Å²	124.5	54%	0.54	60%	0.603	S	S	.	*	S	Bend	trans	-115.2	-4.4	-172.9	52.4	0	0	0	0	115.7	K876	T874-K876 VanDerWaalsContact C-N 3.26Å; T874-K876 PolarHBondContact O-N 2.88Å
875	N	32.5	Very low	39.1	Very low	47 Å²	47	126.7 Å²	126.7	25%	0.251	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	34.8	-162.3	-154.6	-0.6	0	0	0	116.1	Y871	Y871-N875 VanDerWaalsContact CE2-ND2 3.27Å; Y871-N875 WeakPolarHBondContact CE2-ND2 3.32Å; Y871-N875 VanDerWaalsContact CZ-ND2 3.26Å; Y871-N875 PolarHBondContact OH-ND2 2.87Å
876	K	34	Very low	41.1	Very low	207 Å²	207	124.8 Å²	124.8	90%	0.9	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-14.6	168	-157.1	172.6	-178.1	-179.5	0	113.4	T874	T874-K876 VanDerWaalsContact C-N 3.26Å; T874-K876 PolarHBondContact O-N 2.88Å
877	Q	40.3	Very low	43.3	Very low	160 Å²	160	123.6 Å²	123.6	75%	0.748	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-14.4	175.7	-72.6	-177.6	-22.7	0	0	114.3	S880	Q877-S880 PolarHBondContact O-OG 2.88Å
878	I	45	Very low	45.4	Very low	76 Å²	76	118.1 Å²	118.1	39%	0.39	57%	0.567	S	S	.	*	H	α-helix	trans	-78.1	-27.5	-175.2	-64.4	170.6	0	0	0	112.4	S880 Y881 W882	I878-S880 VanDerWaalsContact C-N 3.32Å; I878-S880 PolarHBondContact O-N 2.87Å; I878-Y881 PolarHBondContact O-N 2.81Å; I878-W882 PolarHBondContact O-N 3.34Å
879	K	39.1	Very low	47.7	Very low	137 Å²	137	119.4 Å²	119.4	60%	0.596	57%	0.568	S	S	*	*	H	α-helix	trans	-63.1	-29.7	-178.1	-72.2	-168.5	174	-172.1	0	114.5	Y883	K879-Y883 PolarHBondContact O-N 2.73Å
880	S	48.9	Very low	50.1	Low	71 Å²	71	119.2 Å²	119.2	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-73.2	-42.2	175	47.7	0	0	0	0	112	Q877 I878 Y883 I884	Q877-S880 PolarHBondContact O-OG 2.88Å; I878-S880 VanDerWaalsContact C-N 3.32Å; I878-S880 PolarHBondContact O-N 2.87Å; S880-Y883 WeakPolarHBondContact O-CB 3.41Å; S880-Y883 PolarHBondContact O-N 2.88Å; S880-I884 PolarHBondContact O-N 2.82Å
881	Y	44.4	Very low	52.5	Low	176 Å²	176	118 Å²	118	69%	0.69	56%	0.556	S	S	*	*	H	α-helix	trans	-64	-39.9	176.3	-88.9	-85.2	0	0	0	112.7	I878 Y883 I884 Y885	I878-Y881 PolarHBondContact O-N 2.81Å; Y881-Y883 VanDerWaalsContact C-N 3.29Å; Y881-Y883 PolarHBondContact O-N 2.98Å; Y881-I884 PolarHBondContact O-N 2.92Å; Y881-Y885 PolarHBondContact O-N 2.81Å
882	W	50.5	Low	54.7	Low	131 Å²	131	115.1 Å²	115.1	50%	0.496	55%	0.55	S	S	.	*	H	α-helix	trans	-59.3	-39.2	173.6	-110.1	76.1	0	0	0	112.5	I878 Y885 C886 S965	I878-W882 PolarHBondContact O-N 3.34Å; W882-Y885 PolarHBondContact O-N 3.1Å; W882-C886 PolarHBondContact O-N 3.03Å; W882-C886 PolarHBondContact O-SG 3.41Å; W882-S965 WeakPolarHBondContact CH2-OG 3.27Å; W882-S965 WeakPolarHBondContact CZ3-OG 3.36Å
883	Y	57.2	Low	57	Low	174 Å²	174	110 Å²	110	68%	0.682	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-43.3	179	-148.6	-94.1	0	0	0	112	K879 S880 Y881 Y885 C886 I887	K879-Y883 PolarHBondContact O-N 2.73Å; S880-Y883 WeakPolarHBondContact O-CB 3.41Å; S880-Y883 PolarHBondContact O-N 2.88Å; Y881-Y883 VanDerWaalsContact C-N 3.29Å; Y881-Y883 PolarHBondContact O-N 2.98Å; Y883-Y885 VanDerWaalsContact C-N 3.35Å; Y883-Y885 PolarHBondContact O-N 2.82Å; Y883-C886 PolarHBondContact O-N 2.71Å; Y883-I887 HydrophobicContact CD1-CD1 3.81Å; Y883-I887 HydrophobicContact CE1-CD1 3.99Å; Y883-I887 WeakPolarHBondContact O-CG1 3.33Å; Y883-I887 PolarHBondContact O-N 2.97Å; Y883-I887 VanDerWaalsContact O-N 3.17Å
884	I	67.8	Low	59.4	Low	109 Å²	109	106.7 Å²	106.7	56%	0.559	52%	0.517	S	S	*	.	H	α-helix	trans	-62.7	-42.3	174.8	-63.3	169.4	0	0	0	110.6	S880 Y881 C886 I887 S888	S880-I884 PolarHBondContact O-N 2.82Å; Y881-I884 PolarHBondContact O-N 2.92Å; I884-C886 PolarHBondContact O-N 2.73Å; I884-I887 PolarHBondContact O-N 3.39Å; I884-S888 PolarHBondContact O-N 2.79Å; I884-S888 PolarHBondContact O-OG 3.44Å
885	Y	68.7	Low	61.8	Low	168 Å²	168	107.1 Å²	107.1	66%	0.659	52%	0.515	S	S	*	.	H	α-helix	trans	-66.9	-34.6	179.2	-148.1	-86.3	0	0	0	112.7	Y881 W882 Y883 S888 F889	Y881-Y885 PolarHBondContact O-N 2.81Å; W882-Y885 PolarHBondContact O-N 3.1Å; Y883-Y885 VanDerWaalsContact C-N 3.35Å; Y883-Y885 PolarHBondContact O-N 2.82Å; Y885-S888 PolarHBondContact O-OG 3.46Å; Y885-S888 VanDerWaalsContact O-OG 3.05Å; Y885-F889 VanDerWaalsContact O-CB 3.22Å; Y885-F889 WeakPolarHBondContact O-CB 3.5Å; Y885-F889 PolarHBondContact O-N 3.09Å
886	C	71.4	Confident	64.1	Low	64 Å²	64	109 Å²	109	43%	0.432	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-36.4	173.7	-66.4	0	0	0	0	112.2	W882 Y883 I884 S890	W882-C886 PolarHBondContact O-N 3.03Å; W882-C886 PolarHBondContact O-SG 3.41Å; Y883-C886 PolarHBondContact O-N 2.71Å; I884-C886 PolarHBondContact O-N 2.73Å; C886-S890 VanDerWaalsContact O-CB 3.3Å; C886-S890 WeakPolarHBondContact O-CB 3.41Å; C886-S890 PolarHBondContact O-N 3.4Å; C886-S890 PolarHBondContact O-OG 3.29Å
887	I	73.9	Confident	66.4	Low	93 Å²	93	101.5 Å²	101.5	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-70.2	-41.1	176.9	-66.9	166.5	0	0	0	111.2	Y883 I884 S890 T891	Y883-I887 HydrophobicContact CD1-CD1 3.81Å; Y883-I887 HydrophobicContact CE1-CD1 3.99Å; Y883-I887 WeakPolarHBondContact O-CG1 3.33Å; Y883-I887 PolarHBondContact O-N 2.97Å; Y883-I887 VanDerWaalsContact O-N 3.17Å; I884-I887 PolarHBondContact O-N 3.39Å; I887-S890 PolarHBondContact O-OG 2.92Å; I887-T891 WeakPolarHBondContact O-CB 3.28Å; I887-T891 WeakPolarHBondContact O-CG2 3.41Å; I887-T891 PolarHBondContact O-N 3.11Å; I887-T891 VanDerWaalsContact O-N 3.13Å; I887-T891 PolarHBondContact O-OG1 3.14Å
888	S	73.8	Confident	68.3	Low	47 Å²	47	98.7 Å²	98.7	33%	0.329	48%	0.483	S	S	.	.	H	α-helix	trans	-68.6	-40.9	174.8	63.2	0	0	0	0	112.1	I884 Y885 T891 I892	I884-S888 PolarHBondContact O-N 2.79Å; I884-S888 PolarHBondContact O-OG 3.44Å; Y885-S888 PolarHBondContact O-OG 3.46Å; Y885-S888 VanDerWaalsContact O-OG 3.05Å; S888-T891 WeakPolarHBondContact CA-OG1 3.29Å; S888-T891 PolarHBondContact O-OG1 2.87Å; S888-I892 WeakPolarHBondContact O-CB 3.46Å; S888-I892 WeakPolarHBondContact O-CD1 3.2Å; S888-I892 VanDerWaalsContact O-CG1 3.22Å; S888-I892 WeakPolarHBondContact O-CG1 3.34Å; S888-I892 PolarHBondContact O-N 2.85Å
889	F	75.2	Confident	70.1	Confident	121 Å²	121	100 Å²	100	53%	0.531	49%	0.491	S	S	.	.	H	α-helix	trans	-67.9	-42.2	179.6	-163.4	-113.8	0	0	0	112.7	Y885 I892 I893	Y885-F889 VanDerWaalsContact O-CB 3.22Å; Y885-F889 WeakPolarHBondContact O-CB 3.5Å; Y885-F889 PolarHBondContact O-N 3.09Å; F889-I892 PolarHBondContact O-N 2.87Å; F889-I893 HydrophobicContact CD1-CD1 3.7Å; F889-I893 HydrophobicContact CE1-CD1 3.54Å; F889-I893 HydrophobicContact CG-CD1 4.46Å; F889-I893 HydrophobicContact CZ-CD1 4.17Å; F889-I893 WeakPolarHBondContact O-CG1 3.26Å; F889-I893 PolarHBondContact O-N 2.03Å
890	S	77.8	Confident	72	Confident	54 Å²	54	96.1 Å²	96.1	38%	0.378	47%	0.474	S	S	.	.	H	α-helix	trans	-66	-40.4	175.9	54.6	0	0	0	0	113	C886 I887 I893 I894	C886-S890 VanDerWaalsContact O-CB 3.3Å; C886-S890 WeakPolarHBondContact O-CB 3.41Å; C886-S890 PolarHBondContact O-N 3.4Å; C886-S890 PolarHBondContact O-OG 3.29Å; I887-S890 PolarHBondContact O-OG 2.92Å; S890-I893 PolarHBondContact O-N 2.82Å; S890-I894 VanDerWaalsContact O-CG1 3.29Å; S890-I894 WeakPolarHBondContact O-CG1 3.4Å; S890-I894 PolarHBondContact O-N 3.48Å
891	T	79.2	Confident	73.6	Confident	68 Å²	68	95.3 Å²	95.3	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-65.9	-38.3	174.4	48.6	0	0	0	0	112.4	I887 S888 I894 I895	I887-T891 WeakPolarHBondContact O-CB 3.28Å; I887-T891 WeakPolarHBondContact O-CG2 3.41Å; I887-T891 PolarHBondContact O-N 3.11Å; I887-T891 VanDerWaalsContact O-N 3.13Å; I887-T891 PolarHBondContact O-OG1 3.14Å; S888-T891 WeakPolarHBondContact CA-OG1 3.29Å; S888-T891 PolarHBondContact O-OG1 2.87Å; T891-I894 PolarHBondContact O-N 3.03Å; T891-I895 VanDerWaalsContact O-CG1 3.29Å; T891-I895 WeakPolarHBondContact O-CG1 3.37Å; T891-I895 PolarHBondContact O-N 3.29Å
892	I	78.2	Confident	75.2	Confident	91 Å²	91	92.2 Å²	92.2	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-61.7	-44.7	171.9	-71.1	165.1	0	0	0	111.3	S888 F889 I894 I895 L896	S888-I892 WeakPolarHBondContact O-CB 3.46Å; S888-I892 WeakPolarHBondContact O-CD1 3.2Å; S888-I892 VanDerWaalsContact O-CG1 3.22Å; S888-I892 WeakPolarHBondContact O-CG1 3.34Å; S888-I892 PolarHBondContact O-N 2.85Å; F889-I892 PolarHBondContact O-N 2.87Å; I892-I894 PolarHBondContact O-N 2.81Å; I892-I895 PolarHBondContact O-N 2.8Å; I892-L896 HydrophobicContact CG2-CD1 4.03Å; I892-L896 HydrophobicContact CG2-CG 4.47Å; I892-L896 WeakPolarHBondContact O-CG 3.5Å; I892-L896 PolarHBondContact O-N 3.18Å
893	I	77.9	Confident	76.3	Confident	64 Å²	64	92.2 Å²	92.2	33%	0.328	46%	0.462	S	S	.	.	H	α-helix	trans	-61.3	-43.3	177	-74.8	170.1	0	0	0	111.5	F889 S890 I895 L896 I897	F889-I893 HydrophobicContact CD1-CD1 3.7Å; F889-I893 HydrophobicContact CE1-CD1 3.54Å; F889-I893 HydrophobicContact CG-CD1 4.46Å; F889-I893 HydrophobicContact CZ-CD1 4.17Å; F889-I893 WeakPolarHBondContact O-CG1 3.26Å; F889-I893 PolarHBondContact O-N 2.03Å; S890-I893 PolarHBondContact O-N 2.82Å; I893-I895 VanDerWaalsContact C-N 3.34Å; I893-I895 PolarHBondContact O-N 2.91Å; I893-L896 PolarHBondContact O-N 3.03Å; I893-I897 HydrophobicContact CG2-CD1 3.75Å; I893-I897 HydrophobicContact CG2-CG1 4.49Å; I893-I897 WeakPolarHBondContact O-CB 3.04Å; I893-I897 WeakPolarHBondContact O-CG1 3.43Å; I893-I897 PolarHBondContact O-N 2.85Å
894	I	81	Confident	77.2	Confident	94 Å²	94	88.2 Å²	88.2	48%	0.482	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-40.5	176.7	-68.6	163.4	0	0	0	111.1	S890 T891 I892 I897 L898	S890-I894 VanDerWaalsContact O-CG1 3.29Å; S890-I894 WeakPolarHBondContact O-CG1 3.4Å; S890-I894 PolarHBondContact O-N 3.48Å; T891-I894 PolarHBondContact O-N 3.03Å; I892-I894 PolarHBondContact O-N 2.81Å; I894-I897 PolarHBondContact O-N 2.95Å; I894-L898 HydrophobicContact CG2-CD1 3.99Å; I894-L898 WeakPolarHBondContact O-CB 3.5Å; I894-L898 VanDerWaalsContact O-CG 3.32Å; I894-L898 WeakPolarHBondContact O-CG 3.35Å; I894-L898 PolarHBondContact O-N 2.78Å
895	I	81.4	Confident	77.7	Confident	98 Å²	98	90 Å²	90	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-65	-43.1	176.2	-70.9	165.1	0	0	0	111.3	T891 I892 I893 L898 L899	T891-I895 VanDerWaalsContact O-CG1 3.29Å; T891-I895 WeakPolarHBondContact O-CG1 3.37Å; T891-I895 PolarHBondContact O-N 3.29Å; I892-I895 PolarHBondContact O-N 2.8Å; I893-I895 VanDerWaalsContact C-N 3.34Å; I893-I895 PolarHBondContact O-N 2.91Å; I895-L898 PolarHBondContact O-N 3.24Å; I895-L899 HydrophobicContact CG2-CD1 3.88Å; I895-L899 HydrophobicContact CG2-CG 4.37Å; I895-L899 WeakPolarHBondContact O-CB 3.12Å; I895-L899 WeakPolarHBondContact O-CG 3.26Å; I895-L899 PolarHBondContact O-N 2.93Å
896	L	81.3	Confident	78	Confident	87 Å²	87	87 Å²	87	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-49.1	175.7	-73.1	169.7	0	0	0	111.2	I892 I893 L898 L899 F900	I892-L896 HydrophobicContact CG2-CD1 4.03Å; I892-L896 HydrophobicContact CG2-CG 4.47Å; I892-L896 WeakPolarHBondContact O-CG 3.5Å; I892-L896 PolarHBondContact O-N 3.18Å; I893-L896 PolarHBondContact O-N 3.03Å; L896-L898 PolarHBondContact O-N 2.85Å; L896-L899 PolarHBondContact O-N 3.37Å; L896-F900 WeakPolarHBondContact O-CB 3.02Å; L896-F900 PolarHBondContact O-N 2.93Å
897	I	81.8	Confident	77.9	Confident	49 Å²	49	89.6 Å²	89.6	25%	0.251	45%	0.451	S	S	.	.	H	α-helix	trans	-54.5	-48.4	174.6	-75.3	168.9	0	0	0	111.1	I893 I894 F900 I901 Y948	I893-I897 HydrophobicContact CG2-CD1 3.75Å; I893-I897 HydrophobicContact CG2-CG1 4.49Å; I893-I897 WeakPolarHBondContact O-CB 3.04Å; I893-I897 WeakPolarHBondContact O-CG1 3.43Å; I893-I897 PolarHBondContact O-N 2.85Å; I894-I897 PolarHBondContact O-N 2.95Å; I897-F900 PolarHBondContact O-N 2.84Å; I897-I901 HydrophobicContact CG2-CD1 3.91Å; I897-I901 WeakPolarHBondContact O-CB 2.79Å; I897-I901 VanDerWaalsContact O-CG1 3.27Å; I897-I901 WeakPolarHBondContact O-CG1 3.49Å; I897-I901 PolarHBondContact O-N 2.99Å; I897-Y948 PolarHBondContact O-OH 3.18Å
898	L	81	Confident	77.7	Confident	101 Å²	101	93 Å²	93	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-67.6	-44.6	-179	-72	171.1	0	0	0	113.3	I894 I895 L896 F900 I901 L902	I894-L898 HydrophobicContact CG2-CD1 3.99Å; I894-L898 WeakPolarHBondContact O-CB 3.5Å; I894-L898 VanDerWaalsContact O-CG 3.32Å; I894-L898 WeakPolarHBondContact O-CG 3.35Å; I894-L898 PolarHBondContact O-N 2.78Å; I895-L898 PolarHBondContact O-N 3.24Å; L896-L898 PolarHBondContact O-N 2.85Å; L898-F900 VanDerWaalsContact C-N 3.26Å; L898-F900 PolarHBondContact O-N 2.83Å; L898-I901 PolarHBondContact O-N 2.9Å; L898-L902 WeakPolarHBondContact O-CG 3.32Å; L898-L902 PolarHBondContact O-N 2.82Å
899	L	81.7	Confident	77.7	Confident	104 Å²	104	98.9 Å²	98.9	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-57	-44.2	174	-81.6	170.1	0	0	0	111.1	I895 L896 L902 F903	I895-L899 HydrophobicContact CG2-CD1 3.88Å; I895-L899 HydrophobicContact CG2-CG 4.37Å; I895-L899 WeakPolarHBondContact O-CB 3.12Å; I895-L899 WeakPolarHBondContact O-CG 3.26Å; I895-L899 PolarHBondContact O-N 2.93Å; L896-L899 PolarHBondContact O-N 3.37Å; L899-L902 WeakPolarHBondContact O-CB 3.4Å; L899-L902 PolarHBondContact O-N 2.94Å; L899-F903 PolarHBondContact O-N 3.46Å
900	F	80.2	Confident	77.5	Confident	55 Å²	55	97.3 Å²	97.3	24%	0.241	48%	0.478	C	S	.	.	H	α-helix	trans	-74.1	-33.8	-175.3	-163.9	-131.5	0	0	0	110.2	L896 I897 L898 L902 F903 K904 Q947 Y948	L896-F900 WeakPolarHBondContact O-CB 3.02Å; L896-F900 PolarHBondContact O-N 2.93Å; I897-F900 PolarHBondContact O-N 2.84Å; L898-F900 VanDerWaalsContact C-N 3.26Å; L898-F900 PolarHBondContact O-N 2.83Å; F900-L902 VanDerWaalsContact C-N 3.3Å; F900-L902 PolarHBondContact O-N 3.21Å; F900-F903 HydrophobicContact CD2-CB 4.27Å; F900-F903 CarbonylContact O-C 3.43Å; F900-F903 WeakPolarHBondContact O-CA 3.32Å; F900-F903 VanDerWaalsContact O-CB 3.23Å; F900-F903 WeakPolarHBondContact O-CB 3.17Å; F900-F903 PolarHBondContact O-N 2.79Å; F900-K904 PolarHBondContact O-N 2.77Å; F900-Q947 HydrophobicContact CD1-CB 4.01Å; F900-Q947 HydrophobicContact CE1-CB 3.61Å; F900-Q947 VanDerWaalsContact CZ-N 3.27Å; F900-Y948 VanDerWaalsContact C-CE2 3.43Å; F900-Y948 VanDerWaalsContact C-CZ 3.47Å; F900-Y948 WeakPolarHBondContact CA-OH 3.34Å; F900-Y948 HydrophobicContact CB-CE2 3.9Å; F900-Y948 WeakPolarHBondContact CB-OH 3.21Å; F900-Y948 HydrophobicContact CD1-CD1 4.47Å; F900-Y948 AromaticContact CD1-CD2 3.39Å; F900-Y948 HydrophobicContact CD1-CD2 3.39Å; F900-Y948 HydrophobicContact CD1-CE1 4.19Å; F900-Y948 AromaticContact CD1-CE2 2.95Å; F900-Y948 HydrophobicContact CD1-CE2 2.95Å; F900-Y948 HydrophobicContact CD1-CG 4Å; F900-Y948 AromaticContact CD1-CZ 3.26Å; F900-Y948 WeakPolarHBondContact CD1-OH 3.38Å; F900-Y948 HydrophobicContact CD2-CD2 4.29Å; F900-Y948 AromaticContact CD2-CE2 3.8Å; F900-Y948 HydrophobicContact CD2-CE2 3.8Å; F900-Y948 HydrophobicContact CE1-CD1 4.29Å; F900-Y948 AromaticContact CE1-CD2 2.94Å; F900-Y948 HydrophobicContact CE1-CD2 2.94Å; F900-Y948 HydrophobicContact CE1-CE1 4.45Å; F900-Y948 AromaticContact CE1-CE2 3.12Å; F900-Y948 HydrophobicContact CE1-CE2 3.12Å; F900-Y948 AromaticContact CE1-CG 3.46Å; F900-Y948 HydrophobicContact CE1-CG 3.46Å; F900-Y948 VanDerWaalsContact CE1-CG 3.46Å; F900-Y948 AromaticContact CE1-CZ 3.77Å; F900-Y948 HydrophobicContact CE2-CD2 4.01Å; F900-Y948 HydrophobicContact CE2-CE2 4Å; F900-Y948 AromaticContact CG-CD2 4Å; F900-Y948 HydrophobicContact CG-CD2 4Å; F900-Y948 AromaticContact CG-CE2 3.26Å; F900-Y948 HydrophobicContact CG-CE2 3.26Å; F900-Y948 AromaticContact CG-CZ 3.74Å; F900-Y948 WeakPolarHBondContact CG-OH 3.49Å; F900-Y948 AromaticContact CZ-CD2 3.33Å; F900-Y948 HydrophobicContact CZ-CD2 3.33Å; F900-Y948 AromaticContact CZ-CE2 3.68Å; F900-Y948 HydrophobicContact CZ-CE2 3.68Å; F900-Y948 HydrophobicContact CZ-CG 4.13Å; F900-Y948 WeakPolarHBondContact O-CE2 3.4Å; F900-Y948 PolarHBondContact O-OH 2.91Å
901	I	80.5	Confident	76.6	Confident	53 Å²	53	101.9 Å²	101.9	27%	0.272	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.9	-76.3	170.6	0	0	0	109.7	I897 L898 F903 K904 K905 Y948	I897-I901 HydrophobicContact CG2-CD1 3.91Å; I897-I901 WeakPolarHBondContact O-CB 2.79Å; I897-I901 VanDerWaalsContact O-CG1 3.27Å; I897-I901 WeakPolarHBondContact O-CG1 3.49Å; I897-I901 PolarHBondContact O-N 2.99Å; L898-I901 PolarHBondContact O-N 2.9Å; I901-F903 VanDerWaalsContact C-N 3.34Å; I901-K904 PolarHBondContact O-N 2.89Å; I901-K905 HydrophobicContact CG2-CD 4.49Å; I901-K905 WeakPolarHBondContact O-CG 3.46Å; I901-K905 PolarHBondContact O-N 3.05Å; I901-K905 VanDerWaalsContact O-N 3.08Å; I901-Y948 VanDerWaalsContact CA-OH 3.32Å; I901-Y948 WeakPolarHBondContact CA-OH 3.27Å; I901-Y948 HydrophobicContact CG1-CE1 4.09Å; I901-Y948 VanDerWaalsContact CG1-OH 3.31Å; I901-Y948 WeakPolarHBondContact CG1-OH 3.42Å; I901-Y948 PolarHBondContact N-OH 3.42Å
902	L	77.9	Confident	75.9	Confident	111 Å²	111	106.8 Å²	106.8	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-43.5	171.3	-69.2	165.7	0	0	0	110.7	L898 L899 F900 K905 L906	L898-L902 WeakPolarHBondContact O-CG 3.32Å; L898-L902 PolarHBondContact O-N 2.82Å; L899-L902 WeakPolarHBondContact O-CB 3.4Å; L899-L902 PolarHBondContact O-N 2.94Å; F900-L902 VanDerWaalsContact C-N 3.3Å; F900-L902 PolarHBondContact O-N 3.21Å; L902-K905 PolarHBondContact O-N 3.43Å; L902-L906 WeakPolarHBondContact O-CB 3.5Å; L902-L906 PolarHBondContact O-N 3.13Å
903	F	75.6	Confident	75.3	Confident	131 Å²	131	104.1 Å²	104.1	58%	0.575	50%	0.502	S	S	*	.	H	α-helix	trans	-59.9	-46.7	174.5	-129	-87.4	0	0	0	112.5	L899 F900 I901 K905 L906 F907	L899-F903 PolarHBondContact O-N 3.46Å; F900-F903 HydrophobicContact CD2-CB 4.27Å; F900-F903 CarbonylContact O-C 3.43Å; F900-F903 WeakPolarHBondContact O-CA 3.32Å; F900-F903 VanDerWaalsContact O-CB 3.23Å; F900-F903 WeakPolarHBondContact O-CB 3.17Å; F900-F903 PolarHBondContact O-N 2.79Å; I901-F903 VanDerWaalsContact C-N 3.34Å; F903-K905 VanDerWaalsContact C-N 3.29Å; F903-K905 PolarHBondContact O-N 2.8Å; F903-L906 PolarHBondContact O-N 3.17Å; F903-L906 VanDerWaalsContact O-N 3.15Å; F903-F907 WeakPolarHBondContact O-CB 3.38Å; F903-F907 PolarHBondContact O-N 3.42Å
904	K	76	Confident	74.2	Confident	91 Å²	91	105.8 Å²	105.8	40%	0.396	51%	0.51	S	S	.	.	H	α-helix	trans	-59.6	-38.4	176.8	-142.4	-174.3	-159.8	172.1	0	111.3	F900 I901 K908 Y948 E949	F900-K904 PolarHBondContact O-N 2.77Å; I901-K904 PolarHBondContact O-N 2.89Å; K904-K908 PolarHBondContact O-N 3.11Å; K904-K908 VanDerWaalsContact O-N 3.16Å; K904-Y948 HydrophobicContact CB-CD2 3.91Å; K904-Y948 HydrophobicContact CB-CE2 3.62Å; K904-Y948 HydrophobicContact CD-CD1 3.47Å; K904-Y948 VanDerWaalsContact CD-CD1 3.47Å; K904-Y948 HydrophobicContact CD-CD2 3.45Å; K904-Y948 VanDerWaalsContact CD-CD2 3.45Å; K904-Y948 HydrophobicContact CD-CE1 3.82Å; K904-Y948 HydrophobicContact CD-CE2 3.81Å; K904-Y948 HydrophobicContact CD-CG 3.46Å; K904-Y948 VanDerWaalsContact CD-CG 3.46Å; K904-Y948 HydrophobicContact CG-CD2 3.6Å; K904-Y948 HydrophobicContact CG-CE2 3.87Å; K904-Y948 HydrophobicContact CG-CG 4.14Å; K904-E949 PolarHBondContact NZ-O 2.94Å
905	K	77.1	Confident	72.7	Confident	145 Å²	145	108 Å²	108	63%	0.63	52%	0.517	S	S	*	.	H	α-helix	trans	-68.6	-44.3	173.7	-74.7	176.1	178.7	175.2	0	112.1	I901 L902 F903 K908 K909	I901-K905 HydrophobicContact CG2-CD 4.49Å; I901-K905 WeakPolarHBondContact O-CG 3.46Å; I901-K905 PolarHBondContact O-N 3.05Å; I901-K905 VanDerWaalsContact O-N 3.08Å; L902-K905 PolarHBondContact O-N 3.43Å; F903-K905 VanDerWaalsContact C-N 3.29Å; F903-K905 PolarHBondContact O-N 2.8Å; K905-K908 PolarHBondContact O-N 3.32Å; K905-K909 PolarHBondContact O-N 2.92Å; K905-K909 VanDerWaalsContact O-N 3.17Å
906	L	74.7	Confident	71.3	Confident	105 Å²	105	110.5 Å²	110.5	55%	0.55	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-45.8	178.1	-143.7	84.5	0	0	0	111.2	L902 F903 K908 K909 I910	L902-L906 WeakPolarHBondContact O-CB 3.5Å; L902-L906 PolarHBondContact O-N 3.13Å; F903-L906 PolarHBondContact O-N 3.17Å; F903-L906 VanDerWaalsContact O-N 3.15Å; L906-K908 VanDerWaalsContact C-N 3.34Å; L906-K908 PolarHBondContact O-N 3.42Å; L906-K909 WeakPolarHBondContact O-CA 3.34Å; L906-K909 WeakPolarHBondContact O-CB 3.5Å; L906-K909 PolarHBondContact O-N 2.62Å; L906-I910 HydrophobicContact CD2-CD1 4.31Å; L906-I910 HydrophobicContact CG-CD1 4.44Å; L906-I910 WeakPolarHBondContact O-CG1 3.23Å; L906-I910 PolarHBondContact O-N 3.07Å
907	F	68.9	Low	69.9	Low	120 Å²	120	115.9 Å²	115.9	53%	0.526	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-37.8	178.8	-142.2	-89.1	0	0	0	111.7	F903 K909 I910 K911	F903-F907 WeakPolarHBondContact O-CB 3.38Å; F903-F907 PolarHBondContact O-N 3.42Å; F907-K909 PolarHBondContact O-N 2.68Å; F907-I910 PolarHBondContact O-N 3.13Å; F907-K911 WeakPolarHBondContact O-CB 3.41Å; F907-K911 PolarHBondContact O-N 3.25Å
908	K	70.6	Confident	68.2	Low	164 Å²	164	121 Å²	121	71%	0.713	56%	0.561	S	S	*	*	H	α-helix	trans	-61	-38.7	170.4	-90.3	-174.5	173.9	-179.8	0	112.7	K904 K905 L906 K912	K904-K908 PolarHBondContact O-N 3.11Å; K904-K908 VanDerWaalsContact O-N 3.16Å; K905-K908 PolarHBondContact O-N 3.32Å; L906-K908 VanDerWaalsContact C-N 3.34Å; L906-K908 PolarHBondContact O-N 3.42Å; K908-K912 PolarHBondContact O-N 2.81Å
909	K	73.6	Confident	66.5	Low	171 Å²	171	121.5 Å²	121.5	74%	0.743	56%	0.56	S	S	*	*	H	α-helix	trans	-64.9	-50.3	173.7	-106.2	-175.6	175.5	-176.9	0	111.6	K905 L906 F907 K911 K912 G913	K905-K909 PolarHBondContact O-N 2.92Å; K905-K909 VanDerWaalsContact O-N 3.17Å; L906-K909 WeakPolarHBondContact O-CA 3.34Å; L906-K909 WeakPolarHBondContact O-CB 3.5Å; L906-K909 PolarHBondContact O-N 2.62Å; F907-K909 PolarHBondContact O-N 2.68Å; K909-K911 PolarHBondContact O-N 3.4Å; K909-K912 PolarHBondContact O-N 3.3Å; K909-G913 PolarHBondContact O-N 3.19Å; K909-G913 VanDerWaalsContact O-N 3.16Å
910	I	71.1	Confident	64.8	Low	87 Å²	87	126 Å²	126	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-61.6	-43.5	-179.7	-66.4	166.3	0	0	0	111.2	L906 F907 K912 G913 L914	L906-I910 HydrophobicContact CD2-CD1 4.31Å; L906-I910 HydrophobicContact CG-CD1 4.44Å; L906-I910 WeakPolarHBondContact O-CG1 3.23Å; L906-I910 PolarHBondContact O-N 3.07Å; F907-I910 PolarHBondContact O-N 3.13Å; I910-K912 VanDerWaalsContact C-N 3.32Å; I910-K912 PolarHBondContact O-N 3.04Å; I910-G913 PolarHBondContact O-N 2.89Å; I910-L914 HydrophobicContact CG2-CD1 3.76Å; I910-L914 HydrophobicContact CG2-CG 4.3Å; I910-L914 PolarHBondContact O-N 3.37Å
911	K	60	Low	63.2	Low	150 Å²	150	131.8 Å²	131.8	65%	0.652	60%	0.601	S	S	*	*	H	α-helix	trans	-67	-29	-179.6	-157.2	168.5	-172.2	175.8	0	112.8	F907 K909 K915	F907-K911 WeakPolarHBondContact O-CB 3.41Å; F907-K911 PolarHBondContact O-N 3.25Å; K909-K911 PolarHBondContact O-N 3.4Å; K911-K915 PolarHBondContact O-N 2.99Å
912	K	64.1	Low	61.4	Low	171 Å²	171	134.6 Å²	134.6	74%	0.743	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-48.9	167.7	-82.3	-167.3	172.1	-170	0	111.9	K908 K909 I910 L914 K915	K908-K912 PolarHBondContact O-N 2.81Å; K909-K912 PolarHBondContact O-N 3.3Å; I910-K912 VanDerWaalsContact C-N 3.32Å; I910-K912 PolarHBondContact O-N 3.04Å; K912-L914 PolarHBondContact O-N 2.74Å; K912-K915 PolarHBondContact O-N 3.47Å
913	G	65.7	Low	59.4	Low	36 Å²	36	136.9 Å²	136.9	37%	0.371	63%	0.628	S	S	.	*	H	α-helix	trans	-63.8	-35.2	-179.4	0	0	0	0	0	114.3	K909 I910	K909-G913 PolarHBondContact O-N 3.19Å; K909-G913 VanDerWaalsContact O-N 3.16Å; I910-G913 PolarHBondContact O-N 2.89Å
914	L	55.2	Low	57.7	Low	98 Å²	98	140.1 Å²	140.1	51%	0.513	64%	0.642	S	S	.	*	H	α-helix	trans	-72.6	-26.5	177	-73.8	172.4	0	0	0	113.6	I910 K912 R917 K918	I910-L914 HydrophobicContact CG2-CD1 3.76Å; I910-L914 HydrophobicContact CG2-CG 4.3Å; I910-L914 PolarHBondContact O-N 3.37Å; K912-L914 PolarHBondContact O-N 2.74Å; L914-R917 PolarHBondContact O-N 3.44Å; L914-K918 PolarHBondContact O-N 3.29Å
915	K	48.5	Very low	55.7	Low	141 Å²	141	140.7 Å²	140.7	61%	0.613	66%	0.657	S	S	*	*	H	α-helix	trans	-66.1	-49.2	178.6	-152.2	-175.6	-179.3	-165.2	0	111	K911 K912 R917 K918 E919	K911-K915 PolarHBondContact O-N 2.99Å; K912-K915 PolarHBondContact O-N 3.47Å; K915-R917 PolarHBondContact O-N 3.26Å; K915-K918 PolarHBondContact O-N 2.87Å; K915-E919 PolarHBondContact O-N 3.35Å
916	Q	52.3	Low	53.3	Low	150 Å²	150	141.3 Å²	141.3	70%	0.701	67%	0.666	S	S	*	*	H	α-helix	trans	-61	-24.4	175.9	-69	179.3	-33.2	0	0	113.9
917	R	52.1	Low	51.2	Low	200 Å²	200	145.6 Å²	145.6	76%	0.755	68%	0.68	S	S	*	*	H	α-helix	trans	-85.3	-20.1	174.3	-79.2	-173.9	171.6	-179	-2.2	114.4	L914 K915	L914-R917 PolarHBondContact O-N 3.44Å; K915-R917 PolarHBondContact O-N 3.26Å
918	K	44.4	Very low	49.5	Very low	158 Å²	158	145.9 Å²	145.9	69%	0.687	69%	0.691	S	S	*	*	H	α-helix	trans	-82.6	-40.1	176.2	-79.9	-166.4	171.2	-169.5	0	112.7	L914 K915 K920 K921	L914-K918 PolarHBondContact O-N 3.29Å; K915-K918 PolarHBondContact O-N 2.87Å; K918-K920 VanDerWaalsContact C-N 3.29Å; K918-K920 PolarHBondContact O-N 3.27Å; K918-K921 PolarHBondContact O-N 3.08Å
919	E	47.1	Very low	47.6	Very low	110 Å²	110	144.7 Å²	144.7	51%	0.514	69%	0.693	S	S	.	*	H	α-helix	trans	-59.1	-38.1	-179.6	-73.9	154.5	-173.5	0	0	112	K915 K921 I922	K915-E919 PolarHBondContact O-N 3.35Å; E919-K921 PolarHBondContact O-N 2.84Å; E919-K921 VanDerWaalsContact O-N 3.17Å; E919-I922 PolarHBondContact O-N 3.33Å
920	K	45.3	Very low	45.4	Very low	199 Å²	199	144 Å²	144	87%	0.865	69%	0.692	S	S	*	*	H	α-helix	trans	-69.6	-2.4	173.6	-83.9	-168.2	173.8	-174.7	0	116.3	K918	K918-K920 VanDerWaalsContact C-N 3.29Å; K918-K920 PolarHBondContact O-N 3.27Å
921	K	46.2	Very low	43.3	Very low	176 Å²	176	148.2 Å²	148.2	77%	0.765	71%	0.71	S	S	*	*	H	α-helix	trans	-111.3	-11.1	175.9	-84.7	-165	172	-169.8	0	115	K918 E919	K918-K921 PolarHBondContact O-N 3.08Å; E919-K921 PolarHBondContact O-N 2.84Å; E919-K921 VanDerWaalsContact O-N 3.17Å
922	I	42.7	Very low	41.6	Very low	112 Å²	112	150 Å²	150	57%	0.574	72%	0.717	S	S	*	*	H	α-helix	trans	-79.5	-28.6	-170.6	-72.4	166.4	0	0	0	113	E919 K924	E919-I922 PolarHBondContact O-N 3.33Å; I922-K924 PolarHBondContact O-N 3.36Å
923	N	35.5	Very low	39.8	Very low	159 Å²	159	149 Å²	149	85%	0.85	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	24.4	179.8	-73.5	10.2	0	0	0	115.2
924	K	39.7	Very low	37.9	Very low	199 Å²	199	154.7 Å²	154.7	87%	0.865	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	6.5	-174.4	-132.4	178.8	-176.8	-177.7	0	117.2	I922	I922-K924 PolarHBondContact O-N 3.36Å
925	S	34.3	Very low	36.4	Very low	103 Å²	103	157.3 Å²	157.3	72%	0.72	75%	0.748	S	S	*	*			trans	-152.8	73.2	177.8	61.4	0	0	0	0	113.4
926	I	28.3	Very low	35.4	Very low	158 Å²	158	156.4 Å²	156.4	81%	0.81	75%	0.754	S	S	*	*			trans	-104.3	105.6	164.6	-60.2	173.6	0	0	0	108
927	K	30.2	Very low	34.2	Very low	196 Å²	196	154.9 Å²	154.9	85%	0.852	76%	0.756	S	S	*	*			trans	177.7	137.2	143.8	-104.3	166.5	-177.1	-178.1	0	113.8
928	V	33.5	Very low	32.9	Very low	125 Å²	125	152.7 Å²	152.7	76%	0.758	76%	0.758	S	S	*	*			trans	71.8	114.6	157.9	-175.7	0	0	0	0	118.9
929	N	29.6	Very low	32.1	Very low	140 Å²	140	151.4 Å²	151.4	75%	0.749	77%	0.766	S	S	*	*			trans	32.2	125.8	152.3	-55.2	-0.3	0	0	0	120.5
930	H	27.7	Very low	31.2	Very low	156 Å²	156	153 Å²	153	72%	0.722	78%	0.778	S	S	*	*			cis	68.8	123.2	49.3	-78.8	-90.3	0	0	0	116.9
931	Q	26.2	Very low	30.2	Very low	176 Å²	176	149 Å²	149	82%	0.822	76%	0.764	S	S	*	*			trans	62.1	97.8	146	-67.6	172	-24.8	0	0	119
932	K	25.9	Very low	29.3	Very low	187 Å²	187	146 Å²	146	81%	0.813	76%	0.756	S	S	*	*				-147.1	157.1	107.5	-113.8	179.8	179.9	-172	0	112.3
933	Q	24.8	Very low	28.5	Very low	149 Å²	149	148.4 Å²	148.4	70%	0.696	77%	0.768	S	S	*	*			trans	-3.9	137.3	167	-63.7	148.2	-67.7	0	0	118.7
934	I	26.4	Very low	28	Very low	157 Å²	157	147.2 Å²	147.2	81%	0.805	76%	0.761	S	S	*	*				-150.3	126.4	124.9	-105.3	153.5	0	0	0	109.1	V936	I934-V936 HydrophobicContact CG2-CG2 4.05Å
935	I	23.6	Very low	27.4	Very low	152 Å²	152	143.4 Å²	143.4	78%	0.779	75%	0.751	S	S	*	*			trans	-97	122.8	162.9	-62.7	164.2	0	0	0	105.1
936	V	27.7	Very low	27.2	Very low	122 Å²	122	143.4 Å²	143.4	74%	0.739	74%	0.743	S	S	*	*			trans	-137.5	142	163.3	167.8	0	0	0	0	108.8	I934	I934-V936 HydrophobicContact CG2-CG2 4.05Å
937	T	26.7	Very low	27.2	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	72%	0.722	S	S	*	*			trans	-82	-179.5	-172	40	0	0	0	0	113.9
938	L	25	Very low	27.1	Very low	155 Å²	155	133.1 Å²	133.1	81%	0.812	69%	0.692	S	S	*	*			trans	-61.6	162.6	178.8	-68.4	73	0	0	0	112.2
939	P	27.8	Very low	26.9	Very low	131 Å²	131	129.3 Å²	129.3	85%	0.851	67%	0.666	S	S	*	*				-123	175.7	116.8	36.7	-34.7	0	0	0	114.3
940	N	27.7	Very low	26.8	Very low	144 Å²	144	127 Å²	127	77%	0.77	66%	0.657	S	S	*	*			trans	-84.2	156.5	-154.2	-128	-28.1	0	0	0	116.1
941	M	24.8	Very low	26.8	Very low	113 Å²	113	125.2 Å²	125.2	56%	0.557	65%	0.653	S	S	*	*			trans	73.5	129.2	147.7	-65.8	-70.6	-80.9	0	0	122.5	K860	K860-M941 HydrophobicContact CD-CE 4.43Å
942	N	26.5	Very low	26.9	Very low	113 Å²	113	124.6 Å²	124.6	60%	0.604	65%	0.65	S	S	*	*			trans	56.9	105.1	141.4	-73.6	17.1	0	0	0	120.2
943	I	25.8	Very low	26.9	Very low	163 Å²	163	120.7 Å²	120.7	84%	0.836	64%	0.642	S	S	*	*				-163.4	157.8	91.5	-101.9	163.5	0	0	0	111.9
944	L	25.9	Very low	27	Very low	134 Å²	134	123.3 Å²	123.3	70%	0.702	65%	0.647	S	S	*	*			trans	-65.8	167	-171.6	-67.5	70.1	0	0	0	115
945	N	27.2	Very low	27	Very low	120 Å²	120	122.2 Å²	122.2	64%	0.642	64%	0.642	S	S	*	*				96.1	113.8	128.4	-93.8	7.6	0	0	0	120.3
946	N	29.1	Very low	27.1	Very low	103 Å²	103	121 Å²	121	55%	0.551	64%	0.637	S	S	*	*				64.9	151.5	110.9	-72.6	-1	0	0	0	121.5
947	Q	29.1	Very low	27.1	Very low	79 Å²	79	121.6 Å²	121.6	37%	0.369	64%	0.636	S	S	.	*			cis	-98.5	-148.6	-29.5	-78.3	99.4	-21.8	0	0	108.8	F900 E949	F900-Q947 HydrophobicContact CD1-CB 4.01Å; F900-Q947 HydrophobicContact CE1-CB 3.61Å; F900-Q947 VanDerWaalsContact CZ-N 3.27Å; Q947-E949 HydrophobicContact CB-CB 4.47Å
948	Y	28.2	Very low	27	Very low	59 Å²	59	123.1 Å²	123.1	23%	0.231	64%	0.639	C	S	.	*				-147.1	106.6	62.3	-139.2	-53.3	0	0	0	107.5	I897 F900 I901 K904	I897-Y948 PolarHBondContact O-OH 3.18Å; F900-Y948 VanDerWaalsContact C-CE2 3.43Å; F900-Y948 VanDerWaalsContact C-CZ 3.47Å; F900-Y948 WeakPolarHBondContact CA-OH 3.34Å; F900-Y948 HydrophobicContact CB-CE2 3.9Å; F900-Y948 WeakPolarHBondContact CB-OH 3.21Å; F900-Y948 HydrophobicContact CD1-CD1 4.47Å; F900-Y948 AromaticContact CD1-CD2 3.39Å; F900-Y948 HydrophobicContact CD1-CD2 3.39Å; F900-Y948 HydrophobicContact CD1-CE1 4.19Å; F900-Y948 AromaticContact CD1-CE2 2.95Å; F900-Y948 HydrophobicContact CD1-CE2 2.95Å; F900-Y948 HydrophobicContact CD1-CG 4Å; F900-Y948 AromaticContact CD1-CZ 3.26Å; F900-Y948 WeakPolarHBondContact CD1-OH 3.38Å; F900-Y948 HydrophobicContact CD2-CD2 4.29Å; F900-Y948 AromaticContact CD2-CE2 3.8Å; F900-Y948 HydrophobicContact CD2-CE2 3.8Å; F900-Y948 HydrophobicContact CE1-CD1 4.29Å; F900-Y948 AromaticContact CE1-CD2 2.94Å; F900-Y948 HydrophobicContact CE1-CD2 2.94Å; F900-Y948 HydrophobicContact CE1-CE1 4.45Å; F900-Y948 AromaticContact CE1-CE2 3.12Å; F900-Y948 HydrophobicContact CE1-CE2 3.12Å; F900-Y948 AromaticContact CE1-CG 3.46Å; F900-Y948 HydrophobicContact CE1-CG 3.46Å; F900-Y948 VanDerWaalsContact CE1-CG 3.46Å; F900-Y948 AromaticContact CE1-CZ 3.77Å; F900-Y948 HydrophobicContact CE2-CD2 4.01Å; F900-Y948 HydrophobicContact CE2-CE2 4Å; F900-Y948 AromaticContact CG-CD2 4Å; F900-Y948 HydrophobicContact CG-CD2 4Å; F900-Y948 AromaticContact CG-CE2 3.26Å; F900-Y948 HydrophobicContact CG-CE2 3.26Å; F900-Y948 AromaticContact CG-CZ 3.74Å; F900-Y948 WeakPolarHBondContact CG-OH 3.49Å; F900-Y948 AromaticContact CZ-CD2 3.33Å; F900-Y948 HydrophobicContact CZ-CD2 3.33Å; F900-Y948 AromaticContact CZ-CE2 3.68Å; F900-Y948 HydrophobicContact CZ-CE2 3.68Å; F900-Y948 HydrophobicContact CZ-CG 4.13Å; F900-Y948 WeakPolarHBondContact O-CE2 3.4Å; F900-Y948 PolarHBondContact O-OH 2.91Å; I901-Y948 VanDerWaalsContact CA-OH 3.32Å; I901-Y948 WeakPolarHBondContact CA-OH 3.27Å; I901-Y948 HydrophobicContact CG1-CE1 4.09Å; I901-Y948 VanDerWaalsContact CG1-OH 3.31Å; I901-Y948 WeakPolarHBondContact CG1-OH 3.42Å; I901-Y948 PolarHBondContact N-OH 3.42Å; K904-Y948 HydrophobicContact CB-CD2 3.91Å; K904-Y948 HydrophobicContact CB-CE2 3.62Å; K904-Y948 HydrophobicContact CD-CD1 3.47Å; K904-Y948 VanDerWaalsContact CD-CD1 3.47Å; K904-Y948 HydrophobicContact CD-CD2 3.45Å; K904-Y948 VanDerWaalsContact CD-CD2 3.45Å; K904-Y948 HydrophobicContact CD-CE1 3.82Å; K904-Y948 HydrophobicContact CD-CE2 3.81Å; K904-Y948 HydrophobicContact CD-CG 3.46Å; K904-Y948 VanDerWaalsContact CD-CG 3.46Å; K904-Y948 HydrophobicContact CG-CD2 3.6Å; K904-Y948 HydrophobicContact CG-CE2 3.87Å; K904-Y948 HydrophobicContact CG-CG 4.14Å
949	E	29.9	Very low	27	Very low	44 Å²	44	120.7 Å²	120.7	21%	0.206	64%	0.635	C	S	.	*				45.2	131.8	93.5	-104.4	-168.1	-84.6	0	0	111.2	K904 Q947	K904-E949 PolarHBondContact NZ-O 2.94Å; Q947-E949 HydrophobicContact CB-CB 4.47Å
950	T	26.7	Very low	26.9	Very low	92 Å²	92	123.8 Å²	123.8	56%	0.564	64%	0.636	S	S	*	*			cis	-170.1	161.9	42.9	31.5	0	0	0	0	106.1
951	N	27.9	Very low	26.8	Very low	119 Å²	119	123.5 Å²	123.5	64%	0.636	63%	0.634	S	S	*	*			cis	-163.3	177.6	-1.8	-117.8	2.7	0	0	0	110.6
952	Q	29.1	Very low	27.1	Very low	163 Å²	163	124.8 Å²	124.8	76%	0.762	64%	0.643	S	S	*	*			trans	71.3	102.9	155.6	-73.7	151.4	-38.1	0	0	116.2
953	T	25.8	Very low	27.1	Very low	104 Å²	104	126.4 Å²	126.4	64%	0.638	64%	0.642	S	S	*	*				78.9	109.3	56.8	67.1	0	0	0	0	114.6
954	Y	25.6	Very low	27.2	Very low	204 Å²	204	124 Å²	124	80%	0.8	63%	0.626	S	S	*	*				177.7	149.8	94.5	-98	-70.1	0	0	0	113.9
955	L	27.2	Very low	27.3	Very low	134 Å²	134	120.7 Å²	120.7	70%	0.702	62%	0.615	S	S	*	*			trans	72.8	76.2	151.9	-70.4	160.3	0	0	0	121.9
956	N	26.3	Very low	27.3	Very low	128 Å²	128	121.1 Å²	121.1	68%	0.684	62%	0.617	S	S	*	*				67.5	148	116.7	-61.6	15.9	0	0	0	124.2
957	N	26.5	Very low	27.2	Very low	133 Å²	133	124 Å²	124	71%	0.711	63%	0.625	S	S	*	*			trans	88.3	44.1	162.7	-66.9	10.9	0	0	0	117.8	S959	N957-S959 PolarHBondContact O-N 3.33Å
958	D	25.1	Very low	27.1	Very low	150 Å²	150	126.3 Å²	126.3	80%	0.802	64%	0.639	S	S	*	*				61.4	58.9	110.4	-57	21.9	0	0	0	117.8
959	S	25.1	Very low	27	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	66%	0.659	S	S	*	*			trans	-76	117.4	139	59.5	0	0	0	0	110.4	N957	N957-S959 PolarHBondContact O-N 3.33Å
960	F	25.5	Very low	26.9	Very low	197 Å²	197	133 Å²	133	86%	0.864	68%	0.68	S	S	*	*	S	Bend	trans	67.7	147.4	157.3	-78.5	-108.5	0	0	0	120.9
961	N	26.3	Very low	27	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	69%	0.685	S	S	*	*			trans	81.7	131.6	152.6	-91.9	-12.1	0	0	0	122.6
962	L	31.1	Very low	27	Very low	140 Å²	140	139.1 Å²	139.1	73%	0.733	70%	0.695	S	S	*	*	S	Bend	trans	70.9	81.4	143.3	-61	167.2	0	0	0	119.5
963	Y	26.3	Very low	26.8	Very low	148 Å²	148	138.9 Å²	138.9	58%	0.58	69%	0.692	S	S	*	*			trans	62.8	99.4	150.1	-79.7	-87.9	0	0	0	119.7	N864	N864-Y963 PolarHBondContact ND2-OH 3.35Å; N864-Y963 PolarHBondContact OD1-OH 3.45Å; N864-Y963 VanDerWaalsContact OD1-OH 3.12Å
964	E	27.6	Very low	26.9	Very low	111 Å²	111	141.8 Å²	141.8	52%	0.519	70%	0.698	S	S	.	*			trans	58.4	120.1	142.3	-63.1	176.5	-130.2	0	0	118.2	Y867	Y867-E964 VanDerWaalsContact CE2-OE1 3.3Å; Y867-E964 WeakPolarHBondContact CE2-OE1 3.31Å; Y867-E964 PolarHBondContact OH-OE2 3.46Å
965	S	27.8	Very low	26.9	Very low	65 Å²	65	140.7 Å²	140.7	46%	0.455	70%	0.698	S	S	.	*			cis	-175.6	150.3	19.6	46.8	0	0	0	0	113.8	W882	W882-S965 WeakPolarHBondContact CH2-OG 3.27Å; W882-S965 WeakPolarHBondContact CZ3-OG 3.36Å
966	N	27.9	Very low	26.7	Very low	130 Å²	130	141.8 Å²	141.8	70%	0.695	70%	0.704	S	S	*	*			trans	46.2	122.9	153.1	-71.1	-40.4	0	0	0	123.4
967	F	26.9	Very low	26.7	Very low	163 Å²	163	142.5 Å²	142.5	72%	0.715	71%	0.706	S	S	*	*			trans	96.7	99.9	131.5	-95	-121.5	0	0	0	122.5
968	I	27	Very low	26.8	Very low	128 Å²	128	139.3 Å²	139.3	66%	0.656	69%	0.694	S	S	*	*				101.7	117.3	123.3	-84.7	-172.5	0	0	0	122.2
969	N	26.3	Very low	27.1	Very low	122 Å²	122	137.2 Å²	137.2	65%	0.652	68%	0.683	S	S	*	*			trans	84.9	127.8	143.5	-79.2	20.6	0	0	0	126.2
970	N	27.8	Very low	27.4	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	66%	0.662	S	S	*	*			trans	88.5	111.3	138.4	-66.8	13.4	0	0	0	122.3
971	E	29	Very low	27.8	Very low	146 Å²	146	130.7 Å²	130.7	68%	0.682	65%	0.645	S	S	*	*			trans	18.5	134.7	142	-56.4	-172.7	102.9	0	0	121.6
972	F	27.2	Very low	28.1	Very low	194 Å²	194	129.7 Å²	129.7	85%	0.851	64%	0.64	S	S	*	*				-162.2	-174.7	97.6	-121.7	-101.1	0	0	0	112.8
973	K	25.1	Very low	28.2	Very low	159 Å²	159	130 Å²	130	69%	0.691	64%	0.637	S	S	*	*			trans	-116.5	148.3	-158.3	-75.2	176.1	178.2	167.2	0	117.1
974	Q	27.7	Very low	28.2	Very low	164 Å²	164	129.1 Å²	129.1	77%	0.766	64%	0.642	S	S	*	*			trans	78.1	155.8	136.9	-84.3	-177.4	0.6	0	0	123.7
975	K	24.9	Very low	28.4	Very low	181 Å²	181	130.1 Å²	130.1	79%	0.787	65%	0.651	S	S	*	*			trans	79.8	154.3	162.6	-70.8	167.5	-178.8	-179	0	118.3
976	L	24.2	Very low	28.5	Very low	158 Å²	158	133 Å²	133	83%	0.827	67%	0.665	S	S	*	*			cis	166.9	138.7	-33.5	-114.9	160.5	0	0	0	107.6
977	I	26.1	Very low	29.1	Very low	142 Å²	142	132 Å²	132	73%	0.728	67%	0.667	S	S	*	*			trans	-141.2	147	-179.5	-64.6	-173.3	0	0	0	114
978	S	28.5	Very low	29.5	Very low	66 Å²	66	132.7 Å²	132.7	46%	0.462	67%	0.672	S	S	.	*			trans	-91.8	175.5	-165.8	32.8	0	0	0	0	117.2	L1011 L1012 N1013	S978-L1011 CarbonylContact C-O 3.56Å; S978-L1011 WeakPolarHBondContact CA-O 3.47Å; S978-L1012 VanDerWaalsContact C-N 3.29Å; S978-L1012 PolarHBondContact O-N 3.35Å; S978-N1013 PolarHBondContact O-ND2 3.11Å
979	N	31	Very low	29.7	Very low	106 Å²	106	133.1 Å²	133.1	57%	0.567	67%	0.674	S	S	*	*			cis	-149.1	103.9	-21	-90.1	-2	0	0	0	114.7	L1011 L1012	N979-L1011 VanDerWaalsContact CA-C 3.49Å; N979-L1011 VanDerWaalsContact CA-CD2 3.42Å; N979-L1011 HydrophobicContact CB-CD2 3.52Å; N979-L1011 VanDerWaalsContact CG-CD2 3.49Å; N979-L1011 WeakPolarHBondContact OD1-CD2 3.42Å; N979-L1012 VanDerWaalsContact C-CB 3.46Å; N979-L1012 VanDerWaalsContact N-N 3.14Å; N979-L1012 VanDerWaalsContact O-CD1 3.31Å; N979-L1012 WeakPolarHBondContact O-CD1 3.36Å; N979-L1012 WeakPolarHBondContact O-CG 3.31Å
980	D	32.1	Very low	29.8	Very low	54 Å²	54	133.5 Å²	133.5	29%	0.289	67%	0.674	S	S	.	*			trans	4.6	-172.6	169.8	-108.8	-58.8	0	0	0	126.1	N1010 L1011 L1012	D980-N1010 WeakPolarHBondContact OD2-CA 3.3Å; D980-N1010 WeakPolarHBondContact OD2-CB 3.43Å; D980-N1010 PolarHBondContact OD2-ND2 3.19Å; D980-L1011 HydrophobicContact CB-CB 4.33Å; D980-L1011 HydrophobicContact CB-CD2 3.89Å; D980-L1011 HydrophobicContact CB-CG 3.9Å; D980-L1011 WeakPolarHBondContact OD2-CA 3.44Å; D980-L1011 PolarHBondContact OD2-N 3.26Å; D980-L1012 VanDerWaalsContact N-CG 3.33Å
981	H	33.1	Very low	30.1	Very low	111 Å²	111	135.1 Å²	135.1	51%	0.514	68%	0.678	S	S	.	*			cis	-165	153.6	14.8	-128.1	-1.6	0	0	0	117.9	N1010	H981-N1010 PolarHBondContact CE1-ND2 3.07Å; H981-N1010 PolarHBondContact CE1-OD1 3.48Å; H981-N1010 PolarHBondContact NE2-ND2 3.13Å; H981-N1010 VanDerWaalsContact NE2-ND2 3.11Å
982	N	33.1	Very low	30	Very low	116 Å²	116	134.4 Å²	134.4	62%	0.62	68%	0.679	S	S	*	*			trans	67.6	171.5	142	-67.9	-13.7	0	0	0	124.4
983	Q	31.9	Very low	30.2	Very low	146 Å²	146	130.2 Å²	130.2	68%	0.682	67%	0.672	S	S	*	*			cis	178.2	170.7	-37.8	-161.6	-171.9	-2.3	0	0	111.3
984	L	27.8	Very low	30.4	Very low	130 Å²	130	127 Å²	127	68%	0.681	67%	0.669	S	S	*	*			trans	79.8	157.2	160	-52.2	162.5	0	0	0	117.2
985	D	30.7	Very low	30.4	Very low	131 Å²	131	125.1 Å²	125.1	70%	0.701	67%	0.665	S	S	*	*			cis	-175.2	175.7	-16	-101.7	8.7	0	0	0	108.5
986	T	30.9	Very low	30.5	Very low	125 Å²	125	122.6 Å²	122.6	77%	0.767	65%	0.654	S	S	*	*			cis	-159.6	173	-14.3	23.3	0	0	0	0	110.5
987	P	39.7	Very low	30.8	Very low	111 Å²	111	124.6 Å²	124.6	72%	0.721	65%	0.652	S	S	*	*			trans	-125.3	-175.9	-167.1	44.6	-32.6	0	0	0	118.3
988	H	35.7	Very low	30.8	Very low	177 Å²	177	122.3 Å²	122.3	82%	0.819	65%	0.648	S	S	*	*			trans	-154	169.5	-179.6	-90.3	27.1	0	0	0	108.5
989	I	31.3	Very low	30.7	Very low	136 Å²	136	125 Å²	125	70%	0.697	66%	0.658	S	S	*	*			cis	-174.6	157.4	-14.1	-103.6	178.6	0	0	0	105.9
990	I	28.1	Very low	30.5	Very low	130 Å²	130	125.5 Å²	125.5	67%	0.667	66%	0.657	S	S	*	*			cis	-166.3	174.4	-29.7	-154.1	169.6	0	0	0	108.6
991	H	33.2	Very low	30.4	Very low	154 Å²	154	132.9 Å²	132.9	71%	0.713	68%	0.682	S	S	*	*			trans	66.8	137.1	177.7	-69.9	-42.5	0	0	0	117.1
992	N	28.3	Very low	29.9	Very low	132 Å²	132	134 Å²	134	71%	0.706	69%	0.691	S	S	*	*			cis	-167.2	169.8	-5.5	-120.9	23.1	0	0	0	107.7
993	C	30.8	Very low	30.5	Very low	105 Å²	105	133.9 Å²	133.9	71%	0.709	70%	0.696	S	S	*	*			cis	-157.6	-147	-1.1	-155.2	0	0	0	0	110.6
994	S	28.8	Very low	30.3	Very low	91 Å²	91	131.6 Å²	131.6	64%	0.636	69%	0.694	S	S	*	*			trans	-38.2	149.1	165.4	54.9	0	0	0	0	117.1
995	D	27.5	Very low	30.2	Very low	125 Å²	125	131.2 Å²	131.2	67%	0.668	69%	0.693	S	S	*	*			cis	-172.3	169.8	12.4	-118.4	2.3	0	0	0	109.9
996	K	27.4	Very low	29.9	Very low	129 Å²	129	134 Å²	134	56%	0.561	70%	0.695	S	S	*	*			cis	-162.8	148.7	-11.9	-144.3	170.8	-155.1	75.8	0	109.2
997	Y	30	Very low	29.7	Very low	199 Å²	199	134 Å²	134	78%	0.78	69%	0.689	S	S	*	*			trans	61.7	152.2	171.6	-56.5	-59.6	0	0	0	116.6
998	S	26.6	Very low	29	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	69%	0.688	S	S	*	*			cis	-173.1	149.7	-15.5	47.7	0	0	0	0	107.4
999	N	27.4	Very low	28.6	Very low	122 Å²	122	134.9 Å²	134.9	65%	0.652	68%	0.681	S	S	*	*			cis	-159	163.4	-0.7	-104.7	-0.1	0	0	0	110.3
1000	H	26.5	Very low	28.3	Very low	118 Å²	118	132.4 Å²	132.4	55%	0.546	67%	0.669	S	S	.	*			trans	11.6	147.3	156.3	-38	-56	0	0	0	121.4
1001	Y	29.4	Very low	28.2	Very low	209 Å²	209	129.4 Å²	129.4	82%	0.82	65%	0.654	S	S	*	*			cis	-135.4	141.4	17.9	-70.4	-101.6	0	0	0	109.6
1002	L	23.8	Very low	27.8	Very low	135 Å²	135	125.9 Å²	125.9	71%	0.707	64%	0.64	S	S	*	*				68.6	124.5	51.6	-76	163.5	0	0	0	114.8
1003	P	44.7	Very low	27.7	Very low	113 Å²	113	124.5 Å²	124.5	73%	0.734	63%	0.633	S	S	*	*			trans	-79.2	167.4	174.7	38.3	-37.4	0	0	0	110.4
1004	P	27.2	Very low	27.5	Very low	97 Å²	97	123.8 Å²	123.8	63%	0.63	63%	0.626	S	S	*	*				-156.1	-172.8	99.1	41.7	-23.8	0	0	0	114.8
1005	N	25.8	Very low	27.3	Very low	123 Å²	123	126.2 Å²	126.2	66%	0.658	63%	0.63	S	S	*	*			trans	69.7	157.8	149.7	-66.2	-11.7	0	0	0	117.5
1006	Y	25.4	Very low	27.1	Very low	188 Å²	188	126.9 Å²	126.9	74%	0.737	63%	0.634	S	S	*	*			cis	-159.2	156.6	-5.1	-123.2	-169	0	0	0	110.8
1007	I	27	Very low	27	Very low	125 Å²	125	126.7 Å²	126.7	64%	0.641	64%	0.638	S	S	*	*			trans	69.8	111.1	143.1	-68.6	175.8	0	0	0	120
1008	K	25.1	Very low	26.7	Very low	164 Å²	164	125.1 Å²	125.1	71%	0.713	64%	0.643	S	S	*	*			trans	74	115.3	140.7	-74.1	177.5	175.5	-176.9	0	123
1009	Q	26.2	Very low	26.6	Very low	143 Å²	143	124.9 Å²	124.9	67%	0.668	64%	0.641	S	S	*	*				78.5	122.3	121.6	-65.9	172.5	-46.5	0	0	119.3
1010	N	25.7	Very low	26.5	Very low	85 Å²	85	127.7 Å²	127.7	46%	0.455	66%	0.656	S	S	.	*			cis	177.4	-137	-20.7	-104.4	28	0	0	0	105.5	D980 H981	D980-N1010 WeakPolarHBondContact OD2-CA 3.3Å; D980-N1010 WeakPolarHBondContact OD2-CB 3.43Å; D980-N1010 PolarHBondContact OD2-ND2 3.19Å; H981-N1010 PolarHBondContact CE1-ND2 3.07Å; H981-N1010 PolarHBondContact CE1-OD1 3.48Å; H981-N1010 PolarHBondContact NE2-ND2 3.13Å; H981-N1010 VanDerWaalsContact NE2-ND2 3.11Å
1011	L	25.2	Very low	26.4	Very low	67 Å²	67	130.6 Å²	130.6	35%	0.351	67%	0.67	S	S	.	*			cis	-177.6	110.2	-4.8	-112.2	146.1	0	0	0	104.4	S978 N979 D980	S978-L1011 CarbonylContact C-O 3.56Å; S978-L1011 WeakPolarHBondContact CA-O 3.47Å; N979-L1011 VanDerWaalsContact CA-C 3.49Å; N979-L1011 VanDerWaalsContact CA-CD2 3.42Å; N979-L1011 HydrophobicContact CB-CD2 3.52Å; N979-L1011 VanDerWaalsContact CG-CD2 3.49Å; N979-L1011 WeakPolarHBondContact OD1-CD2 3.42Å; D980-L1011 HydrophobicContact CB-CB 4.33Å; D980-L1011 HydrophobicContact CB-CD2 3.89Å; D980-L1011 HydrophobicContact CB-CG 3.9Å; D980-L1011 WeakPolarHBondContact OD2-CA 3.44Å; D980-L1011 PolarHBondContact OD2-N 3.26Å
1012	L	25.6	Very low	26	Very low	80 Å²	80	125.1 Å²	125.1	42%	0.419	66%	0.662	S	S	.	*			cis	-97.3	-130.1	-19.8	-128.7	172.3	0	0	0	107.6	S978 N979 D980 T1014	S978-L1012 VanDerWaalsContact C-N 3.29Å; S978-L1012 PolarHBondContact O-N 3.35Å; N979-L1012 VanDerWaalsContact C-CB 3.46Å; N979-L1012 VanDerWaalsContact N-N 3.14Å; N979-L1012 VanDerWaalsContact O-CD1 3.31Å; N979-L1012 WeakPolarHBondContact O-CD1 3.36Å; N979-L1012 WeakPolarHBondContact O-CG 3.31Å; D980-L1012 VanDerWaalsContact N-CG 3.33Å; L1012-T1014 HydrophobicContact CD2-CG2 3.39Å
1013	N	26	Very low	25.9	Very low	102 Å²	102	125.6 Å²	125.6	55%	0.545	66%	0.664	S	S	.	*			cis	-148.7	151.9	2.2	-68.8	-96.4	0	0	0	107.2	S978	S978-N1013 PolarHBondContact O-ND2 3.11Å
1014	T	25.9	Very low	24.9	Very low	91 Å²	91	128.8 Å²	128.8	56%	0.558	67%	0.669	S	S	*	*			cis	81	135.1	19.2	71.7	0	0	0	0	116.8	L1012	L1012-T1014 HydrophobicContact CD2-CG2 3.39Å
1015	I	25.3	Very low	24.6	Very low	142 Å²	142	129.4 Å²	129.4	73%	0.728	68%	0.675	S	S	*	*			cis	-128.8	127.8	16.3	-60.2	163.2	0	0	0	106.5	L1017	I1015-L1017 HydrophobicContact CG2-CG 4.48Å
1016	D	23.6	Very low	24.6	Very low	139 Å²	139	132 Å²	132	74%	0.743	69%	0.687	S	S	*	*				77.3	166.9	53.1	-164.8	28.4	0	0	0	114.2
1017	L	24.4	Very low	24.5	Very low	124 Å²	124	131.6 Å²	131.6	65%	0.649	69%	0.69	S	S	*	*			trans	84	84.3	178	-57.6	176.2	0	0	0	118.1	I1015 S1019	I1015-L1017 HydrophobicContact CG2-CG 4.48Å; L1017-S1019 PolarHBondContact O-N 3.31Å
1018	N	23.5	Very low	24.6	Very low	167 Å²	167	134 Å²	134	89%	0.893	70%	0.698	S	S	*	*			trans	-39.8	125.7	133.7	-78.7	-55	0	0	0	110.5
1019	S	25.7	Very low	24.7	Very low	89 Å²	89	131.8 Å²	131.8	62%	0.622	70%	0.699	S	S	*	*			trans	-144.7	102.5	171.9	46.6	0	0	0	0	112.8	L1017 Q1021	L1017-S1019 PolarHBondContact O-N 3.31Å; S1019-Q1021 PolarHBondContact O-N 3.5Å
1020	N	23.8	Very low	24.7	Very low	180 Å²	180	133.2 Å²	133.2	96%	0.963	70%	0.702	S	S	*	*			trans	-70.7	82.4	160.6	-86.8	-41.1	0	0	0	108.9
1021	Q	25	Very low	24.7	Very low	179 Å²	179	135.8 Å²	135.8	84%	0.836	72%	0.716	S	S	*	*			trans	-122.4	107.9	171.4	-72.4	-164.1	-6.5	0	0	111.8	S1019	S1019-Q1021 PolarHBondContact O-N 3.5Å
1022	S	21.2	Very low	24.9	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	74%	0.737	S	S	*	*			trans	-80.8	160.5	167.4	57.5	0	0	0	0	111.5
1023	I	21.7	Very low	24.9	Very low	146 Å²	146	142.1 Å²	142.1	75%	0.749	76%	0.756	S	S	*	*			trans	77.4	136.4	165	-55.7	153.5	0	0	0	111.8
1024	Q	22.8	Very low	24.8	Very low	180 Å²	180	143 Å²	143	84%	0.841	77%	0.769	S	S	*	*			cis	-144.3	170.8	13.9	-147.3	145.7	8.4	0	0	113.6
1025	C	21.5	Very low	24.8	Very low	110 Å²	110	146 Å²	146	74%	0.743	78%	0.781	S	S	*	*			trans	-90.9	147.2	-178.1	-46	0	0	0	0	114.8
1026	L	25.5	Very low	24.8	Very low	176 Å²	176	147.2 Å²	147.2	92%	0.921	78%	0.784	S	S	*	*			trans	-156	80.9	149.3	-111.5	155.7	0	0	0	109.2
1027	K	24.9	Very low	24.8	Very low	180 Å²	180	147 Å²	147	78%	0.783	79%	0.787	S	S	*	*				77.5	80.5	62.6	-167	-171.3	179.8	178.4	0	114.1
1028	Q	27.8	Very low	24.8	Very low	177 Å²	177	150.4 Å²	150.4	83%	0.827	79%	0.793	S	S	*	*			trans	-167.7	98.6	138.4	-104.7	161.2	23.6	0	0	110
1029	T	27.4	Very low	24.7	Very low	117 Å²	117	149.2 Å²	149.2	72%	0.718	79%	0.786	S	S	*	*				65	128.8	107.7	58.8	0	0	0	0	115.9
1030	K	25.7	Very low	24.6	Very low	172 Å²	172	152.2 Å²	152.2	75%	0.748	79%	0.793	S	S	*	*			cis	-163.1	156.2	-1.1	-117	-176.6	-177.5	-169.8	0	108
1031	D	26.9	Very low	24.6	Very low	139 Å²	139	150.9 Å²	150.9	74%	0.743	79%	0.785	S	S	*	*			trans	64.9	133	173.1	-40.5	-26.4	0	0	0	114
1032	T	29.3	Very low	24.4	Very low	128 Å²	128	147.1 Å²	147.1	79%	0.785	78%	0.778	S	S	*	*			cis	-134.1	162.8	5.6	50	0	0	0	0	111.3
1033	N	26	Very low	24.7	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	78%	0.783	S	S	*	*			trans	-61.8	148.5	179.9	-67.7	8.2	0	0	0	113.7
1034	C	23.8	Very low	24.9	Very low	121 Å²	121	152.1 Å²	152.1	82%	0.818	79%	0.786	S	S	*	*			trans	-118.9	114.9	164.5	-61.8	0	0	0	0	108.7
1035	D	24.1	Very low	25	Very low	154 Å²	154	152.2 Å²	152.2	82%	0.824	79%	0.786	S	S	*	*			trans	-147.1	78.6	170.2	-92	-49.2	0	0	0	110.1
1036	Q	25.9	Very low	25.1	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	78%	0.779	S	S	*	*			trans	-173.1	127.7	138.6	-104.5	174.7	15.7	0	0	109.6
1037	V	23.2	Very low	25	Very low	134 Å²	134	149.5 Å²	149.5	81%	0.812	78%	0.775	S	S	*	*			trans	-96.5	114	-179.7	175.4	0	0	0	0	109.1	L1039	V1037-L1039 PolarHBondContact O-N 3.45Å; V1037-L1039 VanDerWaalsContact O-N 3.1Å
1038	Y	24.4	Very low	25	Very low	196 Å²	196	145.7 Å²	145.7	77%	0.769	78%	0.777	S	S	*	*			trans	-77.9	91.4	172.8	-71.8	-81.7	0	0	0	110.9	I1040	Y1038-I1040 PolarHBondContact O-N 2.99Å; Y1038-I1040 VanDerWaalsContact O-N 3.16Å
1039	L	22.2	Very low	24.7	Very low	142 Å²	142	147.7 Å²	147.7	74%	0.743	78%	0.778	S	S	*	*			trans	-78.9	88.3	165.2	-107.4	166.5	0	0	0	109.4	V1037 L1041	V1037-L1039 PolarHBondContact O-N 3.45Å; V1037-L1039 VanDerWaalsContact O-N 3.1Å; L1039-L1041 HydrophobicContact CD2-CD1 4.47Å; L1039-L1041 PolarHBondContact O-N 3Å; L1039-L1041 VanDerWaalsContact O-N 3.11Å
1040	I	22.6	Very low	24.6	Very low	152 Å²	152	153.4 Å²	153.4	78%	0.779	79%	0.788	S	S	*	*			trans	-76.3	96	175.5	-56.7	175.6	0	0	0	108.5	Y1038	Y1038-I1040 PolarHBondContact O-N 2.99Å; Y1038-I1040 VanDerWaalsContact O-N 3.16Å
1041	L	23.8	Very low	24.5	Very low	152 Å²	152	149.7 Å²	149.7	80%	0.796	78%	0.784	S	S	*	*			trans	-109.4	100.6	170.2	-83.9	166.8	0	0	0	110	L1039 N1043	L1039-L1041 HydrophobicContact CD2-CD1 4.47Å; L1039-L1041 PolarHBondContact O-N 3Å; L1039-L1041 VanDerWaalsContact O-N 3.11Å; L1041-N1043 PolarHBondContact O-N 3.36Å
1042	S	22.7	Very low	24.3	Very low	99 Å²	99	150.2 Å²	150.2	69%	0.692	79%	0.786	S	S	*	*			trans	-77.5	110.5	168.7	53.9	0	0	0	0	110.3
1043	N	26.7	Very low	24.1	Very low	142 Å²	142	150.2 Å²	150.2	76%	0.759	78%	0.781	S	S	*	*				-178.4	132.7	124.7	-89.4	-7	0	0	0	111	L1041	L1041-N1043 PolarHBondContact O-N 3.36Å
1044	Y	25	Very low	24.1	Very low	203 Å²	203	148.5 Å²	148.5	80%	0.796	78%	0.776	S	S	*	*			trans	-82.7	117.1	160	-86.5	-106	0	0	0	108.1
1045	E	26.1	Very low	24	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	77%	0.77	S	S	*	*			trans	-129.7	139.3	157.4	-73.4	-159.4	146.9	0	0	109.9
1046	N	24	Very low	24.2	Very low	110 Å²	110	149.7 Å²	149.7	59%	0.588	77%	0.772	S	S	*	*			trans	-87	145.8	-174.8	-65	-33.6	0	0	0	111.5	H430	H430-N1046 PolarHBondContact CE1-OD1 3.42Å
1047	S	22.6	Very low	24.2	Very low	120 Å²	120	148.4 Å²	148.4	84%	0.839	77%	0.771	S	S	*	*			trans	55.9	100.8	154.9	61.1	0	0	0	0	118.5
1048	A	24.7	Very low	24.2	Very low	100 Å²	100	151.4 Å²	151.4	83%	0.826	77%	0.769	S	S	*	*			trans	-139.5	140.5	148.4	0	0	0	0	0	110.3
1049	Y	22.4	Very low	24.2	Very low	218 Å²	218	150 Å²	150	86%	0.855	77%	0.769	S	S	*	*			trans	-71.6	151.3	165.3	-71.6	-115.6	0	0	0	108.9
1050	Y	25.6	Very low	24.2	Very low	238 Å²	238	149.9 Å²	149.9	93%	0.933	77%	0.774	S	S	*	*				-157.9	144.7	122.5	-97.5	-63.8	0	0	0	111.3
1051	S	22	Very low	24.4	Very low	93 Å²	93	148.4 Å²	148.4	65%	0.65	77%	0.767	S	S	*	*			trans	-98.6	138.3	164.3	178	0	0	0	0	108.2
1052	L	24.3	Very low	24.5	Very low	150 Å²	150	147.8 Å²	147.8	79%	0.785	76%	0.764	S	S	*	*				-171.6	123.1	120.2	-121.2	77.2	0	0	0	112.1
1053	D	23.7	Very low	24.8	Very low	128 Å²	128	151 Å²	151	68%	0.684	77%	0.766	S	S	*	*				46.4	151.1	129.4	-85.1	-53.3	0	0	0	126.5
1054	T	25.3	Very low	24.9	Very low	117 Å²	117	151.6 Å²	151.6	72%	0.718	76%	0.764	S	S	*	*			trans	72.1	90.9	150.2	52.4	0	0	0	0	121.7
1055	S	23.5	Very low	25.1	Very low	97 Å²	97	148.7 Å²	148.7	68%	0.678	76%	0.762	S	S	*	*				44.8	110.7	120.2	64.3	0	0	0	0	121.4
1056	K	27.9	Very low	25.4	Very low	202 Å²	202	148.9 Å²	148.9	88%	0.878	76%	0.76	S	S	*	*			trans	-164.5	105.1	133.8	-96.5	136.1	-172.6	172.3	0	108.2
1057	N	25.6	Very low	25.8	Very low	141 Å²	141	150.1 Å²	150.1	75%	0.754	77%	0.767	S	S	*	*				58.9	109.6	88.5	-82.2	-6.8	0	0	0	115.5
1058	Y	22.4	Very low	26	Very low	197 Å²	197	148.7 Å²	148.7	77%	0.773	76%	0.762	S	S	*	*			trans	25	128.1	147.2	-61.8	-89.9	0	0	0	120.2
1059	Q	24.7	Very low	26.2	Very low	166 Å²	166	153.6 Å²	153.6	78%	0.776	77%	0.765	S	S	*	*				-160.5	124.5	102.6	-107	170.3	22	0	0	112.7	I1061	Q1059-I1061 HydrophobicContact CB-CG1 4.35Å
1060	V	22.1	Very low	26.4	Very low	140 Å²	140	150 Å²	150	85%	0.848	76%	0.761	S	S	*	*			trans	-90.1	129.2	158	174.2	0	0	0	0	106.6
1061	I	26.6	Very low	26.5	Very low	121 Å²	121	146.9 Å²	146.9	62%	0.621	76%	0.757	S	S	*	*			trans	-121.3	98.5	175.2	-59.1	-178	0	0	0	109	Q1059 K1063	Q1059-I1061 HydrophobicContact CB-CG1 4.35Å; I1061-K1063 HydrophobicContact CG2-CG 4.43Å
1062	D	25.8	Very low	26.8	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	76%	0.76	S	S	*	*			trans	-70.7	140.6	159.9	168.9	31.2	0	0	0	109.8	Q1064	D1062-Q1064 PolarHBondContact OD1-N 3.19Å
1063	K	28.9	Very low	27	Very low	167 Å²	167	148.4 Å²	148.4	73%	0.726	75%	0.753	S	S	*	*			trans	-139	100.5	158.7	-83.9	-164.6	175.9	175.1	0	113.5	I1061	I1061-K1063 HydrophobicContact CG2-CG 4.43Å
1064	Q	29.6	Very low	27.1	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.724	75%	0.75	S	S	*	*				87.2	81.8	127.6	-63.9	-179.9	-19.8	0	0	119	D1062	D1062-Q1064 PolarHBondContact OD1-N 3.19Å
1065	N	30.1	Very low	27.2	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	76%	0.755	S	S	*	*				41.2	126.5	98	-174.3	4.2	0	0	0	118.5
1066	K	31.1	Very low	27.3	Very low	185 Å²	185	152.2 Å²	152.2	80%	0.804	76%	0.76	S	S	*	*			trans	-156.9	119.9	143.6	-117.8	166.7	-173.2	173.2	0	115
1067	N	32.9	Very low	27.5	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	75%	0.753	S	S	*	*			trans	64.5	114.9	153.8	-53	-9.9	0	0	0	117.4
1068	A	26.7	Very low	27.5	Very low	89 Å²	89	148.1 Å²	148.1	74%	0.736	75%	0.751	S	S	*	*			cis	94	115.4	22.7	0	0	0	0	0	116.8
1069	K	28.5	Very low	27.9	Very low	204 Å²	204	148.1 Å²	148.1	89%	0.887	76%	0.755	S	S	*	*			trans	175.3	143.5	153.4	-101	178.7	-178.6	-175	0	106.7
1070	N	27	Very low	28.1	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	76%	0.759	S	S	*	*			cis	169.6	156.1	-34.7	-109.3	28.1	0	0	0	105
1071	M	27.5	Very low	28.4	Very low	172 Å²	172	149.4 Å²	149.4	85%	0.847	75%	0.753	S	S	*	*			trans	79.1	145.9	173.9	-50	175.9	70.5	0	0	117.5
1072	Q	29.2	Very low	28.5	Very low	154 Å²	154	149.5 Å²	149.5	72%	0.72	76%	0.755	S	S	*	*				-170	147.8	-53	-116.6	-175.5	-77.6	0	0	110.7
1073	N	28	Very low	28.8	Very low	121 Å²	121	150.4 Å²	150.4	65%	0.647	76%	0.76	S	S	*	*			trans	70.3	125	148.9	-77.7	42.6	0	0	0	123.2
1074	T	24.9	Very low	28.8	Very low	101 Å²	101	149 Å²	149	62%	0.62	76%	0.76	S	S	*	*			trans	66.3	113.3	134	58	0	0	0	0	121.7
1075	E	27.5	Very low	28.7	Very low	173 Å²	173	148 Å²	148	81%	0.808	76%	0.759	S	S	*	*				51.3	117.7	123.5	-60.9	160.8	138.2	0	0	118.8
1076	D	27.2	Very low	28.6	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	75%	0.751	S	S	*	*				-171.9	165	94.8	-132	-23.9	0	0	0	115.8
1077	I	30.5	Very low	28.4	Very low	142 Å²	142	142.3 Å²	142.3	73%	0.728	74%	0.741	S	S	*	*			trans	61.3	115	153.9	-65	156.2	0	0	0	121.4
1078	T	27.4	Very low	28.1	Very low	116 Å²	116	143.3 Å²	143.3	71%	0.712	74%	0.739	S	S	*	*			trans	-54	151.9	166	56.1	0	0	0	0	117.8
1079	K	29.6	Very low	28	Very low	197 Å²	197	146.2 Å²	146.2	86%	0.857	74%	0.737	S	S	*	*				178	158.4	114.4	-99.9	168.1	-176.6	176.4	0	114.5
1080	Q	30.1	Very low	27.8	Very low	186 Å²	186	146.7 Å²	146.7	87%	0.869	74%	0.735	S	S	*	*			trans	63.7	138.7	-177.7	-61.8	-172.5	-90.5	0	0	116.5
1081	M	27	Very low	27.6	Very low	146 Å²	146	144.2 Å²	144.2	72%	0.719	73%	0.734	S	S	*	*			cis	-175.8	136.3	-43.8	-111.1	172.9	79.1	0	0	106
1082	D	28.7	Very low	27.4	Very low	124 Å²	124	141.5 Å²	141.5	66%	0.663	73%	0.727	S	S	*	*			trans	55.7	122.4	156.5	-40.8	-12.3	0	0	0	117.4
1083	D	32.8	Very low	27.1	Very low	158 Å²	158	142.4 Å²	142.4	85%	0.845	73%	0.733	S	S	*	*			cis	-133.3	155.9	7.8	-91.7	-38.5	0	0	0	113.5
1084	D	28.4	Very low	26.9	Very low	137 Å²	137	142.9 Å²	142.9	73%	0.733	74%	0.741	S	S	*	*			trans	-43	132.8	-171.2	-82.8	-8.1	0	0	0	117.4
1085	L	27.8	Very low	27	Very low	133 Å²	133	143.4 Å²	143.4	70%	0.696	75%	0.746	S	S	*	*				71.4	104.3	73.8	-97.5	87.6	0	0	0	113
1086	T	27.1	Very low	26.9	Very low	99 Å²	99	144 Å²	144	61%	0.607	75%	0.748	S	S	*	*				92.3	159.2	100.5	59.4	0	0	0	0	114.4
1087	D	28.2	Very low	26.8	Very low	109 Å²	109	142.9 Å²	142.9	58%	0.583	75%	0.747	S	S	*	*			cis	-145.5	177.6	-13.4	-138.6	-36.8	0	0	0	111.9	H1089	D1087-H1089 IonicContact OD1-CE1 3.45Å
1088	K	25.4	Very low	26.5	Very low	159 Å²	159	142.6 Å²	142.6	69%	0.691	75%	0.746	S	S	*	*			trans	-65.5	168.2	155.3	-54.3	143.3	-175.2	161.8	0	110.1
1089	H	26.1	Very low	26.3	Very low	150 Å²	150	147 Å²	147	69%	0.694	75%	0.75	S	S	*	*				165	161.6	112.9	-83	103.7	0	0	0	111.7	D1087	D1087-H1089 IonicContact OD1-CE1 3.45Å
1090	Y	23.6	Very low	26.1	Very low	213 Å²	213	141.6 Å²	141.6	84%	0.835	74%	0.736	S	S	*	*			trans	-90.4	138.4	-162.4	-53.9	-104.9	0	0	0	113.9
1091	A	23.7	Very low	26	Very low	91 Å²	91	140.2 Å²	140.2	75%	0.752	73%	0.73	S	S	*	*			trans	-173.3	130.9	137.8	0	0	0	0	0	107.2
1092	V	21.8	Very low	25.9	Very low	115 Å²	115	143.6 Å²	143.6	70%	0.697	74%	0.736	S	S	*	*			cis	77	137.6	38.9	-174.4	0	0	0	0	112.6
1093	M	23.2	Very low	25.9	Very low	174 Å²	174	145.6 Å²	145.6	86%	0.857	75%	0.746	S	S	*	*			trans	76.2	138.7	-169.2	-57.7	-174	174.4	0	0	114.7
1094	T	23.5	Very low	25.5	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	75%	0.746	S	S	*	*			cis	177.4	161.5	-35.3	19	0	0	0	0	105
1095	P	28.2	Very low	25.5	Very low	112 Å²	112	144.8 Å²	144.8	73%	0.727	75%	0.751	S	S	*	*			trans	-101.6	140.8	-164.8	37	-32.7	0	0	0	115.3
1096	E	25.3	Very low	25.4	Very low	185 Å²	185	144 Å²	144	86%	0.864	75%	0.747	S	S	*	*			trans	-169.2	127.6	153	-104.2	151.5	-155.9	0	0	106.8
1097	V	24.6	Very low	25.3	Very low	125 Å²	125	146.8 Å²	146.8	76%	0.758	75%	0.753	S	S	*	*				96.2	142	64.1	161.2	0	0	0	0	112.5
1098	L	24.4	Very low	25.3	Very low	135 Å²	135	150.3 Å²	150.3	71%	0.707	77%	0.766	S	S	*	*			trans	82.4	123.7	173.5	-74.1	155.8	0	0	0	120.9
1099	R	23.5	Very low	25.2	Very low	210 Å²	210	149.2 Å²	149.2	79%	0.792	77%	0.773	S	S	*	*			trans	67.1	130.2	147.3	-71.3	-173.2	168.1	124.2	-0.3	117.8
1100	S	23.9	Very low	25.1	Very low	82 Å²	82	150.5 Å²	150.5	57%	0.573	78%	0.781	S	S	*	*				68.8	137.5	62.8	82.9	0	0	0	0	112.6
1101	E	28	Very low	25	Very low	158 Å²	158	147.4 Å²	147.4	74%	0.738	78%	0.777	S	S	*	*			cis	-128.5	174.6	21.6	-100.1	100.1	-112.6	0	0	116.2
1102	Y	25.9	Very low	25	Very low	217 Å²	217	153 Å²	153	85%	0.851	79%	0.785	S	S	*	*			trans	-19.7	141.7	149.9	-71.4	-103	0	0	0	117.3
1103	L	28	Very low	25.1	Very low	165 Å²	165	156.5 Å²	156.5	86%	0.864	79%	0.787	S	S	*	*				-174	150.7	85.5	-153.1	69.3	0	0	0	112.3
1104	D	24.7	Very low	25.2	Very low	157 Å²	157	155 Å²	155	84%	0.84	79%	0.788	S	S	*	*			trans	-79.9	146.9	169.4	-89.7	-57.1	0	0	0	112.4
1105	S	29.5	Very low	25.2	Very low	121 Å²	121	154.4 Å²	154.4	85%	0.846	78%	0.779	S	S	*	*			trans	-155.5	150.6	147.7	57.1	0	0	0	0	112.1
1106	L	24.6	Very low	25.2	Very low	118 Å²	118	157.3 Å²	157.3	62%	0.618	79%	0.788	S	S	*	*			trans	-96.6	164.3	-170.8	-94.8	126.1	0	0	0	113.8	Y1135	L1106-Y1135 HydrophobicContact CD2-CD1 4.23Å; L1106-Y1135 HydrophobicContact CD2-CD2 4.41Å; L1106-Y1135 HydrophobicContact CD2-CE1 3.98Å; L1106-Y1135 HydrophobicContact CD2-CE2 4.18Å; L1106-Y1135 HydrophobicContact CD2-CG 4.46Å
1107	H	25.6	Very low	25.4	Very low	156 Å²	156	154.2 Å²	154.2	72%	0.722	77%	0.774	S	S	*	*			trans	71.9	123.3	162	-64.9	-5.6	0	0	0	118.3
1108	Q	27.9	Very low	25.8	Very low	183 Å²	183	153.7 Å²	153.7	86%	0.855	77%	0.773	S	S	*	*				-157.8	143.9	104	-105.8	172.7	33.2	0	0	111.8
1109	T	22.5	Very low	26.1	Very low	137 Å²	137	155.5 Å²	155.5	84%	0.84	78%	0.775	S	S	*	*			trans	-104.3	130	168	33.6	0	0	0	0	109.4
1110	M	24.3	Very low	26.4	Very low	176 Å²	176	150.9 Å²	150.9	87%	0.867	78%	0.776	S	S	*	*			trans	-143.2	150.9	159.8	-89.4	-149.2	-76.5	0	0	111.2
1111	I	22.8	Very low	26.5	Very low	148 Å²	148	153.6 Å²	153.6	76%	0.759	78%	0.782	S	S	*	*			trans	-110.8	136.8	-170.7	-61	166.1	0	0	0	109.2	Y1113	I1111-Y1113 HydrophobicContact CG2-CD2 4.22Å; I1111-Y1113 HydrophobicContact CG2-CE2 4.34Å
1112	K	23.4	Very low	26.5	Very low	209 Å²	209	153 Å²	153	91%	0.909	79%	0.789	S	S	*	*			trans	-152	137.5	146.5	-120.9	171.7	-175.5	178.1	0	112.2
1113	Y	23	Very low	26.6	Very low	188 Å²	188	146.9 Å²	146.9	74%	0.737	78%	0.776	S	S	*	*			trans	-89.4	155	175.8	-80.6	-103.2	0	0	0	111.2	I1111 L1115	I1111-Y1113 HydrophobicContact CG2-CD2 4.22Å; I1111-Y1113 HydrophobicContact CG2-CE2 4.34Å; Y1113-L1115 HydrophobicContact CD1-CD1 3.81Å; Y1113-L1115 HydrophobicContact CE1-CD1 4.29Å
1114	T	25.5	Very low	26.6	Very low	144 Å²	144	144.4 Å²	144.4	88%	0.883	77%	0.771	S	S	*	*				-150.9	128.5	127.2	24.5	0	0	0	0	108.9
1115	L	24.1	Very low	26.8	Very low	117 Å²	117	144.1 Å²	144.1	61%	0.613	77%	0.77	S	S	*	*			trans	-88	161	165	-69.7	93.7	0	0	0	109.7	Y1113	Y1113-L1115 HydrophobicContact CD1-CD1 3.81Å; Y1113-L1115 HydrophobicContact CE1-CD1 4.29Å
1116	N	28.7	Very low	26.8	Very low	172 Å²	172	143.8 Å²	143.8	92%	0.92	77%	0.766	S	S	*	*				-151.8	133.2	120.6	-102.1	-28.2	0	0	0	113
1117	E	29	Very low	27.1	Very low	121 Å²	121	147.1 Å²	147.1	57%	0.565	78%	0.783	S	S	*	*			trans	-76.5	178.3	168.8	-112.6	177.9	-132.4	0	0	110.4	K1119	E1117-K1119 WeakPolarHBondContact OE2-CE 3.46Å
1118	P	33.4	Very low	27.4	Very low	114 Å²	114	148 Å²	148	74%	0.74	79%	0.788	S	S	*	*			cis	-141.1	-172.7	41	27.1	-0.2	0	0	0	114.5
1119	K	29.6	Very low	27.4	Very low	172 Å²	172	144 Å²	144	75%	0.748	78%	0.777	S	S	*	*			cis	-161	-174.1	-26.9	-101.6	165.8	-175.9	166.6	0	106.5	E1117	E1117-K1119 WeakPolarHBondContact OE2-CE 3.46Å
1120	S	30.5	Very low	27.6	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	77%	0.774	S	S	*	*			cis	-143.3	157.3	15.7	51.1	0	0	0	0	112.1
1121	I	25.6	Very low	27.7	Very low	138 Å²	138	139.1 Å²	139.1	71%	0.708	77%	0.767	S	S	*	*			trans	-119.1	146.8	-165.2	-62.4	163	0	0	0	111.6	P1123	I1121-P1123 HydrophobicContact CG2-CB 4.36Å
1122	V	27.5	Very low	27.7	Very low	145 Å²	145	139 Å²	139	88%	0.879	77%	0.767	S	S	*	*			trans	-127.4	131.3	152	-177.5	0	0	0	0	107.7
1123	P	28.3	Very low	27.7	Very low	90 Å²	90	134 Å²	134	58%	0.584	75%	0.754	S	S	*	*			trans	-109.1	151.9	-162.2	39.1	-34.1	0	0	0	115.9	I1121	I1121-P1123 HydrophobicContact CG2-CB 4.36Å
1124	C	27.5	Very low	27.6	Very low	112 Å²	112	131 Å²	131	76%	0.757	75%	0.75	S	S	*	*			trans	-127.4	123.4	151.9	-81.3	0	0	0	0	108.3
1125	N	29.3	Very low	27.5	Very low	152 Å²	152	132.2 Å²	132.2	81%	0.813	74%	0.739	S	S	*	*			trans	-94.4	121.4	-172.1	-75.1	-15	0	0	0	112.8
1126	C	29.9	Very low	27.6	Very low	114 Å²	114	130.9 Å²	130.9	77%	0.77	74%	0.74	S	S	*	*			trans	-122.6	137.2	149.1	-80.1	0	0	0	0	107.9	Q1128	C1126-Q1128 PolarHBondContact O-N 3.45Å
1127	L	30.9	Very low	27.4	Very low	188 Å²	188	128.8 Å²	128.8	98%	0.984	74%	0.736	S	S	*	*			trans	-68.3	132.1	-166.2	-74.9	130.1	0	0	0	113.2
1128	Q	31.1	Very low	27.2	Very low	173 Å²	173	128.3 Å²	128.3	81%	0.808	75%	0.745	S	S	*	*			trans	-120.3	175	177.5	-110.1	-160.5	16.7	0	0	108.6	C1126	C1126-Q1128 PolarHBondContact O-N 3.45Å
1129	P	28.5	Very low	26.9	Very low	99 Å²	99	128.2 Å²	128.2	64%	0.643	74%	0.744	S	S	*	*			cis	-135.6	-144.1	-22.8	37.5	-17.3	0	0	0	110.7
1130	S	27.2	Very low	26.8	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	75%	0.748	S	S	*	*			trans	81.1	138.9	162.4	75.4	0	0	0	0	117.7
1131	S	26.4	Very low	26.7	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	76%	0.755	S	S	*	*			cis	-161.6	174.6	-16.3	51.9	0	0	0	0	112.7
1132	L	22.7	Very low	26.7	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	76%	0.761	S	S	*	*			trans	-14.8	150.7	145.3	-83.2	80.3	0	0	0	117
1133	T	23.2	Very low	26.5	Very low	103 Å²	103	131.4 Å²	131.4	63%	0.632	75%	0.753	S	S	*	*			cis	-176.1	169.8	-5.1	20.6	0	0	0	0	111.2
1134	L	21.2	Very low	26.4	Very low	125 Å²	125	131.4 Å²	131.4	65%	0.654	76%	0.755	S	S	*	*			trans	73.8	153.5	140.7	-84.4	162.4	0	0	0	121.1
1135	Y	24	Very low	26.1	Very low	169 Å²	169	133.1 Å²	133.1	66%	0.663	76%	0.763	S	S	*	*			trans	63.2	163.3	168	-58.3	-60.8	0	0	0	116.1	L1106	L1106-Y1135 HydrophobicContact CD2-CD1 4.23Å; L1106-Y1135 HydrophobicContact CD2-CD2 4.41Å; L1106-Y1135 HydrophobicContact CD2-CE1 3.98Å; L1106-Y1135 HydrophobicContact CD2-CE2 4.18Å; L1106-Y1135 HydrophobicContact CD2-CG 4.46Å
1136	S	25.9	Very low	25.9	Very low	90 Å²	90	133 Å²	133	63%	0.629	76%	0.76	S	S	*	*			cis	-145.5	162.5	-6.3	121.4	0	0	0	0	110	C1138	S1136-C1138 PolarHBondContact O-N 3.49Å; S1136-C1138 VanDerWaalsContact O-N 3.17Å
1137	P	24	Very low	25.5	Very low	127 Å²	127	132.5 Å²	132.5	83%	0.825	76%	0.758	S	S	*	*			trans	-83.1	78.7	177.5	35.3	-35.2	0	0	0	113.2
1138	C	24.2	Very low	25.3	Very low	112 Å²	112	134.1 Å²	134.1	76%	0.757	75%	0.753	S	S	*	*			trans	-156.8	144.1	159.5	-108.5	0	0	0	0	113.3	S1136	S1136-C1138 PolarHBondContact O-N 3.49Å; S1136-C1138 VanDerWaalsContact O-N 3.17Å
1139	P	27.7	Very low	25	Very low	112 Å²	112	131.2 Å²	131.2	73%	0.727	75%	0.747	S	S	*	*			trans	-90.1	124.2	179.3	34	-31.3	0	0	0	112.3
1140	N	27.9	Very low	24.8	Very low	156 Å²	156	132.4 Å²	132.4	83%	0.834	76%	0.755	S	S	*	*			trans	173.2	87.2	139.8	-91.8	-23.1	0	0	0	110.7
1141	Y	27.7	Very low	24.8	Very low	241 Å²	241	134.8 Å²	134.8	95%	0.945	76%	0.759	S	S	*	*			trans	-164.6	147.7	132.4	-112.9	-74.7	0	0	0	109.9
1142	V	25.4	Very low	24.9	Very low	136 Å²	136	137.8 Å²	137.8	82%	0.824	76%	0.759	S	S	*	*			trans	-110.4	128.9	-174.1	173.1	0	0	0	0	110
1143	S	24.1	Very low	25.2	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	76%	0.76	S	S	*	*			trans	-167.6	137.4	139.5	55.2	0	0	0	0	114.2
1144	S	25.4	Very low	25.5	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	76%	0.761	S	S	*	*			trans	49.7	89.1	146.9	60.2	0	0	0	0	119.2	I1146	S1144-I1146 PolarHBondContact O-N 3.28Å
1145	T	22.1	Very low	26	Very low	148 Å²	148	138.7 Å²	138.7	91%	0.908	77%	0.765	S	S	*	*			trans	-58.5	119	141.1	46.1	0	0	0	0	110.1
1146	I	25	Very low	26.5	Very low	149 Å²	149	137.6 Å²	137.6	76%	0.764	78%	0.776	S	S	*	*			trans	-128.9	106.1	160.2	-59.4	-178.8	0	0	0	107.8	S1144	S1144-I1146 PolarHBondContact O-N 3.28Å
1147	S	21.8	Very low	26.7	Very low	104 Å²	104	142 Å²	142	73%	0.727	79%	0.786	S	S	*	*			trans	-78	129.6	166.7	52	0	0	0	0	109.8
1148	Y	25.6	Very low	27	Very low	221 Å²	221	145.3 Å²	145.3	87%	0.867	79%	0.791	S	S	*	*			trans	-151	161.7	148.5	-116.2	-77.2	0	0	0	112.5
1149	T	24.5	Very low	27.1	Very low	112 Å²	112	146.2 Å²	146.2	69%	0.687	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-86.9	167.8	-166.1	33.1	0	0	0	0	114
1150	P	24.7	Very low	27.1	Very low	124 Å²	124	150.1 Å²	150.1	81%	0.805	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-86.4	141.6	-158.8	32.5	-35.1	0	0	0	114.8
1151	N	28.2	Very low	27	Very low	160 Å²	160	148.8 Å²	148.8	86%	0.856	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-93.3	129.6	167.7	-73.9	-18.3	0	0	0	110.8
1152	K	27.6	Very low	27	Very low	166 Å²	166	145.3 Å²	145.3	72%	0.722	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.7	142.4	171.3	-65.3	176.4	179.1	176.9	0	110.3	Y1154	K1152-Y1154 HydrophobicContact CB-CE2 3.9Å; K1152-Y1154 HydrophobicContact CD-CE1 4.48Å; K1152-Y1154 WeakPolarHBondContact CD-OH 3.25Å
1153	C	29.4	Very low	27.1	Very low	115 Å²	115	147.6 Å²	147.6	78%	0.777	80%	0.797	S	S	*	*			trans	-112.7	148.7	164.1	-63	0	0	0	0	109.5
1154	Y	29.9	Very low	27	Very low	169 Å²	169	148.7 Å²	148.7	66%	0.663	80%	0.803	S	S	*	*			trans	-130.6	155.2	-176.2	-58.9	-88.9	0	0	0	110.6	K1152	K1152-Y1154 HydrophobicContact CB-CE2 3.9Å; K1152-Y1154 HydrophobicContact CD-CE1 4.48Å; K1152-Y1154 WeakPolarHBondContact CD-OH 3.25Å
1155	C	30.7	Very low	27.3	Very low	109 Å²	109	151 Å²	151	74%	0.736	81%	0.813	S	S	*	*			trans	-142.5	151.3	169.1	-79	0	0	0	0	108.7
1156	T	34.1	Very low	27.6	Very low	145 Å²	145	152.1 Å²	152.1	89%	0.89	81%	0.808	S	S	*	*			trans	-106.5	172.3	-164.8	47.4	0	0	0	0	114.3
1157	E	30.4	Very low	27.9	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	81%	0.808	S	S	*	*			trans	-72	158.7	-167.7	-44.9	176.2	139.8	0	0	115.3
1158	Q	30.9	Very low	28.4	Very low	198 Å²	198	155.1 Å²	155.1	93%	0.925	81%	0.807	S	S	*	*				-165.5	162.5	108.4	-105.2	-177.7	6.9	0	0	112.7
1159	V	25	Very low	28.6	Very low	130 Å²	130	152.6 Å²	152.6	79%	0.788	80%	0.803	S	S	*	*			trans	-100.8	143.7	-174.7	175.3	0	0	0	0	110.9
1160	Q	29.5	Very low	28.9	Very low	194 Å²	194	155.9 Å²	155.9	91%	0.907	81%	0.811	S	S	*	*			trans	-121	140.4	158.2	-79.2	-167	-20	0	0	111.4
1161	T	24.3	Very low	28.8	Very low	129 Å²	129	155.8 Å²	155.8	79%	0.791	81%	0.812	S	S	*	*			trans	-88.6	146	-178.9	41.9	0	0	0	0	111.6
1162	I	29	Very low	28.9	Very low	168 Å²	168	155.9 Å²	155.9	86%	0.862	81%	0.812	S	S	*	*			trans	-127.4	136.2	160.6	-63	-178.2	0	0	0	107.1
1163	Q	26.6	Very low	28.8	Very low	184 Å²	184	152.4 Å²	152.4	86%	0.86	81%	0.809	S	S	*	*			trans	-80.9	147.1	-166.6	-63.6	164	-85.5	0	0	112.7
1164	C	23	Very low	28.8	Very low	125 Å²	125	154.9 Å²	154.9	85%	0.845	82%	0.815	S	S	*	*			trans	-86	150	159.8	-63	0	0	0	0	110.1
1165	T	30.4	Very low	28.6	Very low	138 Å²	138	153.2 Å²	153.2	85%	0.847	82%	0.816	S	S	*	*			trans	-116.3	140.2	159.6	51.7	0	0	0	0	109.3
1166	E	30	Very low	28.5	Very low	172 Å²	172	156.4 Å²	156.4	80%	0.804	82%	0.823	S	S	*	*			trans	-74.6	174.9	-167.7	-51.8	177.7	133.2	0	0	112.1
1167	Q	30.9	Very low	28.2	Very low	162 Å²	162	159.5 Å²	159.5	76%	0.757	82%	0.818	S	S	*	*			cis	-156.5	170.1	40.3	-69.1	-175.7	-21.8	0	0	115
1168	Q	31.8	Very low	28	Very low	154 Å²	154	161.5 Å²	161.5	72%	0.72	82%	0.819	S	S	*	*			trans	82.3	79.2	163.7	-57.7	-165	-9.7	0	0	119.7
1169	H	30.3	Very low	28.1	Very low	168 Å²	168	156.8 Å²	156.8	78%	0.778	81%	0.808	S	S	*	*			trans	64.6	148.5	132.8	-51	-59.2	0	0	0	120.2
1170	Q	29.4	Very low	28.5	Very low	181 Å²	181	156.1 Å²	156.1	85%	0.846	81%	0.807	S	S	*	*			cis	-144.1	140.6	3.1	-146.5	167.1	-0.1	0	0	110.3
1171	C	24.3	Very low	28.6	Very low	123 Å²	123	152.5 Å²	152.5	83%	0.831	80%	0.8	S	S	*	*			trans	-89.3	152.6	177.2	-58.3	0	0	0	0	111.6
1172	N	28.6	Very low	28.9	Very low	161 Å²	161	151.7 Å²	151.7	86%	0.861	81%	0.807	S	S	*	*			trans	-143.5	149.6	135	-153	-4.2	0	0	0	110.1
1173	S	27	Very low	29.1	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	81%	0.808	S	S	*	*			trans	-153.8	122.9	-167.1	57.2	0	0	0	0	112.1
1174	N	28.7	Very low	29.3	Very low	168 Å²	168	143.4 Å²	143.4	90%	0.898	80%	0.798	S	S	*	*			trans	-117.1	127.8	164.9	-81.8	-22.4	0	0	0	109.2
1175	L	26.7	Very low	29.6	Very low	133 Å²	133	145.8 Å²	145.8	70%	0.696	80%	0.802	S	S	*	*			trans	-152.1	89.2	-170.1	-153.5	178.9	0	0	0	108.9	R1177	L1175-R1177 HydrophobicContact CD2-CG 3.92Å; L1175-R1177 PolarHBondContact O-N 3.3Å
1176	M	27.6	Very low	29.5	Very low	177 Å²	177	144.7 Å²	144.7	87%	0.872	80%	0.797	S	S	*	*			trans	-73.1	125.6	172.6	-77.5	-157	179.4	0	0	110.5
1177	R	27.6	Very low	29.4	Very low	210 Å²	210	145.4 Å²	145.4	79%	0.792	80%	0.8	S	S	*	*			trans	-112.1	108.4	166.6	-68.1	-174.9	-179.6	-178.5	0.5	109	L1175	L1175-R1177 HydrophobicContact CD2-CG 3.92Å; L1175-R1177 PolarHBondContact O-N 3.3Å
1178	Y	26.2	Very low	29.2	Very low	223 Å²	223	143 Å²	143	88%	0.875	80%	0.797	S	S	*	*			trans	-78.7	138.8	158.8	-105.3	-84.3	0	0	0	109.9
1179	S	32.5	Very low	29	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	80%	0.798	S	S	*	*			trans	-115.8	117.6	-177.2	-58.7	0	0	0	0	109.6
1180	P	34	Very low	28.8	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.3	152.2	175.7	-21.5	33.8	0	0	0	112.5
1181	P	31.5	Very low	28.7	Very low	117 Å²	117	140 Å²	140	76%	0.76	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66.6	148.6	174.8	-18.1	31.9	0	0	0	112.5	G1183	P1181-G1183 PolarHBondContact O-N 3.43Å
1182	A	30.3	Very low	28.9	Very low	113 Å²	113	139.9 Å²	139.9	93%	0.934	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	121.7	172.4	0	0	0	0	0	110.8
1183	G	33.3	Very low	28.8	Very low	87 Å²	87	141.8 Å²	141.8	90%	0.897	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.1	-12.1	172.4	0	0	0	0	0	117.2	P1181	P1181-G1183 PolarHBondContact O-N 3.43Å
1184	S	31.8	Very low	28.8	Very low	91 Å²	91	149.8 Å²	149.8	64%	0.636	81%	0.811	S	S	*	*			trans	-123.3	148.3	-178.5	56.3	0	0	0	0	113.2	P1186	S1184-P1186 WeakPolarHBondContact O-CD 3.46Å
1185	N	28.4	Very low	28.8	Very low	174 Å²	174	148.9 Å²	148.9	93%	0.93	81%	0.807	S	S	*	*			trans	-94.5	121	170.8	-78.5	-22.6	0	0	0	110.1
1186	P	28.3	Very low	28.9	Very low	116 Å²	116	149.7 Å²	149.7	75%	0.753	81%	0.813	S	S	*	*			trans	-104.6	153.1	160.7	10.4	11.1	0	0	0	111.2	S1184	S1184-P1186 WeakPolarHBondContact O-CD 3.46Å
1187	E	27.5	Very low	29	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	81%	0.81	S	S	*	*			trans	-73.7	141.7	-177.1	-60.4	-177.6	110.9	0	0	112.9	I1189	E1187-I1189 PolarHBondContact O-N 2.75Å
1188	T	27.6	Very low	29	Very low	111 Å²	111	144.5 Å²	144.5	68%	0.681	81%	0.811	S	S	*	*			trans	-73.3	90.5	175.4	39.2	0	0	0	0	111.8	F1190	T1188-F1190 WeakPolarHBondContact O-CD2 3.28Å; T1188-F1190 PolarHBondContact O-N 3.16Å
1189	I	26.8	Very low	29.2	Very low	146 Å²	146	139.6 Å²	139.6	75%	0.749	81%	0.807	S	S	*	*			trans	-71.5	106.4	169.4	-58.9	175.8	0	0	0	108.9	E1187 V1191	E1187-I1189 PolarHBondContact O-N 2.75Å; I1189-V1191 HydrophobicContact CG2-CG2 4.09Å; I1189-V1191 PolarHBondContact O-N 3.08Å
1190	F	27.8	Very low	29	Very low	167 Å²	167	142.3 Å²	142.3	73%	0.732	81%	0.814	S	S	*	*			trans	-75.5	87.1	176	-76.5	-89.6	0	0	0	111.5	T1188 V1192	T1188-F1190 WeakPolarHBondContact O-CD2 3.28Å; T1188-F1190 PolarHBondContact O-N 3.16Å; F1190-V1192 VanDerWaalsContact C-N 3.25Å; F1190-V1192 PolarHBondContact O-N 2.76Å
1191	V	26.9	Very low	28.7	Very low	128 Å²	128	144.1 Å²	144.1	78%	0.776	82%	0.818	S	S	*	*			trans	-73.4	81.5	167.8	-174.6	0	0	0	0	109.3	I1189 K1193	I1189-V1191 HydrophobicContact CG2-CG2 4.09Å; I1189-V1191 PolarHBondContact O-N 3.08Å; V1191-K1193 PolarHBondContact O-N 2.96Å
1192	V	27.7	Very low	28.4	Very low	120 Å²	120	146.2 Å²	146.2	73%	0.727	82%	0.823	S	S	*	*			trans	-71	96.1	170.7	-178.4	0	0	0	0	108.4	F1190 K1194	F1190-V1192 VanDerWaalsContact C-N 3.25Å; F1190-V1192 PolarHBondContact O-N 2.76Å; V1192-K1194 PolarHBondContact O-N 2.89Å
1193	K	25.6	Very low	28.3	Very low	202 Å²	202	149 Å²	149	88%	0.878	81%	0.813	S	S	*	*			trans	-63.1	115.2	168.6	-167	174.8	-174.2	177	0	108.1	V1191	V1191-K1193 PolarHBondContact O-N 2.96Å
1194	K	27.6	Very low	27.8	Very low	260 Å²	260	154.6 Å²	154.6	100%	1.13	81%	0.806	S	S	*	*			trans	-95.6	0	-174.4	-166.6	-176.1	178.8	-171	0	111.7	V1192	V1192-K1194 PolarHBondContact O-N 2.89Å

Retrieved 1,194 of 1,194 residues in 252.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).