A0A077ZHP6_TRITR Loading...

trimethylamine-N-oxide reductase

AlphaFold DB , UniProt , Accession A0A077ZHP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 809 aa.

						>A0A077ZHP6_TRITR|A0A077ZHP6
MTLTRREFIKHSGIAAGALVVTSAAPLPAWAEEKGGKILTAGRWGAMNVEVKDGKIVSSTGALAKTIPNSLQSTAADQVHTTARIQHPMVRKSYLDNPLQPAKGRGEDTYVQVSWEQALKLIHEQHDRIRKANGPSAIFAGSYGWRSSGVLHKAQTLLQRYMNLAGGYSGHSGDYSTGAAQVIMPHVVGSVEVYEQQTSWPLILENSQVVVLWGMNPLNTLKIAWSSTDEQGLEYFHQLKKSGKPVIAIDPIRSETIEFFGDNATWIAPNMGTDVALMLGIAHTLMTQGKHDKVFLEKYTTGYPQFEEYLTGKSDNTPKSAAWAAEITGVPEAQIVKLAELMAANRTMLMAGWGIQRQQYGEQKHWMLVTLAAMLGQIGTPGGGFGFSYHYSNGGNPTRVGGVLPEMSAAIAGQASEAADDGGMTAIPVARIVDALENPGGKYQHNGKEQTYPNIKMIWWAGGGNFTHHQDTNRLIKAWQKPEMIVVSECYWTAAAKHADIVLPITTSFERNDLTMTGDYSNQHIVPMKQAVAPQFEARNDFDVFADLAELLKPGGKEIYTEGKDEMAWLKFFYDAAQKGARAQSVTMPMFNAFWQQNKLIEMRRSEKNEQYVRYGDFRADPVKNALGTPSGKIEIYSKTLEKFGYKDCPAHPTWLAPDEWKGTADEKQLQLLTAHPAHRLHSQLNYAELRKKYAVADREPITIHTEDAARFGIANGDLVRVWNKRGQILTGAVVTDGIKKGVVCVHEGAWPDLENGLCKNGSANVLTADIPSSQLANACAGNSALVYIEKYTGNAPKLTAFDQPAIQA
					

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(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	37.9	Very low	41.4	Very low	233 Å²	233	184.6 Å²	184.6	100%	1.148	86%	0.864	S	S	*	*				0	73.2	0	-64.4	-173.9	-165.2	0	0	107.1
2	T	36.9	Very low	41.2	Very low	127 Å²	127	180.1 Å²	180.1	78%	0.779	87%	0.867	S	S	*	*			cis	64.4	96.7	43.1	50.8	0	0	0	0	114.7
3	L	38.1	Very low	40.9	Very low	175 Å²	175	171.9 Å²	171.9	92%	0.916	86%	0.859	S	S	*	*			trans	-137	120.9	149.1	-97.1	155.4	0	0	0	107.3
4	T	46.8	Very low	40.5	Very low	110 Å²	110	172.1 Å²	172.1	68%	0.675	86%	0.862	S	S	*	*			trans	-95.1	155.4	-166.7	49.1	0	0	0	0	111.2	R6	T4-R6 PolarHBondContact O-N 3.34Å
5	R	41.9	Very low	40.1	Very low	259 Å²	259	167.5 Å²	167.5	98%	0.977	86%	0.861	S	S	*	*	S	Bend	trans	-58.6	17.1	-178.7	-99.1	177.4	168.1	177.8	-4.2	116.6	E7	R5-E7 PolarHBondContact O-N 2.69Å
6	R	42.9	Very low	39.6	Very low	232 Å²	232	164 Å²	164	88%	0.875	87%	0.865	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	10.5	-167.4	-134.5	179.7	-172.1	178.5	2.2	116.2	T4	T4-R6 PolarHBondContact O-N 3.34Å
7	E	47.8	Very low	39.1	Very low	178 Å²	178	157.9 Å²	157.9	83%	0.832	85%	0.851	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	7.8	-175	-73.1	-165.7	138.7	0	0	116.8	R5 I9	R5-E7 PolarHBondContact O-N 2.69Å; E7-I9 VanDerWaalsContact C-N 3.34Å; E7-I9 PolarHBondContact O-N 3.09Å
8	F	44.6	Very low	38.6	Very low	200 Å²	200	155.5 Å²	155.5	88%	0.877	86%	0.856	S	S	*	*	S	Bend	trans	-82.8	1.2	-175.9	-166.2	-105.5	0	0	0	115.6
9	I	38.9	Very low	38.2	Very low	159 Å²	159	155.5 Å²	155.5	82%	0.815	85%	0.854	S	S	*	*			trans	-121.6	89.6	-179.5	-55.7	178.6	0	0	0	110.2	E7	E7-I9 VanDerWaalsContact C-N 3.34Å; E7-I9 PolarHBondContact O-N 3.09Å
10	K	39	Very low	37.8	Very low	185 Å²	185	153.9 Å²	153.9	80%	0.804	85%	0.849	S	S	*	*			trans	-163.9	121.3	160.2	-108.9	173.3	-168	-176.9	0	108
11	H	40.2	Very low	37.4	Very low	173 Å²	173	152.8 Å²	152.8	80%	0.801	85%	0.846	S	S	*	*			trans	107.1	81.3	160.5	-57.5	28.9	0	0	0	117.7
12	S	39.8	Very low	37.1	Very low	130 Å²	130	147.4 Å²	147.4	91%	0.909	83%	0.826	S	S	*	*			trans	179.6	128.3	136.3	27.2	0	0	0	0	106.5
13	G	37.2	Very low	36.9	Very low	74 Å²	74	146.6 Å²	146.6	76%	0.763	83%	0.826	S	S	*	*			cis	137.5	75.8	15.3	0	0	0	0	0	109.1
14	I	35.2	Very low	36.6	Very low	174 Å²	174	142.8 Å²	142.8	89%	0.892	82%	0.82	S	S	*	*			trans	25.3	120.4	154.9	-54	171.1	0	0	0	119.9
15	A	33.9	Very low	35.9	Very low	103 Å²	103	141.2 Å²	141.2	85%	0.851	82%	0.818	S	S	*	*			trans	-167	138.7	132.3	0	0	0	0	0	111.3
16	A	32.1	Very low	35.4	Very low	112 Å²	112	134.9 Å²	134.9	93%	0.926	81%	0.81	S	S	*	*			trans	-85.5	146	-165.1	0	0	0	0	0	115.1
17	G	32	Very low	34.9	Very low	61 Å²	61	131 Å²	131	63%	0.629	81%	0.806	S	S	*	*			trans	177.7	120.6	167.1	0	0	0	0	0	110.2	L19	G17-L19 PolarHBondContact O-N 3.38Å
18	A	28.9	Very low	34.3	Very low	114 Å²	114	127.1 Å²	127.1	94%	0.942	80%	0.796	S	S	*	*			trans	-52.9	119.8	-171.5	0	0	0	0	0	113.1
19	L	32.4	Very low	33.7	Very low	155 Å²	155	122.3 Å²	122.3	81%	0.812	79%	0.793	S	S	*	*			trans	-129.6	114.1	176.6	-103.3	151.9	0	0	0	109	G17 V21	G17-L19 PolarHBondContact O-N 3.38Å; L19-V21 PolarHBondContact O-N 3.44Å; L19-V21 VanDerWaalsContact O-N 3.15Å
20	V	30	Very low	33.9	Very low	124 Å²	124	121.5 Å²	121.5	75%	0.752	78%	0.78	S	S	*	*			trans	-54.5	112.7	163.6	172.6	0	0	0	0	107.3	T22	V20-T22 VanDerWaalsContact C-N 3.31Å; V20-T22 HydrophobicContact CG1-CG2 4.4Å; V20-T22 PolarHBondContact O-N 2.98Å
21	V	29.6	Very low	33.6	Very low	131 Å²	131	117.1 Å²	117.1	79%	0.794	78%	0.779	S	S	*	*			trans	-77.7	86.4	174.8	-179.6	0	0	0	0	107.5	L19 S23	L19-V21 PolarHBondContact O-N 3.44Å; L19-V21 VanDerWaalsContact O-N 3.15Å; V21-S23 PolarHBondContact O-N 3.46Å
22	T	31	Very low	33.3	Very low	119 Å²	119	116.6 Å²	116.6	73%	0.73	78%	0.777	S	S	*	*			trans	-70.8	104.6	155.8	37.1	0	0	0	0	107	V20 A24	V20-T22 VanDerWaalsContact C-N 3.31Å; V20-T22 HydrophobicContact CG1-CG2 4.4Å; V20-T22 PolarHBondContact O-N 2.98Å; T22-A24 PolarHBondContact O-N 3.4Å
23	S	32.4	Very low	33.3	Very low	110 Å²	110	117.9 Å²	117.9	77%	0.769	77%	0.768	S	S	*	*			trans	-66.8	82.7	169.8	42.6	0	0	0	0	109.3	V21 A25	V21-S23 PolarHBondContact O-N 3.46Å; S23-A25 PolarHBondContact O-N 2.9Å
24	A	31.7	Very low	33.1	Very low	95 Å²	95	124.2 Å²	124.2	79%	0.785	78%	0.775	S	S	*	*			trans	-67.8	84.6	161.9	0	0	0	0	0	108.1	T22	T22-A24 PolarHBondContact O-N 3.4Å
25	A	33.1	Very low	33.8	Very low	78 Å²	78	120 Å²	120	65%	0.645	78%	0.775	S	S	*	*			trans	-59.1	137.9	155.9	0	0	0	0	0	107.4	S23 L27	S23-A25 PolarHBondContact O-N 2.9Å; A25-L27 PolarHBondContact O-N 3.19Å
26	P	31.4	Very low	35.5	Very low	125 Å²	125	117 Å²	117	81%	0.812	75%	0.754	S	S	*	*			trans	-62.7	111.5	179.9	26.1	-30.7	0	0	0	107.7	P28	P26-P28 WeakPolarHBondContact O-CD 3.49Å; P26-P28 VanDerWaalsContact O-N 3.15Å
27	L	30.8	Very low	38.3	Very low	152 Å²	152	116.7 Å²	116.7	80%	0.796	73%	0.731	S	S	*	*			trans	-51.1	121.2	167.4	-78.8	160.7	0	0	0	106.6	A25 A29	A25-L27 PolarHBondContact O-N 3.19Å; L27-A29 PolarHBondContact O-N 2.86Å
28	P	36	Very low	41.4	Very low	95 Å²	95	115.7 Å²	115.7	62%	0.617	71%	0.711	S	S	*	*			trans	-57.8	122.2	170.4	23.7	-29	0	0	0	105.7	P26 W30	P26-P28 WeakPolarHBondContact O-CD 3.49Å; P26-P28 VanDerWaalsContact O-N 3.15Å; P28-W30 VanDerWaalsContact C-N 3.3Å; P28-W30 VanDerWaalsContact O-CD1 3.25Å; P28-W30 PolarHBondContact O-N 2.79Å
29	A	31.4	Very low	44.6	Very low	99 Å²	99	110.6 Å²	110.6	82%	0.818	67%	0.668	S	S	*	*			trans	-53.7	100.7	174.4	0	0	0	0	0	107.3	L27 A31	L27-A29 PolarHBondContact O-N 2.86Å; A29-A31 PolarHBondContact O-N 3.41Å
30	W	44.3	Very low	47.7	Very low	142 Å²	142	103.2 Å²	103.2	54%	0.538	63%	0.629	S	S	.	*			trans	-61	113.1	165.1	-62.9	-11.1	0	0	0	103.8	P28 E32 A533	P28-W30 VanDerWaalsContact C-N 3.3Å; P28-W30 VanDerWaalsContact O-CD1 3.25Å; P28-W30 PolarHBondContact O-N 2.79Å; W30-E32 PolarHBondContact O-N 3.06Å; W30-A533 HydrophobicContact CH2-CB 3.29Å; W30-A533 HydrophobicContact CZ2-CB 3.57Å; W30-A533 HydrophobicContact CZ3-CB 4.49Å
31	A	33.1	Very low	51	Low	94 Å²	94	97.3 Å²	97.3	78%	0.777	59%	0.593	S	S	*	*			trans	-60.1	95.2	172.7	0	0	0	0	0	106.7	A29 E33	A29-A31 PolarHBondContact O-N 3.41Å; A31-E33 PolarHBondContact O-N 3.49Å
32	E	34.1	Very low	54.2	Low	162 Å²	162	91.2 Å²	91.2	76%	0.757	56%	0.557	S	S	*	*			trans	-58.1	80.4	144.5	-81.1	-171.6	150.3	0	0	106.3	W30 K34	W30-E32 PolarHBondContact O-N 3.06Å; E32-K34 PolarHBondContact O-N 3.42Å
33	E	38.1	Very low	57.4	Low	156 Å²	156	85.7 Å²	85.7	73%	0.729	52%	0.523	S	S	*	.			trans	-61.3	97.7	142.7	-101.6	-168	162.9	0	0	105.3	A31 G35 G36	A31-E33 PolarHBondContact O-N 3.49Å; E33-G35 PolarHBondContact O-N 2.71Å; E33-G36 PolarHBondContact O-N 2.63Å
34	K	34.2	Very low	60.5	Low	208 Å²	208	80.7 Å²	80.7	90%	0.904	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.4	101.8	170.8	-75.8	-179.3	172.2	179.5	0	109.7	E32	E32-K34 PolarHBondContact O-N 3.42Å
35	G	49.4	Very low	63.6	Low	86 Å²	86	76.1 Å²	76.1	89%	0.887	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	8.8	173.1	0	0	0	0	0	117.9	E33	E33-G35 PolarHBondContact O-N 2.71Å
36	G	69.6	Low	66.7	Low	40 Å²	40	72.4 Å²	72.4	41%	0.412	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-83.6	135.7	179.3	0	0	0	0	0	113.9	E33	E33-G36 PolarHBondContact O-N 2.63Å
37	K	91.1	Very high	69.8	Low	104 Å²	104	66.5 Å²	66.5	45%	0.452	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-78.6	137.2	169.2	-60.6	-175.8	-178.7	-178	0	110.2	N48 V49 N598	K37-N48 HydrophobicContact CB-CB 3.95Å; K37-N48 HydrophobicContact CD-CB 3.72Å; K37-N48 HydrophobicContact CG-CB 4.45Å; K37-V49 CarbonylContact C-O 3.44Å; K37-V49 WeakPolarHBondContact CA-O 3.45Å; K37-N598 PolarHBondContact O-ND2 3.29Å
38	I	96.4	Very high	73	Confident	41 Å²	41	61.3 Å²	61.3	21%	0.21	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.6	177.3	-59.3	175.6	0	0	0	108.7	V49 V51 K529 A531	I38-V49 PolarHBondContact N-O 3.2Å; I38-V49 PolarHBondContact O-N 3.28Å; I38-V51 HydrophobicContact CD1-CG2 3.92Å; I38-K529 HydrophobicContact CG2-CB 3.71Å; I38-K529 HydrophobicContact CG2-CD 4.47Å; I38-A531 HydrophobicContact CD1-CB 4.35Å
39	L	97.4	Very high	76	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.2	173.8	-177.7	65.3	0	0	0	109.1	M47 A62 V526 P527 N598 L600	L39-M47 WeakPolarHBondContact CA-O 3.29Å; L39-A62 HydrophobicContact CD1-CB 3.65Å; L39-V526 HydrophobicContact CD2-CG1 4.35Å; L39-V526 HydrophobicContact CG-CG1 4.2Å; L39-P527 HydrophobicContact CD2-CG 4.13Å; L39-P527 VanDerWaalsContact O-O 3.1Å; L39-N598 WeakPolarHBondContact CB-OD1 3.19Å; L39-N598 WeakPolarHBondContact CD2-O 3.35Å; L39-N598 PolarHBondContact N-ND2 3.43Å; L39-N598 PolarHBondContact N-OD1 2.88Å; L39-N598 VanDerWaalsContact N-OD1 3.13Å; L39-L600 HydrophobicContact CD2-CB 4.42Å
40	T	97.8	Very high	79.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-169.5	172.1	-167.2	0	0	0	0	109.9	A46 M47 V49 F509 M528	T40-A46 WeakPolarHBondContact O-CA 3.16Å; T40-M47 PolarHBondContact N-O 2.99Å; T40-M47 PolarHBondContact O-N 3.22Å; T40-V49 HydrophobicContact CG2-CG2 3.6Å; T40-F509 HydrophobicContact CG2-CD1 4Å; T40-F509 HydrophobicContact CG2-CE1 3.78Å; T40-M528 WeakPolarHBondContact OG1-CA 3.15Å
41	A	97.9	Very high	81.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.5	177.9	0	0	0	0	0	112.4	G45 T515 V526 M528	A41-G45 WeakPolarHBondContact CA-O 3.31Å; A41-T515 HydrophobicContact CB-CG2 3.6Å; A41-V526 HydrophobicContact CB-CB 4.42Å; A41-V526 HydrophobicContact CB-CG1 4.05Å; A41-M528 HydrophobicContact CB-CG 4.01Å; A41-M528 HydrophobicContact CB-SD 4.39Å; A41-M528 WeakPolarHBondContact O-CE 3.25Å
42	G	97.3	Very high	84.6	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	-173.5	168.1	0	0	0	0	0	110.5	W44 G45 S148 S227	G42-W44 PolarHBondContact O-N 3.01Å; G42-G45 PolarHBondContact N-O 3.38Å; G42-G45 PolarHBondContact O-N 3.06Å; G42-S148 WeakPolarHBondContact CA-OG 3.43Å; G42-S148 PolarHBondContact O-OG 3.17Å; G42-S227 VanDerWaalsContact O-CB 3.3Å; G42-S227 WeakPolarHBondContact O-CB 3.46Å; G42-S227 PolarHBondContact O-OG 3.14Å
43	R	97.7	Very high	87.3	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.011	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.9	178.8	-60.5	-64.2	-164.7	-162.6	29.5	111.9	W145 R146 S147 S148 I223 A224 W225 T228 L681	R43-W145 VanDerWaalsContact CZ-O 3.27Å; R43-W145 PolarHBondContact NE-O 3.36Å; R43-W145 PolarHBondContact NH2-O 2.95Å; R43-R146 VanDerWaalsContact NH1-NH1 3.16Å; R43-R146 VanDerWaalsContact NH2-NE 3.15Å; R43-S147 PolarHBondContact NH1-O 3.07Å; R43-S148 WeakPolarHBondContact CD-OG 3.37Å; R43-S148 PolarHBondContact N-OG 3.14Å; R43-I223 CarbonylContact O-C 3.46Å; R43-I223 WeakPolarHBondContact O-CA 3.34Å; R43-A224 WeakPolarHBondContact CD-O 3.13Å; R43-A224 PolarHBondContact O-N 2.9Å; R43-W225 WeakPolarHBondContact CD-O 3.21Å; R43-W225 PolarHBondContact NE-O 2.92Å; R43-W225 PolarHBondContact NH1-O 3.25Å; R43-T228 PolarHBondContact O-N 2.95Å; R43-L681 HydrophobicContact CB-CD2 3.84Å; R43-L681 HydrophobicContact CG-CD2 3.81Å
44	W	97.2	Very high	89.8	Confident	5 Å²	5	46.4 Å²	46.4	2%	0.019	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	22.2	-179.2	21	-85.3	0	0	0	113.6	G42 M47 N69 L71 Q72 K222 I223 T228 F509	G42-W44 PolarHBondContact O-N 3.01Å; W44-M47 HydrophobicContact CE3-CE 3.78Å; W44-M47 HydrophobicContact CE3-SD 3.57Å; W44-M47 VanDerWaalsContact CE3-SD 3.57Å; W44-M47 HydrophobicContact CH2-CE 3.64Å; W44-M47 HydrophobicContact CH2-SD 3.77Å; W44-M47 HydrophobicContact CZ2-CE 4.46Å; W44-M47 HydrophobicContact CZ3-CE 3.32Å; W44-M47 HydrophobicContact CZ3-CG 4.41Å; W44-M47 HydrophobicContact CZ3-SD 2.98Å; W44-M47 WeakPolarHBondContact CZ3-SD 3.47Å; W44-N69 WeakPolarHBondContact CB-ND2 3.47Å; W44-N69 PolarHBondContact O-ND2 2.74Å; W44-L71 HydrophobicContact CB-CB 3.62Å; W44-L71 HydrophobicContact CB-CD1 3.94Å; W44-L71 HydrophobicContact CB-CG 4.4Å; W44-L71 HydrophobicContact CD2-CB 3.88Å; W44-L71 VanDerWaalsContact CE3-C 3.46Å; W44-L71 HydrophobicContact CE3-CB 4.23Å; W44-L71 HydrophobicContact CG-CB 3.53Å; W44-L71 HydrophobicContact CG-CD1 4.09Å; W44-L71 HydrophobicContact CG-CG 4.46Å; W44-L71 WeakPolarHBondContact CZ3-O 3.47Å; W44-Q72 HydrophobicContact CE3-CB 4.43Å; W44-Q72 HydrophobicContact CE3-CG 4.11Å; W44-Q72 VanDerWaalsContact O-CG 3.27Å; W44-Q72 WeakPolarHBondContact O-CG 3.47Å; W44-Q72 PolarHBondContact O-NE2 3.29Å; W44-K222 WeakPolarHBondContact CA-O 3.26Å; W44-K222 WeakPolarHBondContact CB-O 3.41Å; W44-I223 HydrophobicContact CB-CG2 4.2Å; W44-T228 VanDerWaalsContact C-CG2 3.48Å; W44-F509 HydrophobicContact CH2-CE2 4.47Å; W44-F509 AromaticContact CH2-CZ 3.91Å; W44-F509 HydrophobicContact CH2-CZ 3.91Å
45	G	97.5	Very high	92.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.6	178	164.5	0	0	0	0	0	114.2	A41 G42 S227	A41-G45 WeakPolarHBondContact CA-O 3.31Å; G42-G45 PolarHBondContact N-O 3.38Å; G42-G45 PolarHBondContact O-N 3.06Å; G45-S227 VanDerWaalsContact C-OG 3.24Å; G45-S227 WeakPolarHBondContact CA-OG 3.49Å
46	A	97.7	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	143	171.4	0	0	0	0	0	110.7	T40 A62 L63 V526	T40-A46 WeakPolarHBondContact O-CA 3.16Å; A46-A62 HydrophobicContact CB-CB 3.96Å; A46-A62 PolarHBondContact O-N 2.79Å; A46-L63 HydrophobicContact CB-CG 4.41Å; A46-V526 HydrophobicContact CB-CG1 4.22Å; A46-V526 HydrophobicContact CB-CG2 4.17Å
47	M	97.7	Very high	96.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.6	-172.8	-66.6	176.2	-86.2	0	0	113.3	L39 T40 W44 T60 Q72 F509	L39-M47 WeakPolarHBondContact CA-O 3.29Å; T40-M47 PolarHBondContact N-O 2.99Å; T40-M47 PolarHBondContact O-N 3.22Å; W44-M47 HydrophobicContact CE3-CE 3.78Å; W44-M47 HydrophobicContact CE3-SD 3.57Å; W44-M47 VanDerWaalsContact CE3-SD 3.57Å; W44-M47 HydrophobicContact CH2-CE 3.64Å; W44-M47 HydrophobicContact CH2-SD 3.77Å; W44-M47 HydrophobicContact CZ2-CE 4.46Å; W44-M47 HydrophobicContact CZ3-CE 3.32Å; W44-M47 HydrophobicContact CZ3-CG 4.41Å; W44-M47 HydrophobicContact CZ3-SD 2.98Å; W44-M47 WeakPolarHBondContact CZ3-SD 3.47Å; M47-T60 CarbonylContact C-O 3.57Å; M47-T60 WeakPolarHBondContact CA-O 3.23Å; M47-T60 WeakPolarHBondContact CB-O 3.46Å; M47-Q72 HydrophobicContact CG-CB 4.38Å; M47-Q72 HydrophobicContact CG-CG 4.31Å; M47-F509 HydrophobicContact CE-CE1 4.11Å; M47-F509 HydrophobicContact CE-CZ 4.03Å
48	N	97.5	Very high	96.6	Very high	44 Å²	44	37.4 Å²	37.4	24%	0.235	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.4	164.9	-64.7	-55.4	0	0	0	109.2	K37 S59 T60	K37-N48 HydrophobicContact CB-CB 3.95Å; K37-N48 HydrophobicContact CD-CB 3.72Å; K37-N48 HydrophobicContact CG-CB 4.45Å; N48-S59 WeakPolarHBondContact O-CA 3.42Å; N48-T60 PolarHBondContact N-O 3.45Å; N48-T60 PolarHBondContact O-N 2.79Å
49	V	98.1	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.9	178.5	178.7	0	0	0	0	109.3	K37 I38 T40 V51 I56 A75 F509 A531	K37-V49 CarbonylContact C-O 3.44Å; K37-V49 WeakPolarHBondContact CA-O 3.45Å; I38-V49 PolarHBondContact N-O 3.2Å; I38-V49 PolarHBondContact O-N 3.28Å; T40-V49 HydrophobicContact CG2-CG2 3.6Å; V49-V51 HydrophobicContact CG1-CG2 4.19Å; V49-I56 HydrophobicContact CG1-CB 4.32Å; V49-I56 HydrophobicContact CG1-CD1 4.03Å; V49-I56 HydrophobicContact CG1-CG1 3.92Å; V49-I56 HydrophobicContact CG1-CG2 3.62Å; V49-A75 HydrophobicContact CG2-CB 4.27Å; V49-F509 HydrophobicContact CG2-CD1 4.22Å; V49-F509 HydrophobicContact CG2-CE1 4.01Å; V49-A531 HydrophobicContact CG1-CB 4.07Å
50	E	97.4	Very high	96.6	Very high	87 Å²	87	38.4 Å²	38.4	41%	0.407	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.5	174.8	-170.6	178.2	-170.9	0	0	109.5	I56 V57 S58	E50-I56 WeakPolarHBondContact O-CA 3.28Å; E50-V57 HydrophobicContact CB-CG2 3.94Å; E50-V57 HydrophobicContact CG-CG2 3.71Å; E50-V57 WeakPolarHBondContact O-CG2 3.25Å; E50-V57 PolarHBondContact O-N 3.05Å; E50-S58 VanDerWaalsContact CB-OG 3.3Å; E50-S58 WeakPolarHBondContact CB-OG 3.44Å; E50-S58 PolarHBondContact N-O 3.26Å; E50-S58 PolarHBondContact OE2-OG 2.94Å
51	V	96.7	Very high	96.5	Very high	48 Å²	48	39.6 Å²	39.6	29%	0.291	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.3	179.8	-178.8	0	0	0	0	108.3	I38 V49 K55 I56 A531 V532	I38-V51 HydrophobicContact CD1-CG2 3.92Å; V49-V51 HydrophobicContact CG1-CG2 4.19Å; V51-K55 CarbonylContact C-O 3.58Å; V51-K55 WeakPolarHBondContact CA-O 3.47Å; V51-I56 HydrophobicContact CG2-CG1 4.3Å; V51-A531 HydrophobicContact CG2-CB 4.21Å; V51-A531 WeakPolarHBondContact CG2-O 3.35Å; V51-V532 HydrophobicContact CG1-CG1 4.24Å; V51-V532 HydrophobicContact CG2-CG1 4.5Å
52	K	95.4	Very high	96.4	Very high	130 Å²	130	41.1 Å²	41.1	57%	0.565	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.1	175.7	-175.4	-177.1	173.2	-178.2	0	108.6	G54 K55 V57	K52-G54 PolarHBondContact O-N 3.08Å; K52-K55 PolarHBondContact N-O 2.86Å; K52-K55 PolarHBondContact O-N 3.29Å; K52-K55 VanDerWaalsContact O-O 3.13Å; K52-V57 HydrophobicContact CB-CG1 3.88Å; K52-V57 HydrophobicContact CB-CG2 4.26Å
53	D	91.9	Very high	96.3	Very high	133 Å²	133	42 Å²	42	71%	0.711	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	41	178.6	-50.1	-40.9	0	0	0	112.5	K55	D53-K55 VanDerWaalsContact C-N 3.25Å; D53-K55 PolarHBondContact O-N 3.36Å
54	G	90.8	Very high	96.1	Very high	37 Å²	37	46.5 Å²	46.5	38%	0.381	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	8.8	-178.7	0	0	0	0	0	115.6	K52 V532	K52-G54 PolarHBondContact O-N 3.08Å; G54-V532 WeakPolarHBondContact O-CG1 3.3Å
55	K	95.3	Very high	95.9	Very high	132 Å²	132	49.2 Å²	49.2	57%	0.574	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.4	179	-65.5	-174.7	179.4	-176.7	0	111.7	V51 K52 D53 V57	V51-K55 CarbonylContact C-O 3.58Å; V51-K55 WeakPolarHBondContact CA-O 3.47Å; K52-K55 PolarHBondContact N-O 2.86Å; K52-K55 PolarHBondContact O-N 3.29Å; K52-K55 VanDerWaalsContact O-O 3.13Å; D53-K55 VanDerWaalsContact C-N 3.25Å; D53-K55 PolarHBondContact O-N 3.36Å; K55-V57 PolarHBondContact O-N 3.21Å
56	I	97.1	Very high	95.5	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	123.8	166.6	-57.8	179.3	0	0	0	108.9	V49 E50 V51 A75 A76 V79 H80 F509 A531 V532	V49-I56 HydrophobicContact CG1-CB 4.32Å; V49-I56 HydrophobicContact CG1-CD1 4.03Å; V49-I56 HydrophobicContact CG1-CG1 3.92Å; V49-I56 HydrophobicContact CG1-CG2 3.62Å; E50-I56 WeakPolarHBondContact O-CA 3.28Å; V51-I56 HydrophobicContact CG2-CG1 4.3Å; I56-A75 HydrophobicContact CD1-CB 4.44Å; I56-A75 HydrophobicContact CG2-CB 3.99Å; I56-A76 HydrophobicContact CG2-CB 4.11Å; I56-V79 HydrophobicContact CD1-CB 4.48Å; I56-V79 HydrophobicContact CD1-CG2 3.7Å; I56-H80 PolarHBondContact N-NE2 3.09Å; I56-H80 PolarHBondContact O-NE2 3.11Å; I56-F509 HydrophobicContact CD1-CB 3.77Å; I56-F509 HydrophobicContact CD1-CD1 4.27Å; I56-F509 HydrophobicContact CD1-CG 4.01Å; I56-A531 HydrophobicContact CD1-CB 4.08Å; I56-A531 HydrophobicContact CG1-CB 4.33Å; I56-V532 HydrophobicContact CD1-CG1 4.48Å; I56-V532 HydrophobicContact CD1-CG2 4.38Å; I56-V532 HydrophobicContact CG1-CG1 3.76Å; I56-V532 HydrophobicContact CG1-CG2 4.49Å
57	V	96.3	Very high	95.1	Very high	73 Å²	73	54 Å²	54	44%	0.442	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-29.4	178.8	-65.8	0	0	0	0	112.8	E50 K52 K55	E50-V57 HydrophobicContact CB-CG2 3.94Å; E50-V57 HydrophobicContact CG-CG2 3.71Å; E50-V57 WeakPolarHBondContact O-CG2 3.25Å; E50-V57 PolarHBondContact O-N 3.05Å; K52-V57 HydrophobicContact CB-CG1 3.88Å; K52-V57 HydrophobicContact CB-CG2 4.26Å; K55-V57 PolarHBondContact O-N 3.21Å
58	S	96.5	Very high	94.8	Very high	39 Å²	39	58.9 Å²	58.9	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	158.8	178.9	83.9	0	0	0	0	111.6	E50	E50-S58 VanDerWaalsContact CB-OG 3.3Å; E50-S58 WeakPolarHBondContact CB-OG 3.44Å; E50-S58 PolarHBondContact N-O 3.26Å; E50-S58 PolarHBondContact OE2-OG 2.94Å
59	S	97.6	Very high	94.7	Very high	8 Å²	8	57.3 Å²	57.3	6%	0.056	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.8	167.6	61.1	0	0	0	0	110.9	N48 Q72 S73 A75	N48-S59 WeakPolarHBondContact O-CA 3.42Å; S59-Q72 CarbonylContact C-O 3.59Å; S59-Q72 VanDerWaalsContact C-O 3.31Å; S59-Q72 WeakPolarHBondContact CB-O 3.45Å; S59-Q72 PolarHBondContact OG-O 2.81Å; S59-S73 WeakPolarHBondContact OG-CA 3.4Å; S59-A75 WeakPolarHBondContact OG-CB 3.21Å; S59-A75 PolarHBondContact OG-N 3.13Å
60	T	96.8	Very high	94.6	Very high	60 Å²	60	58.3 Å²	58.3	37%	0.368	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.5	-179.2	50.4	0	0	0	0	110.3	M47 N48	M47-T60 CarbonylContact C-O 3.57Å; M47-T60 WeakPolarHBondContact CA-O 3.23Å; M47-T60 WeakPolarHBondContact CB-O 3.46Å; N48-T60 PolarHBondContact N-O 3.45Å; N48-T60 PolarHBondContact O-N 2.79Å
61	G	96.6	Very high	94.6	Very high	24 Å²	24	54.3 Å²	54.3	25%	0.247	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	141.4	174.1	0	0	0	0	0	112.6
62	A	96.2	Very high	94.6	Very high	32 Å²	32	52.3 Å²	52.3	26%	0.264	31%	0.314	S	S	.	.	S	Bend	trans	-93.2	-19.1	179.2	0	0	0	0	0	113.4	L39 A46	L39-A62 HydrophobicContact CD1-CB 3.65Å; A46-A62 HydrophobicContact CB-CB 3.96Å; A46-A62 PolarHBondContact O-N 2.79Å
63	L	95.2	Very high	94.7	Very high	23 Å²	23	49 Å²	49	12%	0.12	31%	0.308	C	S	.	.	S	Bend	trans	-92.5	143.8	177.3	-59.3	179.3	0	0	0	111.3	A46 K65 E230 L600	A46-L63 HydrophobicContact CB-CG 4.41Å; L63-K65 PolarHBondContact O-NZ 3.48Å; L63-E230 HydrophobicContact CD1-CG 4.46Å; L63-L600 HydrophobicContact CD2-CD2 3.49Å; L63-L600 VanDerWaalsContact CD2-CD2 3.49Å
64	A	92.6	Very high	94.9	Very high	97 Å²	97	42.7 Å²	42.7	80%	0.802	27%	0.274	S	S	*	.			trans	-67	135.8	170.8	0	0	0	0	0	110
65	K	91.9	Very high	95.3	Very high	62 Å²	62	40.9 Å²	40.9	27%	0.27	26%	0.256	S	S	.	.			trans	-155	154.9	-174.5	52.3	168.5	142.8	-69.7	0	111.1	L63 I67 E230	L63-K65 PolarHBondContact O-NZ 3.48Å; K65-I67 VanDerWaalsContact CD-O 3.25Å; K65-I67 WeakPolarHBondContact CD-O 3.41Å; K65-E230 WeakPolarHBondContact CB-OE2 3.47Å; K65-E230 WeakPolarHBondContact CD-OE2 3.36Å; K65-E230 WeakPolarHBondContact CE-OE2 3.37Å; K65-E230 IonicContact NZ-OE1 3.8Å; K65-E230 PolarHBondContact NZ-OE1 2.82Å; K65-E230 VanDerWaalsContact NZ-OE1 3.16Å; K65-E230 IonicContact NZ-OE2 2.97Å; K65-E230 PolarHBondContact NZ-OE2 2.86Å
66	T	90.3	Very high	95.4	Very high	74 Å²	74	35.8 Å²	35.8	45%	0.454	24%	0.238	S	C	.	.	S	Bend	trans	-96.9	-26.5	172.1	62.2	0	0	0	0	112.2	E234 H237	T66-E234 WeakPolarHBondContact CB-OE2 3.42Å; T66-E234 VanDerWaalsContact CG2-OE2 3.23Å; T66-E234 WeakPolarHBondContact CG2-OE2 3.44Å; T66-E234 PolarHBondContact N-OE1 3.22Å; T66-E234 PolarHBondContact OG1-OE1 3.41Å; T66-E234 PolarHBondContact OG1-OE2 2.74Å; T66-H237 PolarHBondContact OG1-CD2 2.73Å
67	I	89.2	Confident	95.4	Very high	25 Å²	25	37 Å²	37	13%	0.128	25%	0.245	C	C	.	.	S	Bend	trans	-109.6	111.2	-179.9	-63.5	162.6	0	0	0	109.5	K65 L218 L233 H237 F259	K65-I67 VanDerWaalsContact CD-O 3.25Å; K65-I67 WeakPolarHBondContact CD-O 3.41Å; I67-L218 HydrophobicContact CD1-CD1 3.69Å; I67-L218 HydrophobicContact CG2-CD1 4.4Å; I67-L233 HydrophobicContact CB-CB 4.45Å; I67-L233 HydrophobicContact CB-CD1 4.48Å; I67-L233 HydrophobicContact CD1-CB 4.02Å; I67-L233 HydrophobicContact CD1-CD2 4.47Å; I67-L233 HydrophobicContact CG2-CD1 4.33Å; I67-H237 HydrophobicContact CD1-CB 4.48Å; I67-F259 HydrophobicContact CD1-CE2 4.25Å; I67-F259 HydrophobicContact CD1-CZ 4.28Å
68	P	91.9	Very high	95.4	Very high	104 Å²	104	34 Å²	34	68%	0.675	23%	0.226	S	C	*	.			trans	-59.8	136.9	178.2	-25	35	0	0	0	113.2
69	N	95.5	Very high	95.5	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.053	21%	0.213	C	C	.	.			trans	-102.4	105.8	171.2	-175.3	-3.8	0	0	0	110.1	W44 L71 Q72 K222	W44-N69 WeakPolarHBondContact CB-ND2 3.47Å; W44-N69 PolarHBondContact O-ND2 2.74Å; N69-L71 PolarHBondContact O-N 3.42Å; N69-L71 VanDerWaalsContact O-N 3.12Å; N69-L71 WeakPolarHBondContact OD1-CB 3.49Å; N69-L71 WeakPolarHBondContact OD1-CG 3.31Å; N69-L71 PolarHBondContact OD1-N 2.7Å; N69-L71 VanDerWaalsContact OD1-N 3.13Å; N69-Q72 HydrophobicContact CB-CG 4.11Å; N69-Q72 WeakPolarHBondContact O-CB 3.47Å; N69-Q72 PolarHBondContact O-N 3Å; N69-K222 PolarHBondContact ND2-O 3.41Å
70	S	95.3	Very high	95.4	Very high	22 Å²	22	35.4 Å²	35.4	15%	0.154	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.9	-23.2	-177.7	60	0	0	0	0	113.8	Q72 S73 H679	S70-Q72 PolarHBondContact O-N 3.23Å; S70-S73 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-OG 3.04Å; S70-H679 PolarHBondContact OG-ND1 3.27Å
71	L	97.5	Very high	95.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66.4	-25.7	-178.7	-54.3	-180	0	0	0	111.7	W44 N69 S73 T74 K222 I223 H679 L685 L690	W44-L71 HydrophobicContact CB-CB 3.62Å; W44-L71 HydrophobicContact CB-CD1 3.94Å; W44-L71 HydrophobicContact CB-CG 4.4Å; W44-L71 HydrophobicContact CD2-CB 3.88Å; W44-L71 VanDerWaalsContact CE3-C 3.46Å; W44-L71 HydrophobicContact CE3-CB 4.23Å; W44-L71 HydrophobicContact CG-CB 3.53Å; W44-L71 HydrophobicContact CG-CD1 4.09Å; W44-L71 HydrophobicContact CG-CG 4.46Å; W44-L71 WeakPolarHBondContact CZ3-O 3.47Å; N69-L71 PolarHBondContact O-N 3.42Å; N69-L71 VanDerWaalsContact O-N 3.12Å; N69-L71 WeakPolarHBondContact OD1-CB 3.49Å; N69-L71 WeakPolarHBondContact OD1-CG 3.31Å; N69-L71 PolarHBondContact OD1-N 2.7Å; N69-L71 VanDerWaalsContact OD1-N 3.13Å; L71-S73 PolarHBondContact O-N 2.84Å; L71-S73 VanDerWaalsContact O-N 3.11Å; L71-T74 PolarHBondContact O-N 3.32Å; L71-T74 PolarHBondContact O-OG1 3.37Å; L71-K222 HydrophobicContact CD1-CB 4.41Å; L71-I223 HydrophobicContact CD1-CG2 3.54Å; L71-H679 VanDerWaalsContact CD2-C 3.41Å; L71-H679 WeakPolarHBondContact CD2-O 3.15Å; L71-L685 HydrophobicContact CD2-CD1 3.93Å; L71-L690 HydrophobicContact CD2-CD1 4.02Å
72	Q	97.6	Very high	95.3	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.028	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67.4	-8.4	-179	-66	179.8	-26.9	0	0	114.9	W44 M47 S59 N69 S70 E230	W44-Q72 HydrophobicContact CE3-CB 4.43Å; W44-Q72 HydrophobicContact CE3-CG 4.11Å; W44-Q72 VanDerWaalsContact O-CG 3.27Å; W44-Q72 WeakPolarHBondContact O-CG 3.47Å; W44-Q72 PolarHBondContact O-NE2 3.29Å; M47-Q72 HydrophobicContact CG-CB 4.38Å; M47-Q72 HydrophobicContact CG-CG 4.31Å; S59-Q72 CarbonylContact C-O 3.59Å; S59-Q72 VanDerWaalsContact C-O 3.31Å; S59-Q72 WeakPolarHBondContact CB-O 3.45Å; S59-Q72 PolarHBondContact OG-O 2.81Å; N69-Q72 HydrophobicContact CB-CG 4.11Å; N69-Q72 WeakPolarHBondContact O-CB 3.47Å; N69-Q72 PolarHBondContact O-N 3Å; S70-Q72 PolarHBondContact O-N 3.23Å; Q72-E230 PolarHBondContact NE2-OE1 3.43Å
73	S	96.4	Very high	95.3	Very high	61 Å²	61	35.9 Å²	35.9	43%	0.427	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-97	8.8	177.8	69.3	0	0	0	0	114.3	S59 S70 L71	S59-S73 WeakPolarHBondContact OG-CA 3.4Å; S70-S73 PolarHBondContact O-N 3.16Å; S70-S73 PolarHBondContact O-OG 3.04Å; L71-S73 PolarHBondContact O-N 2.84Å; L71-S73 VanDerWaalsContact O-N 3.11Å
74	T	97.1	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.217	C	C	.	.			trans	-106.1	13.3	-166.8	63.6	0	0	0	0	115.1	L71 A76 D77 Q78 L685 L690	L71-T74 PolarHBondContact O-N 3.32Å; L71-T74 PolarHBondContact O-OG1 3.37Å; T74-A76 VanDerWaalsContact C-N 3.31Å; T74-A76 PolarHBondContact O-N 3.27Å; T74-D77 PolarHBondContact O-N 3.36Å; T74-Q78 PolarHBondContact O-N 3.25Å; T74-Q78 VanDerWaalsContact O-N 3.15Å; T74-Q78 PolarHBondContact O-NE2 3.23Å; T74-Q78 PolarHBondContact OG1-NE2 3.29Å; T74-L685 HydrophobicContact CG2-CD1 4.1Å; T74-L685 HydrophobicContact CG2-CD2 4.45Å; T74-L690 HydrophobicContact CG2-CD1 3.38Å; T74-L690 HydrophobicContact CG2-CG 3.73Å
75	A	97.6	Very high	95.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-40.4	-179.8	0	0	0	0	0	111.9	V49 I56 S59 Q78 V79 F509	V49-A75 HydrophobicContact CG2-CB 4.27Å; I56-A75 HydrophobicContact CD1-CB 4.44Å; I56-A75 HydrophobicContact CG2-CB 3.99Å; S59-A75 WeakPolarHBondContact OG-CB 3.21Å; S59-A75 PolarHBondContact OG-N 3.13Å; A75-Q78 PolarHBondContact O-N 2.88Å; A75-V79 PolarHBondContact O-N 3.48Å; A75-F509 HydrophobicContact CB-CD1 4.22Å; A75-F509 HydrophobicContact CB-CE1 3.67Å; A75-F509 HydrophobicContact CB-CE2 4.07Å; A75-F509 HydrophobicContact CB-CZ 3.59Å
76	A	97.5	Very high	95.9	Very high	24 Å²	24	30.2 Å²	30.2	20%	0.198	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-44.5	176.7	0	0	0	0	0	111.9	I56 T74 Q78 V79 H80	I56-A76 HydrophobicContact CG2-CB 4.11Å; T74-A76 VanDerWaalsContact C-N 3.31Å; T74-A76 PolarHBondContact O-N 3.27Å; A76-Q78 VanDerWaalsContact C-N 3.27Å; A76-Q78 PolarHBondContact O-N 3.32Å; A76-V79 PolarHBondContact O-N 3.01Å; A76-H80 WeakPolarHBondContact O-CB 3.32Å; A76-H80 PolarHBondContact O-CD2 2.98Å; A76-H80 PolarHBondContact O-N 3.4Å
77	D	97.5	Very high	96.3	Very high	31 Å²	31	28.6 Å²	28.6	17%	0.166	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-41.4	178.3	-64.7	-56.5	0	0	0	111.7	T74 V79 T81 Y687 A688 E689	T74-D77 PolarHBondContact O-N 3.36Å; D77-V79 VanDerWaalsContact C-N 3.34Å; D77-V79 PolarHBondContact O-N 3.38Å; D77-T81 WeakPolarHBondContact O-CB 3.42Å; D77-T81 WeakPolarHBondContact O-CG2 3.32Å; D77-T81 PolarHBondContact O-N 3.17Å; D77-T81 VanDerWaalsContact O-N 3.17Å; D77-Y687 HydrophobicContact CB-CE2 4.37Å; D77-Y687 WeakPolarHBondContact O-CE2 3.43Å; D77-A688 HydrophobicContact CB-CB 3.73Å; D77-E689 VanDerWaalsContact OD1-CG 3.28Å; D77-E689 WeakPolarHBondContact OD1-CG 3.47Å; D77-E689 PolarHBondContact OD1-N 3.24Å
78	Q	97.6	Very high	96.7	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-32.8	-177.6	-80.3	167.9	94	0	0	113.7	T74 A75 A76 Y491 T507 F509 L685 Y687	T74-Q78 PolarHBondContact O-N 3.25Å; T74-Q78 VanDerWaalsContact O-N 3.15Å; T74-Q78 PolarHBondContact O-NE2 3.23Å; T74-Q78 PolarHBondContact OG1-NE2 3.29Å; A75-Q78 PolarHBondContact O-N 2.88Å; A76-Q78 VanDerWaalsContact C-N 3.27Å; A76-Q78 PolarHBondContact O-N 3.32Å; Q78-Y491 WeakPolarHBondContact CA-OH 3.2Å; Q78-Y491 WeakPolarHBondContact CB-OH 3.25Å; Q78-Y491 VanDerWaalsContact O-CE1 3.22Å; Q78-Y491 WeakPolarHBondContact O-CE1 3.49Å; Q78-Y491 PolarHBondContact O-OH 3.06Å; Q78-T507 WeakPolarHBondContact O-CG2 3.47Å; Q78-F509 HydrophobicContact CB-CD2 4.45Å; Q78-F509 HydrophobicContact CB-CE2 4.23Å; Q78-L685 HydrophobicContact CG-CD2 3.51Å; Q78-Y687 WeakPolarHBondContact CG-OH 3.2Å
79	V	97.7	Very high	97	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-88.7	-40.6	-178.7	178.2	0	0	0	0	111.2	I56 A75 A76 D77 F509 V532 Q535	I56-V79 HydrophobicContact CD1-CB 4.48Å; I56-V79 HydrophobicContact CD1-CG2 3.7Å; A75-V79 PolarHBondContact O-N 3.48Å; A76-V79 PolarHBondContact O-N 3.01Å; D77-V79 VanDerWaalsContact C-N 3.34Å; D77-V79 PolarHBondContact O-N 3.38Å; V79-F509 HydrophobicContact CG2-CB 3.95Å; V79-F509 HydrophobicContact CG2-CD2 4.17Å; V79-F509 HydrophobicContact CG2-CG 4.39Å; V79-V532 HydrophobicContact CG1-CG2 4.08Å; V79-V532 HydrophobicContact CG2-CG2 4.5Å; V79-Q535 HydrophobicContact CG1-CG 3.61Å
80	H	96.3	Very high	97.2	Very high	76 Å²	76	22.5 Å²	22.5	35%	0.352	13%	0.128	S	C	.	.	H	α-helix	trans	-105.5	4.7	-166	-55.7	-54.1	0	0	0	115.1	I56 A76	I56-H80 PolarHBondContact N-NE2 3.09Å; I56-H80 PolarHBondContact O-NE2 3.11Å; A76-H80 WeakPolarHBondContact O-CB 3.32Å; A76-H80 PolarHBondContact O-CD2 2.98Å; A76-H80 PolarHBondContact O-N 3.4Å
81	T	96	Very high	97.3	Very high	20 Å²	20	21.6 Å²	21.6	12%	0.123	12%	0.121	C	C	.	.			trans	-60.5	145.2	176.5	179.8	0	0	0	0	112.6	D77 A83 R84 Y491 Y687	D77-T81 WeakPolarHBondContact O-CB 3.42Å; D77-T81 WeakPolarHBondContact O-CG2 3.32Å; D77-T81 PolarHBondContact O-N 3.17Å; D77-T81 VanDerWaalsContact O-N 3.17Å; T81-A83 HydrophobicContact CG2-CB 4.2Å; T81-A83 PolarHBondContact O-N 3.4Å; T81-A83 PolarHBondContact OG1-N 3.49Å; T81-R84 HydrophobicContact CG2-CG 4.07Å; T81-R84 WeakPolarHBondContact O-CG 3.37Å; T81-R84 PolarHBondContact O-N 3.28Å; T81-Y491 HydrophobicContact CG2-CD1 3.65Å; T81-Y491 HydrophobicContact CG2-CE1 3.57Å; T81-Y687 HydrophobicContact CG2-CD2 3.82Å; T81-Y687 HydrophobicContact CG2-CE1 4.41Å; T81-Y687 HydrophobicContact CG2-CE2 3.62Å; T81-Y687 HydrophobicContact CG2-CG 4.35Å; T81-Y687 VanDerWaalsContact OG1-CD2 3.31Å; T81-Y687 WeakPolarHBondContact OG1-CD2 3.47Å
82	T	94.5	Very high	97.3	Very high	106 Å²	106	24 Å²	24	65%	0.65	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.2	172.9	54.8	0	0	0	0	112.9	R84	T82-R84 PolarHBondContact O-N 2.85Å
83	A	96.4	Very high	97.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.9	178.1	0	0	0	0	0	113.9	T81 Y491 W492 Y687 W751	T81-A83 HydrophobicContact CG2-CB 4.2Å; T81-A83 PolarHBondContact O-N 3.4Å; T81-A83 PolarHBondContact OG1-N 3.49Å; A83-Y491 CarbonylContact O-C 3.29Å; A83-Y491 WeakPolarHBondContact O-CA 3.46Å; A83-W492 PolarHBondContact O-N 3.44Å; A83-Y687 HydrophobicContact CB-CD1 4.41Å; A83-W751 HydrophobicContact CB-CH2 4.35Å; A83-W751 HydrophobicContact CB-CZ3 4.4Å
84	R	97.4	Very high	97.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.008	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-58.3	138.6	178.8	-76.3	-72.3	-76.8	149.6	-14.7	111.8	T81 T82 C490 Y491 I505 E510 F536 Q804	T81-R84 HydrophobicContact CG2-CG 4.07Å; T81-R84 WeakPolarHBondContact O-CG 3.37Å; T81-R84 PolarHBondContact O-N 3.28Å; T82-R84 PolarHBondContact O-N 2.85Å; R84-C490 WeakPolarHBondContact CA-O 3.28Å; R84-C490 VanDerWaalsContact NH1-CA 3.25Å; R84-C490 PolarHBondContact NH1-O 3.02Å; R84-Y491 HydrophobicContact CG-CE1 4.47Å; R84-I505 PolarHBondContact NH1-O 2.93Å; R84-I505 PolarHBondContact NH2-O 2.77Å; R84-E510 IonicContact CZ-OE2 3.88Å; R84-E510 IonicContact NH2-OE1 2.69Å; R84-E510 PolarHBondContact NH2-OE1 3.15Å; R84-E510 IonicContact NH2-OE2 3.13Å; R84-E510 PolarHBondContact NH2-OE2 2.95Å; R84-F536 HydrophobicContact CB-CE2 4.07Å; R84-F536 HydrophobicContact CG-CE2 4.44Å; R84-Q804 PolarHBondContact O-NE2 3.37Å
85	I	98	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.			trans	-81.1	120.4	164.9	-57.9	157.8	0	0	0	106.9	H87 E489 C490 Y491 W492 A496 V502 P504	I85-H87 WeakPolarHBondContact CG2-O 3.46Å; I85-E489 HydrophobicContact CD1-CB 3.9Å; I85-E489 HydrophobicContact CD1-CG 4.31Å; I85-E489 WeakPolarHBondContact CD1-O 3.42Å; I85-C490 PolarHBondContact N-O 3.16Å; I85-C490 VanDerWaalsContact N-O 3.11Å; I85-Y491 VanDerWaalsContact CD1-C 3.47Å; I85-Y491 VanDerWaalsContact CD1-O 3.25Å; I85-Y491 WeakPolarHBondContact CD1-O 3.35Å; I85-W492 HydrophobicContact CG1-CD2 3.91Å; I85-W492 HydrophobicContact CG1-CG 3.91Å; I85-W492 HydrophobicContact CG2-CZ2 4.43Å; I85-A496 HydrophobicContact CD1-CB 4.32Å; I85-V502 HydrophobicContact CD1-CG1 3.45Å; I85-V502 VanDerWaalsContact CD1-CG1 3.45Å; I85-V502 HydrophobicContact CG1-CG1 4.17Å; I85-V502 HydrophobicContact CG2-CG1 4Å; I85-P504 HydrophobicContact CB-CB 4.18Å; I85-P504 HydrophobicContact CG2-CB 3.82Å; I85-P504 WeakPolarHBondContact O-CB 3.33Å
86	Q	97.2	Very high	97.2	Very high	61 Å²	61	29.6 Å²	29.6	29%	0.285	16%	0.158	S	C	.	.			trans	-94.3	-33.2	-171.1	-59.7	-175.8	-0.5	0	0	113.2	F536 E537	Q86-F536 HydrophobicContact CB-CB 3.92Å; Q86-F536 HydrophobicContact CB-CD1 4.05Å; Q86-F536 HydrophobicContact CB-CD2 4.12Å; Q86-F536 HydrophobicContact CB-CG 3.77Å; Q86-F536 HydrophobicContact CG-CB 4.45Å; Q86-F536 HydrophobicContact CG-CD1 3.87Å; Q86-F536 HydrophobicContact CG-CD2 3.75Å; Q86-F536 HydrophobicContact CG-CE1 3.97Å; Q86-F536 HydrophobicContact CG-CE2 3.85Å; Q86-F536 HydrophobicContact CG-CG 3.76Å; Q86-F536 HydrophobicContact CG-CZ 3.97Å; Q86-F536 WeakPolarHBondContact O-CB 3.45Å; Q86-E537 WeakPolarHBondContact O-CB 3.23Å; Q86-E537 PolarHBondContact O-N 2.87Å
87	H	97.9	Very high	97.2	Very high	40 Å²	40	31.6 Å²	31.6	19%	0.185	17%	0.165	C	C	.	.	S	Bend	trans	-138.5	159.8	-174	-52.5	-79.8	0	0	0	110.6	I85 M89 Q112 P504 E537	I85-H87 WeakPolarHBondContact CG2-O 3.46Å; H87-M89 WeakPolarHBondContact O-CG 3.42Å; H87-M89 PolarHBondContact O-N 3.15Å; H87-Q112 HydrophobicContact CB-CG 3.8Å; H87-Q112 PolarHBondContact ND1-NE2 3.2Å; H87-P504 VanDerWaalsContact C-CG 3.49Å; H87-E537 IonicContact CE1-OE1 2.67Å; H87-E537 PolarHBondContact CE1-OE1 3.29Å; H87-E537 IonicContact CG-OE1 2.94Å; H87-E537 IonicContact ND1-OE1 3.06Å; H87-E537 PolarHBondContact ND1-OE1 2.88Å; H87-E537 IonicContact ND1-OE2 3.93Å
88	P	98.6	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.			trans	-58.4	132.9	164.9	-21.6	34	0	0	0	110.8	V113 W115 A118 P504 E537	P88-V113 HydrophobicContact CB-CG2 4.06Å; P88-V113 PolarHBondContact O-N 3.36Å; P88-W115 HydrophobicContact CG-CB 4.44Å; P88-W115 HydrophobicContact CG-CD2 3.6Å; P88-W115 HydrophobicContact CG-CE3 4.2Å; P88-W115 HydrophobicContact CG-CG 3.7Å; P88-W115 HydrophobicContact CG-CZ2 4.3Å; P88-A118 HydrophobicContact CB-CB 3.9Å; P88-P504 HydrophobicContact CG-CG 4.28Å; P88-E537 VanDerWaalsContact CD-OE2 3.3Å; P88-E537 WeakPolarHBondContact CD-OE2 3.15Å
89	M	98.4	Very high	97	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.5	-173.4	-69.3	-76.2	-142.1	0	0	110.3	H87 Y110 V111 Q112 W492 I501 V502 I807	H87-M89 WeakPolarHBondContact O-CG 3.42Å; H87-M89 PolarHBondContact O-N 3.15Å; M89-Y110 HydrophobicContact CB-CD1 3.89Å; M89-Y110 HydrophobicContact CB-CG 4.43Å; M89-V111 WeakPolarHBondContact CA-O 3.31Å; M89-Q112 VanDerWaalsContact SD-CA 3.56Å; M89-Q112 HydrophobicContact SD-CB 3.99Å; M89-W492 HydrophobicContact CB-CH2 4.01Å; M89-W492 HydrophobicContact CB-CZ2 4.24Å; M89-W492 HydrophobicContact CE-CZ2 4.23Å; M89-W492 HydrophobicContact CG-CH2 4.15Å; M89-W492 HydrophobicContact CG-CZ2 3.86Å; M89-I501 WeakPolarHBondContact O-CA 3.23Å; M89-V502 HydrophobicContact CB-CB 4.33Å; M89-V502 PolarHBondContact N-O 3.49Å; M89-V502 PolarHBondContact O-N 2.98Å; M89-I807 HydrophobicContact CE-CB 4.34Å; M89-I807 HydrophobicContact CE-CD1 3.3Å; M89-I807 HydrophobicContact CE-CG1 3.5Å; M89-I807 HydrophobicContact CE-CG2 3.84Å
90	V	98.5	Very high	96.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.4	174.9	-174.6	0	0	0	0	109	K92 Y94 L95 Y110 V111 V113 L121 D500 I501	V90-K92 PolarHBondContact O-N 2.92Å; V90-Y94 HydrophobicContact CG1-CD1 4.13Å; V90-L95 HydrophobicContact CB-CB 4.23Å; V90-L95 HydrophobicContact CB-CD1 4.45Å; V90-L95 HydrophobicContact CG1-CB 3.71Å; V90-L95 HydrophobicContact CG1-CD1 4.27Å; V90-Y110 WeakPolarHBondContact O-CA 3.35Å; V90-V111 PolarHBondContact N-O 3.05Å; V90-V111 PolarHBondContact O-N 3.4Å; V90-V113 HydrophobicContact CB-CG1 4.43Å; V90-V113 HydrophobicContact CG2-CG1 4.02Å; V90-V113 HydrophobicContact CG2-CG2 3.68Å; V90-L121 HydrophobicContact CG1-CD2 3.91Å; V90-L121 HydrophobicContact CG2-CD2 4.18Å; V90-D500 CarbonylContact C-O 3.48Å; V90-D500 WeakPolarHBondContact CA-O 3.31Å; V90-I501 HydrophobicContact CG1-CG1 4.29Å; V90-I501 HydrophobicContact CG2-CG1 4.34Å; V90-I501 HydrophobicContact CG2-CG2 4.36Å
91	R	97.9	Very high	96.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	126.8	172.6	-178.9	168.7	76	107.9	-0.6	109.4	S93 Y94 L95 A102 D108 Y110 D500	R91-S93 PolarHBondContact NH1-OG 2.95Å; R91-S93 VanDerWaalsContact NH1-OG 3.08Å; R91-S93 PolarHBondContact O-N 3.22Å; R91-Y94 WeakPolarHBondContact O-CA 3.48Å; R91-Y94 WeakPolarHBondContact O-CB 3.47Å; R91-Y94 PolarHBondContact O-N 2.99Å; R91-L95 PolarHBondContact O-N 3.42Å; R91-A102 PolarHBondContact NH1-O 3.35Å; R91-A102 PolarHBondContact NH2-O 2.94Å; R91-D108 HydrophobicContact CG-CB 3.74Å; R91-D108 WeakPolarHBondContact CG-OD2 3.3Å; R91-Y110 HydrophobicContact CB-CE1 4.23Å; R91-D500 IonicContact CZ-OD1 3.21Å; R91-D500 PolarHBondContact N-O 3.49Å; R91-D500 IonicContact NE-OD1 2.82Å; R91-D500 PolarHBondContact NE-OD1 3.38Å; R91-D500 IonicContact NH2-OD1 2.79Å; R91-D500 PolarHBondContact NH2-OD1 3.31Å
92	K	96.5	Very high	96.3	Very high	51 Å²	51	43.4 Å²	43.4	22%	0.222	24%	0.237	C	C	.	.	H	α-helix	trans	-51.3	-51.2	-169.6	179.1	66.2	171.2	74.5	0	112.7	V90 Y94 L95 D96 T109 V111	V90-K92 PolarHBondContact O-N 2.92Å; K92-Y94 PolarHBondContact O-N 3.42Å; K92-L95 PolarHBondContact O-N 3Å; K92-L95 VanDerWaalsContact O-N 3.16Å; K92-D96 IonicContact NZ-OD1 2.63Å; K92-D96 PolarHBondContact NZ-OD1 3.08Å; K92-D96 IonicContact NZ-OD2 2.65Å; K92-D96 PolarHBondContact NZ-OD2 3.14Å; K92-D96 VanDerWaalsContact O-CG 3.28Å; K92-D96 PolarHBondContact O-N 3.3Å; K92-T109 PolarHBondContact N-O 2.66Å; K92-V111 HydrophobicContact CB-CG2 4.17Å; K92-V111 HydrophobicContact CD-CG2 3.36Å; K92-V111 HydrophobicContact CG-CG2 4.37Å
93	S	96.6	Very high	96.1	Very high	14 Å²	14	47.7 Å²	47.7	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-27.4	-179.9	60	0	0	0	0	113.8	R91 N97 D108	R91-S93 PolarHBondContact NH1-OG 2.95Å; R91-S93 VanDerWaalsContact NH1-OG 3.08Å; R91-S93 PolarHBondContact O-N 3.22Å; S93-N97 PolarHBondContact O-N 3.04Å; S93-D108 WeakPolarHBondContact CB-OD2 3.34Å; S93-D108 PolarHBondContact N-OD2 3.07Å; S93-D108 PolarHBondContact OG-OD2 3.17Å
94	Y	98	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-75.8	-39.6	173.8	-164	-95.4	0	0	0	112.3	V90 R91 K92 D96 N97 P98 P101 L121 Q125 E483 M484 D500 I501	V90-Y94 HydrophobicContact CG1-CD1 4.13Å; R91-Y94 WeakPolarHBondContact O-CA 3.48Å; R91-Y94 WeakPolarHBondContact O-CB 3.47Å; R91-Y94 PolarHBondContact O-N 2.99Å; K92-Y94 PolarHBondContact O-N 3.42Å; Y94-D96 VanDerWaalsContact C-N 3.32Å; Y94-N97 CarbonylContact O-C 3.46Å; Y94-P98 HydrophobicContact CD1-CB 4.22Å; Y94-P98 HydrophobicContact CE1-CB 3.8Å; Y94-P98 HydrophobicContact CE2-CB 4.19Å; Y94-P98 WeakPolarHBondContact O-CA 3.45Å; Y94-P98 WeakPolarHBondContact O-CD 3.25Å; Y94-P98 VanDerWaalsContact O-N 3.1Å; Y94-P101 HydrophobicContact CD2-CB 3.92Å; Y94-P101 HydrophobicContact CD2-CG 3.88Å; Y94-P101 HydrophobicContact CE2-CG 4.35Å; Y94-L121 HydrophobicContact CD1-CD2 4.11Å; Y94-L121 HydrophobicContact CE1-CD1 4.38Å; Y94-L121 HydrophobicContact CE1-CD2 4.1Å; Y94-L121 HydrophobicContact CE1-CG 4.28Å; Y94-Q125 WeakPolarHBondContact OH-CG 3.14Å; Y94-E483 WeakPolarHBondContact CE2-O 3.49Å; Y94-M484 HydrophobicContact CE1-CG 4.49Å; Y94-M484 WeakPolarHBondContact OH-CB 3.32Å; Y94-M484 WeakPolarHBondContact OH-CG 3.17Å; Y94-M484 PolarHBondContact OH-SD 2.73Å; Y94-M484 VanDerWaalsContact OH-SD 3.41Å; Y94-D500 HydrophobicContact CD1-CB 3.93Å; Y94-D500 HydrophobicContact CD2-CB 3.77Å; Y94-D500 HydrophobicContact CE1-CB 4.32Å; Y94-D500 HydrophobicContact CE2-CB 4.18Å; Y94-D500 HydrophobicContact CG-CB 3.64Å; Y94-I501 HydrophobicContact CD1-CD1 4.49Å; Y94-I501 HydrophobicContact CD1-CG1 4.3Å; Y94-I501 HydrophobicContact CE1-CD1 4.06Å; Y94-I501 HydrophobicContact CE1-CG1 4.31Å
95	L	97.2	Very high	95.6	Very high	68 Å²	68	48.6 Å²	48.6	36%	0.356	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-40.4	174.4	-173.5	60.1	0	0	0	111.6	V90 R91 K92 V111 V113	V90-L95 HydrophobicContact CB-CB 4.23Å; V90-L95 HydrophobicContact CB-CD1 4.45Å; V90-L95 HydrophobicContact CG1-CB 3.71Å; V90-L95 HydrophobicContact CG1-CD1 4.27Å; R91-L95 PolarHBondContact O-N 3.42Å; K92-L95 PolarHBondContact O-N 3Å; K92-L95 VanDerWaalsContact O-N 3.16Å; L95-V111 HydrophobicContact CD2-CB 3.83Å; L95-V111 HydrophobicContact CD2-CG1 3.79Å; L95-V111 HydrophobicContact CD2-CG2 4.19Å; L95-V113 HydrophobicContact CD1-CG1 4.4Å; L95-V113 HydrophobicContact CD2-CG1 4.1Å
96	D	96.2	Very high	95.4	Very high	104 Å²	104	50.4 Å²	50.4	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-67.6	-41.1	-179.4	-70.3	-18.4	0	0	0	112.8	K92 Y94	K92-D96 IonicContact NZ-OD1 2.63Å; K92-D96 PolarHBondContact NZ-OD1 3.08Å; K92-D96 IonicContact NZ-OD2 2.65Å; K92-D96 PolarHBondContact NZ-OD2 3.14Å; K92-D96 VanDerWaalsContact O-CG 3.28Å; K92-D96 PolarHBondContact O-N 3.3Å; Y94-D96 VanDerWaalsContact C-N 3.32Å
97	N	96.5	Very high	95.1	Very high	66 Å²	66	56 Å²	56	35%	0.353	30%	0.298	S	S	.	.			trans	-153.3	88.6	179.9	-172.9	-7.3	0	0	0	111.4	S93 Y94 L99 Q100 P101	S93-N97 PolarHBondContact O-N 3.04Å; Y94-N97 CarbonylContact O-C 3.46Å; N97-L99 PolarHBondContact O-N 3.01Å; N97-L99 VanDerWaalsContact O-N 3.12Å; N97-L99 PolarHBondContact OD1-N 3.18Å; N97-Q100 CarbonylContact O-C 3.18Å; N97-Q100 VanDerWaalsContact O-C 3.24Å; N97-Q100 PolarHBondContact O-N 3.03Å; N97-Q100 VanDerWaalsContact O-N 3.16Å; N97-Q100 PolarHBondContact OD1-N 2.96Å; N97-P101 WeakPolarHBondContact O-CA 3.23Å; N97-P101 WeakPolarHBondContact O-CD 3.36Å
98	P	96	Very high	94.7	Very high	27 Å²	27	56 Å²	56	18%	0.175	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.1	-176.9	26.3	-35.1	0	0	0	113.8	Y94 L121 Q125	Y94-P98 HydrophobicContact CD1-CB 4.22Å; Y94-P98 HydrophobicContact CE1-CB 3.8Å; Y94-P98 HydrophobicContact CE2-CB 4.19Å; Y94-P98 WeakPolarHBondContact O-CA 3.45Å; Y94-P98 WeakPolarHBondContact O-CD 3.25Å; Y94-P98 VanDerWaalsContact O-N 3.1Å; P98-L121 HydrophobicContact CB-CD1 4.15Å; P98-L121 HydrophobicContact CG-CD1 4.18Å; P98-Q125 HydrophobicContact CB-CG 4.16Å
99	L	95.3	Very high	94.5	Very high	109 Å²	109	58.1 Å²	58.1	57%	0.571	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-29.6	176.5	-60.3	-179.2	0	0	0	112.5	N97	N97-L99 PolarHBondContact O-N 3.01Å; N97-L99 VanDerWaalsContact O-N 3.12Å; N97-L99 PolarHBondContact OD1-N 3.18Å
100	Q	93.5	Very high	94.5	Very high	156 Å²	156	57.8 Å²	57.8	73%	0.729	31%	0.311	S	S	*	.	S	Bend	trans	-144	64	179.9	-61.1	-176.2	12	0	0	110.4	N97	N97-Q100 CarbonylContact O-C 3.18Å; N97-Q100 VanDerWaalsContact O-C 3.24Å; N97-Q100 PolarHBondContact O-N 3.03Å; N97-Q100 VanDerWaalsContact O-N 3.16Å; N97-Q100 PolarHBondContact OD1-N 2.96Å
101	P	91.7	Very high	94.4	Very high	33 Å²	33	59.1 Å²	59.1	21%	0.214	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.3	177.9	30.4	-37.5	0	0	0	110	Y94 N97	Y94-P101 HydrophobicContact CD2-CB 3.92Å; Y94-P101 HydrophobicContact CD2-CG 3.88Å; Y94-P101 HydrophobicContact CE2-CG 4.35Å; N97-P101 WeakPolarHBondContact O-CA 3.23Å; N97-P101 WeakPolarHBondContact O-CD 3.36Å
102	A	90.1	Very high	94.4	Very high	61 Å²	61	63.5 Å²	63.5	50%	0.504	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.4	145.8	168	0	0	0	0	0	110	R91	R91-A102 PolarHBondContact NH1-O 3.35Å; R91-A102 PolarHBondContact NH2-O 2.94Å
103	K	90.1	Very high	94.5	Very high	196 Å²	196	61.6 Å²	61.6	85%	0.852	33%	0.332	S	S	*	.	S	Bend	trans	-69.5	166.3	171.7	-63.5	-176.5	-179.8	179	0	109.9
104	G	89.1	Confident	94.6	Very high	12 Å²	12	63.1 Å²	63.1	12%	0.124	34%	0.343	C	S	.	.			trans	104.2	43.1	176.9	0	0	0	0	0	113.4	G106 E107 D108	G104-G106 PolarHBondContact O-N 3.24Å; G104-E107 PolarHBondContact O-N 3.41Å; G104-D108 PolarHBondContact O-N 3.5Å
105	R	95	Very high	94.6	Very high	9 Å²	9	64.7 Å²	64.7	3%	0.034	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	127.7	164.7	-68.1	179.3	-177.6	112.4	5.3	108.2	W479 Q480 P482 E483 H498 D500	R105-W479 PolarHBondContact NH1-O 2.95Å; R105-Q480 PolarHBondContact NH1-O 3.25Å; R105-Q480 PolarHBondContact O-NE2 3.02Å; R105-Q480 VanDerWaalsContact O-NE2 3.09Å; R105-P482 VanDerWaalsContact CZ-O 3.3Å; R105-P482 PolarHBondContact NH1-O 2.83Å; R105-P482 PolarHBondContact NH2-O 3.31Å; R105-E483 PolarHBondContact NH2-O 3.43Å; R105-H498 HydrophobicContact CB-CB 4.48Å; R105-H498 WeakPolarHBondContact CD-O 3.42Å; R105-H498 PolarHBondContact O-CD2 3.41Å; R105-H498 VanDerWaalsContact O-CD2 3.23Å; R105-D500 IonicContact CZ-OD1 2.78Å; R105-D500 IonicContact CZ-OD2 3.76Å; R105-D500 VanDerWaalsContact CZ-OD2 3.24Å; R105-D500 VanDerWaalsContact NE-CG 3.33Å; R105-D500 IonicContact NE-OD1 3.66Å; R105-D500 PolarHBondContact NE-OD1 3.03Å; R105-D500 IonicContact NE-OD2 3.45Å; R105-D500 PolarHBondContact NE-OD2 2.82Å; R105-D500 IonicContact NH2-OD1 3.52Å; R105-D500 IonicContact NH2-OD2 2.77Å; R105-D500 PolarHBondContact NH2-OD2 3.39Å
106	G	92.8	Very high	94.7	Very high	38 Å²	38	68.9 Å²	68.9	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	-15.8	-173	0	0	0	0	0	114.8	G104	G104-G106 PolarHBondContact O-N 3.24Å
107	E	91.3	Very high	94.8	Very high	177 Å²	177	69.3 Å²	69.3	83%	0.827	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-21.5	-179.9	-61.7	174.5	179	0	0	112.7	G104	G104-E107 PolarHBondContact O-N 3.41Å
108	D	89.6	Confident	94.9	Very high	40 Å²	40	66.2 Å²	66.2	21%	0.214	35%	0.349	C	S	.	.	S	Bend	trans	-77.7	162.2	179.4	-162	4.1	0	0	0	112.6	R91 S93 G104	R91-D108 HydrophobicContact CG-CB 3.74Å; R91-D108 WeakPolarHBondContact CG-OD2 3.3Å; S93-D108 WeakPolarHBondContact CB-OD2 3.34Å; S93-D108 PolarHBondContact N-OD2 3.07Å; S93-D108 PolarHBondContact OG-OD2 3.17Å; G104-D108 PolarHBondContact O-N 3.5Å
109	T	94.4	Very high	95	Very high	45 Å²	45	65.4 Å²	65.4	28%	0.276	34%	0.343	S	S	.	.			trans	-86.1	160.9	173.8	60.1	0	0	0	0	111.7	K92 A806	K92-T109 PolarHBondContact N-O 2.66Å; T109-A806 WeakPolarHBondContact CA-O 3.47Å; T109-A806 HydrophobicContact CG2-CB 3.95Å
110	Y	97.6	Very high	95.2	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.9	173.6	-73.2	-95.2	0	0	0	111.6	M89 V90 R91 W492 A496 K497 A499 V502 P805 A806 I807 Q808	M89-Y110 HydrophobicContact CB-CD1 3.89Å; M89-Y110 HydrophobicContact CB-CG 4.43Å; V90-Y110 WeakPolarHBondContact O-CA 3.35Å; R91-Y110 HydrophobicContact CB-CE1 4.23Å; Y110-W492 AromaticContact CD1-CH2 3.93Å; Y110-W492 HydrophobicContact CD1-CH2 3.93Å; Y110-W492 HydrophobicContact CD1-CZ3 4.46Å; Y110-W492 HydrophobicContact CD2-CH2 4.12Å; Y110-W492 HydrophobicContact CD2-CZ3 4.36Å; Y110-W492 HydrophobicContact CE1-CH2 4.09Å; Y110-W492 HydrophobicContact CE1-CZ3 4.18Å; Y110-W492 HydrophobicContact CE2-CH2 4.28Å; Y110-W492 HydrophobicContact CE2-CZ3 4.09Å; Y110-W492 AromaticContact CG-CH2 3.94Å; Y110-W492 HydrophobicContact CG-CH2 3.94Å; Y110-W492 AromaticContact CZ-CZ3 3.99Å; Y110-A496 PolarHBondContact OH-O 2.8Å; Y110-K497 PolarHBondContact OH-O 3.32Å; Y110-A499 PolarHBondContact OH-N 2.83Å; Y110-A499 PolarHBondContact OH-O 2.99Å; Y110-V502 HydrophobicContact CE1-CG2 3.89Å; Y110-P805 HydrophobicContact CD2-CB 3.96Å; Y110-P805 HydrophobicContact CD2-CG 3.73Å; Y110-P805 HydrophobicContact CE2-CB 4.16Å; Y110-P805 HydrophobicContact CE2-CG 4.08Å; Y110-A806 PolarHBondContact N-O 3.41Å; Y110-I807 CarbonylContact O-C 3.56Å; Y110-I807 WeakPolarHBondContact O-CA 3.36Å; Y110-Q808 PolarHBondContact O-N 2.98Å
111	V	98.1	Very high	95.4	Very high	28 Å²	28	58.9 Å²	58.9	17%	0.17	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.8	172.6	-177.9	0	0	0	0	108.5	M89 V90 K92 L95 Q808	M89-V111 WeakPolarHBondContact CA-O 3.31Å; V90-V111 PolarHBondContact N-O 3.05Å; V90-V111 PolarHBondContact O-N 3.4Å; K92-V111 HydrophobicContact CB-CG2 4.17Å; K92-V111 HydrophobicContact CD-CG2 3.36Å; K92-V111 HydrophobicContact CG-CG2 4.37Å; L95-V111 HydrophobicContact CD2-CB 3.83Å; L95-V111 HydrophobicContact CD2-CG1 3.79Å; L95-V111 HydrophobicContact CD2-CG2 4.19Å; V111-Q808 HydrophobicContact CG2-CB 4.49Å
112	Q	97.7	Very high	95.7	Very high	97 Å²	97	57.3 Å²	57.3	45%	0.453	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	132.6	171.2	176.9	177.2	-13.3	0	0	109.9	H87 M89	H87-Q112 HydrophobicContact CB-CG 3.8Å; H87-Q112 PolarHBondContact ND1-NE2 3.2Å; M89-Q112 VanDerWaalsContact SD-CA 3.56Å; M89-Q112 HydrophobicContact SD-CB 3.99Å
113	V	98.3	Very high	96.1	Very high	10 Å²	10	56.5 Å²	56.5	6%	0.061	28%	0.284	C	S	.	.			trans	-130.8	162.2	175	-59.3	0	0	0	0	110.4	P88 V90 L95 Q117 A118	P88-V113 HydrophobicContact CB-CG2 4.06Å; P88-V113 PolarHBondContact O-N 3.36Å; V90-V113 HydrophobicContact CB-CG1 4.43Å; V90-V113 HydrophobicContact CG2-CG1 4.02Å; V90-V113 HydrophobicContact CG2-CG2 3.68Å; L95-V113 HydrophobicContact CD1-CG1 4.4Å; L95-V113 HydrophobicContact CD2-CG1 4.1Å; V113-Q117 HydrophobicContact CB-CB 4.15Å; V113-A118 HydrophobicContact CG2-CB 3.91Å
114	S	98.3	Very high	96.5	Very high	47 Å²	47	51.2 Å²	51.2	33%	0.329	26%	0.262	S	S	.	.			trans	-69.1	157.5	170.2	64.1	0	0	0	0	111.7	E116 Q117 A118	S114-E116 VanDerWaalsContact C-N 3.26Å; S114-E116 PolarHBondContact O-N 3.26Å; S114-Q117 PolarHBondContact O-N 2.94Å; S114-Q117 WeakPolarHBondContact OG-CB 3.43Å; S114-Q117 VanDerWaalsContact OG-CG 3.26Å; S114-Q117 WeakPolarHBondContact OG-CG 3.45Å; S114-Q117 PolarHBondContact OG-N 3.39Å; S114-Q117 PolarHBondContact OG-OE1 2.95Å; S114-A118 PolarHBondContact O-N 3.47Å
115	W	98.6	Very high	97	Very high	32 Å²	32	51.3 Å²	51.3	12%	0.121	26%	0.259	C	S	.	.	H	α-helix	trans	-54.7	-41.3	170.5	-86.3	103.5	0	0	0	112.6	P88 Q117 A118 L119 L503 P504 E537 R539 V544	P88-W115 HydrophobicContact CG-CB 4.44Å; P88-W115 HydrophobicContact CG-CD2 3.6Å; P88-W115 HydrophobicContact CG-CE3 4.2Å; P88-W115 HydrophobicContact CG-CG 3.7Å; P88-W115 HydrophobicContact CG-CZ2 4.3Å; W115-Q117 PolarHBondContact O-N 3.45Å; W115-A118 PolarHBondContact O-N 2.61Å; W115-L119 HydrophobicContact CE3-CD1 4.36Å; W115-L119 HydrophobicContact CE3-CD2 4.22Å; W115-L119 HydrophobicContact CE3-CG 4.24Å; W115-L119 HydrophobicContact CZ3-CD2 4.34Å; W115-L119 WeakPolarHBondContact O-CB 3.2Å; W115-L119 VanDerWaalsContact O-CG 3.24Å; W115-L119 WeakPolarHBondContact O-CG 3.31Å; W115-L119 PolarHBondContact O-N 3.22Å; W115-L503 HydrophobicContact CE3-CD2 4.48Å; W115-L503 HydrophobicContact CH2-CB 4.05Å; W115-L503 HydrophobicContact CZ3-CB 4.18Å; W115-L503 HydrophobicContact CZ3-CD1 4.37Å; W115-L503 HydrophobicContact CZ3-CD2 3.91Å; W115-L503 HydrophobicContact CZ3-CG 4.38Å; W115-P504 HydrophobicContact CH2-CG 4.34Å; W115-P504 HydrophobicContact CZ2-CG 3.66Å; W115-P504 WeakPolarHBondContact CZ2-O 3.38Å; W115-E537 WeakPolarHBondContact CZ2-O 3.4Å; W115-E537 PolarHBondContact NE1-O 3.43Å; W115-R539 HydrophobicContact CH2-CB 4.14Å; W115-R539 HydrophobicContact CH2-CG 4.35Å; W115-R539 HydrophobicContact CZ2-CB 3.82Å; W115-R539 HydrophobicContact CZ2-CG 3.63Å; W115-V544 HydrophobicContact CH2-CG2 3.52Å; W115-V544 HydrophobicContact CZ2-CG2 4.44Å; W115-V544 HydrophobicContact CZ3-CB 4.42Å; W115-V544 HydrophobicContact CZ3-CG1 3.96Å; W115-V544 HydrophobicContact CZ3-CG2 3.56Å
116	E	98.4	Very high	97.1	Very high	156 Å²	156	51 Å²	51	73%	0.729	26%	0.258	S	S	*	.	H	α-helix	trans	-59.6	-47.1	178	-174.6	-175.8	163.3	0	0	111.5	S114 K120	S114-E116 VanDerWaalsContact C-N 3.26Å; S114-E116 PolarHBondContact O-N 3.26Å; E116-K120 WeakPolarHBondContact O-CB 3.44Å; E116-K120 PolarHBondContact O-N 3.32Å
117	Q	98.3	Very high	97.3	Very high	114 Å²	114	51.9 Å²	51.9	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-44.6	177.7	-73.5	165.6	-48.3	0	0	112	V113 S114 W115 L121	V113-Q117 HydrophobicContact CB-CB 4.15Å; S114-Q117 PolarHBondContact O-N 2.94Å; S114-Q117 WeakPolarHBondContact OG-CB 3.43Å; S114-Q117 VanDerWaalsContact OG-CG 3.26Å; S114-Q117 WeakPolarHBondContact OG-CG 3.45Å; S114-Q117 PolarHBondContact OG-N 3.39Å; S114-Q117 PolarHBondContact OG-OE1 2.95Å; W115-Q117 PolarHBondContact O-N 3.45Å; Q117-L121 WeakPolarHBondContact O-CB 3.37Å; Q117-L121 PolarHBondContact O-N 3.02Å
118	A	98.7	Very high	97.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-48.3	178.9	0	0	0	0	0	111.8	P88 V113 S114 W115 L121 I122 L503	P88-A118 HydrophobicContact CB-CB 3.9Å; V113-A118 HydrophobicContact CG2-CB 3.91Å; S114-A118 PolarHBondContact O-N 3.47Å; W115-A118 PolarHBondContact O-N 2.61Å; A118-L121 PolarHBondContact O-N 3.06Å; A118-I122 VanDerWaalsContact O-CG1 3.29Å; A118-I122 WeakPolarHBondContact O-CG1 3.49Å; A118-I122 PolarHBondContact O-N 3.28Å; A118-L503 HydrophobicContact CB-CD2 4.05Å
119	L	98.7	Very high	98	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-38.8	-178.6	-61	175.5	0	0	0	112	W115 I122 H123 V544 D547 L548 L551	W115-L119 HydrophobicContact CE3-CD1 4.36Å; W115-L119 HydrophobicContact CE3-CD2 4.22Å; W115-L119 HydrophobicContact CE3-CG 4.24Å; W115-L119 HydrophobicContact CZ3-CD2 4.34Å; W115-L119 WeakPolarHBondContact O-CB 3.2Å; W115-L119 VanDerWaalsContact O-CG 3.24Å; W115-L119 WeakPolarHBondContact O-CG 3.31Å; W115-L119 PolarHBondContact O-N 3.22Å; L119-I122 PolarHBondContact O-N 2.9Å; L119-H123 VanDerWaalsContact O-CB 3.31Å; L119-H123 WeakPolarHBondContact O-CB 3.4Å; L119-H123 PolarHBondContact O-N 3.4Å; L119-V544 HydrophobicContact CD2-CG1 3.92Å; L119-D547 HydrophobicContact CD1-CB 4.02Å; L119-L548 HydrophobicContact CB-CD2 4.18Å; L119-L548 HydrophobicContact CD2-CD1 3.85Å; L119-L548 HydrophobicContact CD2-CD2 3.97Å; L119-L548 HydrophobicContact CD2-CG 3.73Å; L119-L551 HydrophobicContact CB-CD1 4.02Å
120	K	98.4	Very high	98.1	Very high	108 Å²	108	44.3 Å²	44.3	47%	0.47	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-47.8	173.4	-179.5	175.6	-179.9	-68.6	0	111.4	E116 I122 H123 E124	E116-K120 WeakPolarHBondContact O-CB 3.44Å; E116-K120 PolarHBondContact O-N 3.32Å; K120-I122 PolarHBondContact O-N 3.02Å; K120-H123 PolarHBondContact O-N 3.49Å; K120-E124 VanDerWaalsContact CE-OE1 3.24Å; K120-E124 WeakPolarHBondContact CE-OE1 3.29Å; K120-E124 HydrophobicContact CG-CG 4.45Å; K120-E124 IonicContact NZ-OE1 2.64Å; K120-E124 PolarHBondContact NZ-OE1 2.92Å; K120-E124 IonicContact NZ-OE2 3.44Å; K120-E124 PolarHBondContact NZ-OE2 3.49Å; K120-E124 WeakPolarHBondContact O-CB 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.24Å; K120-E124 PolarHBondContact O-N 2.91Å
121	L	98.6	Very high	98	Very high	21 Å²	21	51.7 Å²	51.7	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-45.5	178.7	-179.9	60.7	0	0	0	111.7	V90 Y94 P98 Q117 A118 H123 Q125 I501	V90-L121 HydrophobicContact CG1-CD2 3.91Å; V90-L121 HydrophobicContact CG2-CD2 4.18Å; Y94-L121 HydrophobicContact CD1-CD2 4.11Å; Y94-L121 HydrophobicContact CE1-CD1 4.38Å; Y94-L121 HydrophobicContact CE1-CD2 4.1Å; Y94-L121 HydrophobicContact CE1-CG 4.28Å; P98-L121 HydrophobicContact CB-CD1 4.15Å; P98-L121 HydrophobicContact CG-CD1 4.18Å; Q117-L121 WeakPolarHBondContact O-CB 3.37Å; Q117-L121 PolarHBondContact O-N 3.02Å; A118-L121 PolarHBondContact O-N 3.06Å; L121-H123 PolarHBondContact O-N 3.32Å; L121-Q125 HydrophobicContact CD1-CG 3.99Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 WeakPolarHBondContact O-CG 3.45Å; L121-Q125 PolarHBondContact O-N 3.31Å; L121-Q125 VanDerWaalsContact O-N 3.08Å; L121-I501 HydrophobicContact CB-CD1 4.45Å; L121-I501 HydrophobicContact CD2-CD1 3.77Å; L121-I501 HydrophobicContact CD2-CG1 4.31Å; L121-I501 HydrophobicContact CG-CD1 3.86Å
122	I	98.7	Very high	98	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-48.8	175.4	-70.4	166.2	0	0	0	110.5	A118 L119 K120 Q125 H126 W459 V486 I501 L503 L548	A118-I122 VanDerWaalsContact O-CG1 3.29Å; A118-I122 WeakPolarHBondContact O-CG1 3.49Å; A118-I122 PolarHBondContact O-N 3.28Å; L119-I122 PolarHBondContact O-N 2.9Å; K120-I122 PolarHBondContact O-N 3.02Å; I122-Q125 PolarHBondContact O-N 3.38Å; I122-H126 WeakPolarHBondContact O-CB 3.49Å; I122-H126 PolarHBondContact O-N 2.85Å; I122-W459 HydrophobicContact CD1-CH2 4.3Å; I122-W459 HydrophobicContact CG2-CH2 3.73Å; I122-W459 HydrophobicContact CG2-CZ3 3.58Å; I122-V486 HydrophobicContact CD1-CG1 3.9Å; I122-V486 HydrophobicContact CG1-CG1 4.43Å; I122-V486 HydrophobicContact CG1-CG2 4.15Å; I122-I501 HydrophobicContact CD1-CD1 4.5Å; I122-I501 HydrophobicContact CD1-CG2 3.96Å; I122-I501 HydrophobicContact CG1-CD1 3.56Å; I122-I501 HydrophobicContact CG1-CG2 4.16Å; I122-L503 HydrophobicContact CD1-CD1 3.83Å; I122-L503 HydrophobicContact CD1-CD2 4.02Å; I122-L503 HydrophobicContact CD1-CG 4.26Å; I122-L548 HydrophobicContact CB-CD2 4.34Å; I122-L548 HydrophobicContact CG2-CD2 4.01Å
123	H	98.4	Very high	97.8	Very high	44 Å²	44	52 Å²	52	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-51.1	-178.7	169.9	72.5	0	0	0	111.6	L119 K120 L121 Q125 H126 D127 L551	L119-H123 VanDerWaalsContact O-CB 3.31Å; L119-H123 WeakPolarHBondContact O-CB 3.4Å; L119-H123 PolarHBondContact O-N 3.4Å; K120-H123 PolarHBondContact O-N 3.49Å; L121-H123 PolarHBondContact O-N 3.32Å; H123-Q125 PolarHBondContact O-N 3.38Å; H123-H126 PolarHBondContact O-N 2.97Å; H123-D127 VanDerWaalsContact O-CB 3.29Å; H123-D127 WeakPolarHBondContact O-CB 3.44Å; H123-D127 PolarHBondContact O-N 3.34Å; H123-L551 HydrophobicContact CB-CB 4.22Å; H123-L551 HydrophobicContact CB-CD1 4.04Å; H123-L551 PolarHBondContact CE1-O 3.38Å
124	E	98.2	Very high	97.6	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-43.5	-178.6	-72.3	173.3	167.5	0	0	112.3	K120 R128	K120-E124 VanDerWaalsContact CE-OE1 3.24Å; K120-E124 WeakPolarHBondContact CE-OE1 3.29Å; K120-E124 HydrophobicContact CG-CG 4.45Å; K120-E124 IonicContact NZ-OE1 2.64Å; K120-E124 PolarHBondContact NZ-OE1 2.92Å; K120-E124 IonicContact NZ-OE2 3.44Å; K120-E124 PolarHBondContact NZ-OE2 3.49Å; K120-E124 WeakPolarHBondContact O-CB 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.24Å; K120-E124 PolarHBondContact O-N 2.91Å; E124-R128 WeakPolarHBondContact O-CB 3.29Å; E124-R128 PolarHBondContact O-N 3.46Å
125	Q	98.4	Very high	97.4	Very high	15 Å²	15	51.3 Å²	51.3	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-76.8	-37.2	-178.7	-63.9	-57.7	-43.8	0	0	112.5	Y94 P98 L121 I122 H123 R128 I129 M484	Y94-Q125 WeakPolarHBondContact OH-CG 3.14Å; P98-Q125 HydrophobicContact CB-CG 4.16Å; L121-Q125 HydrophobicContact CD1-CG 3.99Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 WeakPolarHBondContact O-CG 3.45Å; L121-Q125 PolarHBondContact O-N 3.31Å; L121-Q125 VanDerWaalsContact O-N 3.08Å; I122-Q125 PolarHBondContact O-N 3.38Å; H123-Q125 PolarHBondContact O-N 3.38Å; Q125-R128 PolarHBondContact O-N 2.95Å; Q125-I129 WeakPolarHBondContact O-CB 3.44Å; Q125-I129 VanDerWaalsContact O-CG1 3.26Å; Q125-I129 WeakPolarHBondContact O-CG1 3.27Å; Q125-I129 PolarHBondContact O-N 3.05Å; Q125-M484 HydrophobicContact CB-CE 4.13Å; Q125-M484 HydrophobicContact CB-SD 3.51Å; Q125-M484 VanDerWaalsContact CB-SD 3.51Å; Q125-M484 HydrophobicContact CG-SD 4.36Å
126	H	98	Very high	97.2	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-48.8	173.1	176.2	-154	0	0	0	111.2	I122 H123 R128 I129 R130 Y161 A165 M457 M484	I122-H126 WeakPolarHBondContact O-CB 3.49Å; I122-H126 PolarHBondContact O-N 2.85Å; H123-H126 PolarHBondContact O-N 2.97Å; H126-R128 PolarHBondContact O-N 3.26Å; H126-I129 PolarHBondContact O-N 3.46Å; H126-R130 PolarHBondContact NE2-NE 3.3Å; H126-R130 PolarHBondContact NE2-NH2 3.39Å; H126-R130 VanDerWaalsContact O-CB 3.25Å; H126-R130 WeakPolarHBondContact O-CB 3.45Å; H126-R130 PolarHBondContact O-N 3.32Å; H126-Y161 PolarHBondContact ND1-OH 2.89Å; H126-A165 VanDerWaalsContact CE1-CB 3.49Å; H126-A165 WeakPolarHBondContact CE1-CB 3.23Å; H126-M457 HydrophobicContact CB-CE 4.36Å; H126-M457 HydrophobicContact CB-SD 4.05Å; H126-M484 HydrophobicContact CB-CE 4.3Å
127	D	97.2	Very high	97.1	Very high	56 Å²	56	44.4 Å²	44.4	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-45.1	177.9	179	64.9	0	0	0	111.5	H123 R130 K131	H123-D127 VanDerWaalsContact O-CB 3.29Å; H123-D127 WeakPolarHBondContact O-CB 3.44Å; H123-D127 PolarHBondContact O-N 3.34Å; D127-R130 PolarHBondContact O-N 2.61Å; D127-K131 VanDerWaalsContact CG-NZ 3.26Å; D127-K131 WeakPolarHBondContact O-CB 3.43Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.93Å; D127-K131 WeakPolarHBondContact OD1-CE 3.45Å; D127-K131 IonicContact OD1-NZ 3.79Å; D127-K131 PolarHBondContact OD1-NZ 3.39Å; D127-K131 WeakPolarHBondContact OD2-CE 3.36Å; D127-K131 IonicContact OD2-NZ 2.72Å; D127-K131 PolarHBondContact OD2-NZ 3.41Å
128	R	97.9	Very high	97.1	Very high	71 Å²	71	39 Å²	39	27%	0.268	20%	0.203	S	C	.	.	H	α-helix	trans	-57.5	-53.4	175.5	-177.6	-172.7	65	74.2	-3.4	112.3	E124 Q125 H126 R130 K131 A132 E483	E124-R128 WeakPolarHBondContact O-CB 3.29Å; E124-R128 PolarHBondContact O-N 3.46Å; Q125-R128 PolarHBondContact O-N 2.95Å; H126-R128 PolarHBondContact O-N 3.26Å; R128-R130 VanDerWaalsContact C-N 3.32Å; R128-R130 PolarHBondContact O-N 2.98Å; R128-K131 PolarHBondContact O-N 3.41Å; R128-A132 WeakPolarHBondContact O-CB 3.41Å; R128-A132 PolarHBondContact O-N 3.02Å; R128-A132 VanDerWaalsContact O-N 3.1Å; R128-E483 IonicContact CZ-OE2 3.33Å; R128-E483 IonicContact NH1-OE2 2.78Å; R128-E483 PolarHBondContact NH1-OE2 3.46Å; R128-E483 IonicContact NH2-OE2 3.06Å; R128-E483 PolarHBondContact NH2-OE2 2.99Å
129	I	97.8	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-44	-176.8	-68.8	169	0	0	0	110.1	Q125 H126 A132 N133 A137 I138 K456 M457 E483 M484	Q125-I129 WeakPolarHBondContact O-CB 3.44Å; Q125-I129 VanDerWaalsContact O-CG1 3.26Å; Q125-I129 WeakPolarHBondContact O-CG1 3.27Å; Q125-I129 PolarHBondContact O-N 3.05Å; H126-I129 PolarHBondContact O-N 3.46Å; I129-A132 PolarHBondContact O-N 2.92Å; I129-N133 WeakPolarHBondContact O-CB 3.39Å; I129-N133 PolarHBondContact O-N 3.22Å; I129-N133 PolarHBondContact O-ND2 3.27Å; I129-A137 HydrophobicContact CG2-CB 4.5Å; I129-I138 HydrophobicContact CB-CD1 4.14Å; I129-I138 HydrophobicContact CG2-CD1 3.52Å; I129-K456 HydrophobicContact CG2-CB 3.49Å; I129-K456 VanDerWaalsContact CG2-CB 3.49Å; I129-K456 HydrophobicContact CG2-CG 4.34Å; I129-M457 HydrophobicContact CD1-CB 4.04Å; I129-M457 HydrophobicContact CG2-CB 4.34Å; I129-E483 HydrophobicContact CD1-CB 4.02Å; I129-M484 HydrophobicContact CD1-CB 3.92Å
130	R	95.4	Very high	96.9	Very high	33 Å²	33	38.7 Å²	38.7	13%	0.125	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-51.1	178.3	178.3	175.4	-65.3	-83	-0.3	111.8	H126 D127 R128 A132 N133 G134 A165 G166 G167	H126-R130 PolarHBondContact NE2-NE 3.3Å; H126-R130 PolarHBondContact NE2-NH2 3.39Å; H126-R130 VanDerWaalsContact O-CB 3.25Å; H126-R130 WeakPolarHBondContact O-CB 3.45Å; H126-R130 PolarHBondContact O-N 3.32Å; D127-R130 PolarHBondContact O-N 2.61Å; R128-R130 VanDerWaalsContact C-N 3.32Å; R128-R130 PolarHBondContact O-N 2.98Å; R130-A132 PolarHBondContact O-N 3.24Å; R130-N133 PolarHBondContact O-N 2.87Å; R130-G134 WeakPolarHBondContact O-CA 3.34Å; R130-G134 PolarHBondContact O-N 3.42Å; R130-A165 VanDerWaalsContact CD-O 3.25Å; R130-A165 WeakPolarHBondContact CD-O 3.23Å; R130-A165 PolarHBondContact NE-O 3.34Å; R130-A165 PolarHBondContact NH1-O 3.24Å; R130-G166 PolarHBondContact NH1-O 2.92Å; R130-G167 VanDerWaalsContact CZ-O 3.27Å; R130-G167 PolarHBondContact NH1-O 3.36Å; R130-G167 PolarHBondContact NH2-O 3.42Å
131	K	96.2	Very high	96.6	Very high	158 Å²	158	33.5 Å²	33.5	69%	0.687	18%	0.179	S	C	*	.	H	α-helix	trans	-59.5	-35.1	178.8	-77	172.9	175.6	161.8	0	112.6	D127 R128	D127-K131 VanDerWaalsContact CG-NZ 3.26Å; D127-K131 WeakPolarHBondContact O-CB 3.43Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.93Å; D127-K131 WeakPolarHBondContact OD1-CE 3.45Å; D127-K131 IonicContact OD1-NZ 3.79Å; D127-K131 PolarHBondContact OD1-NZ 3.39Å; D127-K131 WeakPolarHBondContact OD2-CE 3.36Å; D127-K131 IonicContact OD2-NZ 2.72Å; D127-K131 PolarHBondContact OD2-NZ 3.41Å; R128-K131 PolarHBondContact O-N 3.41Å
132	A	97.1	Very high	96.4	Very high	73 Å²	73	32.5 Å²	32.5	60%	0.603	17%	0.174	S	C	*	.	H	α-helix	trans	-81.7	-28.5	-178.3	0	0	0	0	0	114.3	R128 I129 R130	R128-A132 WeakPolarHBondContact O-CB 3.41Å; R128-A132 PolarHBondContact O-N 3.02Å; R128-A132 VanDerWaalsContact O-N 3.1Å; I129-A132 PolarHBondContact O-N 2.92Å; R130-A132 PolarHBondContact O-N 3.24Å
133	N	95.3	Very high	96.3	Very high	59 Å²	59	33.9 Å²	33.9	32%	0.316	18%	0.179	S	C	.	.	H	α-helix	trans	-131.2	-8.8	-167.6	-54.9	-91	0	0	0	115.1	I129 R130 A137 K456	I129-N133 WeakPolarHBondContact O-CB 3.39Å; I129-N133 PolarHBondContact O-N 3.22Å; I129-N133 PolarHBondContact O-ND2 3.27Å; R130-N133 PolarHBondContact O-N 2.87Å; N133-A137 HydrophobicContact CB-CB 3.39Å; N133-K456 HydrophobicContact CB-CG 4.43Å
134	G	93.5	Very high	96.1	Very high	23 Å²	23	32 Å²	32	24%	0.237	17%	0.172	C	C	.	.			trans	78.6	176.8	-175.3	0	0	0	0	0	114.6	R130 S136 A137	R130-G134 WeakPolarHBondContact O-CA 3.34Å; R130-G134 PolarHBondContact O-N 3.42Å; G134-S136 VanDerWaalsContact C-N 3.32Å; G134-S136 PolarHBondContact O-N 3.21Å; G134-A137 PolarHBondContact O-N 2.92Å
135	P	93.4	Very high	96	Very high	19 Å²	19	29 Å²	29	12%	0.123	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64.6	-31.1	-174.7	23.8	-33.7	0	0	0	113.9	A137 I138 G166 Y168	P135-A137 PolarHBondContact O-N 3.37Å; P135-A137 VanDerWaalsContact O-N 3.12Å; P135-I138 PolarHBondContact O-N 2.91Å; P135-G166 WeakPolarHBondContact CB-O 3.5Å; P135-Y168 WeakPolarHBondContact O-CA 3.19Å
136	S	94.2	Very high	95.9	Very high	41 Å²	41	28.9 Å²	28.9	29%	0.287	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-63.4	-20.1	-179.8	59.8	0	0	0	0	113.2	G134 I138 S169	G134-S136 VanDerWaalsContact C-N 3.32Å; G134-S136 PolarHBondContact O-N 3.21Å; S136-I138 VanDerWaalsContact C-N 3.29Å; S136-S169 VanDerWaalsContact C-OG 3.31Å; S136-S169 VanDerWaalsContact CA-OG 3.29Å; S136-S169 WeakPolarHBondContact CA-OG 3.39Å; S136-S169 PolarHBondContact O-OG 2.97Å
137	A	96.9	Very high	95.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-78.8	-10.5	176.4	0	0	0	0	0	113.8	I129 N133 G134 P135 N454 K456 M457	I129-A137 HydrophobicContact CG2-CB 4.5Å; N133-A137 HydrophobicContact CB-CB 3.39Å; G134-A137 PolarHBondContact O-N 2.92Å; P135-A137 PolarHBondContact O-N 3.37Å; P135-A137 VanDerWaalsContact O-N 3.12Å; A137-N454 WeakPolarHBondContact CA-O 2.96Å; A137-K456 HydrophobicContact CB-CB 4.12Å; A137-K456 HydrophobicContact CB-CG 3.94Å; A137-K456 PolarHBondContact O-N 3.19Å; A137-M457 PolarHBondContact O-N 3.37Å
138	I	97.5	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110	-180	-48.1	-57.5	0	0	0	108.8	I129 P135 S136 M162 Y168 S169 M457	I129-I138 HydrophobicContact CB-CD1 4.14Å; I129-I138 HydrophobicContact CG2-CD1 3.52Å; P135-I138 PolarHBondContact O-N 2.91Å; S136-I138 VanDerWaalsContact C-N 3.29Å; I138-M162 HydrophobicContact CG2-CE 3.96Å; I138-M162 HydrophobicContact CG2-SD 3.95Å; I138-Y168 CarbonylContact O-C 3.48Å; I138-Y168 WeakPolarHBondContact O-CA 3.01Å; I138-Y168 WeakPolarHBondContact O-CB 3.44Å; I138-S169 PolarHBondContact O-N 3.13Å; I138-M457 HydrophobicContact CD1-CB 3.62Å; I138-M457 HydrophobicContact CD1-CG 4.31Å; I138-M457 HydrophobicContact CD1-SD 3.86Å; I138-M457 HydrophobicContact CG2-CB 4.4Å; I138-M457 HydrophobicContact CG2-CE 4.48Å; I138-M457 HydrophobicContact CG2-CG 4.32Å; I138-M457 HydrophobicContact CG2-SD 3.95Å
139	F	97.4	Very high	95.7	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.1	174.7	-176.6	-95	0	0	0	111	S169 G170 I427 I432 I455 M457 I458 W459 W460	F139-S169 WeakPolarHBondContact CA-O 3.2Å; F139-S169 WeakPolarHBondContact CD2-O 3.44Å; F139-G170 WeakPolarHBondContact CE2-O 3.31Å; F139-I427 HydrophobicContact CE2-CD1 4.13Å; F139-I427 HydrophobicContact CE2-CG1 4.27Å; F139-I432 HydrophobicContact CD1-CD1 4.21Å; F139-I432 HydrophobicContact CD2-CD1 4.09Å; F139-I432 HydrophobicContact CE1-CD1 4.15Å; F139-I432 HydrophobicContact CE2-CD1 4.03Å; F139-I432 HydrophobicContact CG-CD1 4.17Å; F139-I432 HydrophobicContact CZ-CD1 4.05Å; F139-I455 HydrophobicContact CB-CD1 4.07Å; F139-I455 HydrophobicContact CB-CG1 4.29Å; F139-I455 HydrophobicContact CB-CG2 3.69Å; F139-I455 HydrophobicContact CD2-CD1 4.04Å; F139-I455 HydrophobicContact CG-CD1 4.27Å; F139-M457 PolarHBondContact N-O 3.39Å; F139-I458 HydrophobicContact CB-CG1 4.28Å; F139-I458 HydrophobicContact CD1-CG2 4.27Å; F139-I458 WeakPolarHBondContact O-CA 3.22Å; F139-W459 PolarHBondContact O-N 2.78Å; F139-W460 HydrophobicContact CD1-CZ3 4.38Å; F139-W460 HydrophobicContact CE1-CE3 4.36Å; F139-W460 HydrophobicContact CE1-CH2 4.1Å; F139-W460 AromaticContact CE1-CZ3 3.76Å; F139-W460 HydrophobicContact CE1-CZ3 3.76Å
140	A	96.3	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.			trans	-129.3	23	176.1	0	0	0	0	0	112	S142 L158 M162 Y168 S169	A140-S142 VanDerWaalsContact C-N 3.35Å; A140-L158 HydrophobicContact CB-CD2 4.2Å; A140-L158 HydrophobicContact CB-CG 4.25Å; A140-M162 HydrophobicContact CB-CB 4.48Å; A140-M162 HydrophobicContact CB-CE 4.15Å; A140-M162 HydrophobicContact CB-CG 3.68Å; A140-M162 HydrophobicContact CB-SD 4.41Å; A140-Y168 HydrophobicContact CB-CD2 3.7Å; A140-Y168 HydrophobicContact CB-CE2 4.35Å; A140-Y168 HydrophobicContact CB-CG 3.91Å; A140-S169 PolarHBondContact N-O 2.89Å
141	G	92.5	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.			trans	-57.1	-47.6	173.2	0	0	0	0	0	111.6	Y143 Q155 S169 H171	G141-Y143 PolarHBondContact O-N 2.8Å; G141-Q155 PolarHBondContact O-NE2 2.76Å; G141-S169 PolarHBondContact N-O 3.4Å; G141-H171 VanDerWaalsContact C-CD2 3.48Å; G141-H171 PolarHBondContact O-NE2 2.98Å
142	S	94.5	Very high	96	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.102	C	C	.	.			trans	50.8	52.3	166.9	-175.1	0	0	0	0	115.3	A140 G144 Q155 W460 A461	A140-S142 VanDerWaalsContact C-N 3.35Å; S142-G144 PolarHBondContact O-N 2.87Å; S142-Q155 VanDerWaalsContact O-CD 3.32Å; S142-Q155 WeakPolarHBondContact O-CG 3.36Å; S142-Q155 PolarHBondContact O-NE2 2.97Å; S142-W460 VanDerWaalsContact OG-CD1 3.3Å; S142-A461 PolarHBondContact OG-N 3.24Å; S142-A461 PolarHBondContact OG-O 3.03Å
143	Y	95.7	Very high	96	Very high	28 Å²	28	13 Å²	13	11%	0.11	8%	0.078	C	C	.	.			trans	-56.9	133.3	178.7	-176.9	-97.4	0	0	0	111.9	G141 H171 D174 Y175 V429 W460 H468	G141-Y143 PolarHBondContact O-N 2.8Å; Y143-H171 AromaticContact CD2-CE1 3.76Å; Y143-D174 HydrophobicContact CD2-CB 4.46Å; Y143-D174 HydrophobicContact CE2-CB 3.46Å; Y143-D174 VanDerWaalsContact CE2-CB 3.46Å; Y143-Y175 AromaticContact CD1-CD2 3.43Å; Y143-Y175 HydrophobicContact CD1-CD2 3.43Å; Y143-Y175 VanDerWaalsContact CD1-CD2 3.43Å; Y143-Y175 AromaticContact CD1-CE2 3.98Å; Y143-Y175 HydrophobicContact CD1-CE2 3.98Å; Y143-Y175 HydrophobicContact CD1-CG 4.43Å; Y143-Y175 AromaticContact CE1-CD2 3.46Å; Y143-Y175 HydrophobicContact CE1-CD2 3.46Å; Y143-Y175 VanDerWaalsContact CE1-CD2 3.46Å; Y143-Y175 HydrophobicContact CE1-CE2 4.42Å; Y143-Y175 HydrophobicContact CE1-CG 4.07Å; Y143-Y175 HydrophobicContact CG-CD2 4.03Å; Y143-Y175 HydrophobicContact CG-CE2 4.41Å; Y143-Y175 PolarHBondContact OH-N 2.95Å; Y143-V429 HydrophobicContact CD2-CG2 4Å; Y143-V429 HydrophobicContact CG-CG2 3.85Å; Y143-W460 PolarHBondContact O-NE1 3.34Å; Y143-H468 AromaticContact CD1-CE1 3.72Å; Y143-H468 AromaticContact CD1-ND1 3.86Å
144	G	94.6	Very high	96.1	Very high	5 Å²	5	10.5 Å²	10.5	5%	0.052	7%	0.066	C	C	.	.			trans	176.7	161.9	178.1	0	0	0	0	0	114.7	S142 G462	S142-G144 PolarHBondContact O-N 2.87Å; G144-G462 CarbonylContact C-O 3.56Å; G144-G462 VanDerWaalsContact CA-O 3.31Å; G144-G462 WeakPolarHBondContact CA-O 3.37Å
145	W	96.7	Very high	96.2	Very high	22 Å²	22	10.7 Å²	10.7	8%	0.083	6%	0.061	C	C	.	.			trans	-81.4	-13.5	-178.6	-93.4	67.9	0	0	0	114.3	R43 I223 Y391 G462 L681 H682	R43-W145 VanDerWaalsContact CZ-O 3.27Å; R43-W145 PolarHBondContact NE-O 3.36Å; R43-W145 PolarHBondContact NH2-O 2.95Å; W145-I223 HydrophobicContact CH2-CD1 3.29Å; W145-I223 HydrophobicContact CZ2-CD1 4.25Å; W145-I223 HydrophobicContact CZ3-CD1 3.62Å; W145-Y391 HydrophobicContact CH2-CE2 4.15Å; W145-Y391 HydrophobicContact CZ2-CE2 4.4Å; W145-G462 PolarHBondContact N-O 3.29Å; W145-L681 HydrophobicContact CD2-CD1 3.93Å; W145-L681 HydrophobicContact CD2-CD2 4.37Å; W145-L681 HydrophobicContact CD2-CG 4.5Å; W145-L681 HydrophobicContact CE3-CD1 3.66Å; W145-L681 HydrophobicContact CE3-CD2 3.73Å; W145-L681 HydrophobicContact CE3-CG 4.21Å; W145-L681 HydrophobicContact CH2-CD1 4.36Å; W145-L681 HydrophobicContact CZ3-CD1 3.89Å; W145-L681 HydrophobicContact CZ3-CD2 4.37Å; W145-H682 AromaticContact CD1-CD2 3.44Å; W145-H682 VanDerWaalsContact CD1-CD2 3.44Å; W145-H682 AromaticContact CD1-NE2 3.28Å; W145-H682 VanDerWaalsContact CD1-NE2 3.28Å; W145-H682 AromaticContact CD2-CD2 3.96Å; W145-H682 AromaticContact CD2-NE2 3.62Å; W145-H682 AromaticContact CE2-CD2 3.95Å; W145-H682 AromaticContact CE2-NE2 3.15Å; W145-H682 AromaticContact CG-CD2 3.61Å; W145-H682 AromaticContact CG-NE2 3.67Å; W145-H682 AromaticContact CZ2-NE2 3.74Å; W145-H682 AromaticContact NE1-CD2 3.65Å; W145-H682 AromaticContact NE1-CE1 3.95Å; W145-H682 AromaticContact NE1-NE2 2.95Å; W145-H682 PolarHBondContact NE1-NE2 3.31Å
146	R	95.3	Very high	96.3	Very high	11 Å²	11	10.7 Å²	10.7	4%	0.042	6%	0.06	C	C	.	.			trans	42.8	-156.1	-178.2	63.2	163.1	175.4	106.7	-6.9	113	R43 G149 G462 Q684	R43-R146 VanDerWaalsContact NH1-NH1 3.16Å; R43-R146 VanDerWaalsContact NH2-NE 3.15Å; R146-G149 PolarHBondContact NH1-O 3.42Å; R146-G462 WeakPolarHBondContact CA-O 3.47Å; R146-G462 PolarHBondContact N-O 2.93Å; R146-Q684 PolarHBondContact O-NE2 3.46Å
147	S	96.7	Very high	96.4	Very high	31 Å²	31	8.7 Å²	8.7	22%	0.217	5%	0.046	C	C	.	.			trans	-108	164.7	166	-67.1	0	0	0	0	111.2	R43	R43-S147 PolarHBondContact NH1-O 3.07Å
148	S	96.5	Very high	96.5	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.014	5%	0.046	C	C	.	.	S	Bend	trans	-61.2	162.5	168.1	-54.9	0	0	0	0	112.5	G42 R43 S226	G42-S148 WeakPolarHBondContact CA-OG 3.43Å; G42-S148 PolarHBondContact O-OG 3.17Å; R43-S148 WeakPolarHBondContact CD-OG 3.37Å; R43-S148 PolarHBondContact N-OG 3.14Å; S148-S226 WeakPolarHBondContact CB-O 3.31Å; S148-S226 PolarHBondContact OG-O 3.42Å
149	G	97.4	Very high	96.4	Very high	2 Å²	2	10.2 Å²	10.2	2%	0.021	5%	0.053	C	C	.	.			trans	128.8	145.7	-176	0	0	0	0	0	112	R146 K153 D513 L514	R146-G149 PolarHBondContact NH1-O 3.42Å; G149-K153 VanDerWaalsContact O-CG 3.28Å; G149-K153 WeakPolarHBondContact O-CG 3.46Å; G149-D513 VanDerWaalsContact CA-OD2 3.24Å; G149-D513 WeakPolarHBondContact CA-OD2 3.47Å; G149-L514 WeakPolarHBondContact CA-O 3.34Å
150	V	98.1	Very high	96.3	Very high	2 Å²	2	10 Å²	10	1%	0.012	5%	0.052	C	C	.	.	S	Bend	trans	-94.5	-27	176.3	-61.7	0	0	0	0	111.6	L404 E406 M407 D513 L514 F573	V150-L404 HydrophobicContact CG1-CB 4.09Å; V150-L404 HydrophobicContact CG1-CD1 4.27Å; V150-E406 HydrophobicContact CB-CB 4.41Å; V150-E406 HydrophobicContact CB-CG 4.22Å; V150-E406 HydrophobicContact CG1-CG 3.99Å; V150-M407 VanDerWaalsContact O-CB 3.28Å; V150-M407 WeakPolarHBondContact O-CB 3.18Å; V150-M407 PolarHBondContact O-N 3.28Å; V150-D513 WeakPolarHBondContact CG2-OD1 3.39Å; V150-D513 PolarHBondContact N-OD1 2.8Å; V150-L514 WeakPolarHBondContact CG1-O 3.41Å; V150-L514 HydrophobicContact CG2-CB 3.86Å; V150-L514 PolarHBondContact N-O 3.29Å; V150-F573 HydrophobicContact CB-CD2 4.43Å; V150-F573 HydrophobicContact CG2-CB 4.43Å; V150-F573 HydrophobicContact CG2-CD2 3.58Å; V150-F573 HydrophobicContact CG2-CE2 4.14Å; V150-F573 HydrophobicContact CG2-CG 4.26Å
151	L	98.5	Very high	96.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-89.6	-58.5	175.1	176	55.5	0	0	0	111.5	K153 M407 D513 F542 E566 W569 L570 F573	L151-K153 PolarHBondContact O-N 2.69Å; L151-M407 HydrophobicContact CD1-CE 3.32Å; L151-D513 PolarHBondContact N-OD1 2.84Å; L151-D513 PolarHBondContact N-OD2 3.04Å; L151-F542 HydrophobicContact CD1-CD2 4.15Å; L151-F542 HydrophobicContact CD1-CE2 4.27Å; L151-E566 HydrophobicContact CD2-CB 4.39Å; L151-E566 HydrophobicContact CD2-CG 3.91Å; L151-W569 HydrophobicContact CD1-CB 3.98Å; L151-W569 HydrophobicContact CD1-CG 4.01Å; L151-W569 HydrophobicContact CD2-CB 4.04Å; L151-L570 HydrophobicContact CB-CD2 3.81Å; L151-L570 HydrophobicContact CD2-CD2 4.04Å; L151-L570 HydrophobicContact CD2-CG 4.38Å; L151-F573 HydrophobicContact CB-CE2 4.03Å; L151-F573 HydrophobicContact CD1-CE2 4.32Å
152	H	98.2	Very high	96.4	Very high	2 Å²	2	10 Å²	10	1%	0.009	5%	0.052	C	C	.	.			trans	-85.2	51.6	-167.6	-65.5	-72.4	0	0	0	113	A154 R511 N512 D513 E566	H152-A154 PolarHBondContact O-N 3.16Å; H152-R511 VanDerWaalsContact CB-CZ 3.47Å; H152-R511 PolarHBondContact O-NH2 2.94Å; H152-N512 PolarHBondContact CD2-O 3.05Å; H152-N512 PolarHBondContact NE2-O 2.87Å; H152-D513 WeakPolarHBondContact CB-OD2 3.44Å; H152-D513 IonicContact CD2-OD2 2.69Å; H152-D513 PolarHBondContact CD2-OD2 3.01Å; H152-D513 IonicContact CG-OD2 2.73Å; H152-D513 PolarHBondContact N-OD2 3.39Å; H152-E566 IonicContact CD2-OE2 3.77Å; H152-E566 IonicContact CE1-OE2 3.24Å; H152-E566 IonicContact NE2-OE2 3.64Å; H152-E566 PolarHBondContact NE2-OE2 3.13Å
153	K	96.5	Very high	96.3	Very high	20 Å²	20	11.2 Å²	11.2	9%	0.087	6%	0.059	C	C	.	.			trans	-84.4	84.7	177.1	-64	179.2	59.3	-173	0	110.2	G149 L151 Q155 T156 L157 E406	G149-K153 VanDerWaalsContact O-CG 3.28Å; G149-K153 WeakPolarHBondContact O-CG 3.46Å; L151-K153 PolarHBondContact O-N 2.69Å; K153-Q155 PolarHBondContact O-N 3.49Å; K153-Q155 VanDerWaalsContact O-N 3.13Å; K153-T156 WeakPolarHBondContact CE-OG1 3.46Å; K153-T156 WeakPolarHBondContact O-CA 3.42Å; K153-T156 WeakPolarHBondContact O-CB 3.4Å; K153-T156 PolarHBondContact O-N 2.91Å; K153-L157 WeakPolarHBondContact O-CG 3.44Å; K153-L157 PolarHBondContact O-N 2.89Å; K153-E406 HydrophobicContact CD-CB 4.06Å; K153-E406 WeakPolarHBondContact CE-OE2 3.39Å; K153-E406 IonicContact NZ-OE2 3.42Å; K153-E406 PolarHBondContact NZ-OE2 3.45Å
154	A	97.3	Very high	96.1	Very high	7 Å²	7	11.1 Å²	11.1	6%	0.058	6%	0.06	C	C	.	.	H	α-helix	trans	-40.2	-54.9	-172.7	0	0	0	0	0	115.1	H152 T156 L157 L158 A461	H152-A154 PolarHBondContact O-N 3.16Å; A154-T156 PolarHBondContact O-N 3.03Å; A154-L157 PolarHBondContact O-N 3.2Å; A154-L158 PolarHBondContact O-N 2.94Å; A154-A461 HydrophobicContact CB-CB 4.3Å
155	Q	95.3	Very high	96	Very high	28 Å²	28	11.6 Å²	11.6	13%	0.131	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-45.5	177.7	-175.3	-170.3	13.5	0	0	112.7	G141 S142 K153 L157 L158 Q159	G141-Q155 PolarHBondContact O-NE2 2.76Å; S142-Q155 VanDerWaalsContact O-CD 3.32Å; S142-Q155 WeakPolarHBondContact O-CG 3.36Å; S142-Q155 PolarHBondContact O-NE2 2.97Å; K153-Q155 PolarHBondContact O-N 3.49Å; K153-Q155 VanDerWaalsContact O-N 3.13Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; Q155-L157 PolarHBondContact O-N 3.37Å; Q155-L158 WeakPolarHBondContact O-CB 3.38Å; Q155-L158 PolarHBondContact O-N 3.1Å; Q155-Q159 WeakPolarHBondContact O-CG 3.33Å; Q155-Q159 PolarHBondContact O-N 2.92Å
156	T	95.8	Very high	95.7	Very high	18 Å²	18	11.4 Å²	11.4	11%	0.11	7%	0.068	C	C	.	.	H	α-helix	trans	-66.6	-36.7	179.8	-55	0	0	0	0	111.8	K153 A154 Q159 R160 M407 A409	K153-T156 WeakPolarHBondContact CE-OG1 3.46Å; K153-T156 WeakPolarHBondContact O-CA 3.42Å; K153-T156 WeakPolarHBondContact O-CB 3.4Å; K153-T156 PolarHBondContact O-N 2.91Å; A154-T156 PolarHBondContact O-N 3.03Å; T156-Q159 PolarHBondContact O-N 3.19Å; T156-R160 WeakPolarHBondContact O-CB 3.45Å; T156-R160 PolarHBondContact O-N 3.23Å; T156-M407 WeakPolarHBondContact CG2-O 3.45Å; T156-A409 HydrophobicContact CG2-CB 4.21Å
157	L	97.8	Very high	95.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.3	-40.5	176.1	-66.7	175.2	0	0	0	111.7	K153 A154 Q155 Q159 R160 Y161 M407 D541 F542 F545 Y560	K153-L157 WeakPolarHBondContact O-CG 3.44Å; K153-L157 PolarHBondContact O-N 2.89Å; A154-L157 PolarHBondContact O-N 3.2Å; Q155-L157 VanDerWaalsContact C-N 3.34Å; Q155-L157 PolarHBondContact O-N 3.37Å; L157-Q159 PolarHBondContact O-N 2.91Å; L157-R160 WeakPolarHBondContact O-CB 3.29Å; L157-R160 PolarHBondContact O-N 3.29Å; L157-Y161 PolarHBondContact O-N 2.99Å; L157-M407 HydrophobicContact CD2-CG 3.74Å; L157-D541 HydrophobicContact CD1-CB 3.94Å; L157-F542 HydrophobicContact CD1-CB 3.99Å; L157-F542 HydrophobicContact CD2-CD2 3.88Å; L157-F545 HydrophobicContact CB-CD2 3.71Å; L157-F545 HydrophobicContact CB-CE2 3.92Å; L157-Y560 WeakPolarHBondContact CB-OH 3.37Å; L157-Y560 WeakPolarHBondContact CD2-OH 3.06Å; L157-Y560 PolarHBondContact O-OH 3.19Å
158	L	97.4	Very high	95.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.6	-48.1	171.1	172.1	61.4	0	0	0	111.2	A140 A154 Q155 R160 Y161 M162 W459 A461 F545	A140-L158 HydrophobicContact CB-CD2 4.2Å; A140-L158 HydrophobicContact CB-CG 4.25Å; A154-L158 PolarHBondContact O-N 2.94Å; Q155-L158 WeakPolarHBondContact O-CB 3.38Å; Q155-L158 PolarHBondContact O-N 3.1Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 3.22Å; L158-Y161 WeakPolarHBondContact O-CB 3.42Å; L158-Y161 PolarHBondContact O-N 2.87Å; L158-M162 HydrophobicContact CD1-CE 3.9Å; L158-M162 HydrophobicContact CD1-CG 4.14Å; L158-M162 VanDerWaalsContact O-CG 3.32Å; L158-M162 WeakPolarHBondContact O-CG 3.34Å; L158-M162 PolarHBondContact O-N 3.48Å; L158-W459 HydrophobicContact CD1-CB 4.03Å; L158-W459 HydrophobicContact CD1-CD2 3.51Å; L158-W459 HydrophobicContact CD1-CE3 3.9Å; L158-W459 HydrophobicContact CD1-CG 3.55Å; L158-W459 HydrophobicContact CD2-CB 4.07Å; L158-W459 HydrophobicContact CD2-CG 3.99Å; L158-W459 WeakPolarHBondContact CD2-O 3.32Å; L158-W459 HydrophobicContact CG-CG 4.44Å; L158-A461 HydrophobicContact CB-CB 4.36Å; L158-A461 HydrophobicContact CD2-CB 4.09Å; L158-F545 HydrophobicContact CB-CE1 4.33Å; L158-F545 HydrophobicContact CB-CE2 3.97Å; L158-F545 HydrophobicContact CB-CZ 3.65Å; L158-F545 HydrophobicContact CD1-CE1 3.78Å; L158-F545 HydrophobicContact CD1-CZ 3.89Å; L158-F545 HydrophobicContact CG-CZ 4.35Å
159	Q	95.3	Very high	95.3	Very high	32 Å²	32	10.3 Å²	10.3	15%	0.15	6%	0.059	C	C	.	.	H	α-helix	trans	-64.5	-36.7	179.2	-68.2	170	-9	0	0	111.9	Q155 T156 L157 M162 N163 Y168 A409	Q155-Q159 WeakPolarHBondContact O-CG 3.33Å; Q155-Q159 PolarHBondContact O-N 2.92Å; T156-Q159 PolarHBondContact O-N 3.19Å; L157-Q159 PolarHBondContact O-N 2.91Å; Q159-M162 PolarHBondContact O-N 2.92Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 VanDerWaalsContact O-CG 3.32Å; Q159-N163 PolarHBondContact O-N 2.73Å; Q159-N163 PolarHBondContact O-ND2 3.35Å; Q159-Y168 HydrophobicContact CB-CE1 4.18Å; Q159-Y168 WeakPolarHBondContact CB-OH 3.4Å; Q159-Y168 HydrophobicContact CG-CE1 4.34Å; Q159-Y168 HydrophobicContact CG-CE2 4.13Å; Q159-Y168 VanDerWaalsContact CG-OH 3.23Å; Q159-Y168 WeakPolarHBondContact CG-OH 3.47Å; Q159-A409 HydrophobicContact CB-CB 3.83Å
160	R	95.3	Very high	95.1	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-45.8	172.6	-171.3	-177.9	179.3	78.5	1.9	111.9	T156 L157 L158 L164 S408 A409 A410 I411 Y560 E562	T156-R160 WeakPolarHBondContact O-CB 3.45Å; T156-R160 PolarHBondContact O-N 3.23Å; L157-R160 WeakPolarHBondContact O-CB 3.29Å; L157-R160 PolarHBondContact O-N 3.29Å; L158-R160 VanDerWaalsContact C-N 3.31Å; L158-R160 PolarHBondContact O-N 3.22Å; R160-L164 PolarHBondContact O-N 3.11Å; R160-S408 PolarHBondContact NH1-O 3.45Å; R160-A409 WeakPolarHBondContact CA-O 3.5Å; R160-A410 PolarHBondContact NH1-O 2.97Å; R160-I411 HydrophobicContact CG-CD1 4.26Å; R160-I411 HydrophobicContact CG-CG1 3.86Å; R160-Y560 HydrophobicContact CB-CE2 3.81Å; R160-Y560 HydrophobicContact CG-CD2 3.93Å; R160-Y560 HydrophobicContact CG-CE2 3.61Å; R160-Y560 PolarHBondContact NE-O 3.11Å; R160-Y560 PolarHBondContact NH2-O 3.36Å; R160-E562 IonicContact CZ-OE1 3.3Å; R160-E562 IonicContact NH1-OE1 3.67Å; R160-E562 IonicContact NH2-OE1 3.44Å; R160-E562 PolarHBondContact NH2-OE1 3.1Å
161	Y	96.4	Very high	94.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.7	-44.3	174.6	162.3	-102.7	0	0	0	111.9	H126 L157 L158 N163 L164 A165 W459 F545 L548 L552	H126-Y161 PolarHBondContact ND1-OH 2.89Å; L157-Y161 PolarHBondContact O-N 2.99Å; L158-Y161 WeakPolarHBondContact O-CB 3.42Å; L158-Y161 PolarHBondContact O-N 2.87Å; Y161-N163 VanDerWaalsContact C-N 3.31Å; Y161-N163 PolarHBondContact O-N 2.88Å; Y161-L164 WeakPolarHBondContact O-CB 3.19Å; Y161-L164 PolarHBondContact O-N 3.45Å; Y161-L164 VanDerWaalsContact O-N 3.09Å; Y161-A165 PolarHBondContact O-N 3.2Å; Y161-W459 HydrophobicContact CD1-CZ3 4.37Å; Y161-W459 HydrophobicContact CE1-CE3 4.33Å; Y161-W459 HydrophobicContact CE1-CH2 4.43Å; Y161-W459 AromaticContact CE1-CZ3 3.71Å; Y161-W459 HydrophobicContact CE1-CZ3 3.71Å; Y161-F545 HydrophobicContact CD1-CD1 4.22Å; Y161-F545 HydrophobicContact CG-CD1 4.15Å; Y161-L548 HydrophobicContact CD2-CB 4.09Å; Y161-L548 HydrophobicContact CE2-CB 3.49Å; Y161-L548 VanDerWaalsContact CE2-CB 3.49Å; Y161-L552 HydrophobicContact CD2-CD1 3.99Å; Y161-L552 HydrophobicContact CE2-CD1 3.42Å; Y161-L552 VanDerWaalsContact CE2-CD1 3.42Å; Y161-L552 HydrophobicContact CE2-CD2 4.44Å; Y161-L552 HydrophobicContact CE2-CG 3.89Å
162	M	94.8	Very high	94.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-32.3	-180	-70.3	-68.5	-177.7	0	0	113.1	I138 A140 L158 Q159 A165 G166 G167 Y168 M457 W459	I138-M162 HydrophobicContact CG2-CE 3.96Å; I138-M162 HydrophobicContact CG2-SD 3.95Å; A140-M162 HydrophobicContact CB-CB 4.48Å; A140-M162 HydrophobicContact CB-CE 4.15Å; A140-M162 HydrophobicContact CB-CG 3.68Å; A140-M162 HydrophobicContact CB-SD 4.41Å; L158-M162 HydrophobicContact CD1-CE 3.9Å; L158-M162 HydrophobicContact CD1-CG 4.14Å; L158-M162 VanDerWaalsContact O-CG 3.32Å; L158-M162 WeakPolarHBondContact O-CG 3.34Å; L158-M162 PolarHBondContact O-N 3.48Å; Q159-M162 PolarHBondContact O-N 2.92Å; M162-A165 PolarHBondContact O-N 3.27Å; M162-G166 PolarHBondContact O-N 3Å; M162-G167 PolarHBondContact O-N 2.61Å; M162-Y168 HydrophobicContact CB-CD1 3.32Å; M162-Y168 HydrophobicContact CB-CE1 3.91Å; M162-Y168 HydrophobicContact CB-CG 3.94Å; M162-Y168 HydrophobicContact CG-CD1 4.3Å; M162-M457 HydrophobicContact CE-CE 3.92Å; M162-W459 HydrophobicContact CE-CB 4.1Å; M162-W459 HydrophobicContact CE-CD2 4.22Å; M162-W459 HydrophobicContact CE-CE3 3.46Å; M162-W459 VanDerWaalsContact CE-CE3 3.46Å; M162-W459 HydrophobicContact CE-CZ3 4.27Å
163	N	92.1	Very high	94.4	Very high	25 Å²	25	16 Å²	16	13%	0.134	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-42.5	170.6	-77.2	-22.5	0	0	0	111.6	Q159 Y161 A165 G166 A409 M424	Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 VanDerWaalsContact O-CG 3.32Å; Q159-N163 PolarHBondContact O-N 2.73Å; Q159-N163 PolarHBondContact O-ND2 3.35Å; Y161-N163 VanDerWaalsContact C-N 3.31Å; Y161-N163 PolarHBondContact O-N 2.88Å; N163-A165 VanDerWaalsContact C-N 3.26Å; N163-A165 PolarHBondContact O-N 2.67Å; N163-G166 PolarHBondContact O-N 3.01Å; N163-A409 PolarHBondContact ND2-O 3.3Å; N163-M424 WeakPolarHBondContact OD1-CE 3.5Å
164	L	92.8	Very high	94.4	Very high	26 Å²	26	15.9 Å²	15.9	14%	0.136	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-29.5	174.4	-175.1	62.2	0	0	0	112.4	R160 Y161 G166 I411 A549 L552 I559	R160-L164 PolarHBondContact O-N 3.11Å; Y161-L164 WeakPolarHBondContact O-CB 3.19Å; Y161-L164 PolarHBondContact O-N 3.45Å; Y161-L164 VanDerWaalsContact O-N 3.09Å; L164-G166 VanDerWaalsContact C-N 3.29Å; L164-G166 PolarHBondContact O-N 3.35Å; L164-I411 HydrophobicContact CB-CD1 4Å; L164-I411 HydrophobicContact CD1-CD1 4.34Å; L164-I411 HydrophobicContact CD2-CD1 4.46Å; L164-A549 HydrophobicContact CD2-CB 3.66Å; L164-L552 HydrophobicContact CG-CD1 4.32Å; L164-I559 HydrophobicContact CD1-CG2 4Å
165	A	93	Very high	94.4	Very high	15 Å²	15	16.2 Å²	16.2	12%	0.124	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.5	177.6	0	0	0	0	0	114.5	H126 R130 Y161 M162 N163 L552	H126-A165 VanDerWaalsContact CE1-CB 3.49Å; H126-A165 WeakPolarHBondContact CE1-CB 3.23Å; R130-A165 VanDerWaalsContact CD-O 3.25Å; R130-A165 WeakPolarHBondContact CD-O 3.23Å; R130-A165 PolarHBondContact NE-O 3.34Å; R130-A165 PolarHBondContact NH1-O 3.24Å; Y161-A165 PolarHBondContact O-N 3.2Å; M162-A165 PolarHBondContact O-N 3.27Å; N163-A165 VanDerWaalsContact C-N 3.26Å; N163-A165 PolarHBondContact O-N 2.67Å; A165-L552 HydrophobicContact CB-CD1 3.73Å; A165-L552 HydrophobicContact CB-CD2 4.13Å
166	G	89.6	Confident	94.5	Very high	18 Å²	18	15.6 Å²	15.6	19%	0.186	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	26.5	177.3	0	0	0	0	0	115.5	R130 P135 M162 N163 L164	R130-G166 PolarHBondContact NH1-O 2.92Å; P135-G166 WeakPolarHBondContact CB-O 3.5Å; M162-G166 PolarHBondContact O-N 3Å; N163-G166 PolarHBondContact O-N 3.01Å; L164-G166 VanDerWaalsContact C-N 3.29Å; L164-G166 PolarHBondContact O-N 3.35Å
167	G	90.9	Very high	94.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.			trans	96.4	171.3	170.1	0	0	0	0	0	115.4	R130 M162	R130-G167 VanDerWaalsContact CZ-O 3.27Å; R130-G167 PolarHBondContact NH1-O 3.36Å; R130-G167 PolarHBondContact NH2-O 3.42Å; M162-G167 PolarHBondContact O-N 2.61Å
168	Y	94.1	Very high	94.6	Very high	19 Å²	19	15 Å²	15	8%	0.075	10%	0.098	C	C	.	.			trans	-162.5	161.4	-173.5	62.2	-84.1	0	0	0	111.9	P135 I138 A140 Q159 M162 M424	P135-Y168 WeakPolarHBondContact O-CA 3.19Å; I138-Y168 CarbonylContact O-C 3.48Å; I138-Y168 WeakPolarHBondContact O-CA 3.01Å; I138-Y168 WeakPolarHBondContact O-CB 3.44Å; A140-Y168 HydrophobicContact CB-CD2 3.7Å; A140-Y168 HydrophobicContact CB-CE2 4.35Å; A140-Y168 HydrophobicContact CB-CG 3.91Å; Q159-Y168 HydrophobicContact CB-CE1 4.18Å; Q159-Y168 WeakPolarHBondContact CB-OH 3.4Å; Q159-Y168 HydrophobicContact CG-CE1 4.34Å; Q159-Y168 HydrophobicContact CG-CE2 4.13Å; Q159-Y168 VanDerWaalsContact CG-OH 3.23Å; Q159-Y168 WeakPolarHBondContact CG-OH 3.47Å; M162-Y168 HydrophobicContact CB-CD1 3.32Å; M162-Y168 HydrophobicContact CB-CE1 3.91Å; M162-Y168 HydrophobicContact CB-CG 3.94Å; M162-Y168 HydrophobicContact CG-CD1 4.3Å; Y168-M424 HydrophobicContact CD1-CE 3.68Å; Y168-M424 HydrophobicContact CE1-CE 3.26Å; Y168-M424 HydrophobicContact CG-CE 4.5Å
169	S	94.4	Very high	94.7	Very high	1 Å²	1	15 Å²	15	1%	0.007	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-76.7	123.6	162.9	-78.5	0	0	0	0	111.9	S136 I138 F139 A140 G141 T425	S136-S169 VanDerWaalsContact C-OG 3.31Å; S136-S169 VanDerWaalsContact CA-OG 3.29Å; S136-S169 WeakPolarHBondContact CA-OG 3.39Å; S136-S169 PolarHBondContact O-OG 2.97Å; I138-S169 PolarHBondContact O-N 3.13Å; F139-S169 WeakPolarHBondContact CA-O 3.2Å; F139-S169 WeakPolarHBondContact CD2-O 3.44Å; A140-S169 PolarHBondContact N-O 2.89Å; G141-S169 PolarHBondContact N-O 3.4Å; S169-T425 CarbonylContact C-O 3.59Å; S169-T425 VanDerWaalsContact CA-O 3.24Å; S169-T425 WeakPolarHBondContact CA-O 3.43Å; S169-T425 PolarHBondContact OG-OG1 3.08Å
170	G	93.6	Very high	94.8	Very high	11 Å²	11	13.4 Å²	13.4	11%	0.113	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-160.7	177.8	0	0	0	0	0	113.2	F139 T425 I427	F139-G170 WeakPolarHBondContact CE2-O 3.31Å; G170-T425 PolarHBondContact N-O 2.69Å; G170-I427 PolarHBondContact O-N 3.37Å
171	H	93.7	Very high	94.9	Very high	41 Å²	41	15.3 Å²	15.3	19%	0.19	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.9	168	66.8	76.2	0	0	0	111.8	G141 Y143 G173 I427 V429	G141-H171 VanDerWaalsContact C-CD2 3.48Å; G141-H171 PolarHBondContact O-NE2 2.98Å; Y143-H171 AromaticContact CD2-CE1 3.76Å; H171-G173 PolarHBondContact ND1-O 3.38Å; H171-I427 CarbonylContact C-O 3.48Å; H171-I427 WeakPolarHBondContact CA-O 3.49Å; H171-I427 WeakPolarHBondContact CB-O 3.38Å; H171-V429 HydrophobicContact CB-CB 4.01Å; H171-V429 HydrophobicContact CB-CG2 4.09Å
172	S	93.5	Very high	95	Very high	41 Å²	41	16.2 Å²	16.2	29%	0.287	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	153.6	168.1	63.4	0	0	0	0	111.2	I427 V429	S172-I427 PolarHBondContact N-O 3.3Å; S172-V429 WeakPolarHBondContact O-CB 3.49Å; S172-V429 PolarHBondContact O-N 3.29Å
173	G	92.6	Very high	95.2	Very high	33 Å²	33	16.2 Å²	16.2	34%	0.34	11%	0.105	S	C	.	.	S	Bend	trans	65.3	-167.5	-178.7	0	0	0	0	0	114.1	H171	H171-G173 PolarHBondContact ND1-O 3.38Å
174	D	96.2	Very high	95.5	Very high	18 Å²	18	15 Å²	15	10%	0.096	10%	0.099	C	C	.	.			trans	-144.9	167.4	-178.5	60.8	65.2	0	0	0	111.6	Y143 S176 T177 G178 Q181 Y194	Y143-D174 HydrophobicContact CD2-CB 4.46Å; Y143-D174 HydrophobicContact CE2-CB 3.46Å; Y143-D174 VanDerWaalsContact CE2-CB 3.46Å; D174-S176 PolarHBondContact O-N 3.31Å; D174-S176 VanDerWaalsContact OD1-CA 3.32Å; D174-S176 WeakPolarHBondContact OD1-CA 3.44Å; D174-S176 VanDerWaalsContact OD1-CB 3.29Å; D174-S176 WeakPolarHBondContact OD1-CB 3.38Å; D174-S176 PolarHBondContact OD1-N 3.27Å; D174-T177 PolarHBondContact OD1-N 3.11Å; D174-T177 PolarHBondContact OD1-OG1 3.43Å; D174-T177 PolarHBondContact OD2-OG1 2.82Å; D174-G178 WeakPolarHBondContact O-CA 3.38Å; D174-G178 PolarHBondContact O-N 2.85Å; D174-Q181 PolarHBondContact OD1-NE2 3.48Å; D174-Q181 PolarHBondContact OD2-NE2 3.18Å; D174-Y194 PolarHBondContact OD1-OH 3.24Å; D174-Y194 VanDerWaalsContact OD1-OH 3.08Å; D174-Y194 WeakPolarHBondContact OD2-CE2 3.23Å; D174-Y194 PolarHBondContact OD2-OH 3.28Å
175	Y	97.8	Very high	95.8	Very high	13 Å²	13	16 Å²	16	5%	0.051	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.5	177.2	-82.2	-92.8	0	0	0	113.5	Y143 R357 V429 A430 H468 H469 C780	Y143-Y175 AromaticContact CD1-CD2 3.43Å; Y143-Y175 HydrophobicContact CD1-CD2 3.43Å; Y143-Y175 VanDerWaalsContact CD1-CD2 3.43Å; Y143-Y175 AromaticContact CD1-CE2 3.98Å; Y143-Y175 HydrophobicContact CD1-CE2 3.98Å; Y143-Y175 HydrophobicContact CD1-CG 4.43Å; Y143-Y175 AromaticContact CE1-CD2 3.46Å; Y143-Y175 HydrophobicContact CE1-CD2 3.46Å; Y143-Y175 VanDerWaalsContact CE1-CD2 3.46Å; Y143-Y175 HydrophobicContact CE1-CE2 4.42Å; Y143-Y175 HydrophobicContact CE1-CG 4.07Å; Y143-Y175 HydrophobicContact CG-CD2 4.03Å; Y143-Y175 HydrophobicContact CG-CE2 4.41Å; Y143-Y175 PolarHBondContact OH-N 2.95Å; Y175-R357 WeakPolarHBondContact O-CD 3.34Å; Y175-V429 HydrophobicContact CD2-CG1 3.91Å; Y175-V429 HydrophobicContact CD2-CG2 3.92Å; Y175-V429 HydrophobicContact CE2-CB 4.36Å; Y175-V429 HydrophobicContact CE2-CG1 4.01Å; Y175-V429 HydrophobicContact CE2-CG2 3.62Å; Y175-V429 PolarHBondContact OH-O 2.8Å; Y175-A430 HydrophobicContact CE1-CB 4.09Å; Y175-A430 WeakPolarHBondContact OH-CA 3.49Å; Y175-H468 AromaticContact CE2-CD2 3.6Å; Y175-H468 AromaticContact CE2-NE2 3.58Å; Y175-H468 AromaticContact CZ-CD2 3.61Å; Y175-H468 AromaticContact CZ-NE2 3.91Å; Y175-H469 AromaticContact CZ-ND1 3.88Å; Y175-H469 PolarHBondContact OH-CE1 3.45Å; Y175-H469 PolarHBondContact OH-ND1 3.2Å; Y175-C780 HydrophobicContact CD1-CB 3.66Å; Y175-C780 HydrophobicContact CE1-CB 3.9Å; Y175-C780 PolarHBondContact O-SG 2.86Å; Y175-C780 VanDerWaalsContact O-SG 3.39Å
176	S	97.8	Very high	96.1	Very high	15 Å²	15	16.4 Å²	16.4	11%	0.105	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-44.9	-172.5	-70.7	0	0	0	0	111.9	D174 W353 Q356	D174-S176 PolarHBondContact O-N 3.31Å; D174-S176 VanDerWaalsContact OD1-CA 3.32Å; D174-S176 WeakPolarHBondContact OD1-CA 3.44Å; D174-S176 VanDerWaalsContact OD1-CB 3.29Å; D174-S176 WeakPolarHBondContact OD1-CB 3.38Å; D174-S176 PolarHBondContact OD1-N 3.27Å; S176-W353 WeakPolarHBondContact O-CB 3.31Å; S176-Q356 PolarHBondContact O-NE2 3.09Å
177	T	98.2	Very high	96.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	15.8	-171.2	63.4	0	0	0	0	112.6	D174 A179 A180 Q181 V193 Y194 W353 Q356	D174-T177 PolarHBondContact OD1-N 3.11Å; D174-T177 PolarHBondContact OD1-OG1 3.43Å; D174-T177 PolarHBondContact OD2-OG1 2.82Å; T177-A179 CarbonylContact O-C 3.5Å; T177-A179 PolarHBondContact O-N 2.74Å; T177-A180 PolarHBondContact O-N 3.18Å; T177-Q181 WeakPolarHBondContact O-CG 3.4Å; T177-Q181 PolarHBondContact O-N 2.94Å; T177-Q181 PolarHBondContact OG1-NE2 3.16Å; T177-V193 HydrophobicContact CG2-CB 3.76Å; T177-V193 HydrophobicContact CG2-CG1 4.11Å; T177-V193 HydrophobicContact CG2-CG2 3.71Å; T177-Y194 HydrophobicContact CG2-CE1 4.03Å; T177-Y194 PolarHBondContact OG1-OH 3.38Å; T177-W353 HydrophobicContact CG2-CB 4.5Å; T177-W353 HydrophobicContact CG2-CD2 3.36Å; T177-W353 HydrophobicContact CG2-CE3 3.6Å; T177-W353 HydrophobicContact CG2-CG 3.77Å; T177-W353 HydrophobicContact CG2-CH2 4.11Å; T177-W353 HydrophobicContact CG2-CZ2 3.97Å; T177-W353 HydrophobicContact CG2-CZ3 3.95Å; T177-Q356 VanDerWaalsContact C-OE1 3.28Å; T177-Q356 PolarHBondContact O-OE1 3.43Å
178	G	97.3	Very high	96.9	Very high	5 Å²	5	15.6 Å²	15.6	5%	0.052	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-35	-169.5	0	0	0	0	0	116.2	D174 V182	D174-G178 WeakPolarHBondContact O-CA 3.38Å; D174-G178 PolarHBondContact O-N 2.85Å; G178-V182 VanDerWaalsContact O-CG2 3.32Å; G178-V182 WeakPolarHBondContact O-CG2 3.25Å
179	A	98.6	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-51.2	174.9	0	0	0	0	0	111.2	T177 Q181 V182 I183 Q356 E362 A777 A779	T177-A179 CarbonylContact O-C 3.5Å; T177-A179 PolarHBondContact O-N 2.74Å; A179-Q181 PolarHBondContact O-N 3.24Å; A179-V182 PolarHBondContact O-N 3.34Å; A179-V182 VanDerWaalsContact O-N 3.09Å; A179-I183 WeakPolarHBondContact O-CG2 3.46Å; A179-I183 PolarHBondContact O-N 3.46Å; A179-Q356 HydrophobicContact CB-CB 4.47Å; A179-Q356 VanDerWaalsContact CB-OE1 3.23Å; A179-E362 HydrophobicContact CB-CG 3.95Å; A179-A777 HydrophobicContact CB-CB 4.33Å; A179-A779 HydrophobicContact CB-CB 3.92Å
180	A	98.6	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.7	-44.9	-179.2	0	0	0	0	0	113	T177 V182 I183 M184 V193 Q356	T177-A180 PolarHBondContact O-N 3.18Å; A180-V182 PolarHBondContact O-N 3.2Å; A180-I183 WeakPolarHBondContact O-CG2 3.37Å; A180-I183 PolarHBondContact O-N 3.05Å; A180-M184 WeakPolarHBondContact O-CB 3.37Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 2.86Å; A180-V193 HydrophobicContact CB-CG1 3.75Å; A180-Q356 HydrophobicContact CB-CG 4.02Å; A180-Q356 VanDerWaalsContact N-OE1 3.17Å
181	Q	98	Very high	97.4	Very high	40 Å²	40	19.5 Å²	19.5	19%	0.187	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-19.8	-179.1	75.6	-179.5	-86.7	0	0	113.5	D174 T177 A179 P185 V193	D174-Q181 PolarHBondContact OD1-NE2 3.48Å; D174-Q181 PolarHBondContact OD2-NE2 3.18Å; T177-Q181 WeakPolarHBondContact O-CG 3.4Å; T177-Q181 PolarHBondContact O-N 2.94Å; T177-Q181 PolarHBondContact OG1-NE2 3.16Å; A179-Q181 PolarHBondContact O-N 3.24Å; Q181-P185 WeakPolarHBondContact O-CD 3.43Å; Q181-P185 WeakPolarHBondContact O-CG 3.4Å; Q181-V193 HydrophobicContact CB-CG2 4.23Å
182	V	98.4	Very high	97.6	Very high	20 Å²	20	17.5 Å²	17.5	12%	0.121	12%	0.117	C	C	.	.	H	α-helix	trans	-91	-39.7	177.2	177.6	0	0	0	0	111.2	G178 A179 A180 H186 N446 L776 A777	G178-V182 VanDerWaalsContact O-CG2 3.32Å; G178-V182 WeakPolarHBondContact O-CG2 3.25Å; A179-V182 PolarHBondContact O-N 3.34Å; A179-V182 VanDerWaalsContact O-N 3.09Å; A180-V182 PolarHBondContact O-N 3.2Å; V182-H186 PolarHBondContact O-CD2 3.25Å; V182-H186 VanDerWaalsContact O-CD2 3.24Å; V182-N446 HydrophobicContact CG1-CB 4.27Å; V182-L776 HydrophobicContact CG1-CD2 4.42Å; V182-L776 HydrophobicContact CG1-CG 4.03Å; V182-A777 HydrophobicContact CB-CB 3.76Å; V182-A777 HydrophobicContact CG1-CB 4.06Å; V182-A777 HydrophobicContact CG2-CB 3.86Å
183	I	98.7	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-77.4	-38.2	-179.2	-173.1	60.3	0	0	0	112.8	A179 A180 H186 V187 E362 W366 L641 L776	A179-I183 WeakPolarHBondContact O-CG2 3.46Å; A179-I183 PolarHBondContact O-N 3.46Å; A180-I183 WeakPolarHBondContact O-CG2 3.37Å; A180-I183 PolarHBondContact O-N 3.05Å; I183-H186 WeakPolarHBondContact O-CA 3.29Å; I183-H186 WeakPolarHBondContact O-CB 3.46Å; I183-H186 PolarHBondContact O-N 2.74Å; I183-V187 HydrophobicContact CD1-CG2 4.2Å; I183-V187 HydrophobicContact CG1-CG2 3.95Å; I183-V187 WeakPolarHBondContact O-CG2 3.32Å; I183-V187 PolarHBondContact O-N 2.92Å; I183-E362 HydrophobicContact CB-CB 3.95Å; I183-E362 HydrophobicContact CB-CG 4.29Å; I183-E362 HydrophobicContact CG1-CB 4.18Å; I183-E362 HydrophobicContact CG2-CB 4.15Å; I183-W366 HydrophobicContact CD1-CD2 4.19Å; I183-W366 HydrophobicContact CD1-CE3 3.76Å; I183-W366 HydrophobicContact CD1-CZ3 3.98Å; I183-W366 HydrophobicContact CG1-CB 4.16Å; I183-W366 HydrophobicContact CG1-CD2 4.27Å; I183-W366 HydrophobicContact CG1-CE3 4.09Å; I183-W366 HydrophobicContact CG1-CG 4.37Å; I183-L641 HydrophobicContact CD1-CD1 3.61Å; I183-L776 HydrophobicContact CB-CD2 4.43Å; I183-L776 HydrophobicContact CD1-CD2 3.8Å
184	M	98.8	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-36.8	-175	-69.8	-62.6	98.4	0	0	114.4	A180 H186 V187 V188 G189 S190 E192 H365 W366 V369 F387	A180-M184 WeakPolarHBondContact O-CB 3.37Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 2.86Å; M184-H186 PolarHBondContact O-N 2.67Å; M184-V187 HydrophobicContact CE-CB 4.17Å; M184-V187 HydrophobicContact CE-CG1 4.49Å; M184-V187 HydrophobicContact CE-CG2 4.07Å; M184-V187 PolarHBondContact O-N 3.17Å; M184-V188 HydrophobicContact CB-CG2 4.2Å; M184-V188 WeakPolarHBondContact O-CG2 3.4Å; M184-V188 PolarHBondContact O-N 3.38Å; M184-V188 HydrophobicContact SD-CG2 4.37Å; M184-G189 PolarHBondContact O-N 2.57Å; M184-S190 CarbonylContact C-O 3.55Å; M184-S190 VanDerWaalsContact CB-O 3.25Å; M184-S190 WeakPolarHBondContact CB-O 3.42Å; M184-E192 HydrophobicContact CB-CB 4.23Å; M184-E192 HydrophobicContact CG-CB 4.22Å; M184-H365 HydrophobicContact CE-CB 3.93Å; M184-H365 HydrophobicContact SD-CB 4.37Å; M184-W366 HydrophobicContact CE-CB 4.28Å; M184-V369 HydrophobicContact CE-CG2 4.44Å; M184-V369 HydrophobicContact SD-CG2 4.04Å; M184-F387 HydrophobicContact SD-CD2 4.41Å; M184-F387 HydrophobicContact SD-CE2 3.72Å
185	P	98.7	Very high	98.1	Very high	45 Å²	45	19.1 Å²	19.1	29%	0.292	11%	0.108	S	C	.	.	H	α-helix	trans	-57.8	-30.8	171.4	-29.3	36.8	0	0	0	114.3	Q181 G189 S190 V191	Q181-P185 WeakPolarHBondContact O-CD 3.43Å; Q181-P185 WeakPolarHBondContact O-CG 3.4Å; P185-G189 VanDerWaalsContact O-CA 3.27Å; P185-G189 WeakPolarHBondContact O-CA 3.32Å; P185-G189 PolarHBondContact O-N 3.27Å; P185-S190 WeakPolarHBondContact CD-O 3.17Å; P185-V191 HydrophobicContact CG-CG1 4.26Å
186	H	98.7	Very high	98.1	Very high	24 Å²	24	20 Å²	20	11%	0.111	11%	0.112	C	C	.	.	H	α-helix	trans	-79.2	-20.5	175.5	-62.5	-74.7	0	0	0	113.1	V182 I183 M184 N446 E635 L641	V182-H186 PolarHBondContact O-CD2 3.25Å; V182-H186 VanDerWaalsContact O-CD2 3.24Å; I183-H186 WeakPolarHBondContact O-CA 3.29Å; I183-H186 WeakPolarHBondContact O-CB 3.46Å; I183-H186 PolarHBondContact O-N 2.74Å; M184-H186 PolarHBondContact O-N 2.67Å; H186-N446 PolarHBondContact NE2-OD1 3.06Å; H186-E635 WeakPolarHBondContact O-CB 3.45Å; H186-L641 HydrophobicContact CB-CD1 4.35Å; H186-L641 HydrophobicContact CB-CG 4.48Å
187	V	98.8	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-102.1	-47.7	-173.1	-178.5	0	0	0	0	112.3	I183 M184 W366 V369 I634 E635	I183-V187 HydrophobicContact CD1-CG2 4.2Å; I183-V187 HydrophobicContact CG1-CG2 3.95Å; I183-V187 WeakPolarHBondContact O-CG2 3.32Å; I183-V187 PolarHBondContact O-N 2.92Å; M184-V187 HydrophobicContact CE-CB 4.17Å; M184-V187 HydrophobicContact CE-CG1 4.49Å; M184-V187 HydrophobicContact CE-CG2 4.07Å; M184-V187 PolarHBondContact O-N 3.17Å; V187-W366 HydrophobicContact CG1-CG 4.49Å; V187-W366 HydrophobicContact CG2-CB 4.31Å; V187-W366 HydrophobicContact CG2-CD2 3.95Å; V187-W366 HydrophobicContact CG2-CG 3.63Å; V187-V369 HydrophobicContact CG1-CB 4.25Å; V187-V369 HydrophobicContact CG1-CG1 3.91Å; V187-I634 HydrophobicContact CG1-CG2 4.31Å; V187-I634 CarbonylContact O-C 3.56Å; V187-I634 VanDerWaalsContact O-CA 3.31Å; V187-I634 WeakPolarHBondContact O-CA 3.48Å; V187-E635 PolarHBondContact O-N 2.83Å
188	V	98.7	Very high	98.2	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-0.1	-175.9	-62	0	0	0	0	113.2	M184 S190 E192 V369 F385 Y615	M184-V188 HydrophobicContact CB-CG2 4.2Å; M184-V188 WeakPolarHBondContact O-CG2 3.4Å; M184-V188 PolarHBondContact O-N 3.38Å; M184-V188 HydrophobicContact SD-CG2 4.37Å; V188-S190 VanDerWaalsContact C-N 3.31Å; V188-S190 PolarHBondContact O-N 2.83Å; V188-E192 HydrophobicContact CG2-CB 4.37Å; V188-V369 HydrophobicContact CG1-CG1 3.89Å; V188-V369 HydrophobicContact CG1-CG2 4.45Å; V188-F385 HydrophobicContact CG1-CZ 4.31Å; V188-Y615 HydrophobicContact CB-CE1 4.45Å; V188-Y615 WeakPolarHBondContact CB-OH 3.09Å; V188-Y615 WeakPolarHBondContact CG2-OH 3.39Å
189	G	98.3	Very high	98.3	Very high	22 Å²	22	19.2 Å²	19.2	23%	0.227	11%	0.106	C	C	.	.	S	Bend	trans	80.3	11.1	172.9	0	0	0	0	0	114.4	M184 P185 G628	M184-G189 PolarHBondContact O-N 2.57Å; P185-G189 VanDerWaalsContact O-CA 3.27Å; P185-G189 WeakPolarHBondContact O-CA 3.32Å; P185-G189 PolarHBondContact O-N 3.27Å; G189-G628 VanDerWaalsContact CA-C 3.46Å
190	S	97.2	Very high	98.2	Very high	28 Å²	28	19.2 Å²	19.2	20%	0.196	11%	0.106	C	C	.	.	S	Bend	trans	-149.4	168.5	177	86	0	0	0	0	110.9	M184 P185 V188 E192 E195 R614	M184-S190 CarbonylContact C-O 3.55Å; M184-S190 VanDerWaalsContact CB-O 3.25Å; M184-S190 WeakPolarHBondContact CB-O 3.42Å; P185-S190 WeakPolarHBondContact CD-O 3.17Å; V188-S190 VanDerWaalsContact C-N 3.31Å; V188-S190 PolarHBondContact O-N 2.83Å; S190-E192 VanDerWaalsContact C-N 3.29Å; S190-E192 PolarHBondContact O-N 3.48Å; S190-E192 PolarHBondContact OG-N 3Å; S190-E195 WeakPolarHBondContact CB-OE1 3.5Å; S190-E195 PolarHBondContact OG-OE1 3.32Å; S190-R614 PolarHBondContact OG-NH2 3.41Å
191	V	96.8	Very high	98.2	Very high	62 Å²	62	21.4 Å²	21.4	38%	0.376	12%	0.12	S	C	.	.			trans	-72.2	-25.9	-179.7	-62.2	0	0	0	0	112.5	P185 V193 E195	P185-V191 HydrophobicContact CG-CG1 4.26Å; V191-V193 PolarHBondContact O-N 2.94Å; V191-E195 PolarHBondContact N-OE1 2.95Å
192	E	98.3	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.			trans	63.8	-48.9	176.1	-175.7	61	-140.3	0	0	115.9	M184 V188 S190 Y194 E195 Q197 F385 F387 R614 Y615	M184-E192 HydrophobicContact CB-CB 4.23Å; M184-E192 HydrophobicContact CG-CB 4.22Å; V188-E192 HydrophobicContact CG2-CB 4.37Å; S190-E192 VanDerWaalsContact C-N 3.29Å; S190-E192 PolarHBondContact O-N 3.48Å; S190-E192 PolarHBondContact OG-N 3Å; E192-Y194 PolarHBondContact O-N 3.4Å; E192-Y194 VanDerWaalsContact O-N 3.1Å; E192-E195 WeakPolarHBondContact CA-OE1 3.42Å; E192-E195 PolarHBondContact N-OE1 3.4Å; E192-E195 PolarHBondContact O-N 3.25Å; E192-E195 VanDerWaalsContact O-N 3.07Å; E192-Q197 PolarHBondContact OE1-NE2 2.83Å; E192-F385 HydrophobicContact CG-CE2 3.89Å; E192-F387 HydrophobicContact CB-CD2 4.37Å; E192-F387 HydrophobicContact CG-CD2 3.54Å; E192-F387 HydrophobicContact CG-CE2 4.09Å; E192-F387 HydrophobicContact CG-CG 4.39Å; E192-R614 IonicContact OE1-NE 3.61Å; E192-R614 IonicContact OE2-CZ 3.39Å; E192-R614 IonicContact OE2-NE 3.17Å; E192-R614 PolarHBondContact OE2-NE 3.01Å; E192-R614 IonicContact OE2-NH2 2.74Å; E192-R614 PolarHBondContact OE2-NH2 2.98Å; E192-Y615 PolarHBondContact OE2-OH 2.94Å
193	V	97.9	Very high	98.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.2	-171.1	-63.4	0	0	0	0	114.6	T177 A180 Q181 V191 W353 F387 S388	T177-V193 HydrophobicContact CG2-CB 3.76Å; T177-V193 HydrophobicContact CG2-CG1 4.11Å; T177-V193 HydrophobicContact CG2-CG2 3.71Å; A180-V193 HydrophobicContact CB-CG1 3.75Å; Q181-V193 HydrophobicContact CB-CG2 4.23Å; V191-V193 PolarHBondContact O-N 2.94Å; V193-W353 HydrophobicContact CB-CZ2 4.27Å; V193-W353 VanDerWaalsContact O-CZ2 3.24Å; V193-W353 WeakPolarHBondContact O-CZ2 3.4Å; V193-F387 HydrophobicContact CG1-CB 4.28Å; V193-S388 WeakPolarHBondContact O-CB 3.38Å
194	Y	97.6	Very high	98.2	Very high	78 Å²	78	20.3 Å²	20.3	31%	0.306	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	22.2	178	-56.5	-46.9	0	0	0	113.1	D174 T177 E192 W353 Y391 Y520	D174-Y194 PolarHBondContact OD1-OH 3.24Å; D174-Y194 VanDerWaalsContact OD1-OH 3.08Å; D174-Y194 WeakPolarHBondContact OD2-CE2 3.23Å; D174-Y194 PolarHBondContact OD2-OH 3.28Å; T177-Y194 HydrophobicContact CG2-CE1 4.03Å; T177-Y194 PolarHBondContact OG1-OH 3.38Å; E192-Y194 PolarHBondContact O-N 3.4Å; E192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-W353 AromaticContact CD1-CH2 3.85Å; Y194-W353 HydrophobicContact CD1-CH2 3.85Å; Y194-W353 HydrophobicContact CD1-CZ2 4.26Å; Y194-W353 AromaticContact CE1-CH2 3.41Å; Y194-W353 HydrophobicContact CE1-CH2 3.41Å; Y194-W353 VanDerWaalsContact CE1-CH2 3.41Å; Y194-W353 HydrophobicContact CE1-CZ2 4.07Å; Y194-W353 AromaticContact CE1-CZ3 3.92Å; Y194-W353 HydrophobicContact CE1-CZ3 3.92Å; Y194-Y391 HydrophobicContact CD1-CD1 4.46Å; Y194-Y391 AromaticContact CD1-CE1 3.99Å; Y194-Y391 HydrophobicContact CD1-CE1 3.99Å; Y194-Y391 HydrophobicContact CE1-CE1 4.26Å; Y194-Y520 WeakPolarHBondContact CA-OH 3.39Å; Y194-Y520 WeakPolarHBondContact O-CE1 3.29Å
195	E	97.8	Very high	98.2	Very high	48 Å²	48	26.5 Å²	26.5	22%	0.224	14%	0.143	C	C	.	.	S	Bend	trans	-102.7	154.9	-179	-66.5	-178.8	-125.1	0	0	111.9	S190 V191 E192 Q197 Y520 R614	S190-E195 WeakPolarHBondContact CB-OE1 3.5Å; S190-E195 PolarHBondContact OG-OE1 3.32Å; V191-E195 PolarHBondContact N-OE1 2.95Å; E192-E195 WeakPolarHBondContact CA-OE1 3.42Å; E192-E195 PolarHBondContact N-OE1 3.4Å; E192-E195 PolarHBondContact O-N 3.25Å; E192-E195 VanDerWaalsContact O-N 3.07Å; E195-Q197 PolarHBondContact O-N 3.07Å; E195-Q197 PolarHBondContact O-NE2 2.77Å; E195-Y520 WeakPolarHBondContact O-CE1 3.23Å; E195-R614 VanDerWaalsContact CD-NH2 3.26Å; E195-R614 IonicContact OE1-NH2 3.55Å; E195-R614 IonicContact OE2-CZ 3.07Å; E195-R614 IonicContact OE2-NH1 2.92Å; E195-R614 PolarHBondContact OE2-NH1 3.48Å; E195-R614 IonicContact OE2-NH2 2.67Å; E195-R614 PolarHBondContact OE2-NH2 3.32Å
196	Q	97.8	Very high	98.2	Very high	30 Å²	30	26.7 Å²	26.7	14%	0.14	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-61.4	135.8	175.3	179.1	62.5	-76	0	0	110.2	G395 N396 T398 Y520 Y612 R614	Q196-G395 VanDerWaalsContact OE1-CA 3.3Å; Q196-N396 PolarHBondContact NE2-O 3Å; Q196-T398 PolarHBondContact NE2-OG1 2.95Å; Q196-T398 VanDerWaalsContact NE2-OG1 3.14Å; Q196-Y520 HydrophobicContact CB-CD1 4.41Å; Q196-Y612 HydrophobicContact CB-CE1 4.15Å; Q196-Y612 HydrophobicContact CG-CD1 3.88Å; Q196-Y612 HydrophobicContact CG-CE1 3.74Å; Q196-Y612 WeakPolarHBondContact O-CE1 3.38Å; Q196-Y612 PolarHBondContact O-OH 3.44Å; Q196-R614 WeakPolarHBondContact O-CD 3.24Å
197	Q	98.5	Very high	98.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-95.6	168.5	-176.5	-51.6	-66.5	-80.5	0	0	110.2	E192 E195 S199 Y389 Y612	E192-Q197 PolarHBondContact OE1-NE2 2.83Å; E195-Q197 PolarHBondContact O-N 3.07Å; E195-Q197 PolarHBondContact O-NE2 2.77Å; Q197-S199 PolarHBondContact O-N 3.34Å; Q197-Y389 HydrophobicContact CB-CD1 4.34Å; Q197-Y389 HydrophobicContact CB-CE1 3.77Å; Q197-Y389 HydrophobicContact CB-CE2 4.04Å; Q197-Y389 HydrophobicContact CG-CE2 4.48Å; Q197-Y612 VanDerWaalsContact O-CD1 3.22Å; Q197-Y612 WeakPolarHBondContact O-CD1 2.96Å; Q197-Y612 WeakPolarHBondContact O-CE1 3.42Å
198	T	98.7	Very high	98.2	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	16%	0.158	C	C	.	.	S	Bend	trans	-53.1	130.3	170.1	-67.5	0	0	0	0	109.3	W200 L202 I203 Y389 Y612 V613 R614	T198-W200 PolarHBondContact O-N 2.9Å; T198-L202 HydrophobicContact CG2-CB 4.1Å; T198-L202 HydrophobicContact CG2-CD1 4.36Å; T198-I203 HydrophobicContact CG2-CD1 3.65Å; T198-I203 HydrophobicContact CG2-CG1 4.42Å; T198-Y389 WeakPolarHBondContact CB-OH 3.23Å; T198-Y389 PolarHBondContact N-OH 3.14Å; T198-Y389 WeakPolarHBondContact O-CE1 3.34Å; T198-Y389 PolarHBondContact O-OH 3.06Å; T198-Y612 WeakPolarHBondContact CA-O 3.48Å; T198-V613 HydrophobicContact CG2-CG2 4.49Å; T198-R614 PolarHBondContact OG1-N 3.3Å
199	S	98.6	Very high	98.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-59.5	135.8	-172.3	-71.7	0	0	0	0	112	Q197 P201 L202 I203 G395 N609 E610 Y612	Q197-S199 PolarHBondContact O-N 3.34Å; S199-P201 VanDerWaalsContact C-CD 3.44Å; S199-P201 VanDerWaalsContact C-N 3.35Å; S199-L202 WeakPolarHBondContact O-CB 3.42Å; S199-L202 PolarHBondContact O-N 2.87Å; S199-I203 PolarHBondContact O-N 3.36Å; S199-G395 WeakPolarHBondContact CA-O 3.45Å; S199-N609 PolarHBondContact OG-O 3.22Å; S199-E610 VanDerWaalsContact CB-O 3.25Å; S199-E610 WeakPolarHBondContact CB-O 3.36Å; S199-Y612 PolarHBondContact N-O 2.94Å
200	W	98.4	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-50.9	-41.3	-177.6	-86	109	0	0	0	115.2	T198 L202 I203 L204 Y235 F236 L239 M350 Y389 G394 G395	T198-W200 PolarHBondContact O-N 2.9Å; W200-L202 PolarHBondContact O-N 2.96Å; W200-I203 HydrophobicContact CE3-CB 4.27Å; W200-I203 HydrophobicContact CE3-CG2 4.35Å; W200-I203 HydrophobicContact CZ3-CG2 4.32Å; W200-I203 WeakPolarHBondContact O-CB 3.5Å; W200-I203 PolarHBondContact O-N 2.93Å; W200-L204 WeakPolarHBondContact O-CG 3.39Å; W200-L204 PolarHBondContact O-N 2.78Å; W200-Y235 HydrophobicContact CB-CD1 3.44Å; W200-Y235 VanDerWaalsContact CB-CD1 3.44Å; W200-Y235 HydrophobicContact CB-CD2 3.79Å; W200-Y235 HydrophobicContact CB-CE1 3.66Å; W200-Y235 HydrophobicContact CB-CE2 4Å; W200-Y235 HydrophobicContact CB-CG 3.51Å; W200-Y235 AromaticContact CD1-CD2 3.19Å; W200-Y235 AromaticContact CD1-CE2 3.69Å; W200-Y235 AromaticContact CD1-CG 3.62Å; W200-Y235 VanDerWaalsContact CD2-CB 3.45Å; W200-Y235 HydrophobicContact CD2-CD2 4.19Å; W200-Y235 AromaticContact CD2-CG 3.84Å; W200-Y235 HydrophobicContact CD2-CG 3.84Å; W200-Y235 HydrophobicContact CE3-CG 4.47Å; W200-Y235 AromaticContact CG-CD1 3.88Å; W200-Y235 HydrophobicContact CG-CD1 3.88Å; W200-Y235 AromaticContact CG-CD2 3.47Å; W200-Y235 HydrophobicContact CG-CD2 3.47Å; W200-Y235 VanDerWaalsContact CG-CD2 3.47Å; W200-Y235 HydrophobicContact CG-CE1 4.39Å; W200-Y235 HydrophobicContact CG-CE2 4.04Å; W200-Y235 AromaticContact CG-CG 3.38Å; W200-Y235 HydrophobicContact CG-CG 3.38Å; W200-Y235 AromaticContact NE1-CD2 3.82Å; W200-F236 AromaticContact CH2-CD2 3.96Å; W200-F236 HydrophobicContact CH2-CD2 3.96Å; W200-F236 HydrophobicContact CH2-CE1 4.22Å; W200-F236 AromaticContact CH2-CE2 3.56Å; W200-F236 HydrophobicContact CH2-CE2 3.56Å; W200-F236 HydrophobicContact CH2-CG 4.44Å; W200-F236 AromaticContact CH2-CZ 3.67Å; W200-F236 HydrophobicContact CH2-CZ 3.67Å; W200-F236 AromaticContact CZ2-CD2 3.95Å; W200-F236 HydrophobicContact CZ2-CD2 3.95Å; W200-F236 AromaticContact CZ2-CE2 3.46Å; W200-F236 HydrophobicContact CZ2-CE2 3.46Å; W200-F236 VanDerWaalsContact CZ2-CE2 3.46Å; W200-F236 AromaticContact CZ2-CZ 3.98Å; W200-F236 HydrophobicContact CZ2-CZ 3.98Å; W200-L239 HydrophobicContact CZ3-CD2 4.43Å; W200-M350 HydrophobicContact CH2-CE 3.77Å; W200-M350 HydrophobicContact CH2-SD 4.05Å; W200-M350 HydrophobicContact CZ3-CE 3.91Å; W200-Y389 HydrophobicContact CD2-CD1 4.37Å; W200-Y389 HydrophobicContact CD2-CE1 4.42Å; W200-Y389 AromaticContact CE2-CD1 3.6Å; W200-Y389 HydrophobicContact CH2-CD1 4.29Å; W200-Y389 AromaticContact CZ2-CD1 3.55Å; W200-Y389 HydrophobicContact CZ2-CD1 3.55Å; W200-Y389 HydrophobicContact CZ2-CE1 4.34Å; W200-Y389 HydrophobicContact CZ2-CG 4.18Å; W200-Y389 AromaticContact NE1-CD1 3.73Å; W200-G394 PolarHBondContact NE1-O 2.81Å; W200-G395 PolarHBondContact N-O 3.19Å
201	P	97.9	Very high	98.2	Very high	46 Å²	46	27.7 Å²	27.7	30%	0.299	14%	0.138	S	C	.	.	H	α-helix	trans	-51.2	-41.9	174.6	-30.1	36.8	0	0	0	113.3	S199 L204 E205 P397	S199-P201 VanDerWaalsContact C-CD 3.44Å; S199-P201 VanDerWaalsContact C-N 3.35Å; P201-L204 PolarHBondContact O-N 3.5Å; P201-E205 WeakPolarHBondContact O-CB 3.35Å; P201-E205 PolarHBondContact O-N 3.42Å; P201-P397 HydrophobicContact CG-CG 4.42Å
202	L	98.5	Very high	98.3	Very high	6 Å²	6	25 Å²	25	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-71.3	-32.2	179.1	-65.5	179.3	0	0	0	113	T198 S199 W200 N206 V613	T198-L202 HydrophobicContact CG2-CB 4.1Å; T198-L202 HydrophobicContact CG2-CD1 4.36Å; S199-L202 WeakPolarHBondContact O-CB 3.42Å; S199-L202 PolarHBondContact O-N 2.87Å; W200-L202 PolarHBondContact O-N 2.96Å; L202-N206 VanDerWaalsContact O-CB 3.26Å; L202-N206 WeakPolarHBondContact O-CB 3.49Å; L202-N206 PolarHBondContact O-N 3.38Å; L202-N206 PolarHBondContact O-ND2 3.1Å; L202-V613 HydrophobicContact CD1-CG2 3.45Å; L202-V613 VanDerWaalsContact CD1-CG2 3.45Å
203	I	98.5	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-50.5	173	-55.1	-51.1	0	0	0	109.8	T198 S199 W200 E205 N206 S207 V210 M348 M350 Y389	T198-I203 HydrophobicContact CG2-CD1 3.65Å; T198-I203 HydrophobicContact CG2-CG1 4.42Å; S199-I203 PolarHBondContact O-N 3.36Å; W200-I203 HydrophobicContact CE3-CB 4.27Å; W200-I203 HydrophobicContact CE3-CG2 4.35Å; W200-I203 HydrophobicContact CZ3-CG2 4.32Å; W200-I203 WeakPolarHBondContact O-CB 3.5Å; W200-I203 PolarHBondContact O-N 2.93Å; I203-E205 PolarHBondContact O-N 3.26Å; I203-N206 PolarHBondContact O-N 3.44Å; I203-S207 VanDerWaalsContact O-CB 3.31Å; I203-S207 WeakPolarHBondContact O-CB 3.26Å; I203-S207 PolarHBondContact O-N 3.25Å; I203-S207 PolarHBondContact O-OG 2.82Å; I203-V210 HydrophobicContact CG2-CG2 4.39Å; I203-M348 HydrophobicContact CD1-CE 3.44Å; I203-M348 VanDerWaalsContact CD1-CE 3.44Å; I203-M348 HydrophobicContact CD1-CG 4.27Å; I203-M350 HydrophobicContact CG2-CE 3.84Å; I203-Y389 HydrophobicContact CG1-CE1 4.42Å
204	L	98.1	Very high	98.3	Very high	30 Å²	30	25.7 Å²	25.7	16%	0.157	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-29.9	-179.3	-69.5	171.5	0	0	0	112.5	W200 P201 Y235 Q238 L239 K244	W200-L204 WeakPolarHBondContact O-CG 3.39Å; W200-L204 PolarHBondContact O-N 2.78Å; P201-L204 PolarHBondContact O-N 3.5Å; L204-Y235 HydrophobicContact CD1-CD1 4.1Å; L204-Q238 HydrophobicContact CD1-CB 3.76Å; L204-Q238 HydrophobicContact CD2-CB 4.06Å; L204-L239 HydrophobicContact CD2-CB 3.89Å; L204-L239 HydrophobicContact CD2-CD1 4.33Å; L204-K244 PolarHBondContact O-NZ 3.45Å
205	E	98.1	Very high	98.4	Very high	130 Å²	130	22.4 Å²	22.4	61%	0.607	12%	0.116	S	C	*	.	H	α-helix	trans	-79.3	-54	173.8	-177	179.6	-159.3	0	0	111.5	P201 I203 K244	P201-E205 WeakPolarHBondContact O-CB 3.35Å; P201-E205 PolarHBondContact O-N 3.42Å; I203-E205 PolarHBondContact O-N 3.26Å; E205-K244 PolarHBondContact O-NZ 2.89Å
206	N	98.6	Very high	98.4	Very high	50 Å²	50	21.3 Å²	21.3	27%	0.267	11%	0.111	S	C	.	.	H	α-helix	trans	-101.9	-27.8	-159.7	-63	-89.5	0	0	0	115.5	L202 I203 Q208 R346 P381	L202-N206 VanDerWaalsContact O-CB 3.26Å; L202-N206 WeakPolarHBondContact O-CB 3.49Å; L202-N206 PolarHBondContact O-N 3.38Å; L202-N206 PolarHBondContact O-ND2 3.1Å; I203-N206 PolarHBondContact O-N 3.44Å; N206-Q208 PolarHBondContact O-N 2.85Å; N206-R346 WeakPolarHBondContact O-CG 3.39Å; N206-P381 HydrophobicContact CB-CB 4.09Å; N206-P381 WeakPolarHBondContact CB-O 3.31Å
207	S	98.6	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.			trans	-67.5	133.1	178.4	-60.7	0	0	0	0	110.2	I203 K244 G382	I203-S207 VanDerWaalsContact O-CB 3.31Å; I203-S207 WeakPolarHBondContact O-CB 3.26Å; I203-S207 PolarHBondContact O-N 3.25Å; I203-S207 PolarHBondContact O-OG 2.82Å; S207-K244 VanDerWaalsContact O-CD 3.23Å; S207-K244 WeakPolarHBondContact O-CD 3.38Å; S207-K244 WeakPolarHBondContact O-CE 3.25Å; S207-K244 PolarHBondContact O-NZ 3.42Å; S207-G382 VanDerWaalsContact OG-C 3.29Å; S207-G382 WeakPolarHBondContact OG-CA 3.5Å; S207-G382 PolarHBondContact OG-O 2.75Å
208	Q	98.5	Very high	98.3	Very high	95 Å²	95	20.5 Å²	20.5	44%	0.444	11%	0.108	S	C	.	.	S	Bend	trans	-97.7	-28.6	172.3	-62.2	-57.1	-39.8	0	0	111.4	N206 P245 N345 R346	N206-Q208 PolarHBondContact O-N 2.85Å; Q208-P245 WeakPolarHBondContact O-CD 3.38Å; Q208-N345 HydrophobicContact CB-CB 4.05Å; Q208-R346 HydrophobicContact CG-CB 4.31Å; Q208-R346 PolarHBondContact N-O 2.88Å
209	V	98.3	Very high	98.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.3	173.5	179.9	0	0	0	0	108.9	V211 I247 L341 N345 R346 T347 M348	V209-V211 HydrophobicContact CG1-CG2 4.3Å; V209-I247 HydrophobicContact CG1-CG1 4.2Å; V209-L341 HydrophobicContact CG1-CD2 4.23Å; V209-L341 HydrophobicContact CG2-CD1 4.12Å; V209-L341 HydrophobicContact CG2-CD2 4.4Å; V209-L341 HydrophobicContact CG2-CG 4.09Å; V209-N345 HydrophobicContact CG2-CB 3.78Å; V209-R346 PolarHBondContact N-O 2.66Å; V209-R346 VanDerWaalsContact N-O 3.14Å; V209-T347 HydrophobicContact CB-CG2 4.45Å; V209-T347 HydrophobicContact CG1-CG2 4.48Å; V209-T347 WeakPolarHBondContact O-CA 3.47Å; V209-M348 PolarHBondContact O-N 3.33Å
210	V	98.7	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.4	171.3	179.1	0	0	0	0	108.7	I203 L212 L239 P245 V246 I247 M350	I203-V210 HydrophobicContact CG2-CG2 4.39Å; V210-L212 HydrophobicContact CG1-CD2 3.88Å; V210-L239 HydrophobicContact CB-CD2 4.25Å; V210-L239 HydrophobicContact CG1-CD2 4.11Å; V210-L239 HydrophobicContact CG2-CD1 3.98Å; V210-L239 HydrophobicContact CG2-CD2 4.16Å; V210-P245 PolarHBondContact N-O 3.24Å; V210-P245 VanDerWaalsContact N-O 3.17Å; V210-V246 CarbonylContact O-C 3.47Å; V210-V246 VanDerWaalsContact O-CA 3.32Å; V210-V246 WeakPolarHBondContact O-CA 3.4Å; V210-I247 PolarHBondContact O-N 3.34Å; V210-M350 HydrophobicContact CG1-CE 3.83Å; V210-M350 HydrophobicContact CG1-CG 4.15Å; V210-M350 HydrophobicContact CG1-SD 3.81Å
211	V	98.8	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.3	177.2	-174.2	0	0	0	0	108.2	V209 W213 I247 I249 M342 T347 M348 L349 M350	V209-V211 HydrophobicContact CG1-CG2 4.3Å; V211-W213 HydrophobicContact CG1-CE3 4.18Å; V211-I247 CarbonylContact C-O 3.4Å; V211-I247 WeakPolarHBondContact CA-O 3.35Å; V211-I247 HydrophobicContact CG1-CB 4.34Å; V211-I247 HydrophobicContact CG1-CG2 4.46Å; V211-I247 HydrophobicContact CG2-CB 4.3Å; V211-I249 HydrophobicContact CG1-CD1 4.04Å; V211-M342 HydrophobicContact CG1-CE 4.26Å; V211-M342 HydrophobicContact CG2-CE 3.79Å; V211-T347 HydrophobicContact CG2-CG2 3.85Å; V211-M348 PolarHBondContact N-O 2.85Å; V211-L349 HydrophobicContact CB-CD2 3.71Å; V211-L349 HydrophobicContact CG1-CD2 4.25Å; V211-L349 HydrophobicContact CG2-CD2 3.65Å; V211-M350 WeakPolarHBondContact O-CA 3.38Å; V211-M350 PolarHBondContact O-N 2.81Å; V211-M350 VanDerWaalsContact O-O 3.14Å
212	L	98.8	Very high	98	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.3	172.5	-51.8	-176.8	0	0	0	108	V210 M215 F236 V246 I247 A248 I249 T256 F260 M350	V210-L212 HydrophobicContact CG1-CD2 3.88Å; L212-M215 HydrophobicContact CB-CG 3.86Å; L212-M215 HydrophobicContact CB-SD 4.08Å; L212-M215 HydrophobicContact CD2-CE 4.29Å; L212-M215 HydrophobicContact CD2-SD 3.9Å; L212-F236 HydrophobicContact CD1-CE1 4.25Å; L212-F236 HydrophobicContact CD2-CE1 4.02Å; L212-F236 HydrophobicContact CD2-CZ 4.43Å; L212-V246 HydrophobicContact CD1-CG1 3.71Å; L212-V246 HydrophobicContact CG-CG1 3.8Å; L212-I247 PolarHBondContact N-O 2.82Å; L212-A248 WeakPolarHBondContact O-CA 3.08Å; L212-I249 PolarHBondContact O-N 2.78Å; L212-T256 HydrophobicContact CD1-CG2 3.77Å; L212-F260 HydrophobicContact CD1-CD2 4.48Å; L212-F260 HydrophobicContact CD1-CE2 3.93Å; L212-M350 HydrophobicContact CD2-CB 4.1Å; L212-M350 HydrophobicContact CD2-CG 4.42Å; L212-M350 HydrophobicContact CD2-SD 3.94Å
213	W	98.8	Very high	98	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	108.6	-174.5	-152.7	-43.3	0	0	0	111	V211 M215 I249 D274 L277 M278 I281 M350 A351 G352 L368 L371	V211-W213 HydrophobicContact CG1-CE3 4.18Å; W213-M215 VanDerWaalsContact C-N 3.33Å; W213-M215 PolarHBondContact O-N 2.77Å; W213-I249 HydrophobicContact CD2-CB 4.36Å; W213-I249 HydrophobicContact CD2-CD1 3.79Å; W213-I249 HydrophobicContact CD2-CG2 4.49Å; W213-I249 HydrophobicContact CE3-CD1 3.75Å; W213-I249 HydrophobicContact CG-CB 4.25Å; W213-I249 HydrophobicContact CG-CD1 4.48Å; W213-I249 HydrophobicContact CH2-CD1 3.86Å; W213-I249 HydrophobicContact CZ2-CD1 3.92Å; W213-I249 HydrophobicContact CZ2-CG2 4.35Å; W213-I249 HydrophobicContact CZ3-CD1 3.79Å; W213-D274 PolarHBondContact NE1-OD1 3.49Å; W213-L277 HydrophobicContact CH2-CD2 4.35Å; W213-L277 HydrophobicContact CH2-CG 4.3Å; W213-L277 HydrophobicContact CZ2-CB 4.37Å; W213-L277 HydrophobicContact CZ2-CD2 3.85Å; W213-L277 HydrophobicContact CZ2-CG 4.08Å; W213-M278 HydrophobicContact CD2-CE 3.72Å; W213-M278 HydrophobicContact CE3-CE 4.05Å; W213-M278 HydrophobicContact CG-CE 4.38Å; W213-M278 HydrophobicContact CH2-CB 4.31Å; W213-M278 HydrophobicContact CH2-CE 3.84Å; W213-M278 HydrophobicContact CH2-CG 3.2Å; W213-M278 HydrophobicContact CH2-SD 4.36Å; W213-M278 HydrophobicContact CZ2-CE 3.45Å; W213-M278 VanDerWaalsContact CZ2-CE 3.45Å; W213-M278 HydrophobicContact CZ2-CG 3.45Å; W213-M278 VanDerWaalsContact CZ2-CG 3.45Å; W213-M278 HydrophobicContact CZ2-SD 4.33Å; W213-M278 HydrophobicContact CZ3-CE 4.11Å; W213-M278 HydrophobicContact CZ3-CG 3.94Å; W213-I281 HydrophobicContact CH2-CD1 4.09Å; W213-M350 PolarHBondContact N-O 3.17Å; W213-A351 HydrophobicContact CB-CB 4.41Å; W213-A351 WeakPolarHBondContact O-CA 3.4Å; W213-G352 PolarHBondContact O-N 3.01Å; W213-L368 HydrophobicContact CE3-CD1 4.42Å; W213-L371 HydrophobicContact CH2-CD2 4.47Å; W213-L371 HydrophobicContact CZ3-CD2 4.1Å
214	G	97.9	Very high	98	Very high	14 Å²	14	21.7 Å²	21.7	14%	0.144	11%	0.111	C	C	.	.	S	Bend	trans	58.2	40.1	177.9	0	0	0	0	0	114	I249 G352	G214-I249 PolarHBondContact N-O 3.03Å; G214-G352 WeakPolarHBondContact O-CA 3.29Å
215	M	97.7	Very high	97.9	Very high	10 Å²	10	24 Å²	24	5%	0.049	12%	0.118	C	C	.	.			trans	-137.1	147.3	-176.8	66.5	-170.9	-72.7	0	0	112.5	L212 W213 P217 F236 M350 H390	L212-M215 HydrophobicContact CB-CG 3.86Å; L212-M215 HydrophobicContact CB-SD 4.08Å; L212-M215 HydrophobicContact CD2-CE 4.29Å; L212-M215 HydrophobicContact CD2-SD 3.9Å; W213-M215 VanDerWaalsContact C-N 3.33Å; W213-M215 PolarHBondContact O-N 2.77Å; M215-P217 HydrophobicContact CE-CB 4.46Å; M215-P217 HydrophobicContact CE-CG 4.17Å; M215-F236 HydrophobicContact CE-CZ 4.11Å; M215-M350 HydrophobicContact CE-CB 4Å; M215-M350 VanDerWaalsContact SD-C 3.55Å; M215-M350 HydrophobicContact SD-CB 3.52Å; M215-M350 VanDerWaalsContact SD-CB 3.52Å; M215-H390 HydrophobicContact CB-CB 4.21Å; M215-H390 HydrophobicContact CE-CB 3.57Å
216	N	97.9	Very high	97.9	Very high	25 Å²	25	18.1 Å²	18.1	13%	0.134	9%	0.092	C	C	.	.			trans	-132.9	70.6	178	-176.6	11.4	0	0	0	110.9	L218 N219 T220 E255 T256	N216-L218 VanDerWaalsContact C-N 3.31Å; N216-L218 PolarHBondContact O-N 3.4Å; N216-N219 HydrophobicContact CB-CB 4.36Å; N216-N219 WeakPolarHBondContact ND2-CB 3.34Å; N216-N219 WeakPolarHBondContact O-CA 3.31Å; N216-N219 VanDerWaalsContact O-CB 3.28Å; N216-N219 WeakPolarHBondContact O-CB 3.42Å; N216-N219 PolarHBondContact O-N 3.46Å; N216-T220 PolarHBondContact O-N 3.03Å; N216-T220 PolarHBondContact O-OG1 2.81Å; N216-E255 PolarHBondContact ND2-OE2 2.95Å; N216-E255 PolarHBondContact OD1-OE2 3.42Å; N216-T256 VanDerWaalsContact C-OG1 3.31Å; N216-T256 WeakPolarHBondContact CA-OG1 3.39Å; N216-T256 WeakPolarHBondContact OD1-CB 3.4Å; N216-T256 PolarHBondContact OD1-N 3.37Å; N216-T256 PolarHBondContact OD1-OG1 2.89Å
217	P	97.8	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.6	-31.8	-174.4	20.4	-33.8	0	0	0	115.1	M215 N219 T220 L221 F236 T256 H390	M215-P217 HydrophobicContact CE-CB 4.46Å; M215-P217 HydrophobicContact CE-CG 4.17Å; P217-N219 PolarHBondContact O-N 2.58Å; P217-T220 PolarHBondContact O-N 3Å; P217-L221 HydrophobicContact CB-CD1 3.59Å; P217-L221 HydrophobicContact CB-CG 4.12Å; P217-L221 WeakPolarHBondContact O-CB 3.27Å; P217-L221 WeakPolarHBondContact O-CG 3.33Å; P217-L221 PolarHBondContact O-N 2.8Å; P217-F236 HydrophobicContact CB-CD1 4.41Å; P217-F236 HydrophobicContact CB-CD2 3.87Å; P217-F236 HydrophobicContact CB-CE1 4.05Å; P217-F236 HydrophobicContact CB-CE2 3.43Å; P217-F236 VanDerWaalsContact CB-CE2 3.43Å; P217-F236 HydrophobicContact CB-CG 4.37Å; P217-F236 HydrophobicContact CB-CZ 3.56Å; P217-F236 HydrophobicContact CG-CD1 3.89Å; P217-F236 HydrophobicContact CG-CD2 4.24Å; P217-F236 HydrophobicContact CG-CE1 3.4Å; P217-F236 HydrophobicContact CG-CE2 3.77Å; P217-F236 HydrophobicContact CG-CG 4.32Å; P217-F236 HydrophobicContact CG-CZ 3.35Å; P217-T256 VanDerWaalsContact CD-OG1 3.28Å; P217-T256 WeakPolarHBondContact CD-OG1 3.47Å; P217-T256 HydrophobicContact CG-CG2 3.71Å; P217-H390 HydrophobicContact CB-CB 4.45Å
218	L	96.3	Very high	97.8	Very high	13 Å²	13	15.8 Å²	15.8	7%	0.068	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-26.5	175.5	-83	-73.1	0	0	0	112	I67 N216 K222 L233 F236 E255 T256 F259	I67-L218 HydrophobicContact CD1-CD1 3.69Å; I67-L218 HydrophobicContact CG2-CD1 4.4Å; N216-L218 VanDerWaalsContact C-N 3.31Å; N216-L218 PolarHBondContact O-N 3.4Å; L218-K222 WeakPolarHBondContact O-CE 3.48Å; L218-L233 HydrophobicContact CD1-CD2 4.06Å; L218-F236 HydrophobicContact CD2-CB 4.34Å; L218-E255 HydrophobicContact CB-CG 3.86Å; L218-T256 WeakPolarHBondContact CB-OG1 3.49Å; L218-T256 HydrophobicContact CD2-CG2 3.97Å; L218-T256 PolarHBondContact N-OG1 2.73Å; L218-F259 HydrophobicContact CD1-CB 4.49Å; L218-F259 HydrophobicContact CD1-CD1 4.42Å; L218-F259 HydrophobicContact CD1-CD2 4.24Å; L218-F259 HydrophobicContact CD1-CG 4.13Å; L218-F259 HydrophobicContact CD2-CD1 4.06Å; L218-F259 HydrophobicContact CD2-CG 4.36Å; L218-F259 HydrophobicContact CG-CB 4.12Å; L218-F259 HydrophobicContact CG-CD1 4.38Å; L218-F259 HydrophobicContact CG-CG 4.18Å
219	N	96.4	Very high	97.7	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.064	6%	0.058	C	C	.	.	H	α-helix	trans	-83.7	-60.9	169.7	-172.4	-8.3	0	0	0	111.2	N216 P217 L221 K222 E255 H676 P677 A678	N216-N219 HydrophobicContact CB-CB 4.36Å; N216-N219 WeakPolarHBondContact ND2-CB 3.34Å; N216-N219 WeakPolarHBondContact O-CA 3.31Å; N216-N219 VanDerWaalsContact O-CB 3.28Å; N216-N219 WeakPolarHBondContact O-CB 3.42Å; N216-N219 PolarHBondContact O-N 3.46Å; P217-N219 PolarHBondContact O-N 2.58Å; N219-L221 VanDerWaalsContact C-N 3.32Å; N219-L221 PolarHBondContact O-N 2.9Å; N219-K222 WeakPolarHBondContact O-CB 3.35Å; N219-K222 WeakPolarHBondContact O-CG 3.49Å; N219-K222 PolarHBondContact O-N 3.41Å; N219-E255 VanDerWaalsContact CB-OE1 3.28Å; N219-E255 WeakPolarHBondContact CB-OE1 3.41Å; N219-H676 PolarHBondContact ND2-O 3.03Å; N219-P677 PolarHBondContact OD1-O 3.46Å; N219-A678 VanDerWaalsContact OD1-CA 3.32Å; N219-A678 WeakPolarHBondContact OD1-CA 3.38Å
220	T	98	Very high	97.7	Very high	28 Å²	28	11.4 Å²	11.4	17%	0.172	6%	0.059	C	C	.	.	H	α-helix	trans	-74.5	-17.7	-163.5	58.8	0	0	0	0	114.3	N216 P217 K222 H390	N216-T220 PolarHBondContact O-N 3.03Å; N216-T220 PolarHBondContact O-OG1 2.81Å; P217-T220 PolarHBondContact O-N 3Å; T220-K222 VanDerWaalsContact C-N 3.35Å; T220-H390 WeakPolarHBondContact CB-O 3.36Å; T220-H390 PolarHBondContact OG1-O 2.88Å
221	L	97.9	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.8	176.3	-64.3	170.5	0	0	0	113.8	P217 N219 I223 T228 L233 F236 H390	P217-L221 HydrophobicContact CB-CD1 3.59Å; P217-L221 HydrophobicContact CB-CG 4.12Å; P217-L221 WeakPolarHBondContact O-CB 3.27Å; P217-L221 WeakPolarHBondContact O-CG 3.33Å; P217-L221 PolarHBondContact O-N 2.8Å; N219-L221 VanDerWaalsContact C-N 3.32Å; N219-L221 PolarHBondContact O-N 2.9Å; L221-I223 PolarHBondContact O-N 3.04Å; L221-T228 PolarHBondContact O-OG1 2.75Å; L221-L233 HydrophobicContact CB-CD2 3.99Å; L221-L233 HydrophobicContact CB-CG 3.93Å; L221-F236 HydrophobicContact CD1-CD2 3.68Å; L221-F236 HydrophobicContact CD1-CE2 3.74Å; L221-H390 VanDerWaalsContact CD2-C 3.48Å; L221-H390 WeakPolarHBondContact CD2-O 3.45Å
222	K	96.9	Very high	97.5	Very high	21 Å²	21	13.1 Å²	13.1	9%	0.091	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.5	169.5	-69.9	172.6	179.2	161.5	0	112.7	W44 N69 L71 L218 N219 T220 A678	W44-K222 WeakPolarHBondContact CA-O 3.26Å; W44-K222 WeakPolarHBondContact CB-O 3.41Å; N69-K222 PolarHBondContact ND2-O 3.41Å; L71-K222 HydrophobicContact CD1-CB 4.41Å; L218-K222 WeakPolarHBondContact O-CE 3.48Å; N219-K222 WeakPolarHBondContact O-CB 3.35Å; N219-K222 WeakPolarHBondContact O-CG 3.49Å; N219-K222 PolarHBondContact O-N 3.41Å; T220-K222 VanDerWaalsContact C-N 3.35Å; K222-A678 PolarHBondContact NZ-O 3.27Å
223	I	97.7	Very high	97.4	Very high	20 Å²	20	13.1 Å²	13.1	10%	0.103	7%	0.067	C	C	.	.			trans	-133.1	160.3	-176.3	55.8	89.1	0	0	0	109.7	R43 W44 L71 W145 L221 L681	R43-I223 CarbonylContact O-C 3.46Å; R43-I223 WeakPolarHBondContact O-CA 3.34Å; W44-I223 HydrophobicContact CB-CG2 4.2Å; L71-I223 HydrophobicContact CD1-CG2 3.54Å; W145-I223 HydrophobicContact CH2-CD1 3.29Å; W145-I223 HydrophobicContact CZ2-CD1 4.25Å; W145-I223 HydrophobicContact CZ3-CD1 3.62Å; L221-I223 PolarHBondContact O-N 3.04Å; I223-L681 HydrophobicContact CB-CD1 4.46Å; I223-L681 HydrophobicContact CD1-CD1 4.29Å; I223-L681 HydrophobicContact CG1-CD1 4.22Å; I223-L681 HydrophobicContact CG2-CD1 4.34Å
224	A	98	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.			trans	-145.2	167.3	170.1	0	0	0	0	0	109.7	R43 S392 D519	R43-A224 WeakPolarHBondContact CD-O 3.13Å; R43-A224 PolarHBondContact O-N 2.9Å; A224-S392 WeakPolarHBondContact CA-OG 3.48Å; A224-D519 WeakPolarHBondContact CB-OD2 3.4Å
225	W	97.1	Very high	97.2	Very high	78 Å²	78	14.7 Å²	14.7	30%	0.295	7%	0.069	S	C	.	.	S	Bend	trans	-63.1	-59.3	178.3	176.1	-104.3	0	0	0	109.6	R43 Y391 S392 D519	R43-W225 WeakPolarHBondContact CD-O 3.21Å; R43-W225 PolarHBondContact NE-O 2.92Å; R43-W225 PolarHBondContact NH1-O 3.25Å; W225-Y391 WeakPolarHBondContact CB-OH 3.46Å; W225-S392 PolarHBondContact N-OG 2.87Å; W225-D519 WeakPolarHBondContact CB-OD1 3.34Å; W225-D519 PolarHBondContact N-OD2 2.85Å; W225-D519 VanDerWaalsContact N-OD2 3.13Å
226	S	96.7	Very high	97.2	Very high	8 Å²	8	14.2 Å²	14.2	6%	0.056	7%	0.067	C	C	.	.	S	Bend	trans	-71.3	-80.2	175.6	50.9	0	0	0	0	111.6	S148 D519	S148-S226 WeakPolarHBondContact CB-O 3.31Å; S148-S226 PolarHBondContact OG-O 3.42Å; S226-D519 VanDerWaalsContact CB-OD1 3.31Å; S226-D519 WeakPolarHBondContact CB-OD1 3.33Å; S226-D519 PolarHBondContact N-OD1 2.95Å; S226-D519 PolarHBondContact N-OD2 3.19Å; S226-D519 PolarHBondContact OG-OD1 3.2Å; S226-D519 PolarHBondContact OG-OD2 3.17Å
227	S	97.8	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.			trans	-154.7	136.1	171.8	-171.6	0	0	0	0	107.8	G42 G45 M516 T517 G518	G42-S227 VanDerWaalsContact O-CB 3.3Å; G42-S227 WeakPolarHBondContact O-CB 3.46Å; G42-S227 PolarHBondContact O-OG 3.14Å; G45-S227 VanDerWaalsContact C-OG 3.24Å; G45-S227 WeakPolarHBondContact CA-OG 3.49Å; S227-M516 WeakPolarHBondContact CB-O 3.45Å; S227-T517 CarbonylContact O-C 3.53Å; S227-T517 WeakPolarHBondContact O-CA 3.24Å; S227-G518 PolarHBondContact O-N 2.98Å
228	T	97.9	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.			trans	-66.3	138.2	-177.6	-173.1	0	0	0	0	111.8	R43 W44 L221 E230 N393	R43-T228 PolarHBondContact O-N 2.95Å; W44-T228 VanDerWaalsContact C-CG2 3.48Å; L221-T228 PolarHBondContact O-OG1 2.75Å; T228-E230 VanDerWaalsContact C-N 3.26Å; T228-E230 HydrophobicContact CG2-CG 3.86Å; T228-E230 PolarHBondContact OG1-N 2.98Å; T228-E230 VanDerWaalsContact OG1-N 3.12Å; T228-N393 PolarHBondContact OG1-ND2 3.18Å
229	D	97.1	Very high	97.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.085	C	C	.	.			trans	-86	-1.4	168.7	63.2	22.3	0	0	0	112.6	Q231 N393 N396 G518 S521 Q523	D229-Q231 HydrophobicContact CB-CG 4.35Å; D229-Q231 PolarHBondContact O-N 3.27Å; D229-Q231 PolarHBondContact O-NE2 3.46Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.22Å; D229-Q231 PolarHBondContact OD1-N 2.75Å; D229-N393 WeakPolarHBondContact OD1-CB 3.15Å; D229-N393 PolarHBondContact OD1-ND2 3.11Å; D229-N393 VanDerWaalsContact OD1-ND2 3.11Å; D229-N396 PolarHBondContact OD2-ND2 3.48Å; D229-G518 WeakPolarHBondContact OD2-CA 3.25Å; D229-S521 WeakPolarHBondContact OD2-CB 3.4Å; D229-S521 PolarHBondContact OD2-OG 3.24Å; D229-Q523 HydrophobicContact CB-CB 4.22Å
230	E	96.6	Very high	97.2	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	10%	0.098	C	C	.	.	S	Bend	trans	62.8	2.1	178.5	-52.4	177.9	-158.9	0	0	114.9	L63 K65 Q72 T228 G232 L233	L63-E230 HydrophobicContact CD1-CG 4.46Å; K65-E230 WeakPolarHBondContact CB-OE2 3.47Å; K65-E230 WeakPolarHBondContact CD-OE2 3.36Å; K65-E230 WeakPolarHBondContact CE-OE2 3.37Å; K65-E230 IonicContact NZ-OE1 3.8Å; K65-E230 PolarHBondContact NZ-OE1 2.82Å; K65-E230 VanDerWaalsContact NZ-OE1 3.16Å; K65-E230 IonicContact NZ-OE2 2.97Å; K65-E230 PolarHBondContact NZ-OE2 2.86Å; Q72-E230 PolarHBondContact NE2-OE1 3.43Å; T228-E230 VanDerWaalsContact C-N 3.26Å; T228-E230 HydrophobicContact CG2-CG 3.86Å; T228-E230 PolarHBondContact OG1-N 2.98Å; T228-E230 VanDerWaalsContact OG1-N 3.12Å; E230-G232 PolarHBondContact O-N 3.18Å; E230-L233 PolarHBondContact O-N 3.08Å
231	Q	96.8	Very high	97.1	Very high	36 Å²	36	27.4 Å²	27.4	17%	0.168	12%	0.122	C	C	.	.	H	α-helix	trans	-72.4	-29.9	-171.6	-63.9	-54.7	-70.1	0	0	113.5	D229 L233 E234 Y235 N396	D229-Q231 HydrophobicContact CB-CG 4.35Å; D229-Q231 PolarHBondContact O-N 3.27Å; D229-Q231 PolarHBondContact O-NE2 3.46Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.22Å; D229-Q231 PolarHBondContact OD1-N 2.75Å; Q231-L233 VanDerWaalsContact C-N 3.29Å; Q231-L233 PolarHBondContact O-N 3.39Å; Q231-E234 WeakPolarHBondContact O-CB 3.4Å; Q231-E234 PolarHBondContact O-N 3.38Å; Q231-E234 VanDerWaalsContact O-N 3.08Å; Q231-Y235 HydrophobicContact CB-CD2 4.25Å; Q231-Y235 HydrophobicContact CB-CE2 3.85Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.46Å; Q231-Y235 PolarHBondContact O-N 3.4Å; Q231-N396 HydrophobicContact CB-CB 4.45Å; Q231-N396 WeakPolarHBondContact CB-ND2 3.33Å; Q231-N396 VanDerWaalsContact CG-ND2 3.31Å; Q231-N396 WeakPolarHBondContact CG-ND2 3.49Å
232	G	97	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.2	-44.9	178	0	0	0	0	0	111.5	E230 E234 Y235 F236 N393	E230-G232 PolarHBondContact O-N 3.18Å; G232-E234 VanDerWaalsContact C-N 3.3Å; G232-E234 PolarHBondContact O-N 3.47Å; G232-Y235 PolarHBondContact O-N 3.13Å; G232-F236 VanDerWaalsContact O-CD2 3.31Å; G232-F236 WeakPolarHBondContact O-CD2 3.46Å; G232-F236 PolarHBondContact O-N 2.88Å; G232-N393 VanDerWaalsContact CA-OD1 3.27Å; G232-N393 WeakPolarHBondContact CA-OD1 3.14Å; G232-N393 PolarHBondContact N-OD1 3.04Å
233	L	96.4	Very high	97	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-40.5	175.5	-67.9	170.9	0	0	0	111.6	I67 L218 L221 E230 Q231 F236 H237	I67-L233 HydrophobicContact CB-CB 4.45Å; I67-L233 HydrophobicContact CB-CD1 4.48Å; I67-L233 HydrophobicContact CD1-CB 4.02Å; I67-L233 HydrophobicContact CD1-CD2 4.47Å; I67-L233 HydrophobicContact CG2-CD1 4.33Å; L218-L233 HydrophobicContact CD1-CD2 4.06Å; L221-L233 HydrophobicContact CB-CD2 3.99Å; L221-L233 HydrophobicContact CB-CG 3.93Å; E230-L233 PolarHBondContact O-N 3.08Å; Q231-L233 VanDerWaalsContact C-N 3.29Å; Q231-L233 PolarHBondContact O-N 3.39Å; L233-F236 PolarHBondContact O-N 3.38Å; L233-H237 PolarHBondContact O-N 3.33Å
234	E	96.9	Very high	96.9	Very high	27 Å²	27	31.4 Å²	31.4	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-37.2	176.2	-60.8	-53.6	137.7	0	0	112.9	T66 Q231 G232 H237 Q238	T66-E234 WeakPolarHBondContact CB-OE2 3.42Å; T66-E234 VanDerWaalsContact CG2-OE2 3.23Å; T66-E234 WeakPolarHBondContact CG2-OE2 3.44Å; T66-E234 PolarHBondContact N-OE1 3.22Å; T66-E234 PolarHBondContact OG1-OE1 3.41Å; T66-E234 PolarHBondContact OG1-OE2 2.74Å; Q231-E234 WeakPolarHBondContact O-CB 3.4Å; Q231-E234 PolarHBondContact O-N 3.38Å; Q231-E234 VanDerWaalsContact O-N 3.08Å; G232-E234 VanDerWaalsContact C-N 3.3Å; G232-E234 PolarHBondContact O-N 3.47Å; E234-H237 WeakPolarHBondContact O-CB 3.47Å; E234-H237 PolarHBondContact O-N 2.86Å; E234-Q238 WeakPolarHBondContact O-CG 3.28Å; E234-Q238 PolarHBondContact O-N 3.06Å
235	Y	97.5	Very high	96.9	Very high	21 Å²	21	34.5 Å²	34.5	8%	0.082	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-36.7	174.9	-67.4	-60.4	0	0	0	112.5	W200 L204 Q231 G232 H237 Q238 L239 N396 P397	W200-Y235 HydrophobicContact CB-CD1 3.44Å; W200-Y235 VanDerWaalsContact CB-CD1 3.44Å; W200-Y235 HydrophobicContact CB-CD2 3.79Å; W200-Y235 HydrophobicContact CB-CE1 3.66Å; W200-Y235 HydrophobicContact CB-CE2 4Å; W200-Y235 HydrophobicContact CB-CG 3.51Å; W200-Y235 AromaticContact CD1-CD2 3.19Å; W200-Y235 AromaticContact CD1-CE2 3.69Å; W200-Y235 AromaticContact CD1-CG 3.62Å; W200-Y235 VanDerWaalsContact CD2-CB 3.45Å; W200-Y235 HydrophobicContact CD2-CD2 4.19Å; W200-Y235 AromaticContact CD2-CG 3.84Å; W200-Y235 HydrophobicContact CD2-CG 3.84Å; W200-Y235 HydrophobicContact CE3-CG 4.47Å; W200-Y235 AromaticContact CG-CD1 3.88Å; W200-Y235 HydrophobicContact CG-CD1 3.88Å; W200-Y235 AromaticContact CG-CD2 3.47Å; W200-Y235 HydrophobicContact CG-CD2 3.47Å; W200-Y235 VanDerWaalsContact CG-CD2 3.47Å; W200-Y235 HydrophobicContact CG-CE1 4.39Å; W200-Y235 HydrophobicContact CG-CE2 4.04Å; W200-Y235 AromaticContact CG-CG 3.38Å; W200-Y235 HydrophobicContact CG-CG 3.38Å; W200-Y235 AromaticContact NE1-CD2 3.82Å; L204-Y235 HydrophobicContact CD1-CD1 4.1Å; Q231-Y235 HydrophobicContact CB-CD2 4.25Å; Q231-Y235 HydrophobicContact CB-CE2 3.85Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.46Å; Q231-Y235 PolarHBondContact O-N 3.4Å; G232-Y235 PolarHBondContact O-N 3.13Å; Y235-H237 VanDerWaalsContact C-N 3.28Å; Y235-H237 PolarHBondContact O-N 3.04Å; Y235-Q238 PolarHBondContact O-N 3.14Å; Y235-L239 PolarHBondContact O-N 2.83Å; Y235-N396 HydrophobicContact CE2-CB 4.04Å; Y235-N396 PolarHBondContact OH-OD1 2.71Å; Y235-N396 VanDerWaalsContact OH-OD1 3.1Å; Y235-P397 WeakPolarHBondContact OH-CD 3.37Å
236	F	97.3	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-36.6	170.4	-87.7	-84.1	0	0	0	111.7	W200 L212 M215 P217 L218 L221 G232 L233 L239 K240 F260 M350	W200-F236 AromaticContact CH2-CD2 3.96Å; W200-F236 HydrophobicContact CH2-CD2 3.96Å; W200-F236 HydrophobicContact CH2-CE1 4.22Å; W200-F236 AromaticContact CH2-CE2 3.56Å; W200-F236 HydrophobicContact CH2-CE2 3.56Å; W200-F236 HydrophobicContact CH2-CG 4.44Å; W200-F236 AromaticContact CH2-CZ 3.67Å; W200-F236 HydrophobicContact CH2-CZ 3.67Å; W200-F236 AromaticContact CZ2-CD2 3.95Å; W200-F236 HydrophobicContact CZ2-CD2 3.95Å; W200-F236 AromaticContact CZ2-CE2 3.46Å; W200-F236 HydrophobicContact CZ2-CE2 3.46Å; W200-F236 VanDerWaalsContact CZ2-CE2 3.46Å; W200-F236 AromaticContact CZ2-CZ 3.98Å; W200-F236 HydrophobicContact CZ2-CZ 3.98Å; L212-F236 HydrophobicContact CD1-CE1 4.25Å; L212-F236 HydrophobicContact CD2-CE1 4.02Å; L212-F236 HydrophobicContact CD2-CZ 4.43Å; M215-F236 HydrophobicContact CE-CZ 4.11Å; P217-F236 HydrophobicContact CB-CD1 4.41Å; P217-F236 HydrophobicContact CB-CD2 3.87Å; P217-F236 HydrophobicContact CB-CE1 4.05Å; P217-F236 HydrophobicContact CB-CE2 3.43Å; P217-F236 VanDerWaalsContact CB-CE2 3.43Å; P217-F236 HydrophobicContact CB-CG 4.37Å; P217-F236 HydrophobicContact CB-CZ 3.56Å; P217-F236 HydrophobicContact CG-CD1 3.89Å; P217-F236 HydrophobicContact CG-CD2 4.24Å; P217-F236 HydrophobicContact CG-CE1 3.4Å; P217-F236 HydrophobicContact CG-CE2 3.77Å; P217-F236 HydrophobicContact CG-CG 4.32Å; P217-F236 HydrophobicContact CG-CZ 3.35Å; L218-F236 HydrophobicContact CD2-CB 4.34Å; L221-F236 HydrophobicContact CD1-CD2 3.68Å; L221-F236 HydrophobicContact CD1-CE2 3.74Å; G232-F236 VanDerWaalsContact O-CD2 3.31Å; G232-F236 WeakPolarHBondContact O-CD2 3.46Å; G232-F236 PolarHBondContact O-N 2.88Å; L233-F236 PolarHBondContact O-N 3.38Å; F236-L239 PolarHBondContact O-N 3.04Å; F236-K240 PolarHBondContact O-N 3.31Å; F236-F260 AromaticContact CD1-CE2 3.97Å; F236-F260 HydrophobicContact CD1-CE2 3.97Å; F236-F260 AromaticContact CD1-CZ 3.78Å; F236-F260 HydrophobicContact CD1-CZ 3.78Å; F236-F260 HydrophobicContact CE1-CE2 4.45Å; F236-F260 HydrophobicContact CE1-CZ 4.43Å; F236-M350 HydrophobicContact CZ-SD 4.36Å
237	H	96	Very high	97	Very high	39 Å²	39	30.9 Å²	30.9	18%	0.181	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-39.4	172.2	-174.4	54.7	0	0	0	113.1	T66 I67 L233 E234 Y235 K240 K241 F259	T66-H237 PolarHBondContact OG1-CD2 2.73Å; I67-H237 HydrophobicContact CD1-CB 4.48Å; L233-H237 PolarHBondContact O-N 3.33Å; E234-H237 WeakPolarHBondContact O-CB 3.47Å; E234-H237 PolarHBondContact O-N 2.86Å; Y235-H237 VanDerWaalsContact C-N 3.28Å; Y235-H237 PolarHBondContact O-N 3.04Å; H237-K240 PolarHBondContact O-N 3.31Å; H237-K241 WeakPolarHBondContact NE2-CE 3.27Å; H237-K241 WeakPolarHBondContact O-CG 3.05Å; H237-K241 PolarHBondContact O-N 2.9Å; H237-F259 HydrophobicContact CB-CZ 4.06Å; H237-F259 AromaticContact ND1-CZ 3.64Å
238	Q	96.7	Very high	97	Very high	86 Å²	86	31 Å²	31	40%	0.402	17%	0.165	S	C	.	.	H	α-helix	trans	-65.1	-40.9	172.3	-69.1	168.8	41.6	0	0	111.9	L204 E234 Y235 K240 K241 S242	L204-Q238 HydrophobicContact CD1-CB 3.76Å; L204-Q238 HydrophobicContact CD2-CB 4.06Å; E234-Q238 WeakPolarHBondContact O-CG 3.28Å; E234-Q238 PolarHBondContact O-N 3.06Å; Y235-Q238 PolarHBondContact O-N 3.14Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.12Å; Q238-K241 PolarHBondContact O-N 3Å; Q238-S242 PolarHBondContact O-N 2.88Å
239	L	97.6	Very high	97.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-43.8	175.2	-179.9	59.3	0	0	0	110.7	W200 L204 V210 Y235 F236 K241 S242 K244 V246 F260	W200-L239 HydrophobicContact CZ3-CD2 4.43Å; L204-L239 HydrophobicContact CD2-CB 3.89Å; L204-L239 HydrophobicContact CD2-CD1 4.33Å; V210-L239 HydrophobicContact CB-CD2 4.25Å; V210-L239 HydrophobicContact CG1-CD2 4.11Å; V210-L239 HydrophobicContact CG2-CD1 3.98Å; V210-L239 HydrophobicContact CG2-CD2 4.16Å; Y235-L239 PolarHBondContact O-N 2.83Å; F236-L239 PolarHBondContact O-N 3.04Å; L239-K241 PolarHBondContact O-N 3.46Å; L239-S242 WeakPolarHBondContact O-CB 3.4Å; L239-S242 PolarHBondContact O-N 2.81Å; L239-S242 PolarHBondContact O-OG 3.22Å; L239-K244 HydrophobicContact CD1-CB 4.42Å; L239-V246 HydrophobicContact CD2-CG2 4.36Å; L239-V246 HydrophobicContact CG-CG2 4.45Å; L239-F260 HydrophobicContact CB-CE1 4.28Å; L239-F260 HydrophobicContact CB-CZ 4.42Å; L239-F260 HydrophobicContact CD2-CE1 4.21Å; L239-F260 HydrophobicContact CD2-CZ 3.9Å; L239-F260 HydrophobicContact CG-CE1 3.94Å; L239-F260 HydrophobicContact CG-CZ 4.11Å
240	K	96.8	Very high	97.1	Very high	75 Å²	75	31.8 Å²	31.8	33%	0.326	17%	0.169	S	C	.	.	H	α-helix	trans	-58.2	-48.9	173.8	177	-177.3	178.6	169.6	0	111.4	F236 H237 Q238 S242 G243 F259 F260 N263	F236-K240 PolarHBondContact O-N 3.31Å; H237-K240 PolarHBondContact O-N 3.31Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.12Å; K240-S242 PolarHBondContact O-N 2.98Å; K240-G243 PolarHBondContact O-N 3.05Å; K240-F259 HydrophobicContact CB-CD1 4.42Å; K240-F259 HydrophobicContact CB-CE1 3.66Å; K240-F259 HydrophobicContact CB-CZ 4.11Å; K240-F259 HydrophobicContact CD-CD1 4Å; K240-F259 HydrophobicContact CD-CD2 4.27Å; K240-F259 HydrophobicContact CD-CE1 3.59Å; K240-F259 HydrophobicContact CD-CE2 3.88Å; K240-F259 HydrophobicContact CD-CG 4.33Å; K240-F259 HydrophobicContact CD-CZ 3.53Å; K240-F259 WeakPolarHBondContact CD-O 3.49Å; K240-F259 WeakPolarHBondContact CE-O 3.39Å; K240-F259 HydrophobicContact CG-CE1 4.21Å; K240-F259 HydrophobicContact CG-CZ 4.46Å; K240-F259 PolarHBondContact NZ-O 2.94Å; K240-F260 HydrophobicContact CB-CD1 3.86Å; K240-F260 HydrophobicContact CB-CE1 3.81Å; K240-F260 HydrophobicContact CG-CD1 4.28Å; K240-N263 PolarHBondContact O-ND2 2.87Å
241	K	96.1	Very high	97.2	Very high	154 Å²	154	32.3 Å²	32.3	67%	0.67	17%	0.173	S	C	*	.	H	α-helix	trans	-62.3	-26.7	179.5	-75.9	179.9	175.8	178.6	0	113.6	H237 Q238 L239 G243	H237-K241 WeakPolarHBondContact NE2-CE 3.27Å; H237-K241 WeakPolarHBondContact O-CG 3.05Å; H237-K241 PolarHBondContact O-N 2.9Å; Q238-K241 PolarHBondContact O-N 3Å; L239-K241 PolarHBondContact O-N 3.46Å; K241-G243 PolarHBondContact O-N 3.24Å
242	S	96.6	Very high	97.2	Very high	52 Å²	52	31.8 Å²	31.8	36%	0.364	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.9	178.5	77.9	0	0	0	0	113.8	Q238 L239 K240 K244	Q238-S242 PolarHBondContact O-N 2.88Å; L239-S242 WeakPolarHBondContact O-CB 3.4Å; L239-S242 PolarHBondContact O-N 2.81Å; L239-S242 PolarHBondContact O-OG 3.22Å; K240-S242 PolarHBondContact O-N 2.98Å; S242-K244 PolarHBondContact O-N 3.31Å; S242-K244 WeakPolarHBondContact OG-CB 3.45Å; S242-K244 WeakPolarHBondContact OG-CD 3.45Å; S242-K244 VanDerWaalsContact OG-CG 3.29Å; S242-K244 WeakPolarHBondContact OG-CG 3.38Å; S242-K244 PolarHBondContact OG-N 3.31Å
243	G	96.2	Very high	97.2	Very high	46 Å²	46	35.5 Å²	35.5	47%	0.474	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	6.1	-177.5	0	0	0	0	0	114.5	K240 K241	K240-G243 PolarHBondContact O-N 3.05Å; K241-G243 PolarHBondContact O-N 3.24Å
244	K	96.3	Very high	97.2	Very high	27 Å²	27	35.6 Å²	35.6	12%	0.117	19%	0.186	C	C	.	.			trans	-66.5	141	-179.4	-69.9	174.4	172.9	-167.7	0	111	L204 E205 S207 L239 S242 V246	L204-K244 PolarHBondContact O-NZ 3.45Å; E205-K244 PolarHBondContact O-NZ 2.89Å; S207-K244 VanDerWaalsContact O-CD 3.23Å; S207-K244 WeakPolarHBondContact O-CD 3.38Å; S207-K244 WeakPolarHBondContact O-CE 3.25Å; S207-K244 PolarHBondContact O-NZ 3.42Å; L239-K244 HydrophobicContact CD1-CB 4.42Å; S242-K244 PolarHBondContact O-N 3.31Å; S242-K244 WeakPolarHBondContact OG-CB 3.45Å; S242-K244 WeakPolarHBondContact OG-CD 3.45Å; S242-K244 VanDerWaalsContact OG-CG 3.29Å; S242-K244 WeakPolarHBondContact OG-CG 3.38Å; S242-K244 PolarHBondContact OG-N 3.31Å; K244-V246 PolarHBondContact O-N 3.24Å
245	P	96.6	Very high	97.1	Very high	65 Å²	65	37.1 Å²	37.1	42%	0.422	19%	0.193	S	C	.	.			trans	-56.4	127.7	174	-25.8	33.4	0	0	0	112.5	Q208 V210	Q208-P245 WeakPolarHBondContact O-CD 3.38Å; V210-P245 PolarHBondContact N-O 3.24Å; V210-P245 VanDerWaalsContact N-O 3.17Å
246	V	98.5	Very high	97.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.7	171.4	179.1	0	0	0	0	108.8	V210 L212 L239 K244 F260 N263 A264 T265	V210-V246 CarbonylContact O-C 3.47Å; V210-V246 VanDerWaalsContact O-CA 3.32Å; V210-V246 WeakPolarHBondContact O-CA 3.4Å; L212-V246 HydrophobicContact CD1-CG1 3.71Å; L212-V246 HydrophobicContact CG-CG1 3.8Å; L239-V246 HydrophobicContact CD2-CG2 4.36Å; L239-V246 HydrophobicContact CG-CG2 4.45Å; K244-V246 PolarHBondContact O-N 3.24Å; V246-F260 HydrophobicContact CB-CG 4.49Å; V246-F260 HydrophobicContact CG1-CD2 4.26Å; V246-F260 HydrophobicContact CG1-CE2 4.34Å; V246-F260 HydrophobicContact CG2-CD1 3.88Å; V246-F260 HydrophobicContact CG2-CE1 3.78Å; V246-F260 HydrophobicContact CG2-CG 4.3Å; V246-F260 HydrophobicContact CG2-CZ 4.12Å; V246-N263 PolarHBondContact N-O 3.49Å; V246-A264 HydrophobicContact CB-CB 4.41Å; V246-A264 CarbonylContact O-C 3.58Å; V246-A264 VanDerWaalsContact O-CA 3.23Å; V246-A264 WeakPolarHBondContact O-CA 3.42Å; V246-T265 PolarHBondContact O-N 3.1Å
247	I	98.6	Very high	97.1	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	171.1	-55.1	-56.4	0	0	0	107.5	V209 V210 V211 L212 I249 I267 L338 L341	V209-I247 HydrophobicContact CG1-CG1 4.2Å; V210-I247 PolarHBondContact O-N 3.34Å; V211-I247 CarbonylContact C-O 3.4Å; V211-I247 WeakPolarHBondContact CA-O 3.35Å; V211-I247 HydrophobicContact CG1-CB 4.34Å; V211-I247 HydrophobicContact CG1-CG2 4.46Å; V211-I247 HydrophobicContact CG2-CB 4.3Å; L212-I247 PolarHBondContact N-O 2.82Å; I247-I249 HydrophobicContact CG2-CG1 4.14Å; I247-I267 HydrophobicContact CG2-CD1 3.88Å; I247-L338 HydrophobicContact CG1-CD2 4.31Å; I247-L338 HydrophobicContact CG2-CD2 3.65Å; I247-L341 HydrophobicContact CD1-CD2 3.96Å; I247-L341 HydrophobicContact CG1-CD2 4.06Å
248	A	98.5	Very high	97.2	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.2	178.5	0	0	0	0	0	110.6	L212 I257 T265 W266 I267	L212-A248 WeakPolarHBondContact O-CA 3.08Å; A248-I257 HydrophobicContact CB-CD1 3.52Å; A248-I257 HydrophobicContact CB-CG1 3.51Å; A248-I257 HydrophobicContact CB-CG2 4.46Å; A248-T265 PolarHBondContact N-O 3.29Å; A248-W266 WeakPolarHBondContact O-CA 3.46Å; A248-I267 PolarHBondContact O-N 3.44Å
249	I	98.8	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	101.7	179.8	-57.4	172.4	0	0	0	108	V211 L212 W213 G214 I247 I267 P269 L277	V211-I249 HydrophobicContact CG1-CD1 4.04Å; L212-I249 PolarHBondContact O-N 2.78Å; W213-I249 HydrophobicContact CD2-CB 4.36Å; W213-I249 HydrophobicContact CD2-CD1 3.79Å; W213-I249 HydrophobicContact CD2-CG2 4.49Å; W213-I249 HydrophobicContact CE3-CD1 3.75Å; W213-I249 HydrophobicContact CG-CB 4.25Å; W213-I249 HydrophobicContact CG-CD1 4.48Å; W213-I249 HydrophobicContact CH2-CD1 3.86Å; W213-I249 HydrophobicContact CZ2-CD1 3.92Å; W213-I249 HydrophobicContact CZ2-CG2 4.35Å; W213-I249 HydrophobicContact CZ3-CD1 3.79Å; G214-I249 PolarHBondContact N-O 3.03Å; I247-I249 HydrophobicContact CG2-CG1 4.14Å; I249-I267 WeakPolarHBondContact CA-O 3.23Å; I249-I267 HydrophobicContact CG1-CB 4.38Å; I249-P269 HydrophobicContact CG2-CG 3.98Å; I249-L277 HydrophobicContact CD1-CD2 4.23Å; I249-L277 HydrophobicContact CG2-CD2 3.78Å
250	D	98.2	Very high	97.2	Very high	18 Å²	18	38.4 Å²	38.4	10%	0.096	20%	0.2	C	C	.	.			trans	-160.3	138.4	-175.3	-158.4	-61.7	0	0	0	110.1	I252 I257 W266 I267 A268	D250-I252 PolarHBondContact O-N 3.48Å; D250-I252 WeakPolarHBondContact OD1-CG2 3.48Å; D250-I252 PolarHBondContact OD1-N 2.92Å; D250-I257 HydrophobicContact CB-CD1 4.33Å; D250-W266 PolarHBondContact O-NE1 3.14Å; D250-I267 PolarHBondContact N-O 3.12Å; D250-A268 WeakPolarHBondContact O-CA 3.1Å
251	P	97.8	Very high	97.1	Very high	16 Å²	16	36.7 Å²	36.7	10%	0.104	20%	0.203	C	C	.	.	S	Bend	trans	-63.8	-17.5	175	27.1	-38.3	0	0	0	114.2	M271 L673 K740	P251-M271 HydrophobicContact CB-CG 4.08Å; P251-M271 HydrophobicContact CG-CG 4.03Å; P251-L673 HydrophobicContact CG-CD2 4.17Å; P251-K740 HydrophobicContact CB-CB 4.43Å; P251-K740 WeakPolarHBondContact O-CB 3.41Å; P251-K740 PolarHBondContact O-N 3.39Å
252	I	97.2	Very high	97	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.128	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-117.4	138	176.5	-169.3	171.6	0	0	0	111.1	D250 S254 L673 G738 I739 C745	D250-I252 PolarHBondContact O-N 3.48Å; D250-I252 WeakPolarHBondContact OD1-CG2 3.48Å; D250-I252 PolarHBondContact OD1-N 2.92Å; I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 3.46Å; I252-L673 HydrophobicContact CB-CD2 4.28Å; I252-L673 HydrophobicContact CG2-CD2 3.87Å; I252-G738 VanDerWaalsContact CG1-O 3.3Å; I252-G738 WeakPolarHBondContact CG1-O 3.46Å; I252-I739 HydrophobicContact CB-CG1 4.35Å; I252-I739 HydrophobicContact CD1-CD1 4.41Å; I252-I739 HydrophobicContact CG1-CB 4.33Å; I252-I739 HydrophobicContact CG1-CG1 4.35Å; I252-C745 HydrophobicContact CD1-CB 4.23Å
253	R	97.7	Very high	96.9	Very high	78 Å²	78	37.5 Å²	37.5	29%	0.294	21%	0.21	S	C	.	.			trans	-76.6	83.8	170.2	-170.6	173.7	60.5	-154	-12.3	108.6	I257 E258 W266 D737 G738	R253-I257 HydrophobicContact CG-CB 4.12Å; R253-I257 HydrophobicContact CG-CG2 3.85Å; R253-E258 HydrophobicContact CG-CG 4.32Å; R253-W266 HydrophobicContact CB-CD2 3.81Å; R253-W266 HydrophobicContact CB-CE3 3.83Å; R253-W266 HydrophobicContact CB-CH2 3.94Å; R253-W266 HydrophobicContact CB-CZ2 3.91Å; R253-W266 HydrophobicContact CB-CZ3 3.89Å; R253-W266 HydrophobicContact CG-CD2 4.18Å; R253-W266 HydrophobicContact CG-CE3 4.15Å; R253-D737 IonicContact CZ-OD1 3.76Å; R253-D737 IonicContact NH2-OD1 2.73Å; R253-D737 PolarHBondContact NH2-OD1 2.58Å; R253-G738 PolarHBondContact N-O 3.33Å
254	S	96	Very high	97	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.042	20%	0.195	C	C	.	.			trans	-69.9	168.6	-175.5	66.8	0	0	0	0	113.8	I252 T256 I257 E258	I252-S254 VanDerWaalsContact C-N 3.3Å; I252-S254 PolarHBondContact O-N 3.46Å; S254-T256 PolarHBondContact O-N 3.49Å; S254-T256 VanDerWaalsContact O-N 3.13Å; S254-I257 WeakPolarHBondContact O-CB 3.31Å; S254-I257 PolarHBondContact O-N 3.06Å; S254-E258 PolarHBondContact O-N 3Å
255	E	94.7	Very high	97	Very high	59 Å²	59	38 Å²	38	28%	0.276	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-24.5	175.1	65.3	-95.5	-132.7	0	0	112.9	N216 L218 N219 F259	N216-E255 PolarHBondContact ND2-OE2 2.95Å; N216-E255 PolarHBondContact OD1-OE2 3.42Å; L218-E255 HydrophobicContact CB-CG 3.86Å; N219-E255 VanDerWaalsContact CB-OE1 3.28Å; N219-E255 WeakPolarHBondContact CB-OE1 3.41Å; E255-F259 WeakPolarHBondContact O-CB 3.46Å; E255-F259 PolarHBondContact O-N 3.5Å
256	T	97.3	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-44.1	171.2	-64.4	0	0	0	0	111	L212 N216 P217 L218 S254 F259 F260	L212-T256 HydrophobicContact CD1-CG2 3.77Å; N216-T256 VanDerWaalsContact C-OG1 3.31Å; N216-T256 WeakPolarHBondContact CA-OG1 3.39Å; N216-T256 WeakPolarHBondContact OD1-CB 3.4Å; N216-T256 PolarHBondContact OD1-N 3.37Å; N216-T256 PolarHBondContact OD1-OG1 2.89Å; P217-T256 VanDerWaalsContact CD-OG1 3.28Å; P217-T256 WeakPolarHBondContact CD-OG1 3.47Å; P217-T256 HydrophobicContact CG-CG2 3.71Å; L218-T256 WeakPolarHBondContact CB-OG1 3.49Å; L218-T256 HydrophobicContact CD2-CG2 3.97Å; L218-T256 PolarHBondContact N-OG1 2.73Å; S254-T256 PolarHBondContact O-N 3.49Å; S254-T256 VanDerWaalsContact O-N 3.13Å; T256-F259 WeakPolarHBondContact O-CB 3.44Å; T256-F259 PolarHBondContact O-N 2.68Å; T256-F260 HydrophobicContact CG2-CD2 4.14Å; T256-F260 HydrophobicContact CG2-CE2 3.91Å; T256-F260 WeakPolarHBondContact O-CD2 3.35Å; T256-F260 PolarHBondContact O-N 3.2Å
257	I	97.8	Very high	97.1	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-69.1	-45.2	-177.7	-59	176.8	0	0	0	109.3	A248 D250 R253 S254 F259 F260 G261 A264 W266	A248-I257 HydrophobicContact CB-CD1 3.52Å; A248-I257 HydrophobicContact CB-CG1 3.51Å; A248-I257 HydrophobicContact CB-CG2 4.46Å; D250-I257 HydrophobicContact CB-CD1 4.33Å; R253-I257 HydrophobicContact CG-CB 4.12Å; R253-I257 HydrophobicContact CG-CG2 3.85Å; S254-I257 WeakPolarHBondContact O-CB 3.31Å; S254-I257 PolarHBondContact O-N 3.06Å; I257-F259 VanDerWaalsContact C-N 3.27Å; I257-F259 PolarHBondContact O-N 3.26Å; I257-F260 PolarHBondContact O-N 3.43Å; I257-G261 PolarHBondContact O-N 3.27Å; I257-A264 HydrophobicContact CG2-CB 4.24Å; I257-W266 HydrophobicContact CD1-CG 4.28Å; I257-W266 HydrophobicContact CG2-CB 4.08Å; I257-W266 HydrophobicContact CG2-CG 4.5Å
258	E	96.6	Very high	97.1	Very high	120 Å²	120	39.3 Å²	39.3	56%	0.561	21%	0.209	S	C	*	.	H	α-helix	trans	-60.1	-38.5	173.8	-64.6	-176.8	158.6	0	0	112	R253 S254 F260 G261	R253-E258 HydrophobicContact CG-CG 4.32Å; S254-E258 PolarHBondContact O-N 3Å; E258-F260 VanDerWaalsContact C-N 3.29Å; E258-F260 PolarHBondContact O-N 2.84Å; E258-G261 PolarHBondContact O-N 2.92Å; E258-G261 VanDerWaalsContact O-N 3.11Å
259	F	96.7	Very high	97.1	Very high	40 Å²	40	39.2 Å²	39.2	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-40.1	176.7	172.4	-101.6	0	0	0	112.2	I67 L218 H237 K240 E255 T256 I257 G261	I67-F259 HydrophobicContact CD1-CE2 4.25Å; I67-F259 HydrophobicContact CD1-CZ 4.28Å; L218-F259 HydrophobicContact CD1-CB 4.49Å; L218-F259 HydrophobicContact CD1-CD1 4.42Å; L218-F259 HydrophobicContact CD1-CD2 4.24Å; L218-F259 HydrophobicContact CD1-CG 4.13Å; L218-F259 HydrophobicContact CD2-CD1 4.06Å; L218-F259 HydrophobicContact CD2-CG 4.36Å; L218-F259 HydrophobicContact CG-CB 4.12Å; L218-F259 HydrophobicContact CG-CD1 4.38Å; L218-F259 HydrophobicContact CG-CG 4.18Å; H237-F259 HydrophobicContact CB-CZ 4.06Å; H237-F259 AromaticContact ND1-CZ 3.64Å; K240-F259 HydrophobicContact CB-CD1 4.42Å; K240-F259 HydrophobicContact CB-CE1 3.66Å; K240-F259 HydrophobicContact CB-CZ 4.11Å; K240-F259 HydrophobicContact CD-CD1 4Å; K240-F259 HydrophobicContact CD-CD2 4.27Å; K240-F259 HydrophobicContact CD-CE1 3.59Å; K240-F259 HydrophobicContact CD-CE2 3.88Å; K240-F259 HydrophobicContact CD-CG 4.33Å; K240-F259 HydrophobicContact CD-CZ 3.53Å; K240-F259 WeakPolarHBondContact CD-O 3.49Å; K240-F259 WeakPolarHBondContact CE-O 3.39Å; K240-F259 HydrophobicContact CG-CE1 4.21Å; K240-F259 HydrophobicContact CG-CZ 4.46Å; K240-F259 PolarHBondContact NZ-O 2.94Å; E255-F259 WeakPolarHBondContact O-CB 3.46Å; E255-F259 PolarHBondContact O-N 3.5Å; T256-F259 WeakPolarHBondContact O-CB 3.44Å; T256-F259 PolarHBondContact O-N 2.68Å; I257-F259 VanDerWaalsContact C-N 3.27Å; I257-F259 PolarHBondContact O-N 3.26Å; F259-G261 VanDerWaalsContact C-N 3.32Å
260	F	97.4	Very high	97	Very high	4 Å²	4	40 Å²	40	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-73.5	-21.7	178	-79.7	-71.9	0	0	0	113.9	L212 F236 L239 K240 V246 T256 I257 E258 D262 N263 A264	L212-F260 HydrophobicContact CD1-CD2 4.48Å; L212-F260 HydrophobicContact CD1-CE2 3.93Å; F236-F260 AromaticContact CD1-CE2 3.97Å; F236-F260 HydrophobicContact CD1-CE2 3.97Å; F236-F260 AromaticContact CD1-CZ 3.78Å; F236-F260 HydrophobicContact CD1-CZ 3.78Å; F236-F260 HydrophobicContact CE1-CE2 4.45Å; F236-F260 HydrophobicContact CE1-CZ 4.43Å; L239-F260 HydrophobicContact CB-CE1 4.28Å; L239-F260 HydrophobicContact CB-CZ 4.42Å; L239-F260 HydrophobicContact CD2-CE1 4.21Å; L239-F260 HydrophobicContact CD2-CZ 3.9Å; L239-F260 HydrophobicContact CG-CE1 3.94Å; L239-F260 HydrophobicContact CG-CZ 4.11Å; K240-F260 HydrophobicContact CB-CD1 3.86Å; K240-F260 HydrophobicContact CB-CE1 3.81Å; K240-F260 HydrophobicContact CG-CD1 4.28Å; V246-F260 HydrophobicContact CB-CG 4.49Å; V246-F260 HydrophobicContact CG1-CD2 4.26Å; V246-F260 HydrophobicContact CG1-CE2 4.34Å; V246-F260 HydrophobicContact CG2-CD1 3.88Å; V246-F260 HydrophobicContact CG2-CE1 3.78Å; V246-F260 HydrophobicContact CG2-CG 4.3Å; V246-F260 HydrophobicContact CG2-CZ 4.12Å; T256-F260 HydrophobicContact CG2-CD2 4.14Å; T256-F260 HydrophobicContact CG2-CE2 3.91Å; T256-F260 WeakPolarHBondContact O-CD2 3.35Å; T256-F260 PolarHBondContact O-N 3.2Å; I257-F260 PolarHBondContact O-N 3.43Å; E258-F260 VanDerWaalsContact C-N 3.29Å; E258-F260 PolarHBondContact O-N 2.84Å; F260-D262 PolarHBondContact O-N 3.4Å; F260-N263 HydrophobicContact CB-CB 4.45Å; F260-N263 WeakPolarHBondContact O-CB 3.19Å; F260-N263 PolarHBondContact O-N 3.49Å; F260-A264 HydrophobicContact CB-CB 3.55Å; F260-A264 HydrophobicContact CG-CB 4.43Å
261	G	95.8	Very high	97	Very high	38 Å²	38	39.4 Å²	39.4	39%	0.392	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	55.9	-133.5	-177.5	0	0	0	0	0	111.3	I257 E258 F259 N263 A264	I257-G261 PolarHBondContact O-N 3.27Å; E258-G261 PolarHBondContact O-N 2.92Å; E258-G261 VanDerWaalsContact O-N 3.11Å; F259-G261 VanDerWaalsContact C-N 3.32Å; G261-N263 PolarHBondContact O-N 2.82Å; G261-A264 PolarHBondContact O-N 3.07Å
262	D	94.5	Very high	96.9	Very high	170 Å²	170	38.8 Å²	38.8	91%	0.909	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-63.6	-15	-176.7	-58.8	-27.2	0	0	0	114.2	F260 A264	F260-D262 PolarHBondContact O-N 3.4Å; D262-A264 PolarHBondContact O-N 3.47Å
263	N	93.9	Very high	97	Very high	53 Å²	53	37.6 Å²	37.6	28%	0.283	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-72	-17.9	174.8	-63.7	-3.5	0	0	0	112.3	K240 V246 F260 G261	K240-N263 PolarHBondContact O-ND2 2.87Å; V246-N263 PolarHBondContact N-O 3.49Å; F260-N263 HydrophobicContact CB-CB 4.45Å; F260-N263 WeakPolarHBondContact O-CB 3.19Å; F260-N263 PolarHBondContact O-N 3.49Å; G261-N263 PolarHBondContact O-N 2.82Å
264	A	97.6	Very high	97	Very high	18 Å²	18	34.4 Å²	34.4	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129	-177.8	0	0	0	0	0	112.9	V246 I257 F260 G261 D262	V246-A264 HydrophobicContact CB-CB 4.41Å; V246-A264 CarbonylContact O-C 3.58Å; V246-A264 VanDerWaalsContact O-CA 3.23Å; V246-A264 WeakPolarHBondContact O-CA 3.42Å; I257-A264 HydrophobicContact CG2-CB 4.24Å; F260-A264 HydrophobicContact CB-CB 3.55Å; F260-A264 HydrophobicContact CG-CB 4.43Å; G261-A264 PolarHBondContact O-N 3.07Å; D262-A264 PolarHBondContact O-N 3.47Å
265	T	97.7	Very high	97.1	Very high	66 Å²	66	34.1 Å²	34.1	41%	0.405	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.2	163.4	-58.6	0	0	0	0	109.4	V246 A248 I267	V246-T265 PolarHBondContact O-N 3.1Å; A248-T265 PolarHBondContact N-O 3.29Å; T265-I267 HydrophobicContact CG2-CG1 4.21Å
266	W	98	Very high	97.3	Very high	72 Å²	72	31.3 Å²	31.3	27%	0.273	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.6	175.2	179.5	36.5	0	0	0	111.4	A248 D250 R253 I257 A268	A248-W266 WeakPolarHBondContact O-CA 3.46Å; D250-W266 PolarHBondContact O-NE1 3.14Å; R253-W266 HydrophobicContact CB-CD2 3.81Å; R253-W266 HydrophobicContact CB-CE3 3.83Å; R253-W266 HydrophobicContact CB-CH2 3.94Å; R253-W266 HydrophobicContact CB-CZ2 3.91Å; R253-W266 HydrophobicContact CB-CZ3 3.89Å; R253-W266 HydrophobicContact CG-CD2 4.18Å; R253-W266 HydrophobicContact CG-CE3 4.15Å; I257-W266 HydrophobicContact CD1-CG 4.28Å; I257-W266 HydrophobicContact CG2-CB 4.08Å; I257-W266 HydrophobicContact CG2-CG 4.5Å; W266-A268 HydrophobicContact CZ2-CB 3.74Å
267	I	98.4	Very high	97.4	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.7	176.3	-58.9	174.3	0	0	0	107.7	I247 A248 I249 D250 T265 P269 V330 Q334 L338	I247-I267 HydrophobicContact CG2-CD1 3.88Å; A248-I267 PolarHBondContact O-N 3.44Å; I249-I267 WeakPolarHBondContact CA-O 3.23Å; I249-I267 HydrophobicContact CG1-CB 4.38Å; D250-I267 PolarHBondContact N-O 3.12Å; T265-I267 HydrophobicContact CG2-CG1 4.21Å; I267-P269 VanDerWaalsContact O-CD 3.22Å; I267-P269 WeakPolarHBondContact O-CD 3.47Å; I267-V330 HydrophobicContact CG2-CB 4.48Å; I267-V330 HydrophobicContact CG2-CG1 3.75Å; I267-V330 HydrophobicContact CG2-CG2 3.82Å; I267-Q334 HydrophobicContact CD1-CG 3.9Å; I267-Q334 VanDerWaalsContact CD1-NE2 3.25Å; I267-Q334 HydrophobicContact CG1-CG 4.28Å; I267-L338 HydrophobicContact CD1-CD1 3.63Å; I267-L338 HydrophobicContact CD1-CD2 3.66Å; I267-L338 HydrophobicContact CD1-CG 3.89Å
268	A	98.2	Very high	97.5	Very high	20 Å²	20	30.9 Å²	30.9	17%	0.165	17%	0.171	C	C	.	.			trans	-108.7	98.5	-174.8	0	0	0	0	0	110.7	D250 W266 K740	D250-A268 WeakPolarHBondContact O-CA 3.1Å; W266-A268 HydrophobicContact CZ2-CB 3.74Å; A268-K740 HydrophobicContact CB-CB 4.23Å; A268-K740 HydrophobicContact CB-CD 3.66Å; A268-K740 WeakPolarHBondContact O-CD 2.96Å; A268-K740 WeakPolarHBondContact O-CE 3.31Å
269	P	98.3	Very high	97.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-76.7	161	169.7	32.7	-34.6	0	0	0	111.2	I249 I267 T328 V330	I249-P269 HydrophobicContact CG2-CG 3.98Å; I267-P269 VanDerWaalsContact O-CD 3.22Å; I267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-T328 CarbonylContact C-O 3.59Å; P269-T328 WeakPolarHBondContact CA-O 3.49Å; P269-V330 HydrophobicContact CB-CG2 3.97Å
270	N	97.8	Very high	97.7	Very high	18 Å²	18	23.2 Å²	23.2	10%	0.096	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-57.7	142.6	163.7	-65.8	-31.7	0	0	0	109.3	G272 T273 I327 T328 K662	N270-G272 PolarHBondContact O-N 2.82Å; N270-T273 HydrophobicContact CB-CG2 3.83Å; N270-T273 WeakPolarHBondContact O-CB 3.24Å; N270-T273 PolarHBondContact O-N 3.32Å; N270-T273 PolarHBondContact O-OG1 3.39Å; N270-I327 PolarHBondContact ND2-O 2.85Å; N270-T328 PolarHBondContact N-O 2.76Å; N270-T328 PolarHBondContact ND2-O 3.28Å; N270-K662 HydrophobicContact CB-CB 4.26Å
271	M	97	Very high	97.8	Very high	5 Å²	5	23 Å²	23	3%	0.025	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	140.5	-177.3	-66.9	176.8	56.8	0	0	111.6	P251 T273 Q671 L672 L673 V743 N783	P251-M271 HydrophobicContact CB-CG 4.08Å; P251-M271 HydrophobicContact CG-CG 4.03Å; M271-T273 VanDerWaalsContact C-N 3.3Å; M271-Q671 PolarHBondContact O-NE2 2.86Å; M271-Q671 VanDerWaalsContact O-NE2 3.09Å; M271-Q671 HydrophobicContact SD-CB 3.92Å; M271-L672 WeakPolarHBondContact CE-O 3.39Å; M271-L673 HydrophobicContact CE-CB 3.94Å; M271-L673 HydrophobicContact CE-CD1 3.84Å; M271-L673 HydrophobicContact SD-CB 3.78Å; M271-L673 HydrophobicContact SD-CD1 4.44Å; M271-V743 HydrophobicContact CG-CG1 4.14Å; M271-V743 HydrophobicContact CG-CG2 4.24Å; M271-V743 HydrophobicContact SD-CG1 3.53Å; M271-V743 VanDerWaalsContact SD-CG1 3.53Å; M271-V743 HydrophobicContact SD-CG2 4.45Å; M271-N783 WeakPolarHBondContact CE-O 3.48Å
272	G	96.2	Very high	97.9	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.031	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-5.2	179.6	0	0	0	0	0	114.5	N270 K364 W655	N270-G272 PolarHBondContact O-N 2.82Å; G272-K364 PolarHBondContact O-NZ 2.78Å; G272-W655 VanDerWaalsContact O-CZ3 3.26Å; G272-W655 WeakPolarHBondContact O-CZ3 3.21Å
273	T	98.3	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.			trans	-97.2	7.1	-170.2	69.6	0	0	0	0	115.2	N270 M271 V275 A276 L277 I327 T328 W655 W661	N270-T273 HydrophobicContact CB-CG2 3.83Å; N270-T273 WeakPolarHBondContact O-CB 3.24Å; N270-T273 PolarHBondContact O-N 3.32Å; N270-T273 PolarHBondContact O-OG1 3.39Å; M271-T273 VanDerWaalsContact C-N 3.3Å; T273-V275 VanDerWaalsContact C-N 3.28Å; T273-V275 PolarHBondContact O-N 2.67Å; T273-V275 VanDerWaalsContact O-N 3.16Å; T273-A276 WeakPolarHBondContact O-CB 3.22Å; T273-A276 PolarHBondContact O-N 2.9Å; T273-L277 PolarHBondContact O-N 3.09Å; T273-I327 HydrophobicContact CG2-CG2 3.8Å; T273-T328 WeakPolarHBondContact OG1-CA 3.41Å; T273-W655 HydrophobicContact CG2-CH2 3.93Å; T273-W661 HydrophobicContact CG2-CE3 4.03Å; T273-W661 HydrophobicContact CG2-CZ3 4.2Å
274	D	98.7	Very high	98.3	Very high	10 Å²	10	12.2 Å²	12.2	5%	0.053	7%	0.068	C	C	.	.	H	α-helix	trans	-54.4	-38.8	-175	-59.2	-95.9	0	0	0	114.2	W213 A276 L277 M278	W213-D274 PolarHBondContact NE1-OD1 3.49Å; D274-A276 VanDerWaalsContact C-N 3.33Å; D274-A276 PolarHBondContact O-N 3.04Å; D274-L277 WeakPolarHBondContact O-CB 3.34Å; D274-L277 PolarHBondContact O-N 3.41Å; D274-M278 HydrophobicContact CB-CE 4.37Å; D274-M278 WeakPolarHBondContact O-CG 3.31Å; D274-M278 PolarHBondContact O-N 3.11Å
275	V	98.9	Very high	98.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-37.9	177.7	168.1	0	0	0	0	111.2	T273 L277 M278 L279 Q363 K364 M367 W655	T273-V275 VanDerWaalsContact C-N 3.28Å; T273-V275 PolarHBondContact O-N 2.67Å; T273-V275 VanDerWaalsContact O-N 3.16Å; V275-L277 VanDerWaalsContact C-N 3.34Å; V275-M278 PolarHBondContact O-N 3.34Å; V275-L279 HydrophobicContact CG1-CD1 3.79Å; V275-L279 HydrophobicContact CG1-CG 4.28Å; V275-L279 WeakPolarHBondContact O-CB 3.39Å; V275-L279 VanDerWaalsContact O-CG 3.22Å; V275-L279 WeakPolarHBondContact O-CG 3.4Å; V275-L279 PolarHBondContact O-N 3.28Å; V275-Q363 HydrophobicContact CG2-CB 3.92Å; V275-Q363 WeakPolarHBondContact CG2-O 3.3Å; V275-K364 HydrophobicContact CG2-CD 3.5Å; V275-K364 VanDerWaalsContact CG2-CD 3.5Å; V275-M367 HydrophobicContact CG1-CB 4.44Å; V275-M367 HydrophobicContact CG1-CG 4.33Å; V275-M367 HydrophobicContact CG2-CB 4.16Å; V275-W655 HydrophobicContact CB-CE3 4.13Å; V275-W655 HydrophobicContact CG1-CB 4.28Å; V275-W655 HydrophobicContact CG1-CE3 4.42Å
276	A	98.8	Very high	98.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.9	-40.4	174.7	0	0	0	0	0	111.2	T273 D274 L279 G280 W323 A324 I327 T328 W655	T273-A276 WeakPolarHBondContact O-CB 3.22Å; T273-A276 PolarHBondContact O-N 2.9Å; D274-A276 VanDerWaalsContact C-N 3.33Å; D274-A276 PolarHBondContact O-N 3.04Å; A276-L279 PolarHBondContact O-N 3.33Å; A276-G280 PolarHBondContact O-N 3.01Å; A276-W323 HydrophobicContact CB-CH2 3.59Å; A276-W323 HydrophobicContact CB-CZ2 4.39Å; A276-W323 HydrophobicContact CB-CZ3 3.85Å; A276-W323 WeakPolarHBondContact O-CZ3 3.44Å; A276-A324 VanDerWaalsContact O-CB 3.26Å; A276-A324 WeakPolarHBondContact O-CB 3.31Å; A276-I327 HydrophobicContact CB-CB 4.14Å; A276-I327 HydrophobicContact CB-CD1 4.21Å; A276-I327 HydrophobicContact CB-CG2 3.77Å; A276-T328 HydrophobicContact CB-CG2 3.94Å; A276-W655 HydrophobicContact CB-CD2 4.06Å; A276-W655 HydrophobicContact CB-CE3 3.91Å; A276-W655 HydrophobicContact CB-CZ3 4.3Å
277	L	98.9	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61	-48.6	174	179.8	57	0	0	0	111.7	W213 I249 T273 D274 V275 L279 G280 I281 T328 I335	W213-L277 HydrophobicContact CH2-CD2 4.35Å; W213-L277 HydrophobicContact CH2-CG 4.3Å; W213-L277 HydrophobicContact CZ2-CB 4.37Å; W213-L277 HydrophobicContact CZ2-CD2 3.85Å; W213-L277 HydrophobicContact CZ2-CG 4.08Å; I249-L277 HydrophobicContact CD1-CD2 4.23Å; I249-L277 HydrophobicContact CG2-CD2 3.78Å; T273-L277 PolarHBondContact O-N 3.09Å; D274-L277 WeakPolarHBondContact O-CB 3.34Å; D274-L277 PolarHBondContact O-N 3.41Å; V275-L277 VanDerWaalsContact C-N 3.34Å; L277-L279 VanDerWaalsContact C-N 3.33Å; L277-L279 PolarHBondContact O-N 2.72Å; L277-G280 PolarHBondContact O-N 3.38Å; L277-I281 HydrophobicContact CD1-CD1 4.37Å; L277-I281 HydrophobicContact CG-CD1 4.29Å; L277-I281 WeakPolarHBondContact O-CG1 3.35Å; L277-I281 PolarHBondContact O-N 2.85Å; L277-T328 HydrophobicContact CB-CG2 3.85Å; L277-I335 HydrophobicContact CD1-CD1 3.98Å; L277-I335 HydrophobicContact CD1-CG1 3.71Å; L277-I335 HydrophobicContact CD1-CG2 4.35Å
278	M	98.9	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.7	-39.9	177.7	-67.5	172.1	-167.5	0	0	112.3	W213 D274 V275 I281 A282 M367 L368 L371	W213-M278 HydrophobicContact CD2-CE 3.72Å; W213-M278 HydrophobicContact CE3-CE 4.05Å; W213-M278 HydrophobicContact CG-CE 4.38Å; W213-M278 HydrophobicContact CH2-CB 4.31Å; W213-M278 HydrophobicContact CH2-CE 3.84Å; W213-M278 HydrophobicContact CH2-CG 3.2Å; W213-M278 HydrophobicContact CH2-SD 4.36Å; W213-M278 HydrophobicContact CZ2-CE 3.45Å; W213-M278 VanDerWaalsContact CZ2-CE 3.45Å; W213-M278 HydrophobicContact CZ2-CG 3.45Å; W213-M278 VanDerWaalsContact CZ2-CG 3.45Å; W213-M278 HydrophobicContact CZ2-SD 4.33Å; W213-M278 HydrophobicContact CZ3-CE 4.11Å; W213-M278 HydrophobicContact CZ3-CG 3.94Å; D274-M278 HydrophobicContact CB-CE 4.37Å; D274-M278 WeakPolarHBondContact O-CG 3.31Å; D274-M278 PolarHBondContact O-N 3.11Å; V275-M278 PolarHBondContact O-N 3.34Å; M278-I281 PolarHBondContact O-N 3.21Å; M278-A282 VanDerWaalsContact O-CB 3.29Å; M278-A282 WeakPolarHBondContact O-CB 3.46Å; M278-A282 PolarHBondContact O-N 3.16Å; M278-M367 HydrophobicContact CB-CE 4.1Å; M278-M367 HydrophobicContact CB-CG 3.5Å; M278-M367 VanDerWaalsContact CB-CG 3.5Å; M278-M367 HydrophobicContact CG-CG 4.27Å; M278-M367 HydrophobicContact SD-CB 3.84Å; M278-M367 HydrophobicContact SD-CG 3.82Å; M278-L368 HydrophobicContact CE-CB 3.91Å; M278-L368 HydrophobicContact CE-CD1 3.98Å; M278-L368 HydrophobicContact CE-CG 4.22Å; M278-L368 HydrophobicContact SD-CB 3.92Å; M278-L371 HydrophobicContact CB-CD2 4.43Å; M278-L371 HydrophobicContact CG-CD2 4.29Å
279	L	98.9	Very high	98.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-41.1	176	-75.5	168.5	0	0	0	111.7	V275 A276 L277 I281 A282 H283 F306 Y309 L310 K319 W323 M367 W655	V275-L279 HydrophobicContact CG1-CD1 3.79Å; V275-L279 HydrophobicContact CG1-CG 4.28Å; V275-L279 WeakPolarHBondContact O-CB 3.39Å; V275-L279 VanDerWaalsContact O-CG 3.22Å; V275-L279 WeakPolarHBondContact O-CG 3.4Å; V275-L279 PolarHBondContact O-N 3.28Å; A276-L279 PolarHBondContact O-N 3.33Å; L277-L279 VanDerWaalsContact C-N 3.33Å; L277-L279 PolarHBondContact O-N 2.72Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.31Å; L279-A282 PolarHBondContact O-N 3.22Å; L279-H283 WeakPolarHBondContact O-CB 3.47Å; L279-H283 PolarHBondContact O-N 3.47Å; L279-F306 HydrophobicContact CD2-CE2 3.85Å; L279-F306 HydrophobicContact CD2-CZ 3.73Å; L279-Y309 HydrophobicContact CD1-CE1 3.89Å; L279-Y309 WeakPolarHBondContact CD1-OH 3.28Å; L279-Y309 HydrophobicContact CD2-CD1 4.42Å; L279-Y309 HydrophobicContact CD2-CE1 3.8Å; L279-L310 HydrophobicContact CD2-CD1 3.83Å; L279-K319 HydrophobicContact CB-CB 4.04Å; L279-K319 HydrophobicContact CD1-CG 4.47Å; L279-W323 HydrophobicContact CB-CH2 4.29Å; L279-W323 HydrophobicContact CB-CZ3 3.82Å; L279-W323 HydrophobicContact CD1-CH2 3.9Å; L279-W323 HydrophobicContact CD1-CZ3 4.28Å; L279-M367 HydrophobicContact CD2-CE 3.93Å; L279-M367 HydrophobicContact CD2-SD 3.7Å; L279-M367 HydrophobicContact CG-CE 4.32Å; L279-M367 HydrophobicContact CG-SD 4.07Å; L279-W655 HydrophobicContact CD1-CB 3.89Å
280	G	98.9	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-40.8	173.3	0	0	0	0	0	113	A276 L277 T284 K319	A276-G280 PolarHBondContact O-N 3.01Å; L277-G280 PolarHBondContact O-N 3.38Å; G280-T284 PolarHBondContact O-N 2.94Å; G280-T284 VanDerWaalsContact O-N 3.14Å; G280-T284 PolarHBondContact O-OG1 2.83Å; G280-K319 WeakPolarHBondContact CA-O 3.45Å
281	I	98.9	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.9	-50	173.8	-65	169.5	0	0	0	110.3	W213 L277 M278 L279 H283 T284 L285 I335 L338 A339 M342 L371	W213-I281 HydrophobicContact CH2-CD1 4.09Å; L277-I281 HydrophobicContact CD1-CD1 4.37Å; L277-I281 HydrophobicContact CG-CD1 4.29Å; L277-I281 WeakPolarHBondContact O-CG1 3.35Å; L277-I281 PolarHBondContact O-N 2.85Å; M278-I281 PolarHBondContact O-N 3.21Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.31Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.17Å; I281-T284 PolarHBondContact O-N 2.89Å; I281-L285 HydrophobicContact CG2-CD1 4.33Å; I281-L285 HydrophobicContact CG2-CG 4.49Å; I281-L285 WeakPolarHBondContact O-CG 3.45Å; I281-L285 PolarHBondContact O-N 3.36Å; I281-I335 HydrophobicContact CG1-CG2 3.96Å; I281-L338 HydrophobicContact CD1-CB 4.21Å; I281-L338 HydrophobicContact CD1-CD1 4.09Å; I281-L338 HydrophobicContact CG1-CB 4.41Å; I281-A339 HydrophobicContact CG2-CB 3.86Å; I281-M342 HydrophobicContact CD1-CE 4.37Å; I281-L371 HydrophobicContact CB-CD1 4.37Å; I281-L371 HydrophobicContact CG2-CD1 3.68Å; I281-L371 HydrophobicContact CG2-CD2 4.26Å
282	A	98.9	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-45.1	179.1	0	0	0	0	0	112	M278 L279 T284 L285 M286 L310 M367 M374	M278-A282 VanDerWaalsContact O-CB 3.29Å; M278-A282 WeakPolarHBondContact O-CB 3.46Å; M278-A282 PolarHBondContact O-N 3.16Å; L279-A282 PolarHBondContact O-N 3.22Å; A282-T284 VanDerWaalsContact C-N 3.34Å; A282-T284 PolarHBondContact O-N 3.39Å; A282-L285 PolarHBondContact O-N 3.41Å; A282-M286 WeakPolarHBondContact O-CB 3.42Å; A282-M286 PolarHBondContact O-N 2.98Å; A282-L310 HydrophobicContact CB-CD1 4.04Å; A282-L310 HydrophobicContact CB-CD2 4.26Å; A282-M367 HydrophobicContact CB-CE 3.78Å; A282-M374 HydrophobicContact CB-CE 3.98Å; A282-M374 HydrophobicContact CB-SD 3.55Å; A282-M374 VanDerWaalsContact CB-SD 3.55Å; A282-M374 VanDerWaalsContact O-CE 3.29Å; A282-M374 WeakPolarHBondContact O-CE 3.2Å
283	H	98.9	Very high	98.6	Very high	26 Å²	26	27.1 Å²	27.1	12%	0.12	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-43.3	177	-177.8	-80.3	0	0	0	111.2	L279 I281 M286 T287 L310 K319	L279-H283 WeakPolarHBondContact O-CB 3.47Å; L279-H283 PolarHBondContact O-N 3.47Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.17Å; H283-M286 WeakPolarHBondContact O-CB 3.44Å; H283-M286 PolarHBondContact O-N 3.24Å; H283-T287 WeakPolarHBondContact CE1-CG2 3.14Å; H283-T287 WeakPolarHBondContact O-CG2 3.39Å; H283-T287 PolarHBondContact O-N 2.93Å; H283-T287 PolarHBondContact O-OG1 3.18Å; H283-L310 HydrophobicContact CB-CD1 3.97Å; H283-L310 HydrophobicContact CB-CG 4.09Å; H283-L310 PolarHBondContact CD2-O 3.27Å; H283-K319 WeakPolarHBondContact CB-O 3.32Å
284	T	98.8	Very high	98.6	Very high	7 Å²	7	32 Å²	32	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-42.9	175.8	-61.3	0	0	0	0	112.4	G280 I281 A282 M286 T287 Q288 V336 A339	G280-T284 PolarHBondContact O-N 2.94Å; G280-T284 VanDerWaalsContact O-N 3.14Å; G280-T284 PolarHBondContact O-OG1 2.83Å; I281-T284 PolarHBondContact O-N 2.89Å; A282-T284 VanDerWaalsContact C-N 3.34Å; A282-T284 PolarHBondContact O-N 3.39Å; T284-M286 PolarHBondContact O-N 3.2Å; T284-T287 PolarHBondContact O-N 2.82Å; T284-T287 PolarHBondContact O-OG1 2.67Å; T284-Q288 HydrophobicContact CG2-CG 4.24Å; T284-Q288 WeakPolarHBondContact O-CB 3.25Å; T284-Q288 WeakPolarHBondContact O-CG 3.38Å; T284-Q288 PolarHBondContact O-N 3.43Å; T284-V336 HydrophobicContact CG2-CB 4.47Å; T284-V336 HydrophobicContact CG2-CG1 4.2Å; T284-V336 HydrophobicContact CG2-CG2 4.31Å; T284-A339 HydrophobicContact CG2-CB 3.69Å
285	L	98.8	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-39.4	173.4	-67.6	175.7	0	0	0	111.6	I281 A282 G289 K290 H291 A339 A343 L371 M374 L375	I281-L285 HydrophobicContact CG2-CD1 4.33Å; I281-L285 HydrophobicContact CG2-CG 4.49Å; I281-L285 WeakPolarHBondContact O-CG 3.45Å; I281-L285 PolarHBondContact O-N 3.36Å; A282-L285 PolarHBondContact O-N 3.41Å; L285-G289 PolarHBondContact O-N 2.67Å; L285-K290 HydrophobicContact CD2-CB 4.06Å; L285-K290 PolarHBondContact O-N 2.84Å; L285-H291 HydrophobicContact CB-CB 4.38Å; L285-H291 PolarHBondContact O-N 3.13Å; L285-H291 PolarHBondContact O-ND1 3.32Å; L285-H291 VanDerWaalsContact O-ND1 3.16Å; L285-A339 HydrophobicContact CD2-CB 4.06Å; L285-A339 WeakPolarHBondContact CD2-O 3.43Å; L285-A339 HydrophobicContact CG-CB 4.17Å; L285-A343 HydrophobicContact CD2-CB 3.7Å; L285-L371 HydrophobicContact CD1-CD1 3.73Å; L285-M374 HydrophobicContact CD1-CB 4.47Å; L285-L375 HydrophobicContact CD1-CD2 3.84Å; L285-L375 HydrophobicContact CD1-CG 4.25Å; L285-L375 HydrophobicContact CD2-CD2 4.26Å
286	M	98.5	Very high	98.6	Very high	23 Å²	23	31.9 Å²	31.9	11%	0.113	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-56.4	177.6	-177.7	-160.5	66.3	0	0	112	A282 H283 T284 Q288 G289 H291 E307 L310 T311 M374	A282-M286 WeakPolarHBondContact O-CB 3.42Å; A282-M286 PolarHBondContact O-N 2.98Å; H283-M286 WeakPolarHBondContact O-CB 3.44Å; H283-M286 PolarHBondContact O-N 3.24Å; T284-M286 PolarHBondContact O-N 3.2Å; M286-Q288 VanDerWaalsContact C-N 3.31Å; M286-Q288 PolarHBondContact O-N 2.95Å; M286-G289 PolarHBondContact O-N 3.37Å; M286-H291 VanDerWaalsContact CA-ND1 3.32Å; M286-H291 WeakPolarHBondContact CA-ND1 3.45Å; M286-E307 HydrophobicContact SD-CG 3.57Å; M286-E307 VanDerWaalsContact SD-CG 3.57Å; M286-L310 HydrophobicContact CB-CD2 4.08Å; M286-L310 HydrophobicContact CE-CD2 4.41Å; M286-L310 HydrophobicContact SD-CD2 3.81Å; M286-L310 HydrophobicContact SD-CG 4.4Å; M286-T311 HydrophobicContact CE-CG2 3.48Å; M286-T311 VanDerWaalsContact CE-CG2 3.48Å; M286-T311 HydrophobicContact SD-CG2 3.63Å; M286-M374 HydrophobicContact CB-CE 4.29Å
287	T	98.2	Very high	98.6	Very high	87 Å²	87	39.6 Å²	39.6	53%	0.534	21%	0.211	S	C	.	.	H	α-helix	trans	-68.1	-28.8	-174.9	56.2	0	0	0	0	113.5	H283 T284 G289	H283-T287 WeakPolarHBondContact CE1-CG2 3.14Å; H283-T287 WeakPolarHBondContact O-CG2 3.39Å; H283-T287 PolarHBondContact O-N 2.93Å; H283-T287 PolarHBondContact O-OG1 3.18Å; T284-T287 PolarHBondContact O-N 2.82Å; T284-T287 PolarHBondContact O-OG1 2.67Å; T287-G289 VanDerWaalsContact C-N 3.31Å
288	Q	98.3	Very high	98.5	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.1	173.6	-63.3	-170.4	-3	0	0	113.6	T284 M286 K290 E340	T284-Q288 HydrophobicContact CG2-CG 4.24Å; T284-Q288 WeakPolarHBondContact O-CB 3.25Å; T284-Q288 WeakPolarHBondContact O-CG 3.38Å; T284-Q288 PolarHBondContact O-N 3.43Å; M286-Q288 VanDerWaalsContact C-N 3.31Å; M286-Q288 PolarHBondContact O-N 2.95Å; Q288-K290 VanDerWaalsContact C-N 3.27Å; Q288-K290 HydrophobicContact CB-CD 4.18Å; Q288-K290 HydrophobicContact CB-CG 4.13Å; Q288-K290 PolarHBondContact O-N 2.85Å; Q288-K290 VanDerWaalsContact OE1-CE 3.24Å; Q288-E340 PolarHBondContact NE2-OE1 2.62Å; Q288-E340 PolarHBondContact OE1-OE1 2.94Å
289	G	98	Very high	98.5	Very high	52 Å²	52	45.2 Å²	45.2	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	25.2	-178.8	0	0	0	0	0	114.5	L285 M286 T287	L285-G289 PolarHBondContact O-N 2.67Å; M286-G289 PolarHBondContact O-N 3.37Å; T287-G289 VanDerWaalsContact C-N 3.31Å
290	K	98.3	Very high	98.5	Very high	85 Å²	85	45.6 Å²	45.6	37%	0.37	24%	0.237	S	C	.	.			trans	-96.7	-3.1	-176.3	-72.1	-178.1	179	166.3	0	114.7	L285 Q288 E340 A343	L285-K290 HydrophobicContact CD2-CB 4.06Å; L285-K290 PolarHBondContact O-N 2.84Å; Q288-K290 VanDerWaalsContact C-N 3.27Å; Q288-K290 HydrophobicContact CB-CD 4.18Å; Q288-K290 HydrophobicContact CB-CG 4.13Å; Q288-K290 PolarHBondContact O-N 2.85Å; Q288-K290 VanDerWaalsContact OE1-CE 3.24Å; K290-E340 IonicContact NZ-OE1 3.75Å; K290-A343 HydrophobicContact CB-CB 3.93Å; K290-A343 HydrophobicContact CD-CB 3.98Å; K290-A343 HydrophobicContact CG-CB 4.41Å
291	H	98.3	Very high	98.5	Very high	15 Å²	15	48 Å²	48	7%	0.069	25%	0.252	C	S	.	.	S	Bend	trans	-79	143.1	173.8	59.4	-72.2	0	0	0	111.1	L285 M286 K293 L296 M374	L285-H291 HydrophobicContact CB-CB 4.38Å; L285-H291 PolarHBondContact O-N 3.13Å; L285-H291 PolarHBondContact O-ND1 3.32Å; L285-H291 VanDerWaalsContact O-ND1 3.16Å; M286-H291 VanDerWaalsContact CA-ND1 3.32Å; M286-H291 WeakPolarHBondContact CA-ND1 3.45Å; H291-K293 WeakPolarHBondContact NE2-CE 3.44Å; H291-K293 PolarHBondContact O-N 2.9Å; H291-K293 VanDerWaalsContact O-N 3.09Å; H291-L296 HydrophobicContact CB-CD1 4.5Å; H291-M374 CarbonylContact C-O 3.32Å; H291-M374 WeakPolarHBondContact CA-O 2.98Å; H291-M374 HydrophobicContact CB-CB 4.25Å; H291-M374 HydrophobicContact CB-CE 4.14Å
292	D	98.6	Very high	98.5	Very high	53 Å²	53	48.3 Å²	48.3	28%	0.283	26%	0.255	S	S	.	.			trans	-80.1	91.3	-178.9	-170.6	-23.4	0	0	0	111.1	V294 F295 L296 M374	D292-V294 VanDerWaalsContact C-N 3.27Å; D292-V294 PolarHBondContact O-N 3.48Å; D292-V294 WeakPolarHBondContact OD1-CB 3.28Å; D292-V294 PolarHBondContact OD1-N 2.78Å; D292-V294 VanDerWaalsContact OD1-N 3.08Å; D292-F295 HydrophobicContact CB-CB 3.98Å; D292-F295 PolarHBondContact O-N 3.39Å; D292-F295 PolarHBondContact OD1-N 3.46Å; D292-L296 VanDerWaalsContact O-CG 3.31Å; D292-L296 WeakPolarHBondContact O-CG 3.47Å; D292-L296 PolarHBondContact O-N 3.4Å; D292-M374 PolarHBondContact N-O 3.1Å
293	K	98.1	Very high	98.5	Very high	137 Å²	137	49.3 Å²	49.3	60%	0.596	26%	0.259	S	S	*	.	H	α-helix	trans	-60.8	-34.3	178.4	-64.1	-178.1	179.9	-177.1	0	113	H291 L296 E297	H291-K293 WeakPolarHBondContact NE2-CE 3.44Å; H291-K293 PolarHBondContact O-N 2.9Å; H291-K293 VanDerWaalsContact O-N 3.09Å; K293-L296 PolarHBondContact O-N 3.45Å; K293-E297 WeakPolarHBondContact O-CB 3.46Å; K293-E297 PolarHBondContact O-N 3Å
294	V	98.2	Very high	98.4	Very high	103 Å²	103	52.1 Å²	52.1	62%	0.624	28%	0.28	S	S	*	.	H	α-helix	trans	-68	-42.8	179.8	177.2	0	0	0	0	109.7	D292 K298	D292-V294 VanDerWaalsContact C-N 3.27Å; D292-V294 PolarHBondContact O-N 3.48Å; D292-V294 WeakPolarHBondContact OD1-CB 3.28Å; D292-V294 PolarHBondContact OD1-N 2.78Å; D292-V294 VanDerWaalsContact OD1-N 3.08Å; V294-K298 VanDerWaalsContact O-CB 3.25Å; V294-K298 WeakPolarHBondContact O-CB 3.32Å; V294-K298 PolarHBondContact O-N 3.38Å
295	F	98.7	Very high	98.4	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-47.1	176.2	-172.4	-87.5	0	0	0	111.3	D292 E297 K298 Y299 T300 A373 I378 R619 I634	D292-F295 HydrophobicContact CB-CB 3.98Å; D292-F295 PolarHBondContact O-N 3.39Å; D292-F295 PolarHBondContact OD1-N 3.46Å; F295-E297 PolarHBondContact O-N 3.12Å; F295-K298 PolarHBondContact O-N 3.19Å; F295-Y299 HydrophobicContact CB-CD2 4.42Å; F295-Y299 AromaticContact CD2-CD2 3.38Å; F295-Y299 HydrophobicContact CD2-CD2 3.38Å; F295-Y299 AromaticContact CD2-CE2 3.91Å; F295-Y299 HydrophobicContact CD2-CE2 3.91Å; F295-Y299 AromaticContact CD2-CG 3.96Å; F295-Y299 HydrophobicContact CD2-CG 3.96Å; F295-Y299 HydrophobicContact CE2-CD1 4.38Å; F295-Y299 AromaticContact CE2-CD2 3.61Å; F295-Y299 HydrophobicContact CE2-CD2 3.61Å; F295-Y299 HydrophobicContact CE2-CE2 4.23Å; F295-Y299 AromaticContact CE2-CG 3.69Å; F295-Y299 HydrophobicContact CE2-CG 3.69Å; F295-Y299 AromaticContact CG-CD2 3.91Å; F295-Y299 HydrophobicContact CG-CD2 3.91Å; F295-Y299 HydrophobicContact CZ-CD2 4.28Å; F295-Y299 HydrophobicContact CZ-CG 4.02Å; F295-Y299 WeakPolarHBondContact O-CB 3.39Å; F295-Y299 WeakPolarHBondContact O-CD2 3.44Å; F295-Y299 PolarHBondContact O-N 3.21Å; F295-T300 HydrophobicContact CD1-CG2 4.33Å; F295-T300 HydrophobicContact CE1-CG2 4.14Å; F295-A373 HydrophobicContact CD1-CB 4.26Å; F295-A373 VanDerWaalsContact CD1-O 3.27Å; F295-A373 WeakPolarHBondContact CD1-O 3.15Å; F295-A373 HydrophobicContact CE1-CB 3.93Å; F295-I378 HydrophobicContact CE1-CB 4.47Å; F295-I378 HydrophobicContact CE1-CD1 4.18Å; F295-I378 HydrophobicContact CE2-CB 4.27Å; F295-I378 HydrophobicContact CZ-CB 3.73Å; F295-I378 HydrophobicContact CZ-CD1 4.2Å; F295-I378 HydrophobicContact CZ-CG1 4.39Å; F295-I378 HydrophobicContact CZ-CG2 4.37Å; F295-R619 VanDerWaalsContact CD2-NH1 3.34Å; F295-R619 VanDerWaalsContact CE2-NH1 3.29Å; F295-I634 HydrophobicContact CE1-CD1 4.25Å; F295-I634 HydrophobicContact CZ-CD1 4.25Å
296	L	98.7	Very high	98.4	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-47.8	179.9	-70.4	166.1	0	0	0	111.9	H291 D292 K293 T300 Y303 A373 M374 I636	H291-L296 HydrophobicContact CB-CD1 4.5Å; D292-L296 VanDerWaalsContact O-CG 3.31Å; D292-L296 WeakPolarHBondContact O-CG 3.47Å; D292-L296 PolarHBondContact O-N 3.4Å; K293-L296 PolarHBondContact O-N 3.45Å; L296-T300 HydrophobicContact CD2-CG2 4.21Å; L296-T300 WeakPolarHBondContact O-CB 3.2Å; L296-T300 PolarHBondContact O-N 3.37Å; L296-T300 PolarHBondContact O-OG1 3.24Å; L296-Y303 HydrophobicContact CB-CG 4.4Å; L296-Y303 HydrophobicContact CD1-CD1 4.07Å; L296-Y303 HydrophobicContact CD1-CD2 3.91Å; L296-Y303 HydrophobicContact CD1-CE1 3.85Å; L296-Y303 HydrophobicContact CD1-CE2 3.68Å; L296-Y303 HydrophobicContact CD1-CG 4.1Å; L296-Y303 HydrophobicContact CD2-CD2 3.68Å; L296-Y303 HydrophobicContact CD2-CE2 4.11Å; L296-Y303 HydrophobicContact CD2-CG 4.07Å; L296-Y303 HydrophobicContact CG-CD2 4.32Å; L296-Y303 HydrophobicContact CG-CG 4.42Å; L296-A373 HydrophobicContact CD2-CB 4.28Å; L296-M374 HydrophobicContact CD1-CG 4.42Å; L296-M374 HydrophobicContact CD2-CG 4.22Å; L296-I636 HydrophobicContact CD2-CD1 3.82Å
297	E	98.2	Very high	98.4	Very high	162 Å²	162	57.4 Å²	57.4	76%	0.757	30%	0.304	S	S	*	.	H	α-helix	trans	-65.5	-43.8	179.3	-174.9	177.6	-173.6	0	0	112.4	K293 F295 K633	K293-E297 WeakPolarHBondContact O-CB 3.46Å; K293-E297 PolarHBondContact O-N 3Å; F295-E297 PolarHBondContact O-N 3.12Å; E297-K633 PolarHBondContact O-NZ 3.38Å
298	K	98.2	Very high	98.4	Very high	100 Å²	100	58.1 Å²	58.1	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-79.4	-44.1	-172.9	-174.1	172.2	174.9	-165.3	0	113	V294 F295 K633	V294-K298 VanDerWaalsContact O-CB 3.25Å; V294-K298 WeakPolarHBondContact O-CB 3.32Å; V294-K298 PolarHBondContact O-N 3.38Å; F295-K298 PolarHBondContact O-N 3.19Å; K298-K633 WeakPolarHBondContact O-CE 3.27Å; K298-K633 PolarHBondContact O-NZ 2.85Å
299	Y	98.8	Very high	98.4	Very high	18 Å²	18	55 Å²	55	7%	0.071	29%	0.286	C	S	.	.	H	α-helix	trans	-109	-2.9	-166.5	-59.8	-86.6	0	0	0	114.6	F295 F618 R619 P622 K633 I634	F295-Y299 HydrophobicContact CB-CD2 4.42Å; F295-Y299 AromaticContact CD2-CD2 3.38Å; F295-Y299 HydrophobicContact CD2-CD2 3.38Å; F295-Y299 AromaticContact CD2-CE2 3.91Å; F295-Y299 HydrophobicContact CD2-CE2 3.91Å; F295-Y299 AromaticContact CD2-CG 3.96Å; F295-Y299 HydrophobicContact CD2-CG 3.96Å; F295-Y299 HydrophobicContact CE2-CD1 4.38Å; F295-Y299 AromaticContact CE2-CD2 3.61Å; F295-Y299 HydrophobicContact CE2-CD2 3.61Å; F295-Y299 HydrophobicContact CE2-CE2 4.23Å; F295-Y299 AromaticContact CE2-CG 3.69Å; F295-Y299 HydrophobicContact CE2-CG 3.69Å; F295-Y299 AromaticContact CG-CD2 3.91Å; F295-Y299 HydrophobicContact CG-CD2 3.91Å; F295-Y299 HydrophobicContact CZ-CD2 4.28Å; F295-Y299 HydrophobicContact CZ-CG 4.02Å; F295-Y299 WeakPolarHBondContact O-CB 3.39Å; F295-Y299 WeakPolarHBondContact O-CD2 3.44Å; F295-Y299 PolarHBondContact O-N 3.21Å; Y299-F618 HydrophobicContact CD1-CD1 4.31Å; Y299-F618 AromaticContact CD1-CE1 3.78Å; Y299-F618 HydrophobicContact CD1-CE1 3.78Å; Y299-F618 HydrophobicContact CD1-CE2 4.42Å; Y299-F618 AromaticContact CD1-CZ 3.85Å; Y299-F618 HydrophobicContact CD1-CZ 3.85Å; Y299-F618 HydrophobicContact CG-CE1 4.31Å; Y299-F618 HydrophobicContact CG-CZ 4.41Å; Y299-R619 HydrophobicContact CE1-CG 4.46Å; Y299-R619 WeakPolarHBondContact CE1-O 3.34Å; Y299-R619 PolarHBondContact OH-O 3.27Å; Y299-P622 HydrophobicContact CD1-CB 3.81Å; Y299-P622 HydrophobicContact CD1-CG 3.99Å; Y299-P622 HydrophobicContact CE1-CB 3.87Å; Y299-P622 HydrophobicContact CE1-CG 3.65Å; Y299-K633 WeakPolarHBondContact O-CB 3.38Å; Y299-I634 PolarHBondContact O-N 2.96Å
300	T	98.9	Very high	98.4	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.043	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	171	179.8	84.8	0	0	0	0	112.6	F295 L296 A373 K633 I634 I636	F295-T300 HydrophobicContact CD1-CG2 4.33Å; F295-T300 HydrophobicContact CE1-CG2 4.14Å; L296-T300 HydrophobicContact CD2-CG2 4.21Å; L296-T300 WeakPolarHBondContact O-CB 3.2Å; L296-T300 PolarHBondContact O-N 3.37Å; L296-T300 PolarHBondContact O-OG1 3.24Å; T300-A373 HydrophobicContact CG2-CB 3.99Å; T300-K633 VanDerWaalsContact O-CD 3.29Å; T300-K633 WeakPolarHBondContact O-CD 3.11Å; T300-I634 CarbonylContact C-O 3.5Å; T300-I634 WeakPolarHBondContact CA-O 3.46Å; T300-I634 WeakPolarHBondContact CB-O 3.43Å; T300-I634 HydrophobicContact CG2-CB 4.21Å; T300-I636 HydrophobicContact CG2-CD1 4.09Å
301	T	98.7	Very high	98.5	Very high	51 Å²	51	50 Å²	50	31%	0.313	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.7	164.9	-177.9	0	0	0	0	109.9	S631 I634 E635 I636 Y637	T301-S631 WeakPolarHBondContact CG2-OG 3.12Å; T301-I634 PolarHBondContact N-O 3.11Å; T301-E635 HydrophobicContact CG2-CB 4.03Å; T301-E635 HydrophobicContact CG2-CG 3.75Å; T301-I636 PolarHBondContact O-N 3Å; T301-Y637 PolarHBondContact O-N 3.21Å
302	G	98.3	Very high	98.4	Very high	7 Å²	7	49.6 Å²	49.6	7%	0.072	25%	0.252	C	S	.	.			trans	88.8	4.3	172.1	0	0	0	0	0	117	Q305 F306	G302-Q305 PolarHBondContact O-N 3.04Å; G302-Q305 PolarHBondContact O-OE1 3.24Å; G302-F306 PolarHBondContact O-N 2.66Å
303	Y	98.6	Very high	98.4	Very high	20 Å²	20	54.3 Å²	54.3	8%	0.078	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-42.2	179.3	-179	-103.3	0	0	0	114.1	L296 Q305 F306 E307 M374 I636	L296-Y303 HydrophobicContact CB-CG 4.4Å; L296-Y303 HydrophobicContact CD1-CD1 4.07Å; L296-Y303 HydrophobicContact CD1-CD2 3.91Å; L296-Y303 HydrophobicContact CD1-CE1 3.85Å; L296-Y303 HydrophobicContact CD1-CE2 3.68Å; L296-Y303 HydrophobicContact CD1-CG 4.1Å; L296-Y303 HydrophobicContact CD2-CD2 3.68Å; L296-Y303 HydrophobicContact CD2-CE2 4.11Å; L296-Y303 HydrophobicContact CD2-CG 4.07Å; L296-Y303 HydrophobicContact CG-CD2 4.32Å; L296-Y303 HydrophobicContact CG-CG 4.42Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.02Å; Y303-F306 HydrophobicContact CD2-CD1 4.2Å; Y303-F306 HydrophobicContact CE2-CD1 4.19Å; Y303-F306 CarbonylContact O-C 3.58Å; Y303-F306 WeakPolarHBondContact O-CB 3.36Å; Y303-F306 PolarHBondContact O-N 2.75Å; Y303-F306 VanDerWaalsContact O-N 3.09Å; Y303-E307 HydrophobicContact CE1-CB 4.32Å; Y303-E307 WeakPolarHBondContact CE1-OE2 3.34Å; Y303-E307 PolarHBondContact O-N 3.16Å; Y303-M374 HydrophobicContact CE2-CE 4.12Å; Y303-M374 HydrophobicContact CE2-CG 4.02Å; Y303-M374 HydrophobicContact CE2-SD 4.2Å; Y303-I636 HydrophobicContact CD2-CD1 4.06Å
304	P	98	Very high	98.3	Very high	85 Å²	85	51.1 Å²	51.1	55%	0.552	27%	0.265	S	S	*	.	H	α-helix	trans	-57.1	-41.7	179	-27.3	36.5	0	0	0	113.8	E307 E308	P304-E307 PolarHBondContact O-N 3.31Å; P304-E308 PolarHBondContact O-N 3.29Å; P304-E308 VanDerWaalsContact O-N 3.11Å
305	Q	98.1	Very high	98.2	Very high	79 Å²	79	49 Å²	49	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-40.1	176.5	-63.2	94	-46.4	0	0	111.8	G302 Y303 E308 Y309 Y637	G302-Q305 PolarHBondContact O-N 3.04Å; G302-Q305 PolarHBondContact O-OE1 3.24Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.02Å; Q305-E308 PolarHBondContact O-N 2.99Å; Q305-Y309 PolarHBondContact O-N 3.02Å; Q305-Y637 HydrophobicContact CB-CD2 3.66Å; Q305-Y637 HydrophobicContact CB-CE2 4.16Å; Q305-Y637 HydrophobicContact CB-CG 4.32Å; Q305-Y637 HydrophobicContact CG-CD2 4.16Å; Q305-Y637 HydrophobicContact CG-CE2 4.42Å
306	F	98.6	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-37.3	174.7	174.3	-101.9	0	0	0	112.1	L279 G302 Y303 E308 Y309 L310 M367 T370 M374 I636 P653	L279-F306 HydrophobicContact CD2-CE2 3.85Å; L279-F306 HydrophobicContact CD2-CZ 3.73Å; G302-F306 PolarHBondContact O-N 2.66Å; Y303-F306 HydrophobicContact CD2-CD1 4.2Å; Y303-F306 HydrophobicContact CE2-CD1 4.19Å; Y303-F306 CarbonylContact O-C 3.58Å; Y303-F306 WeakPolarHBondContact O-CB 3.36Å; Y303-F306 PolarHBondContact O-N 2.75Å; Y303-F306 VanDerWaalsContact O-N 3.09Å; F306-E308 VanDerWaalsContact C-N 3.33Å; F306-E308 PolarHBondContact O-N 2.84Å; F306-Y309 HydrophobicContact CD2-CD1 4.35Å; F306-Y309 HydrophobicContact CE2-CD1 4.22Å; F306-Y309 WeakPolarHBondContact O-CB 3.42Å; F306-Y309 PolarHBondContact O-N 2.74Å; F306-L310 HydrophobicContact CE1-CD1 4.45Å; F306-L310 HydrophobicContact CE1-CD2 4.15Å; F306-L310 HydrophobicContact CZ-CD1 4.25Å; F306-L310 WeakPolarHBondContact O-CB 3.47Å; F306-L310 PolarHBondContact O-N 2.71Å; F306-M367 HydrophobicContact CE2-CE 4.49Å; F306-M367 HydrophobicContact CE2-SD 3.92Å; F306-M367 HydrophobicContact CZ-CE 3.73Å; F306-M367 HydrophobicContact CZ-SD 3.76Å; F306-T370 HydrophobicContact CD1-CG2 4.05Å; F306-T370 HydrophobicContact CE1-CG2 3.71Å; F306-T370 HydrophobicContact CE2-CG2 4.32Å; F306-T370 HydrophobicContact CG-CG2 4.5Å; F306-T370 HydrophobicContact CZ-CG2 3.87Å; F306-M374 HydrophobicContact CE1-SD 4.07Å; F306-I636 HydrophobicContact CB-CG2 3.51Å; F306-I636 HydrophobicContact CD1-CG2 4.15Å; F306-I636 HydrophobicContact CD2-CG2 4.26Å; F306-I636 HydrophobicContact CG-CG2 3.71Å; F306-P653 HydrophobicContact CE2-CB 4.33Å; F306-P653 HydrophobicContact CE2-CG 4.46Å
307	E	98.5	Very high	98.1	Very high	63 Å²	63	58.5 Å²	58.5	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-37	176.2	-168.8	-178.3	135.8	0	0	111.9	M286 Y303 P304 Y309 L310 T311	M286-E307 HydrophobicContact SD-CG 3.57Å; M286-E307 VanDerWaalsContact SD-CG 3.57Å; Y303-E307 HydrophobicContact CE1-CB 4.32Å; Y303-E307 WeakPolarHBondContact CE1-OE2 3.34Å; Y303-E307 PolarHBondContact O-N 3.16Å; P304-E307 PolarHBondContact O-N 3.31Å; E307-Y309 VanDerWaalsContact C-N 3.3Å; E307-Y309 PolarHBondContact O-N 2.78Å; E307-L310 PolarHBondContact O-N 3.46Å; E307-T311 HydrophobicContact CG-CG2 4.2Å; E307-T311 WeakPolarHBondContact O-CB 3.28Å; E307-T311 WeakPolarHBondContact O-CG2 3.49Å; E307-T311 PolarHBondContact O-N 2.72Å; E307-T311 PolarHBondContact O-OG1 3.42Å
308	E	98.4	Very high	98.2	Very high	101 Å²	101	53.8 Å²	53.8	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-40.2	173	-71.7	179.7	175.3	0	0	112.2	P304 Q305 F306 T311 G312 K313 S314	P304-E308 PolarHBondContact O-N 3.29Å; P304-E308 VanDerWaalsContact O-N 3.11Å; Q305-E308 PolarHBondContact O-N 2.99Å; F306-E308 VanDerWaalsContact C-N 3.33Å; F306-E308 PolarHBondContact O-N 2.84Å; E308-T311 PolarHBondContact O-OG1 3.26Å; E308-G312 CarbonylContact O-C 3.53Å; E308-G312 PolarHBondContact O-N 2.81Å; E308-K313 HydrophobicContact CB-CB 4.23Å; E308-K313 HydrophobicContact CG-CB 4.48Å; E308-K313 HydrophobicContact CG-CD 4.38Å; E308-K313 PolarHBondContact O-N 2.85Å; E308-S314 PolarHBondContact O-N 3.02Å
309	Y	98.6	Very high	98.2	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-39.8	173.3	168	-107.3	0	0	0	113	L279 Q305 F306 E307 G312 S314 D315 K319 H652 T654 W655	L279-Y309 HydrophobicContact CD1-CE1 3.89Å; L279-Y309 WeakPolarHBondContact CD1-OH 3.28Å; L279-Y309 HydrophobicContact CD2-CD1 4.42Å; L279-Y309 HydrophobicContact CD2-CE1 3.8Å; Q305-Y309 PolarHBondContact O-N 3.02Å; F306-Y309 HydrophobicContact CD2-CD1 4.35Å; F306-Y309 HydrophobicContact CE2-CD1 4.22Å; F306-Y309 WeakPolarHBondContact O-CB 3.42Å; F306-Y309 PolarHBondContact O-N 2.74Å; E307-Y309 VanDerWaalsContact C-N 3.3Å; E307-Y309 PolarHBondContact O-N 2.78Å; Y309-G312 PolarHBondContact O-N 3.2Å; Y309-S314 VanDerWaalsContact CA-OG 3.23Å; Y309-S314 WeakPolarHBondContact CA-OG 3.14Å; Y309-D315 WeakPolarHBondContact CE2-OD2 3.2Å; Y309-K319 HydrophobicContact CE1-CG 4.37Å; Y309-K319 PolarHBondContact O-NZ 3.35Å; Y309-K319 VanDerWaalsContact OH-CE 3.31Å; Y309-K319 WeakPolarHBondContact OH-CE 3.48Å; Y309-H652 AromaticContact CD1-CE1 3.62Å; Y309-H652 AromaticContact CD1-ND1 3.94Å; Y309-H652 AromaticContact CD2-CE1 3.95Å; Y309-H652 AromaticContact CG-CE1 3.42Å; Y309-H652 VanDerWaalsContact CG-CE1 3.42Å; Y309-T654 HydrophobicContact CE2-CG2 4.06Å; Y309-W655 WeakPolarHBondContact OH-CB 3.45Å; Y309-W655 PolarHBondContact OH-N 3.1Å
310	L	98.6	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-45.2	179.2	-167.5	66.8	0	0	0	111.1	L279 A282 H283 M286 F306 E307 G312 K319 M374	L279-L310 HydrophobicContact CD2-CD1 3.83Å; A282-L310 HydrophobicContact CB-CD1 4.04Å; A282-L310 HydrophobicContact CB-CD2 4.26Å; H283-L310 HydrophobicContact CB-CD1 3.97Å; H283-L310 HydrophobicContact CB-CG 4.09Å; H283-L310 PolarHBondContact CD2-O 3.27Å; M286-L310 HydrophobicContact CB-CD2 4.08Å; M286-L310 HydrophobicContact CE-CD2 4.41Å; M286-L310 HydrophobicContact SD-CD2 3.81Å; M286-L310 HydrophobicContact SD-CG 4.4Å; F306-L310 HydrophobicContact CE1-CD1 4.45Å; F306-L310 HydrophobicContact CE1-CD2 4.15Å; F306-L310 HydrophobicContact CZ-CD1 4.25Å; F306-L310 WeakPolarHBondContact O-CB 3.47Å; F306-L310 PolarHBondContact O-N 2.71Å; E307-L310 PolarHBondContact O-N 3.46Å; L310-G312 PolarHBondContact O-N 3.02Å; L310-K319 HydrophobicContact CD1-CB 4.15Å; L310-K319 PolarHBondContact O-N 2.97Å; L310-M374 HydrophobicContact CD2-CE 4.11Å
311	T	98.5	Very high	98.2	Very high	32 Å²	32	49.8 Å²	49.8	20%	0.196	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.7	178.1	53.3	0	0	0	0	113.7	M286 E307 E308 K313	M286-T311 HydrophobicContact CE-CG2 3.48Å; M286-T311 VanDerWaalsContact CE-CG2 3.48Å; M286-T311 HydrophobicContact SD-CG2 3.63Å; E307-T311 HydrophobicContact CG-CG2 4.2Å; E307-T311 WeakPolarHBondContact O-CB 3.28Å; E307-T311 WeakPolarHBondContact O-CG2 3.49Å; E307-T311 PolarHBondContact O-N 2.72Å; E307-T311 PolarHBondContact O-OG1 3.42Å; E308-T311 PolarHBondContact O-OG1 3.26Å; T311-K313 VanDerWaalsContact C-N 3.3Å; T311-K313 WeakPolarHBondContact OG1-CG 3.2Å
312	G	98.2	Very high	98.2	Very high	6 Å²	6	49 Å²	49	6%	0.062	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	12.8	-174.7	0	0	0	0	0	113.9	E308 Y309 L310 S314 D315 N316	E308-G312 CarbonylContact O-C 3.53Å; E308-G312 PolarHBondContact O-N 2.81Å; Y309-G312 PolarHBondContact O-N 3.2Å; L310-G312 PolarHBondContact O-N 3.02Å; G312-S314 VanDerWaalsContact C-N 3.27Å; G312-S314 PolarHBondContact O-N 3.18Å; G312-D315 WeakPolarHBondContact CA-OD1 3.17Å; G312-N316 WeakPolarHBondContact O-CA 3.42Å; G312-N316 PolarHBondContact O-N 2.93Å
313	K	97.9	Very high	98.2	Very high	151 Å²	151	50.3 Å²	50.3	66%	0.657	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.7	174.4	-72.5	173.6	-177.2	171.1	0	112.3	E308 T311	E308-K313 HydrophobicContact CB-CB 4.23Å; E308-K313 HydrophobicContact CG-CB 4.48Å; E308-K313 HydrophobicContact CG-CD 4.38Å; E308-K313 PolarHBondContact O-N 2.85Å; T311-K313 VanDerWaalsContact C-N 3.3Å; T311-K313 WeakPolarHBondContact OG1-CG 3.2Å
314	S	96.2	Very high	98.2	Very high	70 Å²	70	49.3 Å²	49.3	49%	0.49	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.4	-179.2	64.9	0	0	0	0	114.5	E308 Y309 G312	E308-S314 PolarHBondContact O-N 3.02Å; Y309-S314 VanDerWaalsContact CA-OG 3.23Å; Y309-S314 WeakPolarHBondContact CA-OG 3.14Å; G312-S314 VanDerWaalsContact C-N 3.27Å; G312-S314 PolarHBondContact O-N 3.18Å
315	D	96.4	Very high	98.3	Very high	60 Å²	60	46.3 Å²	46.3	32%	0.321	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	9.1	-173.7	72.4	-0.4	0	0	0	115.6	Y309 G312 T317 K319	Y309-D315 WeakPolarHBondContact CE2-OD2 3.2Å; G312-D315 WeakPolarHBondContact CA-OD1 3.17Å; D315-T317 PolarHBondContact O-N 3.2Å; D315-T317 PolarHBondContact O-OG1 2.97Å; D315-T317 PolarHBondContact OD1-N 2.87Å; D315-K319 VanDerWaalsContact CG-NZ 3.26Å; D315-K319 IonicContact OD1-NZ 3.06Å; D315-K319 PolarHBondContact OD1-NZ 3.06Å; D315-K319 IonicContact OD2-NZ 2.68Å; D315-K319 PolarHBondContact OD2-NZ 3.21Å
316	N	97.3	Very high	98.3	Very high	149 Å²	149	50.4 Å²	50.4	80%	0.797	27%	0.273	S	S	*	.	S	Bend	trans	59.7	17	-176.7	-56.6	-61	0	0	0	115.6	G312	G312-N316 WeakPolarHBondContact O-CA 3.42Å; G312-N316 PolarHBondContact O-N 2.93Å
317	T	98	Very high	98.3	Very high	57 Å²	57	51.4 Å²	51.4	35%	0.35	28%	0.278	S	S	.	.			trans	-125.9	93.1	-179.2	-53.8	0	0	0	0	110.3	D315 K319	D315-T317 PolarHBondContact O-N 3.2Å; D315-T317 PolarHBondContact O-OG1 2.97Å; D315-T317 PolarHBondContact OD1-N 2.87Å; T317-K319 WeakPolarHBondContact O-CD 3.47Å; T317-K319 WeakPolarHBondContact O-CE 3.28Å; T317-K319 PolarHBondContact O-N 2.77Å; T317-K319 PolarHBondContact O-NZ 3.33Å
318	P	98.4	Very high	98.3	Very high	64 Å²	64	48.4 Å²	48.4	42%	0.416	26%	0.264	S	S	.	.			trans	-58.5	128	173.7	-21.8	32.4	0	0	0	110.3	S320	P318-S320 PolarHBondContact O-N 3.49Å
319	K	98.9	Very high	98.3	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.017	26%	0.261	C	S	.	.			trans	-80.9	48.1	-177.5	-51	-54.8	-179.1	-57.4	0	111.8	L279 G280 H283 Y309 L310 D315 T317 W323	L279-K319 HydrophobicContact CB-CB 4.04Å; L279-K319 HydrophobicContact CD1-CG 4.47Å; G280-K319 WeakPolarHBondContact CA-O 3.45Å; H283-K319 WeakPolarHBondContact CB-O 3.32Å; Y309-K319 HydrophobicContact CE1-CG 4.37Å; Y309-K319 PolarHBondContact O-NZ 3.35Å; Y309-K319 VanDerWaalsContact OH-CE 3.31Å; Y309-K319 WeakPolarHBondContact OH-CE 3.48Å; L310-K319 HydrophobicContact CD1-CB 4.15Å; L310-K319 PolarHBondContact O-N 2.97Å; D315-K319 VanDerWaalsContact CG-NZ 3.26Å; D315-K319 IonicContact OD1-NZ 3.06Å; D315-K319 PolarHBondContact OD1-NZ 3.06Å; D315-K319 IonicContact OD2-NZ 2.68Å; D315-K319 PolarHBondContact OD2-NZ 3.21Å; T317-K319 WeakPolarHBondContact O-CD 3.47Å; T317-K319 WeakPolarHBondContact O-CE 3.28Å; T317-K319 PolarHBondContact O-N 2.77Å; T317-K319 PolarHBondContact O-NZ 3.33Å; K319-W323 HydrophobicContact CB-CD2 4.39Å; K319-W323 HydrophobicContact CB-CE3 3.81Å; K319-W323 HydrophobicContact CB-CH2 4.43Å; K319-W323 HydrophobicContact CB-CZ3 3.84Å; K319-W323 HydrophobicContact CD-CD2 4.02Å; K319-W323 HydrophobicContact CD-CE3 4.12Å; K319-W323 HydrophobicContact CD-CH2 3.8Å; K319-W323 HydrophobicContact CD-CZ2 3.65Å; K319-W323 HydrophobicContact CD-CZ3 4.03Å; K319-W323 HydrophobicContact CG-CZ3 4.4Å
320	S	98.8	Very high	98.3	Very high	32 Å²	32	45.1 Å²	45.1	22%	0.224	26%	0.26	C	S	.	.			trans	-63.2	166.6	-174.4	70.3	0	0	0	0	112.9	P318 A322 W323 A324	P318-S320 PolarHBondContact O-N 3.49Å; S320-A322 VanDerWaalsContact C-N 3.26Å; S320-A322 PolarHBondContact O-N 3.37Å; S320-W323 PolarHBondContact O-N 3.46Å; S320-W323 PolarHBondContact OG-N 3.17Å; S320-W323 VanDerWaalsContact OG-N 3.1Å; S320-A324 WeakPolarHBondContact O-CB 3.44Å; S320-A324 PolarHBondContact O-N 2.62Å
321	A	98.8	Very high	98.3	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-35.8	172.5	0	0	0	0	0	111.9	A324 A325 E332 I335 V336	A321-A324 PolarHBondContact O-N 3.07Å; A321-A325 WeakPolarHBondContact O-CB 3.45Å; A321-A325 PolarHBondContact O-N 3.34Å; A321-E332 HydrophobicContact CB-CG 3.75Å; A321-I335 HydrophobicContact CB-CB 4.18Å; A321-I335 HydrophobicContact CB-CG2 3.94Å; A321-V336 HydrophobicContact CB-CG2 3.89Å
322	A	98.7	Very high	98.3	Very high	35 Å²	35	52.6 Å²	52.6	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-48.1	172.2	0	0	0	0	0	112.2	S320 A324 A325 E326	S320-A322 VanDerWaalsContact C-N 3.26Å; S320-A322 PolarHBondContact O-N 3.37Å; A322-A324 VanDerWaalsContact C-N 3.33Å; A322-A324 PolarHBondContact O-N 3.12Å; A322-A325 WeakPolarHBondContact O-CB 3.3Å; A322-A325 PolarHBondContact O-N 3.43Å; A322-A325 VanDerWaalsContact O-N 3.14Å; A322-E326 PolarHBondContact O-N 2.86Å
323	W	98.7	Very high	98.3	Very high	34 Å²	34	56.1 Å²	56.1	13%	0.129	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-44.9	175.2	165.2	85.7	0	0	0	111.8	A276 L279 K319 S320 A325 E326 I327 W655	A276-W323 HydrophobicContact CB-CH2 3.59Å; A276-W323 HydrophobicContact CB-CZ2 4.39Å; A276-W323 HydrophobicContact CB-CZ3 3.85Å; A276-W323 WeakPolarHBondContact O-CZ3 3.44Å; L279-W323 HydrophobicContact CB-CH2 4.29Å; L279-W323 HydrophobicContact CB-CZ3 3.82Å; L279-W323 HydrophobicContact CD1-CH2 3.9Å; L279-W323 HydrophobicContact CD1-CZ3 4.28Å; K319-W323 HydrophobicContact CB-CD2 4.39Å; K319-W323 HydrophobicContact CB-CE3 3.81Å; K319-W323 HydrophobicContact CB-CH2 4.43Å; K319-W323 HydrophobicContact CB-CZ3 3.84Å; K319-W323 HydrophobicContact CD-CD2 4.02Å; K319-W323 HydrophobicContact CD-CE3 4.12Å; K319-W323 HydrophobicContact CD-CH2 3.8Å; K319-W323 HydrophobicContact CD-CZ2 3.65Å; K319-W323 HydrophobicContact CD-CZ3 4.03Å; K319-W323 HydrophobicContact CG-CZ3 4.4Å; S320-W323 PolarHBondContact O-N 3.46Å; S320-W323 PolarHBondContact OG-N 3.17Å; S320-W323 VanDerWaalsContact OG-N 3.1Å; W323-A325 VanDerWaalsContact C-N 3.29Å; W323-A325 PolarHBondContact O-N 2.83Å; W323-E326 PolarHBondContact O-N 3.22Å; W323-I327 HydrophobicContact CD2-CD1 4.05Å; W323-I327 HydrophobicContact CH2-CD1 4Å; W323-I327 HydrophobicContact CZ2-CD1 3.28Å; W323-I327 PolarHBondContact O-N 3.31Å; W323-W655 HydrophobicContact CH2-CB 3.97Å; W323-W655 HydrophobicContact CH2-CG 4.05Å; W323-W655 HydrophobicContact CZ2-CB 4.13Å; W323-W655 AromaticContact CZ2-CD1 3.77Å; W323-W655 AromaticContact CZ2-CG 3.94Å; W323-W655 HydrophobicContact CZ2-CG 3.94Å
324	A	98.9	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-35.6	177.7	0	0	0	0	0	111.6	A276 S320 A321 A322 I327 T328 I335	A276-A324 VanDerWaalsContact O-CB 3.26Å; A276-A324 WeakPolarHBondContact O-CB 3.31Å; S320-A324 WeakPolarHBondContact O-CB 3.44Å; S320-A324 PolarHBondContact O-N 2.62Å; A321-A324 PolarHBondContact O-N 3.07Å; A322-A324 VanDerWaalsContact C-N 3.33Å; A322-A324 PolarHBondContact O-N 3.12Å; A324-I327 PolarHBondContact O-N 3.04Å; A324-T328 VanDerWaalsContact O-CB 3.25Å; A324-T328 WeakPolarHBondContact O-CB 3.21Å; A324-T328 WeakPolarHBondContact O-CG2 3.37Å; A324-T328 PolarHBondContact O-N 3.36Å; A324-T328 PolarHBondContact O-OG1 2.96Å; A324-I335 HydrophobicContact CB-CD1 3.73Å
325	A	98.8	Very high	98.4	Very high	21 Å²	21	47.9 Å²	47.9	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-40.4	177.9	0	0	0	0	0	112.5	A321 A322 W323 I327 G329 V330 E332 I335	A321-A325 WeakPolarHBondContact O-CB 3.45Å; A321-A325 PolarHBondContact O-N 3.34Å; A322-A325 WeakPolarHBondContact O-CB 3.3Å; A322-A325 PolarHBondContact O-N 3.43Å; A322-A325 VanDerWaalsContact O-N 3.14Å; W323-A325 VanDerWaalsContact C-N 3.29Å; W323-A325 PolarHBondContact O-N 2.83Å; A325-I327 VanDerWaalsContact C-N 3.34Å; A325-I327 PolarHBondContact O-N 2.77Å; A325-G329 WeakPolarHBondContact O-CA 3.41Å; A325-G329 PolarHBondContact O-N 3.13Å; A325-V330 WeakPolarHBondContact CA-O 3.26Å; A325-V330 WeakPolarHBondContact CB-O 3.47Å; A325-E332 HydrophobicContact CB-CB 4.18Å; A325-I335 HydrophobicContact CB-CD1 4.26Å
326	E	98.5	Very high	98.5	Very high	166 Å²	166	46.7 Å²	46.7	78%	0.776	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-40.9	177.1	-69	-179.1	165.4	0	0	112.4	A322 W323	A322-E326 PolarHBondContact O-N 2.86Å; W323-E326 PolarHBondContact O-N 3.22Å
327	I	98.5	Very high	98.6	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-78.6	-47.2	-178	-64.7	171.9	0	0	0	111.1	N270 T273 A276 W323 A324 A325 W655 W661	N270-I327 PolarHBondContact ND2-O 2.85Å; T273-I327 HydrophobicContact CG2-CG2 3.8Å; A276-I327 HydrophobicContact CB-CB 4.14Å; A276-I327 HydrophobicContact CB-CD1 4.21Å; A276-I327 HydrophobicContact CB-CG2 3.77Å; W323-I327 HydrophobicContact CD2-CD1 4.05Å; W323-I327 HydrophobicContact CH2-CD1 4Å; W323-I327 HydrophobicContact CZ2-CD1 3.28Å; W323-I327 PolarHBondContact O-N 3.31Å; A324-I327 PolarHBondContact O-N 3.04Å; A325-I327 VanDerWaalsContact C-N 3.34Å; A325-I327 PolarHBondContact O-N 2.77Å; I327-W655 HydrophobicContact CG2-CH2 3.94Å; I327-W655 HydrophobicContact CG2-CZ2 3.53Å; I327-W661 HydrophobicContact CG2-CH2 4.3Å; I327-W661 HydrophobicContact CG2-CZ3 3.97Å
328	T	98.6	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-85.3	-21.8	-169.7	65.9	0	0	0	0	112.9	P269 N270 T273 A276 L277 A324 V330	P269-T328 CarbonylContact C-O 3.59Å; P269-T328 WeakPolarHBondContact CA-O 3.49Å; N270-T328 PolarHBondContact N-O 2.76Å; N270-T328 PolarHBondContact ND2-O 3.28Å; T273-T328 WeakPolarHBondContact OG1-CA 3.41Å; A276-T328 HydrophobicContact CB-CG2 3.94Å; L277-T328 HydrophobicContact CB-CG2 3.85Å; A324-T328 VanDerWaalsContact O-CB 3.25Å; A324-T328 WeakPolarHBondContact O-CB 3.21Å; A324-T328 WeakPolarHBondContact O-CG2 3.37Å; A324-T328 PolarHBondContact O-N 3.36Å; A324-T328 PolarHBondContact O-OG1 2.96Å; T328-V330 PolarHBondContact O-N 3.35Å; T328-V330 WeakPolarHBondContact OG1-CB 3.5Å; T328-V330 PolarHBondContact OG1-N 3.44Å; T328-V330 VanDerWaalsContact OG1-N 3.13Å
329	G	98	Very high	98.6	Very high	39 Å²	39	40.1 Å²	40.1	40%	0.402	23%	0.233	S	C	.	.			trans	68.9	9.5	-169.6	0	0	0	0	0	114	A325	A325-G329 WeakPolarHBondContact O-CA 3.41Å; A325-G329 PolarHBondContact O-N 3.13Å
330	V	98.6	Very high	98.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	25%	0.248	C	C	.	.			trans	-87.3	128.3	171.9	179.5	0	0	0	0	108.4	I267 P269 A325 T328 E332 Q334 I335	I267-V330 HydrophobicContact CG2-CB 4.48Å; I267-V330 HydrophobicContact CG2-CG1 3.75Å; I267-V330 HydrophobicContact CG2-CG2 3.82Å; P269-V330 HydrophobicContact CB-CG2 3.97Å; A325-V330 WeakPolarHBondContact CA-O 3.26Å; A325-V330 WeakPolarHBondContact CB-O 3.47Å; T328-V330 PolarHBondContact O-N 3.35Å; T328-V330 WeakPolarHBondContact OG1-CB 3.5Å; T328-V330 PolarHBondContact OG1-N 3.44Å; T328-V330 VanDerWaalsContact OG1-N 3.13Å; V330-E332 PolarHBondContact O-N 3.48Å; V330-Q334 HydrophobicContact CG1-CB 3.99Å; V330-Q334 HydrophobicContact CG1-CG 4.01Å; V330-I335 HydrophobicContact CB-CD1 4.35Å; V330-I335 HydrophobicContact CB-CG1 4.26Å; V330-I335 HydrophobicContact CG1-CD1 4.48Å; V330-I335 HydrophobicContact CG1-CG1 3.86Å
331	P	98.5	Very high	98.5	Very high	90 Å²	90	44.4 Å²	44.4	58%	0.584	25%	0.25	S	S	*	.			trans	-56.2	138.6	-178.8	-26.5	34.7	0	0	0	112.9	A333 Q334 I335	P331-A333 VanDerWaalsContact C-N 3.26Å; P331-A333 PolarHBondContact O-N 3.38Å; P331-Q334 HydrophobicContact CB-CB 4.39Å; P331-Q334 WeakPolarHBondContact O-CA 3.42Å; P331-Q334 VanDerWaalsContact O-CB 3.29Å; P331-Q334 WeakPolarHBondContact O-CB 3.27Å; P331-Q334 PolarHBondContact O-N 3.43Å; P331-I335 PolarHBondContact O-N 2.82Å
332	E	98.7	Very high	98.5	Very high	99 Å²	99	44.2 Å²	44.2	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-50.6	-45.8	179.6	176.8	175.7	-169	0	0	112.3	A321 A325 V330 Q334 I335 V336	A321-E332 HydrophobicContact CB-CG 3.75Å; A325-E332 HydrophobicContact CB-CB 4.18Å; V330-E332 PolarHBondContact O-N 3.48Å; E332-Q334 PolarHBondContact O-N 3.36Å; E332-I335 WeakPolarHBondContact O-CB 3.25Å; E332-I335 PolarHBondContact O-N 3.32Å; E332-V336 HydrophobicContact CG-CG2 4.48Å; E332-V336 PolarHBondContact O-N 2.82Å
333	A	98.6	Very high	98.5	Very high	79 Å²	79	44 Å²	44	65%	0.653	25%	0.247	S	C	*	.	H	α-helix	trans	-58.3	-34.4	178.2	0	0	0	0	0	112.9	P331 K337	P331-A333 VanDerWaalsContact C-N 3.26Å; P331-A333 PolarHBondContact O-N 3.38Å; A333-K337 VanDerWaalsContact O-CB 3.3Å; A333-K337 WeakPolarHBondContact O-CB 3.18Å; A333-K337 PolarHBondContact O-N 3.46Å
334	Q	98.5	Very high	98.5	Very high	49 Å²	49	46.1 Å²	46.1	23%	0.229	27%	0.272	C	S	.	.	H	α-helix	trans	-70.9	-39.2	176.5	-173.4	64.1	35.7	0	0	111	I267 V330 P331 E332 K337 L338	I267-Q334 HydrophobicContact CD1-CG 3.9Å; I267-Q334 VanDerWaalsContact CD1-NE2 3.25Å; I267-Q334 HydrophobicContact CG1-CG 4.28Å; V330-Q334 HydrophobicContact CG1-CB 3.99Å; V330-Q334 HydrophobicContact CG1-CG 4.01Å; P331-Q334 HydrophobicContact CB-CB 4.39Å; P331-Q334 WeakPolarHBondContact O-CA 3.42Å; P331-Q334 VanDerWaalsContact O-CB 3.29Å; P331-Q334 WeakPolarHBondContact O-CB 3.27Å; P331-Q334 PolarHBondContact O-N 3.43Å; E332-Q334 PolarHBondContact O-N 3.36Å; Q334-K337 PolarHBondContact O-N 2.89Å; Q334-L338 WeakPolarHBondContact O-CG 3.43Å; Q334-L338 PolarHBondContact O-N 2.59Å
335	I	98.8	Very high	98.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.5	-58	179.4	0	0	0	110.5	L277 I281 A321 A324 A325 V330 P331 E332 L338 A339	L277-I335 HydrophobicContact CD1-CD1 3.98Å; L277-I335 HydrophobicContact CD1-CG1 3.71Å; L277-I335 HydrophobicContact CD1-CG2 4.35Å; I281-I335 HydrophobicContact CG1-CG2 3.96Å; A321-I335 HydrophobicContact CB-CB 4.18Å; A321-I335 HydrophobicContact CB-CG2 3.94Å; A324-I335 HydrophobicContact CB-CD1 3.73Å; A325-I335 HydrophobicContact CB-CD1 4.26Å; V330-I335 HydrophobicContact CB-CD1 4.35Å; V330-I335 HydrophobicContact CB-CG1 4.26Å; V330-I335 HydrophobicContact CG1-CD1 4.48Å; V330-I335 HydrophobicContact CG1-CG1 3.86Å; P331-I335 PolarHBondContact O-N 2.82Å; E332-I335 WeakPolarHBondContact O-CB 3.25Å; E332-I335 PolarHBondContact O-N 3.32Å; I335-L338 PolarHBondContact O-N 3.01Å; I335-A339 PolarHBondContact O-N 3.21Å; I335-A339 VanDerWaalsContact O-N 3.16Å
336	V	98.7	Very high	98.4	Very high	35 Å²	35	51.6 Å²	51.6	21%	0.212	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-50.2	175	174.5	0	0	0	0	110.4	T284 A321 E332 L338 A339 E340	T284-V336 HydrophobicContact CG2-CB 4.47Å; T284-V336 HydrophobicContact CG2-CG1 4.2Å; T284-V336 HydrophobicContact CG2-CG2 4.31Å; A321-V336 HydrophobicContact CB-CG2 3.89Å; E332-V336 HydrophobicContact CG-CG2 4.48Å; E332-V336 PolarHBondContact O-N 2.82Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 3.49Å; V336-A339 WeakPolarHBondContact O-CB 3.36Å; V336-A339 PolarHBondContact O-N 3.14Å; V336-E340 HydrophobicContact CG1-CG 4.31Å; V336-E340 WeakPolarHBondContact O-CG 3.44Å; V336-E340 PolarHBondContact O-N 2.92Å
337	K	98.3	Very high	98.5	Very high	129 Å²	129	43.8 Å²	43.8	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-56.3	-39	178.2	-176.7	177.7	179.7	-179	0	112.8	A333 Q334 E340 L341	A333-K337 VanDerWaalsContact O-CB 3.3Å; A333-K337 WeakPolarHBondContact O-CB 3.18Å; A333-K337 PolarHBondContact O-N 3.46Å; Q334-K337 PolarHBondContact O-N 2.89Å; K337-E340 PolarHBondContact O-N 3.31Å; K337-L341 VanDerWaalsContact O-CB 3.25Å; K337-L341 WeakPolarHBondContact O-CB 3.38Å; K337-L341 PolarHBondContact O-N 2.94Å
338	L	98.3	Very high	98.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-48.7	174.8	-76.8	177.4	0	0	0	112	I247 I267 I281 Q334 I335 V336 E340 L341 M342	I247-L338 HydrophobicContact CG1-CD2 4.31Å; I247-L338 HydrophobicContact CG2-CD2 3.65Å; I267-L338 HydrophobicContact CD1-CD1 3.63Å; I267-L338 HydrophobicContact CD1-CD2 3.66Å; I267-L338 HydrophobicContact CD1-CG 3.89Å; I281-L338 HydrophobicContact CD1-CB 4.21Å; I281-L338 HydrophobicContact CD1-CD1 4.09Å; I281-L338 HydrophobicContact CG1-CB 4.41Å; Q334-L338 WeakPolarHBondContact O-CG 3.43Å; Q334-L338 PolarHBondContact O-N 2.59Å; I335-L338 PolarHBondContact O-N 3.01Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 3.49Å; L338-E340 VanDerWaalsContact C-N 3.31Å; L338-E340 PolarHBondContact O-N 3.46Å; L338-L341 PolarHBondContact O-N 3.1Å; L338-M342 HydrophobicContact CB-CE 4.26Å; L338-M342 HydrophobicContact CD2-CE 4.14Å; L338-M342 WeakPolarHBondContact O-CB 3.5Å; L338-M342 VanDerWaalsContact O-CG 3.23Å; L338-M342 WeakPolarHBondContact O-CG 3.46Å; L338-M342 PolarHBondContact O-N 3.48Å
339	A	98.6	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-45.5	178.1	0	0	0	0	0	111.5	I281 T284 L285 I335 V336 A343	I281-A339 HydrophobicContact CG2-CB 3.86Å; T284-A339 HydrophobicContact CG2-CB 3.69Å; L285-A339 HydrophobicContact CD2-CB 4.06Å; L285-A339 WeakPolarHBondContact CD2-O 3.43Å; L285-A339 HydrophobicContact CG-CB 4.17Å; I335-A339 PolarHBondContact O-N 3.21Å; I335-A339 VanDerWaalsContact O-N 3.16Å; V336-A339 WeakPolarHBondContact O-CB 3.36Å; V336-A339 PolarHBondContact O-N 3.14Å; A339-A343 WeakPolarHBondContact O-CB 3.49Å; A339-A343 PolarHBondContact O-N 2.72Å
340	E	98.3	Very high	98.5	Very high	75 Å²	75	41 Å²	41	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-43.8	179.9	-61.1	-175	155.2	0	0	112.5	Q288 K290 V336 K337 L338 A343 A344	Q288-E340 PolarHBondContact NE2-OE1 2.62Å; Q288-E340 PolarHBondContact OE1-OE1 2.94Å; K290-E340 IonicContact NZ-OE1 3.75Å; V336-E340 HydrophobicContact CG1-CG 4.31Å; V336-E340 WeakPolarHBondContact O-CG 3.44Å; V336-E340 PolarHBondContact O-N 2.92Å; K337-E340 PolarHBondContact O-N 3.31Å; L338-E340 VanDerWaalsContact C-N 3.31Å; L338-E340 PolarHBondContact O-N 3.46Å; E340-A343 PolarHBondContact O-N 3.09Å; E340-A344 VanDerWaalsContact O-CB 3.31Å; E340-A344 WeakPolarHBondContact O-CB 3.33Å; E340-A344 PolarHBondContact O-N 3.39Å
341	L	98	Very high	98.5	Very high	51 Å²	51	40.9 Å²	40.9	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-47.9	177.8	-179.5	69.3	0	0	0	111.3	V209 I247 K337 L338 A344 N345	V209-L341 HydrophobicContact CG1-CD2 4.23Å; V209-L341 HydrophobicContact CG2-CD1 4.12Å; V209-L341 HydrophobicContact CG2-CD2 4.4Å; V209-L341 HydrophobicContact CG2-CG 4.09Å; I247-L341 HydrophobicContact CD1-CD2 3.96Å; I247-L341 HydrophobicContact CG1-CD2 4.06Å; K337-L341 VanDerWaalsContact O-CB 3.25Å; K337-L341 WeakPolarHBondContact O-CB 3.38Å; K337-L341 PolarHBondContact O-N 2.94Å; L338-L341 PolarHBondContact O-N 3.1Å; L341-A344 PolarHBondContact O-N 2.98Å; L341-N345 WeakPolarHBondContact O-CB 3.36Å; L341-N345 PolarHBondContact O-N 2.81Å; L341-N345 PolarHBondContact O-ND2 3.35Å
342	M	98.3	Very high	98.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-39.2	-178.4	-65.8	-178.6	-166.2	0	0	111.9	V211 I281 L338 T347 L349 L375	V211-M342 HydrophobicContact CG1-CE 4.26Å; V211-M342 HydrophobicContact CG2-CE 3.79Å; I281-M342 HydrophobicContact CD1-CE 4.37Å; L338-M342 HydrophobicContact CB-CE 4.26Å; L338-M342 HydrophobicContact CD2-CE 4.14Å; L338-M342 WeakPolarHBondContact O-CB 3.5Å; L338-M342 VanDerWaalsContact O-CG 3.23Å; L338-M342 WeakPolarHBondContact O-CG 3.46Å; L338-M342 PolarHBondContact O-N 3.48Å; M342-T347 WeakPolarHBondContact CA-OG1 3.47Å; M342-T347 HydrophobicContact CB-CG2 4.34Å; M342-T347 HydrophobicContact CG-CG2 4.05Å; M342-T347 PolarHBondContact O-OG1 3.47Å; M342-L349 HydrophobicContact SD-CD2 4.17Å; M342-L375 HydrophobicContact CB-CD1 4.11Å; M342-L375 HydrophobicContact CB-CD2 3.88Å
343	A	98.1	Very high	98.5	Very high	30 Å²	30	32.7 Å²	32.7	25%	0.248	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-36.7	177.7	0	0	0	0	0	113.1	L285 K290 A339 E340 N345	L285-A343 HydrophobicContact CD2-CB 3.7Å; K290-A343 HydrophobicContact CB-CB 3.93Å; K290-A343 HydrophobicContact CD-CB 3.98Å; K290-A343 HydrophobicContact CG-CB 4.41Å; A339-A343 WeakPolarHBondContact O-CB 3.49Å; A339-A343 PolarHBondContact O-N 2.72Å; E340-A343 PolarHBondContact O-N 3.09Å; A343-N345 VanDerWaalsContact C-N 3.29Å; A343-N345 PolarHBondContact O-N 3.33Å
344	A	98.1	Very high	98.4	Very high	79 Å²	79	30 Å²	30	65%	0.653	16%	0.164	S	C	*	.	H	α-helix	trans	-77.5	-11.8	-177	0	0	0	0	0	113.9	E340 L341	E340-A344 VanDerWaalsContact O-CB 3.31Å; E340-A344 WeakPolarHBondContact O-CB 3.33Å; E340-A344 PolarHBondContact O-N 3.39Å; L341-A344 PolarHBondContact O-N 2.98Å
345	N	98.5	Very high	98.4	Very high	52 Å²	52	28.1 Å²	28.1	28%	0.278	16%	0.156	S	C	.	.	S	Bend	trans	-133	152.4	-168	-69.2	-78	0	0	0	112.6	Q208 V209 L341 A343 T347 Q377	Q208-N345 HydrophobicContact CB-CB 4.05Å; V209-N345 HydrophobicContact CG2-CB 3.78Å; L341-N345 WeakPolarHBondContact O-CB 3.36Å; L341-N345 PolarHBondContact O-N 2.81Å; L341-N345 PolarHBondContact O-ND2 3.35Å; A343-N345 VanDerWaalsContact C-N 3.29Å; A343-N345 PolarHBondContact O-N 3.33Å; N345-T347 PolarHBondContact O-N 3.13Å; N345-T347 VanDerWaalsContact O-N 3.08Å; N345-T347 PolarHBondContact O-OG1 2.9Å; N345-Q377 PolarHBondContact O-NE2 3.34Å; N345-Q377 PolarHBondContact O-OE1 3.25Å
346	R	98.7	Very high	98.4	Very high	84 Å²	84	28.1 Å²	28.1	32%	0.317	16%	0.156	S	C	.	.			trans	-64.8	109	164.6	-179.1	58.1	60	90.3	-2	108.5	N206 Q208 V209 T380 P381 G382 G383	N206-R346 WeakPolarHBondContact O-CG 3.39Å; Q208-R346 HydrophobicContact CG-CB 4.31Å; Q208-R346 PolarHBondContact N-O 2.88Å; V209-R346 PolarHBondContact N-O 2.66Å; V209-R346 VanDerWaalsContact N-O 3.14Å; R346-T380 PolarHBondContact NE-OG1 2.97Å; R346-T380 PolarHBondContact NH1-OG1 3.05Å; R346-T380 VanDerWaalsContact NH1-OG1 3.09Å; R346-P381 PolarHBondContact NH1-O 2.73Å; R346-G382 WeakPolarHBondContact CG-O 3.48Å; R346-G383 VanDerWaalsContact CD-CA 3.43Å
347	T	98.8	Very high	98.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.7	-168.7	-59.8	0	0	0	0	110.4	V209 V211 M342 N345 L349 Q377 G383 G384	V209-T347 HydrophobicContact CB-CG2 4.45Å; V209-T347 HydrophobicContact CG1-CG2 4.48Å; V209-T347 WeakPolarHBondContact O-CA 3.47Å; V211-T347 HydrophobicContact CG2-CG2 3.85Å; M342-T347 WeakPolarHBondContact CA-OG1 3.47Å; M342-T347 HydrophobicContact CB-CG2 4.34Å; M342-T347 HydrophobicContact CG-CG2 4.05Å; M342-T347 PolarHBondContact O-OG1 3.47Å; N345-T347 PolarHBondContact O-N 3.13Å; N345-T347 VanDerWaalsContact O-N 3.08Å; N345-T347 PolarHBondContact O-OG1 2.9Å; T347-L349 HydrophobicContact CG2-CD2 3.89Å; T347-Q377 PolarHBondContact O-OE1 3.46Å; T347-G383 WeakPolarHBondContact O-CA 3.44Å; T347-G384 PolarHBondContact O-N 2.91Å
348	M	98.8	Very high	98.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119	170.4	178.2	52.4	75.6	0	0	110.1	I203 V209 V211 M350 G383 Y389	I203-M348 HydrophobicContact CD1-CE 3.44Å; I203-M348 VanDerWaalsContact CD1-CE 3.44Å; I203-M348 HydrophobicContact CD1-CG 4.27Å; V209-M348 PolarHBondContact O-N 3.33Å; V211-M348 PolarHBondContact N-O 2.85Å; M348-M350 HydrophobicContact CG-CE 3.73Å; M348-M350 HydrophobicContact CG-CG 3.88Å; M348-G383 WeakPolarHBondContact CE-O 3.47Å; M348-Y389 HydrophobicContact CG-CE2 4.43Å; M348-Y389 HydrophobicContact SD-CE2 4.2Å
349	L	98.9	Very high	98.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	101.2	175.3	-57.1	-178.8	0	0	0	110.3	V211 M342 T347 L368 L371 A372 L375 G384 F385 G386	V211-L349 HydrophobicContact CB-CD2 3.71Å; V211-L349 HydrophobicContact CG1-CD2 4.25Å; V211-L349 HydrophobicContact CG2-CD2 3.65Å; M342-L349 HydrophobicContact SD-CD2 4.17Å; T347-L349 HydrophobicContact CG2-CD2 3.89Å; L349-L368 HydrophobicContact CB-CD2 3.89Å; L349-L368 HydrophobicContact CD1-CD2 3.95Å; L349-L368 HydrophobicContact CD1-CG 4.41Å; L349-L371 HydrophobicContact CD1-CD2 4.42Å; L349-L371 HydrophobicContact CD1-CG 4.4Å; L349-A372 HydrophobicContact CD1-CB 4.09Å; L349-L375 HydrophobicContact CD1-CD1 4.32Å; L349-G384 PolarHBondContact N-O 3.08Å; L349-F385 HydrophobicContact CB-CB 4.2Å; L349-F385 CarbonylContact O-C 3.57Å; L349-F385 WeakPolarHBondContact O-CA 3.32Å; L349-G386 PolarHBondContact O-N 3.37Å
350	M	98.8	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.8	175.1	-54.3	-172.7	176.3	0	0	109.3	W200 I203 V210 V211 L212 W213 M215 F236 M348 G386 Y389	W200-M350 HydrophobicContact CH2-CE 3.77Å; W200-M350 HydrophobicContact CH2-SD 4.05Å; W200-M350 HydrophobicContact CZ3-CE 3.91Å; I203-M350 HydrophobicContact CG2-CE 3.84Å; V210-M350 HydrophobicContact CG1-CE 3.83Å; V210-M350 HydrophobicContact CG1-CG 4.15Å; V210-M350 HydrophobicContact CG1-SD 3.81Å; V211-M350 WeakPolarHBondContact O-CA 3.38Å; V211-M350 PolarHBondContact O-N 2.81Å; V211-M350 VanDerWaalsContact O-O 3.14Å; L212-M350 HydrophobicContact CD2-CB 4.1Å; L212-M350 HydrophobicContact CD2-CG 4.42Å; L212-M350 HydrophobicContact CD2-SD 3.94Å; W213-M350 PolarHBondContact N-O 3.17Å; M215-M350 HydrophobicContact CE-CB 4Å; M215-M350 VanDerWaalsContact SD-C 3.55Å; M215-M350 HydrophobicContact SD-CB 3.52Å; M215-M350 VanDerWaalsContact SD-CB 3.52Å; F236-M350 HydrophobicContact CZ-SD 4.36Å; M348-M350 HydrophobicContact CG-CE 3.73Å; M348-M350 HydrophobicContact CG-CG 3.88Å; M350-G386 WeakPolarHBondContact CA-O 3.45Å; M350-Y389 HydrophobicContact CB-CD2 4.16Å; M350-Y389 HydrophobicContact CE-CD1 4.26Å; M350-Y389 HydrophobicContact CE-CD2 3.92Å; M350-Y389 HydrophobicContact CE-CE1 4.38Å; M350-Y389 HydrophobicContact CE-CE2 4.03Å; M350-Y389 HydrophobicContact CE-CG 4.03Å; M350-Y389 HydrophobicContact CG-CD2 3.57Å; M350-Y389 HydrophobicContact CG-CE2 4.13Å; M350-Y389 HydrophobicContact CG-CG 4.2Å; M350-Y389 HydrophobicContact SD-CD1 4.5Å; M350-Y389 HydrophobicContact SD-CD2 3.77Å; M350-Y389 HydrophobicContact SD-CE2 4.45Å; M350-Y389 HydrophobicContact SD-CG 3.79Å
351	A	98.8	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.5	-178.5	0	0	0	0	0	112.4	W213 L368 G386 F387 H390	W213-A351 HydrophobicContact CB-CB 4.41Å; W213-A351 WeakPolarHBondContact O-CA 3.4Å; A351-L368 HydrophobicContact CB-CD1 3.4Å; A351-L368 VanDerWaalsContact CB-CD1 3.4Å; A351-G386 PolarHBondContact N-O 2.81Å; A351-F387 HydrophobicContact CB-CD1 3.64Å; A351-F387 HydrophobicContact CB-CE1 3.8Å; A351-H390 PolarHBondContact O-CE1 3.23Å; A351-H390 VanDerWaalsContact O-CE1 3.28Å; A351-H390 PolarHBondContact O-ND1 3.13Å
352	G	98.4	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.			trans	-79.4	175.5	171.1	0	0	0	0	0	112.9	W213 G214 H365 H390	W213-G352 PolarHBondContact O-N 3.01Å; G214-G352 WeakPolarHBondContact O-CA 3.29Å; G352-H365 PolarHBondContact O-CE1 3.2Å; G352-H365 PolarHBondContact O-NE2 3.1Å; G352-H390 VanDerWaalsContact CA-CE1 3.43Å; G352-H390 WeakPolarHBondContact CA-CE1 3.19Å
353	W	98.5	Very high	98.3	Very high	18 Å²	18	19 Å²	19	7%	0.068	11%	0.109	C	C	.	.	S	Bend	trans	-100.1	2.2	174.6	-52.8	-27.9	0	0	0	114	S176 T177 V193 Y194 I355 Q356 F387 H390 Y391	S176-W353 WeakPolarHBondContact O-CB 3.31Å; T177-W353 HydrophobicContact CG2-CB 4.5Å; T177-W353 HydrophobicContact CG2-CD2 3.36Å; T177-W353 HydrophobicContact CG2-CE3 3.6Å; T177-W353 HydrophobicContact CG2-CG 3.77Å; T177-W353 HydrophobicContact CG2-CH2 4.11Å; T177-W353 HydrophobicContact CG2-CZ2 3.97Å; T177-W353 HydrophobicContact CG2-CZ3 3.95Å; V193-W353 HydrophobicContact CB-CZ2 4.27Å; V193-W353 VanDerWaalsContact O-CZ2 3.24Å; V193-W353 WeakPolarHBondContact O-CZ2 3.4Å; Y194-W353 AromaticContact CD1-CH2 3.85Å; Y194-W353 HydrophobicContact CD1-CH2 3.85Å; Y194-W353 HydrophobicContact CD1-CZ2 4.26Å; Y194-W353 AromaticContact CE1-CH2 3.41Å; Y194-W353 HydrophobicContact CE1-CH2 3.41Å; Y194-W353 VanDerWaalsContact CE1-CH2 3.41Å; Y194-W353 HydrophobicContact CE1-CZ2 4.07Å; Y194-W353 AromaticContact CE1-CZ3 3.92Å; Y194-W353 HydrophobicContact CE1-CZ3 3.92Å; W353-I355 VanDerWaalsContact C-N 3.34Å; W353-I355 PolarHBondContact O-N 2.94Å; W353-Q356 HydrophobicContact CB-CG 4.49Å; W353-Q356 PolarHBondContact O-NE2 3.33Å; W353-F387 PolarHBondContact NE1-O 3.42Å; W353-H390 AromaticContact CD1-CE1 3.5Å; W353-H390 VanDerWaalsContact CD1-CE1 3.5Å; W353-H390 AromaticContact CD1-NE2 3.65Å; W353-H390 AromaticContact CD2-CE1 3.78Å; W353-H390 AromaticContact CD2-NE2 3.33Å; W353-H390 VanDerWaalsContact CD2-NE2 3.33Å; W353-H390 AromaticContact CE2-CE1 3.52Å; W353-H390 AromaticContact CE2-NE2 3.54Å; W353-H390 AromaticContact CE3-NE2 3.88Å; W353-H390 AromaticContact CG-CE1 3.76Å; W353-H390 AromaticContact CG-NE2 3.41Å; W353-H390 PolarHBondContact N-NE2 2.95Å; W353-H390 AromaticContact NE1-CE1 3.33Å; W353-H390 PolarHBondContact NE1-CE1 2.73Å; W353-H390 VanDerWaalsContact NE1-CE1 3.33Å; W353-H390 AromaticContact NE1-NE2 3.71Å; W353-Y391 AromaticContact CH2-CD1 3.42Å; W353-Y391 HydrophobicContact CH2-CD1 3.42Å; W353-Y391 VanDerWaalsContact CH2-CD1 3.42Å; W353-Y391 AromaticContact CH2-CD2 3.48Å; W353-Y391 HydrophobicContact CH2-CD2 3.48Å; W353-Y391 VanDerWaalsContact CH2-CD2 3.48Å; W353-Y391 AromaticContact CH2-CE1 3.96Å; W353-Y391 HydrophobicContact CH2-CE1 3.96Å; W353-Y391 HydrophobicContact CH2-CE2 4.01Å; W353-Y391 AromaticContact CH2-CG 3.11Å; W353-Y391 HydrophobicContact CH2-CG 3.11Å; W353-Y391 HydrophobicContact CZ2-CD1 4.17Å; W353-Y391 AromaticContact CZ2-CG 3.96Å; W353-Y391 HydrophobicContact CZ2-CG 3.96Å; W353-Y391 HydrophobicContact CZ3-CD1 4.28Å; W353-Y391 AromaticContact CZ3-CD2 3.47Å; W353-Y391 HydrophobicContact CZ3-CD2 3.47Å; W353-Y391 VanDerWaalsContact CZ3-CD2 3.47Å; W353-Y391 AromaticContact CZ3-CE2 3.94Å; W353-Y391 HydrophobicContact CZ3-CE2 3.94Å; W353-Y391 AromaticContact CZ3-CG 3.64Å; W353-Y391 HydrophobicContact CZ3-CG 3.64Å
354	G	97.1	Very high	98.3	Very high	23 Å²	23	17.7 Å²	17.7	24%	0.237	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-42.5	177.2	0	0	0	0	0	112.6	Q356 R357 N783	G354-Q356 PolarHBondContact O-N 3.33Å; G354-R357 PolarHBondContact O-N 2.75Å; G354-N783 PolarHBondContact O-ND2 2.82Å
355	I	97.4	Very high	98.4	Very high	9 Å²	9	14 Å²	14	5%	0.046	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.7	-173.8	63.1	-178.8	0	0	0	113.5	W353 Q358 K364	W353-I355 VanDerWaalsContact C-N 3.34Å; W353-I355 PolarHBondContact O-N 2.94Å; I355-Q358 PolarHBondContact O-OE1 3.05Å; I355-K364 HydrophobicContact CB-CB 4.34Å; I355-K364 HydrophobicContact CB-CG 4.23Å; I355-K364 HydrophobicContact CD1-CB 3.88Å; I355-K364 HydrophobicContact CG1-CB 3.88Å; I355-K364 HydrophobicContact CG1-CG 4.29Å; I355-K364 WeakPolarHBondContact O-CG 3.4Å
356	Q	98.1	Very high	98.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.6	179.6	70.2	79.8	48.9	0	0	113.7	S176 T177 A179 A180 W353 G354 Q358 G361 H365	S176-Q356 PolarHBondContact O-NE2 3.09Å; T177-Q356 VanDerWaalsContact C-OE1 3.28Å; T177-Q356 PolarHBondContact O-OE1 3.43Å; A179-Q356 HydrophobicContact CB-CB 4.47Å; A179-Q356 VanDerWaalsContact CB-OE1 3.23Å; A180-Q356 HydrophobicContact CB-CG 4.02Å; A180-Q356 VanDerWaalsContact N-OE1 3.17Å; W353-Q356 HydrophobicContact CB-CG 4.49Å; W353-Q356 PolarHBondContact O-NE2 3.33Å; G354-Q356 PolarHBondContact O-N 3.33Å; Q356-Q358 PolarHBondContact O-N 3.03Å; Q356-Q358 VanDerWaalsContact O-N 3.09Å; Q356-G361 WeakPolarHBondContact CB-O 3.33Å; Q356-G361 WeakPolarHBondContact O-CA 3.37Å; Q356-H365 WeakPolarHBondContact CB-ND1 3.49Å
357	R	98.2	Very high	98.4	Very high	28 Å²	28	7.5 Å²	7.5	11%	0.106	4%	0.038	C	C	.	.	S	Bend	trans	-85.5	41.6	173.3	-62.1	-173	-67.2	149.3	-5.1	111.6	Y175 G354 H676 C780 A781 G782 N783	Y175-R357 WeakPolarHBondContact O-CD 3.34Å; G354-R357 PolarHBondContact O-N 2.75Å; R357-H676 PolarHBondContact NH1-NE2 3.4Å; R357-H676 PolarHBondContact NH2-CD2 3.32Å; R357-H676 VanDerWaalsContact NH2-CD2 3.28Å; R357-H676 PolarHBondContact NH2-NE2 3.21Å; R357-C780 CarbonylContact C-O 3.56Å; R357-C780 WeakPolarHBondContact CA-O 3.4Å; R357-A781 CarbonylContact O-C 3.59Å; R357-A781 WeakPolarHBondContact O-CA 3.1Å; R357-G782 PolarHBondContact O-N 2.84Å; R357-N783 HydrophobicContact CB-CB 4.26Å; R357-N783 PolarHBondContact NE-ND2 3.38Å; R357-N783 PolarHBondContact NH2-ND2 2.78Å; R357-N783 VanDerWaalsContact O-CB 3.3Å; R357-N783 WeakPolarHBondContact O-CB 3.38Å; R357-N783 PolarHBondContact O-N 2.94Å
358	Q	97.3	Very high	98.4	Very high	12 Å²	12	7.5 Å²	7.5	6%	0.056	4%	0.038	C	C	.	.	S	Bend	trans	-134.2	167.5	-178.9	-64.9	-179.9	-28	0	0	108.3	I355 Q356 Y360 G361 N783	I355-Q358 PolarHBondContact O-OE1 3.05Å; Q356-Q358 PolarHBondContact O-N 3.03Å; Q356-Q358 VanDerWaalsContact O-N 3.09Å; Q358-Y360 PolarHBondContact O-N 2.66Å; Q358-G361 PolarHBondContact O-N 3.17Å; Q358-G361 VanDerWaalsContact O-N 3.08Å; Q358-N783 HydrophobicContact CG-CB 3.91Å; Q358-N783 PolarHBondContact NE2-O 2.79Å
359	Q	98	Very high	98.4	Very high	25 Å²	25	7.4 Å²	7.4	12%	0.117	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.4	172.1	-162.1	176.5	18.4	0	0	109.8	G361 P658 D659 I771	Q359-G361 PolarHBondContact O-N 3.12Å; Q359-P658 HydrophobicContact CB-CB 4.37Å; Q359-D659 PolarHBondContact NE2-OD2 3.11Å; Q359-D659 PolarHBondContact OE1-OD2 3.43Å; Q359-I771 HydrophobicContact CB-CD1 4.4Å; Q359-I771 HydrophobicContact CG-CD1 4.25Å
360	Y	98.5	Very high	98.4	Very high	35 Å²	35	7.4 Å²	7.4	14%	0.137	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	33.7	-173.5	-37.8	-57.7	0	0	0	113.7	Q358 E362 Q363 D648 L656 A657 S773	Q358-Y360 PolarHBondContact O-N 2.66Å; Y360-E362 VanDerWaalsContact C-OE2 3.28Å; Y360-E362 WeakPolarHBondContact CA-OE2 3.36Å; Y360-E362 PolarHBondContact O-N 2.97Å; Y360-E362 VanDerWaalsContact O-N 3.12Å; Y360-Q363 WeakPolarHBondContact O-CB 3.43Å; Y360-Q363 WeakPolarHBondContact O-CG 3.33Å; Y360-Q363 PolarHBondContact O-N 3.23Å; Y360-D648 HydrophobicContact CD1-CB 4.12Å; Y360-D648 WeakPolarHBondContact CD1-O 3.48Å; Y360-D648 HydrophobicContact CE1-CB 3.72Å; Y360-L656 HydrophobicContact CD1-CB 4.39Å; Y360-L656 HydrophobicContact CD1-CD1 3.75Å; Y360-L656 HydrophobicContact CD2-CB 3.44Å; Y360-L656 VanDerWaalsContact CD2-CB 3.44Å; Y360-L656 HydrophobicContact CD2-CD1 4.3Å; Y360-L656 HydrophobicContact CE1-CD1 4.16Å; Y360-L656 HydrophobicContact CE2-CB 3.69Å; Y360-L656 HydrophobicContact CG-CB 3.82Å; Y360-L656 HydrophobicContact CG-CD1 3.82Å; Y360-L656 HydrophobicContact CG-CG 4.47Å; Y360-A657 WeakPolarHBondContact CE2-O 3.29Å; Y360-S773 WeakPolarHBondContact CA-O 3.45Å; Y360-S773 PolarHBondContact N-O 3.3Å
361	G	98.3	Very high	98.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.4	-178.6	0	0	0	0	0	114.8	Q356 Q358 Q359 Q363 K364	Q356-G361 WeakPolarHBondContact CB-O 3.33Å; Q356-G361 WeakPolarHBondContact O-CA 3.37Å; Q358-G361 PolarHBondContact O-N 3.17Å; Q358-G361 VanDerWaalsContact O-N 3.08Å; Q359-G361 PolarHBondContact O-N 3.12Å; G361-Q363 PolarHBondContact O-N 2.67Å; G361-K364 PolarHBondContact O-N 3.03Å
362	E	98.8	Very high	98.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.6	-35.5	176.2	-58.9	83.1	171.6	0	0	111.6	A179 I183 Y360 K364 W366 S773 S774 L776 A777	A179-E362 HydrophobicContact CB-CG 3.95Å; I183-E362 HydrophobicContact CB-CB 3.95Å; I183-E362 HydrophobicContact CB-CG 4.29Å; I183-E362 HydrophobicContact CG1-CB 4.18Å; I183-E362 HydrophobicContact CG2-CB 4.15Å; Y360-E362 VanDerWaalsContact C-OE2 3.28Å; Y360-E362 WeakPolarHBondContact CA-OE2 3.36Å; Y360-E362 PolarHBondContact O-N 2.97Å; Y360-E362 VanDerWaalsContact O-N 3.12Å; E362-K364 VanDerWaalsContact C-N 3.27Å; E362-K364 PolarHBondContact O-N 3.05Å; E362-W366 WeakPolarHBondContact O-CB 3.45Å; E362-W366 PolarHBondContact O-N 3.01Å; E362-S773 WeakPolarHBondContact OE1-CB 3.26Å; E362-S773 PolarHBondContact OE1-OG 3.01Å; E362-S774 WeakPolarHBondContact OE1-CB 3.23Å; E362-S774 PolarHBondContact OE1-N 3.02Å; E362-S774 PolarHBondContact OE1-OG 3.25Å; E362-S774 PolarHBondContact OE2-OG 3.08Å; E362-L776 HydrophobicContact CG-CD2 4.23Å; E362-A777 HydrophobicContact CG-CB 4.21Å; E362-A777 WeakPolarHBondContact OE1-CB 3.38Å; E362-A777 PolarHBondContact OE1-N 2.87Å
363	Q	98.8	Very high	98.4	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-68.2	-26.3	-177.1	-54.6	-57	-44.3	0	0	112.3	V275 Y360 G361 M367 C649	V275-Q363 HydrophobicContact CG2-CB 3.92Å; V275-Q363 WeakPolarHBondContact CG2-O 3.3Å; Y360-Q363 WeakPolarHBondContact O-CB 3.43Å; Y360-Q363 WeakPolarHBondContact O-CG 3.33Å; Y360-Q363 PolarHBondContact O-N 3.23Å; G361-Q363 PolarHBondContact O-N 2.67Å; Q363-M367 WeakPolarHBondContact O-CB 3.33Å; Q363-M367 PolarHBondContact O-N 3.36Å; Q363-C649 PolarHBondContact NE2-SG 2.82Å
364	K	98.4	Very high	98.5	Very high	3 Å²	3	6.6 Å²	6.6	1%	0.013	4%	0.035	C	C	.	.	H	α-helix	trans	-70	-57.5	-170.8	-47.8	-49.2	-175.9	-174.3	0	111.9	G272 V275 I355 G361 E362 W366 L368	G272-K364 PolarHBondContact O-NZ 2.78Å; V275-K364 HydrophobicContact CG2-CD 3.5Å; V275-K364 VanDerWaalsContact CG2-CD 3.5Å; I355-K364 HydrophobicContact CB-CB 4.34Å; I355-K364 HydrophobicContact CB-CG 4.23Å; I355-K364 HydrophobicContact CD1-CB 3.88Å; I355-K364 HydrophobicContact CG1-CB 3.88Å; I355-K364 HydrophobicContact CG1-CG 4.29Å; I355-K364 WeakPolarHBondContact O-CG 3.4Å; G361-K364 PolarHBondContact O-N 3.03Å; E362-K364 VanDerWaalsContact C-N 3.27Å; E362-K364 PolarHBondContact O-N 3.05Å; K364-W366 VanDerWaalsContact C-N 3.35Å; K364-L368 PolarHBondContact O-N 3.12Å; K364-L368 VanDerWaalsContact O-N 3.12Å
365	H	98.7	Very high	98.5	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-70.2	-32.6	178.7	-68	92.8	0	0	0	111.7	M184 G352 Q356 L368 V369 F387	M184-H365 HydrophobicContact CE-CB 3.93Å; M184-H365 HydrophobicContact SD-CB 4.37Å; G352-H365 PolarHBondContact O-CE1 3.2Å; G352-H365 PolarHBondContact O-NE2 3.1Å; Q356-H365 WeakPolarHBondContact CB-ND1 3.49Å; H365-L368 PolarHBondContact O-N 3.22Å; H365-V369 WeakPolarHBondContact O-CG2 3.38Å; H365-V369 PolarHBondContact O-N 3.34Å; H365-F387 HydrophobicContact CB-CE2 4.04Å; H365-F387 HydrophobicContact CB-CZ 4.09Å; H365-F387 AromaticContact CD2-CD1 3.61Å; H365-F387 AromaticContact CD2-CD2 3.91Å; H365-F387 AromaticContact CD2-CE1 3.6Å; H365-F387 AromaticContact CD2-CE2 3.91Å; H365-F387 AromaticContact CD2-CG 3.77Å; H365-F387 AromaticContact CD2-CZ 3.76Å
366	W	98.9	Very high	98.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.1	-45.6	175.3	-170.3	9.3	0	0	0	112.7	I183 M184 V187 E362 K364 L368 V369 T370 E635 I636 L641 P650 A651 P653	I183-W366 HydrophobicContact CD1-CD2 4.19Å; I183-W366 HydrophobicContact CD1-CE3 3.76Å; I183-W366 HydrophobicContact CD1-CZ3 3.98Å; I183-W366 HydrophobicContact CG1-CB 4.16Å; I183-W366 HydrophobicContact CG1-CD2 4.27Å; I183-W366 HydrophobicContact CG1-CE3 4.09Å; I183-W366 HydrophobicContact CG1-CG 4.37Å; M184-W366 HydrophobicContact CE-CB 4.28Å; V187-W366 HydrophobicContact CG1-CG 4.49Å; V187-W366 HydrophobicContact CG2-CB 4.31Å; V187-W366 HydrophobicContact CG2-CD2 3.95Å; V187-W366 HydrophobicContact CG2-CG 3.63Å; E362-W366 WeakPolarHBondContact O-CB 3.45Å; E362-W366 PolarHBondContact O-N 3.01Å; K364-W366 VanDerWaalsContact C-N 3.35Å; W366-L368 VanDerWaalsContact C-N 3.29Å; W366-L368 PolarHBondContact O-N 2.98Å; W366-V369 PolarHBondContact O-N 3.34Å; W366-T370 PolarHBondContact O-N 3.48Å; W366-T370 PolarHBondContact O-OG1 3.35Å; W366-E635 PolarHBondContact NE1-O 2.94Å; W366-I636 WeakPolarHBondContact CZ2-O 3.4Å; W366-L641 HydrophobicContact CH2-CD1 3.44Å; W366-L641 VanDerWaalsContact CH2-CD1 3.44Å; W366-L641 HydrophobicContact CZ2-CD1 4.24Å; W366-L641 HydrophobicContact CZ3-CD1 3.73Å; W366-P650 WeakPolarHBondContact CH2-O 2.91Å; W366-P650 VanDerWaalsContact CZ3-O 3.26Å; W366-P650 WeakPolarHBondContact CZ3-O 3.21Å; W366-A651 VanDerWaalsContact CH2-O 3.27Å; W366-A651 WeakPolarHBondContact CH2-O 3.5Å; W366-A651 WeakPolarHBondContact CZ2-O 3.4Å; W366-P653 HydrophobicContact CB-CG 4.37Å; W366-P653 HydrophobicContact CD2-CB 4.46Å; W366-P653 HydrophobicContact CD2-CG 3.76Å; W366-P653 HydrophobicContact CE3-CG 4.43Å; W366-P653 HydrophobicContact CG-CB 4.43Å; W366-P653 HydrophobicContact CG-CG 3.67Å
367	M	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.8	-34.7	175.2	-172.8	57.8	-142.6	0	0	111.7	V275 M278 L279 A282 F306 Q363 T370 L371 P653	V275-M367 HydrophobicContact CG1-CB 4.44Å; V275-M367 HydrophobicContact CG1-CG 4.33Å; V275-M367 HydrophobicContact CG2-CB 4.16Å; M278-M367 HydrophobicContact CB-CE 4.1Å; M278-M367 HydrophobicContact CB-CG 3.5Å; M278-M367 VanDerWaalsContact CB-CG 3.5Å; M278-M367 HydrophobicContact CG-CG 4.27Å; M278-M367 HydrophobicContact SD-CB 3.84Å; M278-M367 HydrophobicContact SD-CG 3.82Å; L279-M367 HydrophobicContact CD2-CE 3.93Å; L279-M367 HydrophobicContact CD2-SD 3.7Å; L279-M367 HydrophobicContact CG-CE 4.32Å; L279-M367 HydrophobicContact CG-SD 4.07Å; A282-M367 HydrophobicContact CB-CE 3.78Å; F306-M367 HydrophobicContact CE2-CE 4.49Å; F306-M367 HydrophobicContact CE2-SD 3.92Å; F306-M367 HydrophobicContact CZ-CE 3.73Å; F306-M367 HydrophobicContact CZ-SD 3.76Å; Q363-M367 WeakPolarHBondContact O-CB 3.33Å; Q363-M367 PolarHBondContact O-N 3.36Å; M367-T370 HydrophobicContact CE-CG2 4.37Å; M367-T370 WeakPolarHBondContact O-CB 3.45Å; M367-T370 PolarHBondContact O-N 2.89Å; M367-T370 HydrophobicContact SD-CG2 4.46Å; M367-L371 PolarHBondContact O-N 2.62Å; M367-P653 HydrophobicContact CB-CB 3.86Å; M367-P653 HydrophobicContact CG-CB 4.34Å; M367-P653 HydrophobicContact SD-CB 3.71Å; M367-P653 HydrophobicContact SD-CG 4.31Å
368	L	98.9	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66.4	-43.6	176.3	-165.6	160.2	0	0	0	112.1	W213 M278 L349 A351 K364 H365 W366 T370 L371 A372 F385 F387	W213-L368 HydrophobicContact CE3-CD1 4.42Å; M278-L368 HydrophobicContact CE-CB 3.91Å; M278-L368 HydrophobicContact CE-CD1 3.98Å; M278-L368 HydrophobicContact CE-CG 4.22Å; M278-L368 HydrophobicContact SD-CB 3.92Å; L349-L368 HydrophobicContact CB-CD2 3.89Å; L349-L368 HydrophobicContact CD1-CD2 3.95Å; L349-L368 HydrophobicContact CD1-CG 4.41Å; A351-L368 HydrophobicContact CB-CD1 3.4Å; A351-L368 VanDerWaalsContact CB-CD1 3.4Å; K364-L368 PolarHBondContact O-N 3.12Å; K364-L368 VanDerWaalsContact O-N 3.12Å; H365-L368 PolarHBondContact O-N 3.22Å; W366-L368 VanDerWaalsContact C-N 3.29Å; W366-L368 PolarHBondContact O-N 2.98Å; L368-T370 VanDerWaalsContact C-N 3.25Å; L368-T370 PolarHBondContact O-N 3.24Å; L368-L371 PolarHBondContact O-N 3.46Å; L368-A372 WeakPolarHBondContact O-CB 3.39Å; L368-A372 PolarHBondContact O-N 2.64Å; L368-F385 HydrophobicContact CD2-CB 3.64Å; L368-F385 HydrophobicContact CD2-CG 4.37Å; L368-F387 HydrophobicContact CD1-CE1 4.15Å; L368-F387 HydrophobicContact CD2-CE1 3.71Å; L368-F387 HydrophobicContact CD2-CZ 4.06Å; L368-F387 HydrophobicContact CG-CE1 4.38Å
369	V	98.9	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.2	-40.9	172	174.1	0	0	0	0	110.6	M184 V187 V188 H365 W366 A372 A373 F385 F387 I634	M184-V369 HydrophobicContact CE-CG2 4.44Å; M184-V369 HydrophobicContact SD-CG2 4.04Å; V187-V369 HydrophobicContact CG1-CB 4.25Å; V187-V369 HydrophobicContact CG1-CG1 3.91Å; V188-V369 HydrophobicContact CG1-CG1 3.89Å; V188-V369 HydrophobicContact CG1-CG2 4.45Å; H365-V369 WeakPolarHBondContact O-CG2 3.38Å; H365-V369 PolarHBondContact O-N 3.34Å; W366-V369 PolarHBondContact O-N 3.34Å; V369-A372 PolarHBondContact O-N 3.19Å; V369-A373 WeakPolarHBondContact O-CB 3.41Å; V369-A373 PolarHBondContact O-N 3.5Å; V369-F385 HydrophobicContact CB-CE1 4.44Å; V369-F385 HydrophobicContact CG1-CE1 4.08Å; V369-F385 HydrophobicContact CG1-CZ 4.44Å; V369-F385 HydrophobicContact CG2-CD1 4.3Å; V369-F385 HydrophobicContact CG2-CD2 4.36Å; V369-F385 HydrophobicContact CG2-CE1 3.92Å; V369-F385 HydrophobicContact CG2-CE2 3.99Å; V369-F385 HydrophobicContact CG2-CZ 3.76Å; V369-F387 HydrophobicContact CG2-CE2 3.97Å; V369-F387 HydrophobicContact CG2-CZ 3.81Å; V369-I634 HydrophobicContact CG1-CG2 3.76Å
370	T	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.7	-45.3	177	-58.8	0	0	0	0	111.5	F306 W366 M367 L368 A372 A373 M374 I636 P653	F306-T370 HydrophobicContact CD1-CG2 4.05Å; F306-T370 HydrophobicContact CE1-CG2 3.71Å; F306-T370 HydrophobicContact CE2-CG2 4.32Å; F306-T370 HydrophobicContact CG-CG2 4.5Å; F306-T370 HydrophobicContact CZ-CG2 3.87Å; W366-T370 PolarHBondContact O-N 3.48Å; W366-T370 PolarHBondContact O-OG1 3.35Å; M367-T370 HydrophobicContact CE-CG2 4.37Å; M367-T370 WeakPolarHBondContact O-CB 3.45Å; M367-T370 PolarHBondContact O-N 2.89Å; M367-T370 HydrophobicContact SD-CG2 4.46Å; L368-T370 VanDerWaalsContact C-N 3.25Å; L368-T370 PolarHBondContact O-N 3.24Å; T370-A372 PolarHBondContact O-N 3.09Å; T370-A373 WeakPolarHBondContact O-CB 3.47Å; T370-A373 PolarHBondContact O-N 3.35Å; T370-M374 WeakPolarHBondContact O-CG 3.5Å; T370-M374 PolarHBondContact O-N 2.97Å; T370-I636 HydrophobicContact CG2-CD1 4.19Å; T370-I636 HydrophobicContact CG2-CG1 4.19Å; T370-I636 HydrophobicContact CG2-CG2 3.87Å; T370-P653 WeakPolarHBondContact OG1-CG 3.34Å
371	L	98.9	Very high	98.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.1	-43.1	174.1	177.4	60.3	0	0	0	111.8	W213 M278 I281 L285 L349 M367 L368 A373 M374 L375	W213-L371 HydrophobicContact CH2-CD2 4.47Å; W213-L371 HydrophobicContact CZ3-CD2 4.1Å; M278-L371 HydrophobicContact CB-CD2 4.43Å; M278-L371 HydrophobicContact CG-CD2 4.29Å; I281-L371 HydrophobicContact CB-CD1 4.37Å; I281-L371 HydrophobicContact CG2-CD1 3.68Å; I281-L371 HydrophobicContact CG2-CD2 4.26Å; L285-L371 HydrophobicContact CD1-CD1 3.73Å; L349-L371 HydrophobicContact CD1-CD2 4.42Å; L349-L371 HydrophobicContact CD1-CG 4.4Å; M367-L371 PolarHBondContact O-N 2.62Å; L368-L371 PolarHBondContact O-N 3.46Å; L371-A373 VanDerWaalsContact C-N 3.3Å; L371-A373 PolarHBondContact O-N 3.39Å; L371-M374 PolarHBondContact O-N 3.46Å; L371-L375 WeakPolarHBondContact O-CG 3.42Å; L371-L375 PolarHBondContact O-N 2.99Å
372	A	98.9	Very high	98.8	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.008	3%	0.034	C	C	.	.	H	α-helix	trans	-62.5	-36.6	175.9	0	0	0	0	0	112.3	L349 L368 V369 T370 L375 G376 I378 F385	L349-A372 HydrophobicContact CD1-CB 4.09Å; L368-A372 WeakPolarHBondContact O-CB 3.39Å; L368-A372 PolarHBondContact O-N 2.64Å; V369-A372 PolarHBondContact O-N 3.19Å; T370-A372 PolarHBondContact O-N 3.09Å; A372-L375 PolarHBondContact O-N 2.65Å; A372-G376 PolarHBondContact O-N 2.98Å; A372-I378 HydrophobicContact CB-CD1 3.92Å; A372-I378 HydrophobicContact CB-CG1 3.93Å; A372-F385 HydrophobicContact CB-CB 4.23Å; A372-F385 HydrophobicContact CB-CD1 3.84Å; A372-F385 HydrophobicContact CB-CG 4.47Å
373	A	98.9	Very high	98.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.9	-40.2	175.1	0	0	0	0	0	111.7	F295 L296 T300 V369 T370 L371 L375 G376 I378	F295-A373 HydrophobicContact CD1-CB 4.26Å; F295-A373 VanDerWaalsContact CD1-O 3.27Å; F295-A373 WeakPolarHBondContact CD1-O 3.15Å; F295-A373 HydrophobicContact CE1-CB 3.93Å; L296-A373 HydrophobicContact CD2-CB 4.28Å; T300-A373 HydrophobicContact CG2-CB 3.99Å; V369-A373 WeakPolarHBondContact O-CB 3.41Å; V369-A373 PolarHBondContact O-N 3.5Å; T370-A373 WeakPolarHBondContact O-CB 3.47Å; T370-A373 PolarHBondContact O-N 3.35Å; L371-A373 VanDerWaalsContact C-N 3.3Å; L371-A373 PolarHBondContact O-N 3.39Å; A373-L375 VanDerWaalsContact C-N 3.27Å; A373-L375 PolarHBondContact O-N 2.64Å; A373-G376 WeakPolarHBondContact O-CA 3.41Å; A373-G376 PolarHBondContact O-N 3.08Å; A373-I378 HydrophobicContact CB-CD1 4.06Å
374	M	98.9	Very high	98.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.4	-32.1	173.6	-69.3	-179.8	75.7	0	0	112.6	A282 L285 M286 H291 D292 L296 Y303 F306 L310 T370 L371 G376	A282-M374 HydrophobicContact CB-CE 3.98Å; A282-M374 HydrophobicContact CB-SD 3.55Å; A282-M374 VanDerWaalsContact CB-SD 3.55Å; A282-M374 VanDerWaalsContact O-CE 3.29Å; A282-M374 WeakPolarHBondContact O-CE 3.2Å; L285-M374 HydrophobicContact CD1-CB 4.47Å; M286-M374 HydrophobicContact CB-CE 4.29Å; H291-M374 CarbonylContact C-O 3.32Å; H291-M374 WeakPolarHBondContact CA-O 2.98Å; H291-M374 HydrophobicContact CB-CB 4.25Å; H291-M374 HydrophobicContact CB-CE 4.14Å; D292-M374 PolarHBondContact N-O 3.1Å; L296-M374 HydrophobicContact CD1-CG 4.42Å; L296-M374 HydrophobicContact CD2-CG 4.22Å; Y303-M374 HydrophobicContact CE2-CE 4.12Å; Y303-M374 HydrophobicContact CE2-CG 4.02Å; Y303-M374 HydrophobicContact CE2-SD 4.2Å; F306-M374 HydrophobicContact CE1-SD 4.07Å; L310-M374 HydrophobicContact CD2-CE 4.11Å; T370-M374 WeakPolarHBondContact O-CG 3.5Å; T370-M374 PolarHBondContact O-N 2.97Å; L371-M374 PolarHBondContact O-N 3.46Å; M374-G376 VanDerWaalsContact C-N 3.29Å
375	L	98.8	Very high	98.8	Very high	15 Å²	15	6.1 Å²	6.1	8%	0.079	4%	0.039	C	C	.	.	H	α-helix	trans	-72.6	-20.9	172.1	-69.2	169.5	0	0	0	112.9	L285 M342 L349 L371 A372 A373 Q377	L285-L375 HydrophobicContact CD1-CD2 3.84Å; L285-L375 HydrophobicContact CD1-CG 4.25Å; L285-L375 HydrophobicContact CD2-CD2 4.26Å; M342-L375 HydrophobicContact CB-CD1 4.11Å; M342-L375 HydrophobicContact CB-CD2 3.88Å; L349-L375 HydrophobicContact CD1-CD1 4.32Å; L371-L375 WeakPolarHBondContact O-CG 3.42Å; L371-L375 PolarHBondContact O-N 2.99Å; A372-L375 PolarHBondContact O-N 2.65Å; A373-L375 VanDerWaalsContact C-N 3.27Å; A373-L375 PolarHBondContact O-N 2.64Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-Q377 HydrophobicContact CB-CG 4.45Å; L375-Q377 WeakPolarHBondContact O-CG 3.27Å; L375-Q377 PolarHBondContact O-N 2.83Å
376	G	98.7	Very high	98.8	Very high	2 Å²	2	6.1 Å²	6.1	2%	0.021	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	9.7	174.8	0	0	0	0	0	116.3	A372 A373 M374 R619	A372-G376 PolarHBondContact O-N 2.98Å; A373-G376 WeakPolarHBondContact O-CA 3.41Å; A373-G376 PolarHBondContact O-N 3.08Å; M374-G376 VanDerWaalsContact C-N 3.29Å; G376-R619 PolarHBondContact O-NH1 2.94Å; G376-R619 PolarHBondContact O-NH2 2.92Å; G376-R619 VanDerWaalsContact O-NH2 3.13Å
377	Q	98.8	Very high	98.8	Very high	23 Å²	23	6.1 Å²	6.1	11%	0.107	4%	0.039	C	C	.	.			trans	-101.7	-1	-167.8	-55.7	-178.9	12.6	0	0	114.8	N345 T347 L375 G379 T380 G383 G384	N345-Q377 PolarHBondContact O-NE2 3.34Å; N345-Q377 PolarHBondContact O-OE1 3.25Å; T347-Q377 PolarHBondContact O-OE1 3.46Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-Q377 HydrophobicContact CB-CG 4.45Å; L375-Q377 WeakPolarHBondContact O-CG 3.27Å; L375-Q377 PolarHBondContact O-N 2.83Å; Q377-G379 PolarHBondContact O-N 3.42Å; Q377-T380 WeakPolarHBondContact O-CB 3.47Å; Q377-T380 WeakPolarHBondContact O-CG2 3.32Å; Q377-T380 PolarHBondContact O-N 3Å; Q377-T380 PolarHBondContact O-OG1 3.02Å; Q377-G383 CarbonylContact O-C 3.36Å; Q377-G383 VanDerWaalsContact O-C 3.32Å; Q377-G384 PolarHBondContact O-N 3.37Å
378	I	98.9	Very high	98.7	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	132	177.4	-62.4	170.6	0	0	0	110.1	F295 A372 A373 F385 Y615 R619 I634	F295-I378 HydrophobicContact CE1-CB 4.47Å; F295-I378 HydrophobicContact CE1-CD1 4.18Å; F295-I378 HydrophobicContact CE2-CB 4.27Å; F295-I378 HydrophobicContact CZ-CB 3.73Å; F295-I378 HydrophobicContact CZ-CD1 4.2Å; F295-I378 HydrophobicContact CZ-CG1 4.39Å; F295-I378 HydrophobicContact CZ-CG2 4.37Å; A372-I378 HydrophobicContact CB-CD1 3.92Å; A372-I378 HydrophobicContact CB-CG1 3.93Å; A373-I378 HydrophobicContact CB-CD1 4.06Å; I378-F385 HydrophobicContact CD1-CD1 4.11Å; I378-F385 HydrophobicContact CD1-CE1 3.95Å; I378-F385 HydrophobicContact CG1-CD1 4.09Å; I378-F385 HydrophobicContact CG1-CE1 4.23Å; I378-F385 HydrophobicContact CG2-CE1 4.49Å; I378-Y615 HydrophobicContact CG2-CD2 3.97Å; I378-Y615 HydrophobicContact CG2-CG 3.97Å; I378-R619 WeakPolarHBondContact O-CD 3.41Å; I378-R619 PolarHBondContact O-NH1 3.21Å; I378-I634 HydrophobicContact CD1-CD1 3.67Å; I378-I634 HydrophobicContact CG2-CD1 4.45Å
379	G	98.7	Very high	98.7	Very high	9 Å²	9	6.1 Å²	6.1	9%	0.093	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	13.3	-179	0	0	0	0	0	114.9	Q377 R614 Y615 R619	Q377-G379 PolarHBondContact O-N 3.42Å; G379-R614 WeakPolarHBondContact CA-O 3.42Å; G379-Y615 WeakPolarHBondContact CA-O 3.24Å; G379-R619 WeakPolarHBondContact O-CD 3.5Å
380	T	98.7	Very high	98.7	Very high	11 Å²	11	6.7 Å²	6.7	7%	0.067	4%	0.041	C	C	.	.	S	Bend	trans	-105.2	150.5	174.2	68.6	0	0	0	0	111.5	R346 Q377 G382 G383 R619	R346-T380 PolarHBondContact NE-OG1 2.97Å; R346-T380 PolarHBondContact NH1-OG1 3.05Å; R346-T380 VanDerWaalsContact NH1-OG1 3.09Å; Q377-T380 WeakPolarHBondContact O-CB 3.47Å; Q377-T380 WeakPolarHBondContact O-CG2 3.32Å; Q377-T380 PolarHBondContact O-N 3Å; Q377-T380 PolarHBondContact O-OG1 3.02Å; T380-G382 PolarHBondContact O-N 2.97Å; T380-G383 PolarHBondContact O-N 2.82Å; T380-G383 VanDerWaalsContact O-N 3.11Å; T380-R619 VanDerWaalsContact CG2-CZ 3.46Å; T380-R619 VanDerWaalsContact CG2-NE 3.31Å
381	P	98.5	Very high	98.7	Very high	48 Å²	48	8.2 Å²	8.2	31%	0.312	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	121	174.6	-23.7	33.1	0	0	0	111.1	N206 R346 G383 V613	N206-P381 HydrophobicContact CB-CB 4.09Å; N206-P381 WeakPolarHBondContact CB-O 3.31Å; R346-P381 PolarHBondContact NH1-O 2.73Å; P381-G383 VanDerWaalsContact C-N 3.31Å; P381-G383 PolarHBondContact O-N 3.12Å; P381-V613 HydrophobicContact CB-CG2 4.48Å; P381-V613 HydrophobicContact CG-CG2 4.18Å
382	G	98.3	Very high	98.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	9.2	-179	0	0	0	0	0	116.3	S207 R346 T380	S207-G382 VanDerWaalsContact OG-C 3.29Å; S207-G382 WeakPolarHBondContact OG-CA 3.5Å; S207-G382 PolarHBondContact OG-O 2.75Å; R346-G382 WeakPolarHBondContact CG-O 3.48Å; T380-G382 PolarHBondContact O-N 2.97Å
383	G	98.6	Very high	98.6	Very high	3 Å²	3	8.2 Å²	8.2	3%	0.031	5%	0.047	C	C	.	.			trans	-127	161.2	179.4	0	0	0	0	0	113.5	R346 T347 M348 Q377 T380 P381	R346-G383 VanDerWaalsContact CD-CA 3.43Å; T347-G383 WeakPolarHBondContact O-CA 3.44Å; M348-G383 WeakPolarHBondContact CE-O 3.47Å; Q377-G383 CarbonylContact O-C 3.36Å; Q377-G383 VanDerWaalsContact O-C 3.32Å; T380-G383 PolarHBondContact O-N 2.82Å; T380-G383 VanDerWaalsContact O-N 3.11Å; P381-G383 VanDerWaalsContact C-N 3.31Å; P381-G383 PolarHBondContact O-N 3.12Å
384	G	98.7	Very high	98.6	Very high	4 Å²	4	8.2 Å²	8.2	4%	0.041	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.7	-137.8	179.5	0	0	0	0	0	112	T347 L349 Q377	T347-G384 PolarHBondContact O-N 2.91Å; L349-G384 PolarHBondContact N-O 3.08Å; Q377-G384 PolarHBondContact O-N 3.37Å
385	F	98.8	Very high	98.5	Very high	10 Å²	10	8.2 Å²	8.2	4%	0.044	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.9	-178.6	68.8	-90.3	0	0	0	111.7	V188 E192 L349 L368 V369 A372 I378 F387 Y615	V188-F385 HydrophobicContact CG1-CZ 4.31Å; E192-F385 HydrophobicContact CG-CE2 3.89Å; L349-F385 HydrophobicContact CB-CB 4.2Å; L349-F385 CarbonylContact O-C 3.57Å; L349-F385 WeakPolarHBondContact O-CA 3.32Å; L368-F385 HydrophobicContact CD2-CB 3.64Å; L368-F385 HydrophobicContact CD2-CG 4.37Å; V369-F385 HydrophobicContact CB-CE1 4.44Å; V369-F385 HydrophobicContact CG1-CE1 4.08Å; V369-F385 HydrophobicContact CG1-CZ 4.44Å; V369-F385 HydrophobicContact CG2-CD1 4.3Å; V369-F385 HydrophobicContact CG2-CD2 4.36Å; V369-F385 HydrophobicContact CG2-CE1 3.92Å; V369-F385 HydrophobicContact CG2-CE2 3.99Å; V369-F385 HydrophobicContact CG2-CZ 3.76Å; A372-F385 HydrophobicContact CB-CB 4.23Å; A372-F385 HydrophobicContact CB-CD1 3.84Å; A372-F385 HydrophobicContact CB-CG 4.47Å; I378-F385 HydrophobicContact CD1-CD1 4.11Å; I378-F385 HydrophobicContact CD1-CE1 3.95Å; I378-F385 HydrophobicContact CG1-CD1 4.09Å; I378-F385 HydrophobicContact CG1-CE1 4.23Å; I378-F385 HydrophobicContact CG2-CE1 4.49Å; F385-F387 HydrophobicContact CB-CE1 4.32Å; F385-F387 HydrophobicContact CD2-CD1 4.16Å; F385-F387 HydrophobicContact CD2-CD2 4.18Å; F385-F387 AromaticContact CD2-CE1 3.66Å; F385-F387 HydrophobicContact CD2-CE1 3.66Å; F385-F387 AromaticContact CD2-CE2 3.67Å; F385-F387 HydrophobicContact CD2-CE2 3.67Å; F385-F387 HydrophobicContact CD2-CG 4.4Å; F385-F387 AromaticContact CD2-CZ 3.4Å; F385-F387 HydrophobicContact CD2-CZ 3.4Å; F385-F387 HydrophobicContact CE2-CD2 4.13Å; F385-F387 HydrophobicContact CE2-CE1 4.45Å; F385-F387 AromaticContact CE2-CE2 3.62Å; F385-F387 HydrophobicContact CE2-CE2 3.62Å; F385-F387 AromaticContact CE2-CZ 3.81Å; F385-F387 HydrophobicContact CE2-CZ 3.81Å; F385-F387 HydrophobicContact CG-CE1 4.32Å; F385-F387 HydrophobicContact CG-CZ 4.15Å; F385-Y615 HydrophobicContact CE1-CE2 4.12Å; F385-Y615 HydrophobicContact CE2-CE2 4.23Å; F385-Y615 HydrophobicContact CZ-CD2 4.39Å; F385-Y615 AromaticContact CZ-CE2 3.56Å; F385-Y615 HydrophobicContact CZ-CE2 3.56Å
386	G	98.7	Very high	98.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	135.2	169.5	0	0	0	0	0	112.9	L349 M350 A351	L349-G386 PolarHBondContact O-N 3.37Å; M350-G386 WeakPolarHBondContact CA-O 3.45Å; A351-G386 PolarHBondContact N-O 2.81Å
387	F	98.7	Very high	98.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-107.8	7	-174.3	-57.9	-28.2	0	0	0	114	M184 E192 V193 A351 W353 H365 L368 V369 F385 H390	M184-F387 HydrophobicContact SD-CD2 4.41Å; M184-F387 HydrophobicContact SD-CE2 3.72Å; E192-F387 HydrophobicContact CB-CD2 4.37Å; E192-F387 HydrophobicContact CG-CD2 3.54Å; E192-F387 HydrophobicContact CG-CE2 4.09Å; E192-F387 HydrophobicContact CG-CG 4.39Å; V193-F387 HydrophobicContact CG1-CB 4.28Å; A351-F387 HydrophobicContact CB-CD1 3.64Å; A351-F387 HydrophobicContact CB-CE1 3.8Å; W353-F387 PolarHBondContact NE1-O 3.42Å; H365-F387 HydrophobicContact CB-CE2 4.04Å; H365-F387 HydrophobicContact CB-CZ 4.09Å; H365-F387 AromaticContact CD2-CD1 3.61Å; H365-F387 AromaticContact CD2-CD2 3.91Å; H365-F387 AromaticContact CD2-CE1 3.6Å; H365-F387 AromaticContact CD2-CE2 3.91Å; H365-F387 AromaticContact CD2-CG 3.77Å; H365-F387 AromaticContact CD2-CZ 3.76Å; L368-F387 HydrophobicContact CD1-CE1 4.15Å; L368-F387 HydrophobicContact CD2-CE1 3.71Å; L368-F387 HydrophobicContact CD2-CZ 4.06Å; L368-F387 HydrophobicContact CG-CE1 4.38Å; V369-F387 HydrophobicContact CG2-CE2 3.97Å; V369-F387 HydrophobicContact CG2-CZ 3.81Å; F385-F387 HydrophobicContact CB-CE1 4.32Å; F385-F387 HydrophobicContact CD2-CD1 4.16Å; F385-F387 HydrophobicContact CD2-CD2 4.18Å; F385-F387 AromaticContact CD2-CE1 3.66Å; F385-F387 HydrophobicContact CD2-CE1 3.66Å; F385-F387 AromaticContact CD2-CE2 3.67Å; F385-F387 HydrophobicContact CD2-CE2 3.67Å; F385-F387 HydrophobicContact CD2-CG 4.4Å; F385-F387 AromaticContact CD2-CZ 3.4Å; F385-F387 HydrophobicContact CD2-CZ 3.4Å; F385-F387 HydrophobicContact CE2-CD2 4.13Å; F385-F387 HydrophobicContact CE2-CE1 4.45Å; F385-F387 AromaticContact CE2-CE2 3.62Å; F385-F387 HydrophobicContact CE2-CE2 3.62Å; F385-F387 AromaticContact CE2-CZ 3.81Å; F385-F387 HydrophobicContact CE2-CZ 3.81Å; F385-F387 HydrophobicContact CG-CE1 4.32Å; F385-F387 HydrophobicContact CG-CZ 4.15Å; F387-H390 PolarHBondContact O-CE1 3.39Å
388	S	98.5	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.05	C	C	.	.			trans	-130.2	9.8	178.7	-164.7	0	0	0	0	115.9	V193 H390 Y391 G394 Y520	V193-S388 WeakPolarHBondContact O-CB 3.38Å; S388-H390 PolarHBondContact O-N 3.41Å; S388-H390 VanDerWaalsContact O-N 3.11Å; S388-Y391 PolarHBondContact O-N 2.95Å; S388-Y391 VanDerWaalsContact O-N 3.09Å; S388-Y391 PolarHBondContact OG-O 3.34Å; S388-G394 WeakPolarHBondContact O-CA 3.39Å; S388-G394 PolarHBondContact O-N 3.34Å; S388-Y520 WeakPolarHBondContact CB-OH 3.48Å; S388-Y520 WeakPolarHBondContact OG-CE2 3.15Å; S388-Y520 VanDerWaalsContact OG-CZ 3.26Å; S388-Y520 PolarHBondContact OG-OH 3.29Å
389	Y	98.7	Very high	98.3	Very high	1 Å²	1	8.8 Å²	8.8	0%	0.004	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.7	175.7	-70.7	-69	0	0	0	114	Q197 T198 W200 I203 M348 M350 G394	Q197-Y389 HydrophobicContact CB-CD1 4.34Å; Q197-Y389 HydrophobicContact CB-CE1 3.77Å; Q197-Y389 HydrophobicContact CB-CE2 4.04Å; Q197-Y389 HydrophobicContact CG-CE2 4.48Å; T198-Y389 WeakPolarHBondContact CB-OH 3.23Å; T198-Y389 PolarHBondContact N-OH 3.14Å; T198-Y389 WeakPolarHBondContact O-CE1 3.34Å; T198-Y389 PolarHBondContact O-OH 3.06Å; W200-Y389 HydrophobicContact CD2-CD1 4.37Å; W200-Y389 HydrophobicContact CD2-CE1 4.42Å; W200-Y389 AromaticContact CE2-CD1 3.6Å; W200-Y389 HydrophobicContact CH2-CD1 4.29Å; W200-Y389 AromaticContact CZ2-CD1 3.55Å; W200-Y389 HydrophobicContact CZ2-CD1 3.55Å; W200-Y389 HydrophobicContact CZ2-CE1 4.34Å; W200-Y389 HydrophobicContact CZ2-CG 4.18Å; W200-Y389 AromaticContact NE1-CD1 3.73Å; I203-Y389 HydrophobicContact CG1-CE1 4.42Å; M348-Y389 HydrophobicContact CG-CE2 4.43Å; M348-Y389 HydrophobicContact SD-CE2 4.2Å; M350-Y389 HydrophobicContact CB-CD2 4.16Å; M350-Y389 HydrophobicContact CE-CD1 4.26Å; M350-Y389 HydrophobicContact CE-CD2 3.92Å; M350-Y389 HydrophobicContact CE-CE1 4.38Å; M350-Y389 HydrophobicContact CE-CE2 4.03Å; M350-Y389 HydrophobicContact CE-CG 4.03Å; M350-Y389 HydrophobicContact CG-CD2 3.57Å; M350-Y389 HydrophobicContact CG-CE2 4.13Å; M350-Y389 HydrophobicContact CG-CG 4.2Å; M350-Y389 HydrophobicContact SD-CD1 4.5Å; M350-Y389 HydrophobicContact SD-CD2 3.77Å; M350-Y389 HydrophobicContact SD-CE2 4.45Å; M350-Y389 HydrophobicContact SD-CG 3.79Å; Y389-G394 WeakPolarHBondContact CD1-O 3.3Å
390	H	98.3	Very high	98.2	Very high	11 Å²	11	9.5 Å²	9.5	5%	0.051	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-7.1	176.5	64.8	-73	0	0	0	114.4	M215 P217 T220 L221 A351 G352 W353 F387 S388	M215-H390 HydrophobicContact CB-CB 4.21Å; M215-H390 HydrophobicContact CE-CB 3.57Å; P217-H390 HydrophobicContact CB-CB 4.45Å; T220-H390 WeakPolarHBondContact CB-O 3.36Å; T220-H390 PolarHBondContact OG1-O 2.88Å; L221-H390 VanDerWaalsContact CD2-C 3.48Å; L221-H390 WeakPolarHBondContact CD2-O 3.45Å; A351-H390 PolarHBondContact O-CE1 3.23Å; A351-H390 VanDerWaalsContact O-CE1 3.28Å; A351-H390 PolarHBondContact O-ND1 3.13Å; G352-H390 VanDerWaalsContact CA-CE1 3.43Å; G352-H390 WeakPolarHBondContact CA-CE1 3.19Å; W353-H390 AromaticContact CD1-CE1 3.5Å; W353-H390 VanDerWaalsContact CD1-CE1 3.5Å; W353-H390 AromaticContact CD1-NE2 3.65Å; W353-H390 AromaticContact CD2-CE1 3.78Å; W353-H390 AromaticContact CD2-NE2 3.33Å; W353-H390 VanDerWaalsContact CD2-NE2 3.33Å; W353-H390 AromaticContact CE2-CE1 3.52Å; W353-H390 AromaticContact CE2-NE2 3.54Å; W353-H390 AromaticContact CE3-NE2 3.88Å; W353-H390 AromaticContact CG-CE1 3.76Å; W353-H390 AromaticContact CG-NE2 3.41Å; W353-H390 PolarHBondContact N-NE2 2.95Å; W353-H390 AromaticContact NE1-CE1 3.33Å; W353-H390 PolarHBondContact NE1-CE1 2.73Å; W353-H390 VanDerWaalsContact NE1-CE1 3.33Å; W353-H390 AromaticContact NE1-NE2 3.71Å; F387-H390 PolarHBondContact O-CE1 3.39Å; S388-H390 PolarHBondContact O-N 3.41Å; S388-H390 VanDerWaalsContact O-N 3.11Å
391	Y	98.5	Very high	98	Very high	33 Å²	33	9.2 Å²	9.2	13%	0.129	5%	0.053	C	C	.	.	S	Bend	trans	-119.7	129.1	-175	171.2	-100.3	0	0	0	110.4	W145 Y194 W225 W353 S388 N393 G394 Y520	W145-Y391 HydrophobicContact CH2-CE2 4.15Å; W145-Y391 HydrophobicContact CZ2-CE2 4.4Å; Y194-Y391 HydrophobicContact CD1-CD1 4.46Å; Y194-Y391 AromaticContact CD1-CE1 3.99Å; Y194-Y391 HydrophobicContact CD1-CE1 3.99Å; Y194-Y391 HydrophobicContact CE1-CE1 4.26Å; W225-Y391 WeakPolarHBondContact CB-OH 3.46Å; W353-Y391 AromaticContact CH2-CD1 3.42Å; W353-Y391 HydrophobicContact CH2-CD1 3.42Å; W353-Y391 VanDerWaalsContact CH2-CD1 3.42Å; W353-Y391 AromaticContact CH2-CD2 3.48Å; W353-Y391 HydrophobicContact CH2-CD2 3.48Å; W353-Y391 VanDerWaalsContact CH2-CD2 3.48Å; W353-Y391 AromaticContact CH2-CE1 3.96Å; W353-Y391 HydrophobicContact CH2-CE1 3.96Å; W353-Y391 HydrophobicContact CH2-CE2 4.01Å; W353-Y391 AromaticContact CH2-CG 3.11Å; W353-Y391 HydrophobicContact CH2-CG 3.11Å; W353-Y391 HydrophobicContact CZ2-CD1 4.17Å; W353-Y391 AromaticContact CZ2-CG 3.96Å; W353-Y391 HydrophobicContact CZ2-CG 3.96Å; W353-Y391 HydrophobicContact CZ3-CD1 4.28Å; W353-Y391 AromaticContact CZ3-CD2 3.47Å; W353-Y391 HydrophobicContact CZ3-CD2 3.47Å; W353-Y391 VanDerWaalsContact CZ3-CD2 3.47Å; W353-Y391 AromaticContact CZ3-CE2 3.94Å; W353-Y391 HydrophobicContact CZ3-CE2 3.94Å; W353-Y391 AromaticContact CZ3-CG 3.64Å; W353-Y391 HydrophobicContact CZ3-CG 3.64Å; S388-Y391 PolarHBondContact O-N 2.95Å; S388-Y391 VanDerWaalsContact O-N 3.09Å; S388-Y391 PolarHBondContact OG-O 3.34Å; Y391-N393 PolarHBondContact O-N 3.09Å; Y391-G394 PolarHBondContact O-N 2.9Å; Y391-Y520 HydrophobicContact CD1-CE2 4.08Å; Y391-Y520 WeakPolarHBondContact O-CE2 3.44Å
392	S	97.9	Very high	97.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	31	170.6	-55.8	0	0	0	0	115.1	A224 W225 D519 Y520	A224-S392 WeakPolarHBondContact CA-OG 3.48Å; W225-S392 PolarHBondContact N-OG 2.87Å; S392-D519 WeakPolarHBondContact CB-OD2 3.24Å; S392-Y520 WeakPolarHBondContact O-CD2 3.2Å
393	N	98	Very high	97.7	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	38	179.3	-45.3	-79.2	0	0	0	114.4	T228 D229 G232 Y391 G395 N396	T228-N393 PolarHBondContact OG1-ND2 3.18Å; D229-N393 WeakPolarHBondContact OD1-CB 3.15Å; D229-N393 PolarHBondContact OD1-ND2 3.11Å; D229-N393 VanDerWaalsContact OD1-ND2 3.11Å; G232-N393 VanDerWaalsContact CA-OD1 3.27Å; G232-N393 WeakPolarHBondContact CA-OD1 3.14Å; G232-N393 PolarHBondContact N-OD1 3.04Å; Y391-N393 PolarHBondContact O-N 3.09Å; N393-G395 PolarHBondContact O-N 2.51Å; N393-N396 HydrophobicContact CB-CB 4.37Å; N393-N396 VanDerWaalsContact O-CB 3.23Å; N393-N396 WeakPolarHBondContact O-CB 3.5Å; N393-N396 PolarHBondContact O-N 2.99Å
394	G	98.2	Very high	97.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	137.7	172.3	0	0	0	0	0	112.5	W200 S388 Y389 Y391 N396 Y520	W200-G394 PolarHBondContact NE1-O 2.81Å; S388-G394 WeakPolarHBondContact O-CA 3.39Å; S388-G394 PolarHBondContact O-N 3.34Å; Y389-G394 WeakPolarHBondContact CD1-O 3.3Å; Y391-G394 PolarHBondContact O-N 2.9Å; G394-N396 VanDerWaalsContact C-N 3.34Å; G394-Y520 VanDerWaalsContact CA-CD2 3.4Å
395	G	98.4	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-7.2	-172	0	0	0	0	0	114.3	Q196 S199 W200 N393 P397	Q196-G395 VanDerWaalsContact OE1-CA 3.3Å; S199-G395 WeakPolarHBondContact CA-O 3.45Å; W200-G395 PolarHBondContact N-O 3.19Å; N393-G395 PolarHBondContact O-N 2.51Å; G395-P397 WeakPolarHBondContact O-CD 3.32Å
396	N	98.2	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-70.8	121.4	169.4	-172.3	18.9	0	0	0	109.4	Q196 D229 Q231 Y235 N393 G394 T398 S521 Q523	Q196-N396 PolarHBondContact NE2-O 3Å; D229-N396 PolarHBondContact OD2-ND2 3.48Å; Q231-N396 HydrophobicContact CB-CB 4.45Å; Q231-N396 WeakPolarHBondContact CB-ND2 3.33Å; Q231-N396 VanDerWaalsContact CG-ND2 3.31Å; Q231-N396 WeakPolarHBondContact CG-ND2 3.49Å; Y235-N396 HydrophobicContact CE2-CB 4.04Å; Y235-N396 PolarHBondContact OH-OD1 2.71Å; Y235-N396 VanDerWaalsContact OH-OD1 3.1Å; N393-N396 HydrophobicContact CB-CB 4.37Å; N393-N396 VanDerWaalsContact O-CB 3.23Å; N393-N396 WeakPolarHBondContact O-CB 3.5Å; N393-N396 PolarHBondContact O-N 2.99Å; G394-N396 VanDerWaalsContact C-N 3.34Å; N396-T398 PolarHBondContact O-N 3.07Å; N396-S521 WeakPolarHBondContact ND2-CB 3.09Å; N396-S521 PolarHBondContact ND2-OG 2.85Å; N396-Q523 PolarHBondContact ND2-OE1 3.43Å
397	P	98.3	Very high	97.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-56.6	128.5	-174.5	-29.9	37.8	0	0	0	113.8	P201 Y235 G395 R399 E610	P201-P397 HydrophobicContact CG-CG 4.42Å; Y235-P397 WeakPolarHBondContact OH-CD 3.37Å; G395-P397 WeakPolarHBondContact O-CD 3.32Å; P397-R399 PolarHBondContact O-N 3.45Å; P397-E610 HydrophobicContact CB-CB 4.5Å; P397-E610 HydrophobicContact CB-CG 3.77Å; P397-E610 HydrophobicContact CG-CB 4.41Å; P397-E610 HydrophobicContact CG-CG 3.86Å
398	T	97.7	Very high	97.1	Very high	40 Å²	40	19.5 Å²	19.5	25%	0.245	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-60.1	128.6	177.9	-51.3	0	0	0	0	111.6	Q196 N396 Y520 N609	Q196-T398 PolarHBondContact NE2-OG1 2.95Å; Q196-T398 VanDerWaalsContact NE2-OG1 3.14Å; N396-T398 PolarHBondContact O-N 3.07Å; T398-Y520 PolarHBondContact OG1-O 3.47Å; T398-N609 WeakPolarHBondContact O-CB 3.36Å; T398-N609 PolarHBondContact O-ND2 3.3Å
399	R	96.5	Very high	96.8	Very high	13 Å²	13	20.4 Å²	20.4	5%	0.049	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-78.7	164	175.9	-58.6	-49.8	-174.7	-150	-2.4	111.5	P397 S521 Q523 M603 R604	P397-R399 PolarHBondContact O-N 3.45Å; R399-S521 WeakPolarHBondContact CB-O 3.4Å; R399-S521 WeakPolarHBondContact CG-O 3.5Å; R399-S521 PolarHBondContact N-O 3.36Å; R399-Q523 HydrophobicContact CG-CB 4.27Å; R399-Q523 HydrophobicContact CG-CG 4.27Å; R399-M603 HydrophobicContact CB-CB 3.53Å; R399-M603 HydrophobicContact CG-CB 4.1Å; R399-R604 CarbonylContact C-O 3.59Å; R399-R604 WeakPolarHBondContact CA-O 2.95Å; R399-R604 WeakPolarHBondContact CB-O 3.48Å
400	V	95.6	Very high	96.4	Very high	23 Å²	23	23.3 Å²	23.3	14%	0.139	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-106.1	124.6	173.6	170.7	0	0	0	0	107.7	Q584 V586 R604	V400-Q584 HydrophobicContact CG1-CB 3.86Å; V400-Q584 HydrophobicContact CG1-CG 4.43Å; V400-V586 HydrophobicContact CG1-CG2 4.04Å; V400-R604 PolarHBondContact N-O 3.29Å; V400-R604 PolarHBondContact O-N 2.83Å
401	G	94.1	Very high	95.7	Very high	6 Å²	6	23.4 Å²	23.4	6%	0.062	14%	0.144	C	C	.	.	S	Bend	trans	161.9	-163.6	-175	0	0	0	0	0	114.2	Q584	G401-Q584 PolarHBondContact O-NE2 3.48Å
402	G	94.4	Very high	94.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.166	C	C	.	.			trans	-80.2	133.2	179.1	0	0	0	0	0	111.2	A577 M603	G402-A577 WeakPolarHBondContact CA-O 3.22Å; G402-M603 PolarHBondContact N-SD 3.46Å
403	V	96.9	Very high	92.9	Very high	75 Å²	75	29.3 Å²	29.3	46%	0.455	21%	0.208	S	C	.	.			trans	-111.2	128.1	171.7	-177.9	0	0	0	0	107.5	N522 A577	V403-N522 HydrophobicContact CG2-CB 4.22Å; V403-A577 WeakPolarHBondContact O-CA 3.42Å; V403-A577 WeakPolarHBondContact O-CB 3.26Å
404	L	97.6	Very high	91.3	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	23%	0.227	C	C	.	.			trans	-67	126.9	176.5	-69.6	166.2	0	0	0	109.7	V150 L514 M516 I525 F573 A577	V150-L404 HydrophobicContact CG1-CB 4.09Å; V150-L404 HydrophobicContact CG1-CD1 4.27Å; L404-L514 HydrophobicContact CD1-CB 3.74Å; L404-L514 HydrophobicContact CD2-CD1 3.98Å; L404-M516 HydrophobicContact CB-CG 4.23Å; L404-M516 HydrophobicContact CB-SD 4.05Å; L404-M516 HydrophobicContact CD1-CG 4.36Å; L404-M516 HydrophobicContact CD1-SD 3.95Å; L404-M516 HydrophobicContact CG-SD 3.85Å; L404-I525 HydrophobicContact CD1-CG1 4.18Å; L404-I525 HydrophobicContact CD1-CG2 4.12Å; L404-I525 HydrophobicContact CD2-CD1 4.38Å; L404-I525 HydrophobicContact CG-CD1 4.14Å; L404-I525 HydrophobicContact CG-CG1 4.14Å; L404-F573 HydrophobicContact CD2-CB 4.41Å; L404-A577 HydrophobicContact CD2-CB 3.94Å; L404-A577 HydrophobicContact CG-CB 4.38Å
405	P	97	Very high	89.1	Confident	50 Å²	50	37.7 Å²	37.7	33%	0.325	26%	0.262	S	S	.	.			trans	-67.9	161.8	160.5	32.6	-34.8	0	0	0	109.8	F573 A576	P405-F573 WeakPolarHBondContact CD-O 3.38Å; P405-F573 HydrophobicContact CG-CB 4.14Å; P405-F573 HydrophobicContact CG-CD1 3.88Å; P405-F573 HydrophobicContact CG-CG 4.43Å; P405-A576 HydrophobicContact CG-CB 3.77Å
406	E	95.2	Very high	86.9	Confident	81 Å²	81	40.5 Å²	40.5	38%	0.379	28%	0.282	S	S	.	.			trans	-117	159.4	179.1	-53.9	-171.6	145.3	0	0	111.2	V150 K153	V150-E406 HydrophobicContact CB-CB 4.41Å; V150-E406 HydrophobicContact CB-CG 4.22Å; V150-E406 HydrophobicContact CG1-CG 3.99Å; K153-E406 HydrophobicContact CD-CB 4.06Å; K153-E406 WeakPolarHBondContact CE-OE2 3.39Å; K153-E406 IonicContact NZ-OE2 3.42Å; K153-E406 PolarHBondContact NZ-OE2 3.45Å
407	M	96.5	Very high	84.2	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.03	32%	0.315	C	S	.	.			trans	-54.9	139.7	170	-179.8	58.6	76.2	0	0	110.6	V150 L151 T156 L157 F542 W569 F573	V150-M407 VanDerWaalsContact O-CB 3.28Å; V150-M407 WeakPolarHBondContact O-CB 3.18Å; V150-M407 PolarHBondContact O-N 3.28Å; L151-M407 HydrophobicContact CD1-CE 3.32Å; T156-M407 WeakPolarHBondContact CG2-O 3.45Å; L157-M407 HydrophobicContact CD2-CG 3.74Å; M407-F542 HydrophobicContact CE-CE2 4.07Å; M407-W569 HydrophobicContact CE-CD2 3.83Å; M407-W569 HydrophobicContact CE-CE3 4.19Å; M407-W569 HydrophobicContact CE-CG 4.27Å; M407-W569 HydrophobicContact CE-CH2 4.36Å; M407-W569 HydrophobicContact CE-CZ2 4.01Å; M407-W569 HydrophobicContact CE-CZ3 4.44Å; M407-F573 HydrophobicContact CB-CZ 4.22Å; M407-F573 HydrophobicContact CE-CZ 4.27Å
408	S	94.9	Very high	81.7	Confident	60 Å²	60	47.9 Å²	47.9	42%	0.42	32%	0.316	S	S	.	.			trans	-108.3	146.6	-178.5	-177.2	0	0	0	0	111.7	R160 A410	R160-S408 PolarHBondContact NH1-O 3.45Å; S408-A410 PolarHBondContact O-N 3.37Å; S408-A410 PolarHBondContact OG-N 3.16Å
409	A	93	Very high	78.9	Confident	18 Å²	18	49.3 Å²	49.3	15%	0.149	33%	0.332	C	S	.	.	S	Bend	trans	-68.7	-21.9	167.3	0	0	0	0	0	112	T156 Q159 R160 N163	T156-A409 HydrophobicContact CG2-CB 4.21Å; Q159-A409 HydrophobicContact CB-CB 3.83Å; R160-A409 WeakPolarHBondContact CA-O 3.5Å; N163-A409 PolarHBondContact ND2-O 3.3Å
410	A	88.9	Confident	76	Confident	62 Å²	62	56.3 Å²	56.3	51%	0.512	37%	0.371	S	S	.	.	S	Bend	trans	-84	137.3	173.7	0	0	0	0	0	110.9	R160 S408	R160-A410 PolarHBondContact NH1-O 2.97Å; S408-A410 PolarHBondContact O-N 3.37Å; S408-A410 PolarHBondContact OG-N 3.16Å
411	I	84.5	Confident	73	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.072	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-96.3	128.1	176.9	-55.8	177.5	0	0	0	108.4	R160 L164 G413 Q414 I559 E562	R160-I411 HydrophobicContact CG-CD1 4.26Å; R160-I411 HydrophobicContact CG-CG1 3.86Å; L164-I411 HydrophobicContact CB-CD1 4Å; L164-I411 HydrophobicContact CD1-CD1 4.34Å; L164-I411 HydrophobicContact CD2-CD1 4.46Å; I411-G413 PolarHBondContact O-N 2.92Å; I411-Q414 HydrophobicContact CB-CB 4.22Å; I411-Q414 HydrophobicContact CB-CG 4.29Å; I411-Q414 HydrophobicContact CG2-CB 4.46Å; I411-Q414 HydrophobicContact CG2-CG 4.01Å; I411-Q414 PolarHBondContact O-N 3.03Å; I411-I559 HydrophobicContact CD1-CG2 4.41Å; I411-I559 HydrophobicContact CG2-CG2 4.12Å; I411-I559 WeakPolarHBondContact CG2-O 3.38Å; I411-E562 HydrophobicContact CG2-CG 4.37Å
412	A	74.6	Confident	70.3	Confident	72 Å²	72	62.9 Å²	62.9	60%	0.595	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	131.6	-177.7	0	0	0	0	0	111.8	Q414	A412-Q414 PolarHBondContact O-N 2.96Å
413	G	63.5	Low	67.8	Low	85 Å²	85	63 Å²	63	88%	0.876	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	1.8	178.3	0	0	0	0	0	115.4	I411	I411-G413 PolarHBondContact O-N 2.92Å
414	Q	64.3	Low	65.9	Low	89 Å²	89	63.8 Å²	63.8	42%	0.416	42%	0.42	S	S	.	.			trans	-106.3	119.8	171.7	-64	-70.1	-39.5	0	0	108.5	I411 A412 I559	I411-Q414 HydrophobicContact CB-CB 4.22Å; I411-Q414 HydrophobicContact CB-CG 4.29Å; I411-Q414 HydrophobicContact CG2-CB 4.46Å; I411-Q414 HydrophobicContact CG2-CG 4.01Å; I411-Q414 PolarHBondContact O-N 3.03Å; A412-Q414 PolarHBondContact O-N 2.96Å; Q414-I559 HydrophobicContact CG-CG2 4.13Å
415	A	50.9	Low	65	Low	87 Å²	87	65.7 Å²	65.7	72%	0.719	43%	0.432	S	S	*	.			trans	-64.3	137	163.3	0	0	0	0	0	107.4	E417	A415-E417 PolarHBondContact O-N 3.19Å
416	S	51.4	Low	64.7	Low	60 Å²	60	65.3 Å²	65.3	42%	0.42	43%	0.433	S	S	.	.			trans	-65.6	109.9	168.5	66.2	0	0	0	0	107	A418 A419	S416-A418 PolarHBondContact O-N 3.07Å; S416-A419 PolarHBondContact O-N 3.12Å
417	E	43.2	Very low	64.7	Low	152 Å²	152	61.6 Å²	61.6	71%	0.71	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-57.2	-16.2	176.4	-66.9	-174.7	168.7	0	0	112	A415 A419	A415-E417 PolarHBondContact O-N 3.19Å; E417-A419 VanDerWaalsContact C-N 3.28Å; E417-A419 PolarHBondContact O-N 3.5Å
418	A	45.3	Very low	64.7	Low	3 Å²	3	61.5 Å²	61.5	3%	0.025	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-75.4	3.8	179.4	0	0	0	0	0	116.3	S416 G423	S416-A418 PolarHBondContact O-N 3.07Å; A418-G423 CarbonylContact O-C 3.56Å; A418-G423 WeakPolarHBondContact O-CA 3.37Å; A418-G423 PolarHBondContact O-N 3.03Å
419	A	37.9	Very low	64.8	Low	70 Å²	70	59.3 Å²	59.3	58%	0.579	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-81.7	-23.2	-175.9	0	0	0	0	0	114.1	S416 E417	S416-A419 PolarHBondContact O-N 3.12Å; E417-A419 VanDerWaalsContact C-N 3.28Å; E417-A419 PolarHBondContact O-N 3.5Å
420	D	35.5	Very low	65	Low	161 Å²	161	58.5 Å²	58.5	86%	0.861	39%	0.393	S	S	*	.	S	Bend	trans	-107.7	-9.9	-163.8	-74.1	-19.8	0	0	0	115.5
421	D	33.7	Very low	65.4	Low	103 Å²	103	55.6 Å²	55.6	55%	0.551	37%	0.369	S	S	*	.	S	Bend	trans	-113.6	24.6	-174.5	60.2	-14.4	0	0	0	114.5	G423	D421-G423 WeakPolarHBondContact OD1-CA 3.39Å; D421-G423 PolarHBondContact OD1-N 2.76Å
422	G	36.5	Very low	66	Low	64 Å²	64	55.1 Å²	55.1	66%	0.66	37%	0.366	S	S	*	.	S	Bend	trans	73.4	17.5	-169.8	0	0	0	0	0	112.7	M424	G422-M424 VanDerWaalsContact C-N 3.31Å; G422-M424 PolarHBondContact O-N 3.37Å
423	G	41.9	Very low	67.1	Low	2 Å²	2	51.7 Å²	51.7	2%	0.021	34%	0.338	C	S	.	.			trans	-72.7	7.7	-156.9	0	0	0	0	0	119.1	A418 D421	A418-G423 CarbonylContact O-C 3.56Å; A418-G423 WeakPolarHBondContact O-CA 3.37Å; A418-G423 PolarHBondContact O-N 3.03Å; D421-G423 WeakPolarHBondContact OD1-CA 3.39Å; D421-G423 PolarHBondContact OD1-N 2.76Å
424	M	57	Low	68.7	Low	92 Å²	92	48.8 Å²	48.8	45%	0.453	30%	0.302	S	S	.	.			trans	-141.5	89	166.2	-76	-160.1	164.5	0	0	111.7	N163 Y168 G422	N163-M424 WeakPolarHBondContact OD1-CE 3.5Å; Y168-M424 HydrophobicContact CD1-CE 3.68Å; Y168-M424 HydrophobicContact CE1-CE 3.26Å; Y168-M424 HydrophobicContact CG-CE 4.5Å; G422-M424 VanDerWaalsContact C-N 3.31Å; G422-M424 PolarHBondContact O-N 3.37Å
425	T	79.2	Confident	70.3	Confident	49 Å²	49	44.5 Å²	44.5	30%	0.301	28%	0.282	S	S	.	.			trans	-79	130.4	166.1	47	0	0	0	0	109.9	S169 G170	S169-T425 CarbonylContact C-O 3.59Å; S169-T425 VanDerWaalsContact CA-O 3.24Å; S169-T425 WeakPolarHBondContact CA-O 3.43Å; S169-T425 PolarHBondContact OG-OG1 3.08Å; G170-T425 PolarHBondContact N-O 2.69Å
426	A	90.9	Very high	72.5	Confident	41 Å²	41	40.8 Å²	40.8	34%	0.339	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.5	172.7	0	0	0	0	0	109.3
427	I	95.3	Very high	74.8	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	149.8	169.9	61.3	175.8	0	0	0	109.5	F139 G170 H171 S172 V429 I432 A435 Y452 P453	F139-I427 HydrophobicContact CE2-CD1 4.13Å; F139-I427 HydrophobicContact CE2-CG1 4.27Å; G170-I427 PolarHBondContact O-N 3.37Å; H171-I427 CarbonylContact C-O 3.48Å; H171-I427 WeakPolarHBondContact CA-O 3.49Å; H171-I427 WeakPolarHBondContact CB-O 3.38Å; S172-I427 PolarHBondContact N-O 3.3Å; I427-V429 PolarHBondContact O-N 3.15Å; I427-I432 HydrophobicContact CD1-CB 4.18Å; I427-I432 HydrophobicContact CD1-CD1 3.91Å; I427-A435 HydrophobicContact CD1-CB 3.86Å; I427-A435 HydrophobicContact CG2-CB 4.44Å; I427-Y452 HydrophobicContact CG2-CD1 3.99Å; I427-Y452 HydrophobicContact CG2-CE1 4.43Å; I427-P453 HydrophobicContact CG2-CG 4.12Å
428	P	96.5	Very high	77.4	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	133.4	168.1	-21.9	31.4	0	0	0	109.5	A430 R431 Y443 H445 N778	P428-A430 PolarHBondContact O-N 2.89Å; P428-R431 HydrophobicContact CB-CG 3.82Å; P428-R431 HydrophobicContact CG-CG 4.15Å; P428-R431 WeakPolarHBondContact O-CB 3.29Å; P428-R431 PolarHBondContact O-N 2.97Å; P428-Y443 VanDerWaalsContact CD-OH 3.28Å; P428-Y443 WeakPolarHBondContact CD-OH 3.32Å; P428-Y443 HydrophobicContact CG-CE2 3.83Å; P428-H445 HydrophobicContact CG-CB 4.49Å; P428-N778 HydrophobicContact CB-CB 3.78Å; P428-N778 HydrophobicContact CG-CB 3.8Å
429	V	96.1	Very high	79.8	Confident	14 Å²	14	40 Å²	40	9%	0.085	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-53.7	-33.9	-165.7	71	0	0	0	0	114.3	Y143 H171 S172 Y175 I427 R431	Y143-V429 HydrophobicContact CD2-CG2 4Å; Y143-V429 HydrophobicContact CG-CG2 3.85Å; H171-V429 HydrophobicContact CB-CB 4.01Å; H171-V429 HydrophobicContact CB-CG2 4.09Å; S172-V429 WeakPolarHBondContact O-CB 3.49Å; S172-V429 PolarHBondContact O-N 3.29Å; Y175-V429 HydrophobicContact CD2-CG1 3.91Å; Y175-V429 HydrophobicContact CD2-CG2 3.92Å; Y175-V429 HydrophobicContact CE2-CB 4.36Å; Y175-V429 HydrophobicContact CE2-CG1 4.01Å; Y175-V429 HydrophobicContact CE2-CG2 3.62Å; Y175-V429 PolarHBondContact OH-O 2.8Å; I427-V429 PolarHBondContact O-N 3.15Å; V429-R431 VanDerWaalsContact C-N 3.28Å; V429-R431 PolarHBondContact O-N 2.86Å
430	A	97.4	Very high	82.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-80.9	-0.5	180	0	0	0	0	0	114.3	Y175 P428 H469 C780	Y175-A430 HydrophobicContact CE1-CB 4.09Å; Y175-A430 WeakPolarHBondContact OH-CA 3.49Å; P428-A430 PolarHBondContact O-N 2.89Å; A430-H469 PolarHBondContact O-CE1 3.33Å; A430-H469 VanDerWaalsContact O-CE1 3.3Å; A430-C780 HydrophobicContact CB-CB 4Å
431	R	97.5	Very high	85.5	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-102.9	16.1	-175.3	-55.3	-69.7	75.1	90.3	-8.3	113.9	P428 V429 V433 D434 A435 Y452 D770 I771 N778 A779	P428-R431 HydrophobicContact CB-CG 3.82Å; P428-R431 HydrophobicContact CG-CG 4.15Å; P428-R431 WeakPolarHBondContact O-CB 3.29Å; P428-R431 PolarHBondContact O-N 2.97Å; V429-R431 VanDerWaalsContact C-N 3.28Å; V429-R431 PolarHBondContact O-N 2.86Å; R431-V433 VanDerWaalsContact C-N 3.35Å; R431-V433 PolarHBondContact O-N 3.48Å; R431-D434 HydrophobicContact CB-CB 4.5Å; R431-D434 WeakPolarHBondContact CD-OD2 3.47Å; R431-D434 IonicContact NE-OD2 3.54Å; R431-D434 PolarHBondContact NE-OD2 2.88Å; R431-D434 PolarHBondContact O-N 2.9Å; R431-A435 WeakPolarHBondContact O-CB 3.36Å; R431-A435 PolarHBondContact O-N 3.09Å; R431-Y452 HydrophobicContact CB-CE1 3.94Å; R431-D770 IonicContact NH2-OD1 2.72Å; R431-D770 PolarHBondContact NH2-OD1 3.1Å; R431-I771 PolarHBondContact NH2-O 2.97Å; R431-I771 VanDerWaalsContact NH2-O 3.1Å; R431-N778 HydrophobicContact CG-CB 4.02Å; R431-N778 PolarHBondContact NH1-O 2.77Å; R431-A779 PolarHBondContact NH1-O 3.39Å
432	I	96.9	Very high	88.5	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-41	179.6	-176.2	60.5	0	0	0	112.6	F139 I427 A435 L436 I455 H469	F139-I432 HydrophobicContact CD1-CD1 4.21Å; F139-I432 HydrophobicContact CD2-CD1 4.09Å; F139-I432 HydrophobicContact CE1-CD1 4.15Å; F139-I432 HydrophobicContact CE2-CD1 4.03Å; F139-I432 HydrophobicContact CG-CD1 4.17Å; F139-I432 HydrophobicContact CZ-CD1 4.05Å; I427-I432 HydrophobicContact CD1-CB 4.18Å; I427-I432 HydrophobicContact CD1-CD1 3.91Å; I432-A435 PolarHBondContact O-N 2.83Å; I432-L436 HydrophobicContact CD1-CG 4.43Å; I432-L436 HydrophobicContact CG1-CD1 4.27Å; I432-L436 VanDerWaalsContact O-CG 3.28Å; I432-L436 WeakPolarHBondContact O-CG 3.26Å; I432-L436 PolarHBondContact O-N 2.73Å; I432-I455 HydrophobicContact CD1-CD1 3.65Å; I432-H469 VanDerWaalsContact CG2-CE1 3.46Å; I432-H469 WeakPolarHBondContact CG2-CE1 3.43Å
433	V	98.1	Very high	91.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-44.2	177	169.2	0	0	0	0	110.7	R431 A435 L436 E437 H469 R474 L475 A478	R431-V433 VanDerWaalsContact C-N 3.35Å; R431-V433 PolarHBondContact O-N 3.48Å; V433-A435 VanDerWaalsContact C-N 3.29Å; V433-A435 PolarHBondContact O-N 2.8Å; V433-L436 PolarHBondContact O-N 2.91Å; V433-E437 HydrophobicContact CG1-CG 4.33Å; V433-E437 WeakPolarHBondContact O-CB 3.41Å; V433-E437 WeakPolarHBondContact O-CG 3.33Å; V433-E437 PolarHBondContact O-N 2.72Å; V433-H469 WeakPolarHBondContact CG2-NE2 3.45Å; V433-R474 HydrophobicContact CG1-CG 3.76Å; V433-L475 HydrophobicContact CG2-CB 4.18Å; V433-L475 HydrophobicContact CG2-CD1 3.6Å; V433-A478 HydrophobicContact CB-CB 4.48Å; V433-A478 HydrophobicContact CG1-CB 3.97Å; V433-A478 HydrophobicContact CG2-CB 4.29Å
434	D	97.9	Very high	94	Very high	24 Å²	24	34.8 Å²	34.8	13%	0.128	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-40.8	175.6	-63.2	-39.8	0	0	0	112.1	R431 E437 N438 Y452 R474	R431-D434 HydrophobicContact CB-CB 4.5Å; R431-D434 WeakPolarHBondContact CD-OD2 3.47Å; R431-D434 IonicContact NE-OD2 3.54Å; R431-D434 PolarHBondContact NE-OD2 2.88Å; R431-D434 PolarHBondContact O-N 2.9Å; D434-E437 PolarHBondContact O-N 2.88Å; D434-N438 WeakPolarHBondContact O-CB 3.49Å; D434-N438 PolarHBondContact O-N 2.94Å; D434-N438 PolarHBondContact O-ND2 3.29Å; D434-N438 VanDerWaalsContact O-ND2 3.12Å; D434-Y452 HydrophobicContact CB-CE1 4.44Å; D434-Y452 HydrophobicContact CB-CE2 3.92Å; D434-R474 IonicContact OD1-CZ 3.93Å; D434-R474 IonicContact OD1-NH1 3.52Å; D434-R474 PolarHBondContact OD1-NH1 2.71Å; D434-R474 IonicContact OD1-NH2 2.92Å; D434-R474 PolarHBondContact OD1-NH2 3.29Å
435	A	97.2	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-42.8	177.5	0	0	0	0	0	112.8	I427 R431 I432 V433 E437 Y452 I455	I427-A435 HydrophobicContact CD1-CB 3.86Å; I427-A435 HydrophobicContact CG2-CB 4.44Å; R431-A435 WeakPolarHBondContact O-CB 3.36Å; R431-A435 PolarHBondContact O-N 3.09Å; I432-A435 PolarHBondContact O-N 2.83Å; V433-A435 VanDerWaalsContact C-N 3.29Å; V433-A435 PolarHBondContact O-N 2.8Å; A435-E437 VanDerWaalsContact C-N 3.3Å; A435-Y452 HydrophobicContact CB-CD1 3.54Å; A435-Y452 HydrophobicContact CB-CE1 4.16Å; A435-Y452 HydrophobicContact CB-CG 3.95Å; A435-I455 HydrophobicContact CB-CD1 4.28Å
436	L	98.1	Very high	96.8	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-36.7	173.9	-69.4	171.7	0	0	0	111.3	I432 V433 I455 I458 A478 W479 K481 P482	I432-L436 HydrophobicContact CD1-CG 4.43Å; I432-L436 HydrophobicContact CG1-CD1 4.27Å; I432-L436 VanDerWaalsContact O-CG 3.28Å; I432-L436 WeakPolarHBondContact O-CG 3.26Å; I432-L436 PolarHBondContact O-N 2.73Å; V433-L436 PolarHBondContact O-N 2.91Å; L436-I455 HydrophobicContact CD2-CB 3.97Å; L436-I455 HydrophobicContact CD2-CG2 4.1Å; L436-I458 HydrophobicContact CD1-CD1 4.29Å; L436-I458 HydrophobicContact CD2-CD1 4.35Å; L436-A478 HydrophobicContact CB-CB 4.09Å; L436-A478 HydrophobicContact CD1-CB 4.12Å; L436-W479 HydrophobicContact CD1-CE3 4.33Å; L436-K481 HydrophobicContact CB-CD 4.45Å; L436-K481 WeakPolarHBondContact O-CD 3.32Å; L436-K481 WeakPolarHBondContact O-CE 3.28Å; L436-K481 PolarHBondContact O-NZ 2.95Å; L436-K481 VanDerWaalsContact O-NZ 3.1Å; L436-P482 HydrophobicContact CD2-CG 3.81Å
437	E	98.1	Very high	97	Very high	54 Å²	54	31.4 Å²	31.4	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-74	-37.5	-178.1	-75.7	-174.8	164.9	0	0	113.3	V433 D434 A435 R474 A478 K481	V433-E437 HydrophobicContact CG1-CG 4.33Å; V433-E437 WeakPolarHBondContact O-CB 3.41Å; V433-E437 WeakPolarHBondContact O-CG 3.33Å; V433-E437 PolarHBondContact O-N 2.72Å; D434-E437 PolarHBondContact O-N 2.88Å; A435-E437 VanDerWaalsContact C-N 3.3Å; E437-R474 IonicContact OE1-NE 2.79Å; E437-R474 IonicContact OE2-CZ 3.57Å; E437-R474 IonicContact OE2-NE 2.62Å; E437-R474 PolarHBondContact OE2-NE 3.45Å; E437-R474 IonicContact OE2-NH2 3.32Å; E437-R474 PolarHBondContact OE2-NH2 2.81Å; E437-A478 HydrophobicContact CG-CB 4.18Å; E437-K481 VanDerWaalsContact CA-NZ 3.3Å; E437-K481 PolarHBondContact O-NZ 2.89Å; E437-K481 VanDerWaalsContact O-NZ 3.11Å
438	N	97.6	Very high	97.1	Very high	82 Å²	82	38.1 Å²	38.1	44%	0.439	21%	0.214	S	C	.	.	S	Bend	trans	-131.1	60.8	-167.9	-52	-78.3	0	0	0	112.5	D434 G440 G441	D434-N438 WeakPolarHBondContact O-CB 3.49Å; D434-N438 PolarHBondContact O-N 2.94Å; D434-N438 PolarHBondContact O-ND2 3.29Å; D434-N438 VanDerWaalsContact O-ND2 3.12Å; N438-G440 PolarHBondContact O-N 3.32Å; N438-G441 WeakPolarHBondContact O-CA 3.28Å; N438-G441 PolarHBondContact O-N 3.01Å
439	P	96.9	Very high	97	Very high	64 Å²	64	43.1 Å²	43.1	42%	0.416	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	130.6	176.6	27.4	-35.8	0	0	0	110.7	G441 N454	P439-G441 VanDerWaalsContact C-N 3.25Å; P439-G441 PolarHBondContact O-N 2.99Å; P439-N454 HydrophobicContact CB-CB 3.85Å
440	G	96.2	Very high	97	Very high	52 Å²	52	45.2 Å²	45.2	54%	0.536	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-3.7	-173	0	0	0	0	0	115	N438 Y452	N438-G440 PolarHBondContact O-N 3.32Å; G440-Y452 PolarHBondContact N-O 3.25Å
441	G	97.3	Very high	96.9	Very high	24 Å²	24	48.6 Å²	48.6	25%	0.247	27%	0.267	C	S	.	.			trans	-67	143.4	173.2	0	0	0	0	0	111.9	N438 P439 T451 Y452	N438-G441 WeakPolarHBondContact O-CA 3.28Å; N438-G441 PolarHBondContact O-N 3.01Å; P439-G441 VanDerWaalsContact C-N 3.25Å; P439-G441 PolarHBondContact O-N 2.99Å; G441-T451 CarbonylContact O-C 3.57Å; G441-T451 WeakPolarHBondContact O-CA 3.24Å; G441-Y452 PolarHBondContact O-N 3.03Å
442	K	97	Very high	96.8	Very high	141 Å²	141	49.5 Å²	49.5	61%	0.613	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	145.2	179.7	-67.9	176.5	163.6	-151.2	0	111.6	E449 Q450	K442-E449 HydrophobicContact CB-CG 4.29Å; K442-E449 HydrophobicContact CD-CG 4.45Å; K442-E449 WeakPolarHBondContact CD-OE1 3.41Å; K442-E449 WeakPolarHBondContact CE-OE1 3.45Å; K442-E449 IonicContact NZ-OE1 2.79Å; K442-E449 PolarHBondContact NZ-OE1 2.87Å; K442-Q450 CarbonylContact C-O 3.5Å; K442-Q450 VanDerWaalsContact CA-O 3.26Å; K442-Q450 WeakPolarHBondContact CA-O 3.47Å
443	Y	96.8	Very high	96.8	Very high	20 Å²	20	49.9 Å²	49.9	8%	0.078	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.3	174.9	67.8	-79.8	0	0	0	111.3	P428 H445 E449 Q450 Y452	P428-Y443 VanDerWaalsContact CD-OH 3.28Å; P428-Y443 WeakPolarHBondContact CD-OH 3.32Å; P428-Y443 HydrophobicContact CG-CE2 3.83Å; Y443-H445 HydrophobicContact CD2-CB 4.17Å; Y443-H445 HydrophobicContact CE2-CB 3.89Å; Y443-E449 CarbonylContact O-C 3.59Å; Y443-E449 WeakPolarHBondContact O-CA 3.3Å; Y443-Q450 HydrophobicContact CD1-CB 4.14Å; Y443-Q450 HydrophobicContact CD2-CB 4.45Å; Y443-Q450 HydrophobicContact CE1-CB 3.55Å; Y443-Q450 HydrophobicContact CE2-CB 3.92Å; Y443-Q450 VanDerWaalsContact CZ-CB 3.43Å; Y443-Q450 PolarHBondContact N-O 3.44Å; Y443-Q450 PolarHBondContact O-N 3.42Å; Y443-Q450 PolarHBondContact OH-OE1 2.89Å; Y443-Q450 VanDerWaalsContact OH-OE1 3.05Å; Y443-Y452 AromaticContact CD1-CD1 3.86Å; Y443-Y452 HydrophobicContact CD1-CD1 3.86Å; Y443-Y452 HydrophobicContact CD1-CD2 4.06Å; Y443-Y452 AromaticContact CD1-CE1 3.57Å; Y443-Y452 HydrophobicContact CD1-CE1 3.57Å; Y443-Y452 AromaticContact CD1-CE2 3.79Å; Y443-Y452 HydrophobicContact CD1-CE2 3.79Å; Y443-Y452 HydrophobicContact CD1-CG 4.09Å; Y443-Y452 AromaticContact CD1-CZ 3.53Å; Y443-Y452 AromaticContact CE1-CD1 3.55Å; Y443-Y452 HydrophobicContact CE1-CD1 3.55Å; Y443-Y452 AromaticContact CE1-CE1 3.46Å; Y443-Y452 HydrophobicContact CE1-CE1 3.46Å; Y443-Y452 VanDerWaalsContact CE1-CE1 3.46Å; Y443-Y452 HydrophobicContact CE1-CE2 4.46Å; Y443-Y452 HydrophobicContact CE1-CG 4.1Å; Y443-Y452 AromaticContact CE1-CZ 3.95Å; Y443-Y452 HydrophobicContact CG-CE1 4.18Å; Y443-Y452 HydrophobicContact CG-CE2 4.26Å; Y443-Y452 AromaticContact CG-CZ 3.84Å; Y443-Y452 AromaticContact CZ-CE1 3.96Å
444	Q	97	Very high	96.7	Very high	52 Å²	52	53.5 Å²	53.5	24%	0.243	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.2	173.5	-71.1	-65.6	-42.8	0	0	109.5	K448 Y646 Q775 N778	Q444-K448 CarbonylContact C-O 3.5Å; Q444-K448 WeakPolarHBondContact CA-O 3.42Å; Q444-Y646 HydrophobicContact CB-CE1 4.1Å; Q444-Y646 HydrophobicContact CG-CE1 4.11Å; Q444-Y646 PolarHBondContact OE1-OH 3.21Å; Q444-Q775 HydrophobicContact CB-CB 4.28Å; Q444-N778 PolarHBondContact O-ND2 3.11Å
445	H	96.3	Very high	96.7	Very high	25 Å²	25	52.8 Å²	52.8	12%	0.116	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	117.8	171.8	178.2	78.5	0	0	0	109.7	P428 Y443 G447 K448 A777	P428-H445 HydrophobicContact CG-CB 4.49Å; Y443-H445 HydrophobicContact CD2-CB 4.17Å; Y443-H445 HydrophobicContact CE2-CB 3.89Å; H445-G447 PolarHBondContact O-N 2.93Å; H445-K448 PolarHBondContact N-O 3.5Å; H445-K448 PolarHBondContact O-N 3.18Å; H445-K448 VanDerWaalsContact O-N 3.1Å; H445-A777 PolarHBondContact CE1-O 2.94Å; H445-A777 PolarHBondContact ND1-O 3.49Å
446	N	96.8	Very high	96.7	Very high	56 Å²	56	55 Å²	55	30%	0.299	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	50	176.9	-161.6	21.7	0	0	0	114.3	V182 H186 L776	V182-N446 HydrophobicContact CG1-CB 4.27Å; H186-N446 PolarHBondContact NE2-OD1 3.06Å; N446-L776 WeakPolarHBondContact CA-O 2.93Å; N446-L776 PolarHBondContact N-O 2.99Å
447	G	96.9	Very high	96.7	Very high	30 Å²	30	54.7 Å²	54.7	31%	0.309	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	4.2	177.7	0	0	0	0	0	115.3	H445 F644 Y646	H445-G447 PolarHBondContact O-N 2.93Å; G447-F644 VanDerWaalsContact CA-CE1 3.46Å; G447-Y646 WeakPolarHBondContact CA-OH 3.48Å; G447-Y646 PolarHBondContact N-OH 3.42Å
448	K	95.8	Very high	96.8	Very high	145 Å²	145	52.1 Å²	52.1	63%	0.63	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.4	-176.3	-60.1	179.5	-177.6	178	0	111.4	Q444 H445	Q444-K448 CarbonylContact C-O 3.5Å; Q444-K448 WeakPolarHBondContact CA-O 3.42Å; H445-K448 PolarHBondContact N-O 3.5Å; H445-K448 PolarHBondContact O-N 3.18Å; H445-K448 VanDerWaalsContact O-N 3.1Å
449	E	96	Very high	96.8	Very high	110 Å²	110	48.2 Å²	48.2	51%	0.514	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.5	165.1	-170.4	170.8	92	0	0	109.7	K442 Y443	K442-E449 HydrophobicContact CB-CG 4.29Å; K442-E449 HydrophobicContact CD-CG 4.45Å; K442-E449 WeakPolarHBondContact CD-OE1 3.41Å; K442-E449 WeakPolarHBondContact CE-OE1 3.45Å; K442-E449 IonicContact NZ-OE1 2.79Å; K442-E449 PolarHBondContact NZ-OE1 2.87Å; Y443-E449 CarbonylContact O-C 3.59Å; Y443-E449 WeakPolarHBondContact O-CA 3.3Å
450	Q	94.5	Very high	96.9	Very high	57 Å²	57	45.5 Å²	45.5	27%	0.266	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	168.3	177.4	-63.5	-168.1	45.2	0	0	110.4	K442 Y443	K442-Q450 CarbonylContact C-O 3.5Å; K442-Q450 VanDerWaalsContact CA-O 3.26Å; K442-Q450 WeakPolarHBondContact CA-O 3.47Å; Y443-Q450 HydrophobicContact CD1-CB 4.14Å; Y443-Q450 HydrophobicContact CD2-CB 4.45Å; Y443-Q450 HydrophobicContact CE1-CB 3.55Å; Y443-Q450 HydrophobicContact CE2-CB 3.92Å; Y443-Q450 VanDerWaalsContact CZ-CB 3.43Å; Y443-Q450 PolarHBondContact N-O 3.44Å; Y443-Q450 PolarHBondContact O-N 3.42Å; Y443-Q450 PolarHBondContact OH-OE1 2.89Å; Y443-Q450 VanDerWaalsContact OH-OE1 3.05Å
451	T	95.6	Very high	96.9	Very high	73 Å²	73	43 Å²	43	45%	0.448	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.4	-178.8	-59.8	0	0	0	0	110.4	G441	G441-T451 CarbonylContact O-C 3.57Å; G441-T451 WeakPolarHBondContact O-CA 3.24Å
452	Y	96.8	Very high	96.8	Very high	19 Å²	19	42.7 Å²	42.7	8%	0.075	22%	0.216	C	C	.	.			trans	-71.3	133.8	179.4	-71.4	-54.5	0	0	0	112.3	I427 R431 D434 A435 G440 G441 Y443	I427-Y452 HydrophobicContact CG2-CD1 3.99Å; I427-Y452 HydrophobicContact CG2-CE1 4.43Å; R431-Y452 HydrophobicContact CB-CE1 3.94Å; D434-Y452 HydrophobicContact CB-CE1 4.44Å; D434-Y452 HydrophobicContact CB-CE2 3.92Å; A435-Y452 HydrophobicContact CB-CD1 3.54Å; A435-Y452 HydrophobicContact CB-CE1 4.16Å; A435-Y452 HydrophobicContact CB-CG 3.95Å; G440-Y452 PolarHBondContact N-O 3.25Å; G441-Y452 PolarHBondContact O-N 3.03Å; Y443-Y452 AromaticContact CD1-CD1 3.86Å; Y443-Y452 HydrophobicContact CD1-CD1 3.86Å; Y443-Y452 HydrophobicContact CD1-CD2 4.06Å; Y443-Y452 AromaticContact CD1-CE1 3.57Å; Y443-Y452 HydrophobicContact CD1-CE1 3.57Å; Y443-Y452 AromaticContact CD1-CE2 3.79Å; Y443-Y452 HydrophobicContact CD1-CE2 3.79Å; Y443-Y452 HydrophobicContact CD1-CG 4.09Å; Y443-Y452 AromaticContact CD1-CZ 3.53Å; Y443-Y452 AromaticContact CE1-CD1 3.55Å; Y443-Y452 HydrophobicContact CE1-CD1 3.55Å; Y443-Y452 AromaticContact CE1-CE1 3.46Å; Y443-Y452 HydrophobicContact CE1-CE1 3.46Å; Y443-Y452 VanDerWaalsContact CE1-CE1 3.46Å; Y443-Y452 HydrophobicContact CE1-CE2 4.46Å; Y443-Y452 HydrophobicContact CE1-CG 4.1Å; Y443-Y452 AromaticContact CE1-CZ 3.95Å; Y443-Y452 HydrophobicContact CG-CE1 4.18Å; Y443-Y452 HydrophobicContact CG-CE2 4.26Å; Y443-Y452 AromaticContact CG-CZ 3.84Å; Y443-Y452 AromaticContact CZ-CE1 3.96Å
453	P	95.6	Very high	96.6	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.071	19%	0.192	C	C	.	.			trans	-72.3	153	175.6	30.1	-33.7	0	0	0	111.7	I427 I455	I427-P453 HydrophobicContact CG2-CG 4.12Å; P453-I455 HydrophobicContact CB-CG1 4.45Å; P453-I455 HydrophobicContact CG-CD1 4.26Å; P453-I455 HydrophobicContact CG-CG1 4Å; P453-I455 PolarHBondContact O-N 3.47Å; P453-I455 VanDerWaalsContact O-N 3.13Å
454	N	96.8	Very high	96.3	Very high	77 Å²	77	36.2 Å²	36.2	41%	0.412	20%	0.195	S	C	.	.			trans	-83.9	80.6	172.6	-171.8	12.5	0	0	0	110.7	A137 P439 K456	A137-N454 WeakPolarHBondContact CA-O 2.96Å; P439-N454 HydrophobicContact CB-CB 3.85Å; N454-K456 WeakPolarHBondContact ND2-CE 3.48Å; N454-K456 PolarHBondContact O-N 3.04Å
455	I	97.6	Very high	96.1	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.041	18%	0.184	C	C	.	.			trans	-67.6	120.6	-176.7	-61.1	168.2	0	0	0	110.2	F139 I432 A435 L436 P453 M457 I458	F139-I455 HydrophobicContact CB-CD1 4.07Å; F139-I455 HydrophobicContact CB-CG1 4.29Å; F139-I455 HydrophobicContact CB-CG2 3.69Å; F139-I455 HydrophobicContact CD2-CD1 4.04Å; F139-I455 HydrophobicContact CG-CD1 4.27Å; I432-I455 HydrophobicContact CD1-CD1 3.65Å; A435-I455 HydrophobicContact CB-CD1 4.28Å; L436-I455 HydrophobicContact CD2-CB 3.97Å; L436-I455 HydrophobicContact CD2-CG2 4.1Å; P453-I455 HydrophobicContact CB-CG1 4.45Å; P453-I455 HydrophobicContact CG-CD1 4.26Å; P453-I455 HydrophobicContact CG-CG1 4Å; P453-I455 PolarHBondContact O-N 3.47Å; P453-I455 VanDerWaalsContact O-N 3.13Å; I455-M457 WeakPolarHBondContact CG2-O 3.47Å; I455-I458 HydrophobicContact CG2-CG1 3.87Å
456	K	98	Very high	96.1	Very high	48 Å²	48	32.7 Å²	32.7	21%	0.209	18%	0.178	C	C	.	.			trans	-109.1	-27.7	178.1	-61.4	-56.1	-167.2	173.8	0	113.1	I129 N133 A137 N454 P482 E483 M484	I129-K456 HydrophobicContact CG2-CB 3.49Å; I129-K456 VanDerWaalsContact CG2-CB 3.49Å; I129-K456 HydrophobicContact CG2-CG 4.34Å; N133-K456 HydrophobicContact CB-CG 4.43Å; A137-K456 HydrophobicContact CB-CB 4.12Å; A137-K456 HydrophobicContact CB-CG 3.94Å; A137-K456 PolarHBondContact O-N 3.19Å; N454-K456 WeakPolarHBondContact ND2-CE 3.48Å; N454-K456 PolarHBondContact O-N 3.04Å; K456-P482 CarbonylContact O-C 3.47Å; K456-P482 WeakPolarHBondContact O-CB 3.45Å; K456-E483 HydrophobicContact CD-CG 4.42Å; K456-E483 PolarHBondContact O-N 3.32Å; K456-M484 PolarHBondContact O-N 3.21Å
457	M	98.2	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.4	177	177.3	-179.5	164.9	0	0	109.9	H126 I129 A137 I138 F139 M162 I455 W459 M484 V486	H126-M457 HydrophobicContact CB-CE 4.36Å; H126-M457 HydrophobicContact CB-SD 4.05Å; I129-M457 HydrophobicContact CD1-CB 4.04Å; I129-M457 HydrophobicContact CG2-CB 4.34Å; A137-M457 PolarHBondContact O-N 3.37Å; I138-M457 HydrophobicContact CD1-CB 3.62Å; I138-M457 HydrophobicContact CD1-CG 4.31Å; I138-M457 HydrophobicContact CD1-SD 3.86Å; I138-M457 HydrophobicContact CG2-CB 4.4Å; I138-M457 HydrophobicContact CG2-CE 4.48Å; I138-M457 HydrophobicContact CG2-CG 4.32Å; I138-M457 HydrophobicContact CG2-SD 3.95Å; F139-M457 PolarHBondContact N-O 3.39Å; M162-M457 HydrophobicContact CE-CE 3.92Å; I455-M457 WeakPolarHBondContact CG2-O 3.47Å; M457-W459 HydrophobicContact CE-CB 4.25Å; M457-W459 HydrophobicContact CE-CD2 4.43Å; M457-W459 HydrophobicContact CE-CE3 3.59Å; M457-W459 HydrophobicContact CE-CZ3 4.29Å; M457-M484 CarbonylContact C-O 3.59Å; M457-M484 VanDerWaalsContact CA-O 3.29Å; M457-M484 WeakPolarHBondContact CA-O 3.05Å; M457-M484 HydrophobicContact CE-CE 3.42Å; M457-M484 VanDerWaalsContact CE-CE 3.42Å; M457-M484 HydrophobicContact CG-CB 4.46Å; M457-M484 HydrophobicContact CG-CE 3.71Å; M457-M484 HydrophobicContact SD-CE 3.21Å; M457-M484 WeakPolarHBondContact SD-CE 3.48Å; M457-V486 HydrophobicContact CE-CG2 4.47Å
458	I	98.5	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.6	168	-62.9	180	0	0	0	108.5	F139 L436 I455 W460 W479 P482 M484 I485 V486	F139-I458 HydrophobicContact CB-CG1 4.28Å; F139-I458 HydrophobicContact CD1-CG2 4.27Å; F139-I458 WeakPolarHBondContact O-CA 3.22Å; L436-I458 HydrophobicContact CD1-CD1 4.29Å; L436-I458 HydrophobicContact CD2-CD1 4.35Å; I455-I458 HydrophobicContact CG2-CG1 3.87Å; I458-W460 HydrophobicContact CG2-CE3 3.78Å; I458-W460 HydrophobicContact CG2-CZ3 4.37Å; I458-W479 HydrophobicContact CD1-CE3 4.22Å; I458-W479 HydrophobicContact CD1-CH2 3.65Å; I458-W479 HydrophobicContact CD1-CZ2 4.14Å; I458-W479 HydrophobicContact CD1-CZ3 3.72Å; I458-W479 HydrophobicContact CG2-CH2 3.85Å; I458-W479 HydrophobicContact CG2-CZ2 4.02Å; I458-P482 HydrophobicContact CD1-CG 3.71Å; I458-P482 HydrophobicContact CG1-CB 4.47Å; I458-P482 HydrophobicContact CG1-CG 4.02Å; I458-M484 PolarHBondContact N-O 3.15Å; I458-I485 HydrophobicContact CB-CG1 4.36Å; I458-I485 HydrophobicContact CB-CG2 4.41Å; I458-I485 WeakPolarHBondContact O-CA 3.33Å; I458-V486 PolarHBondContact O-N 2.87Å
459	W	98.3	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121	163.4	-161.7	-31.7	0	0	0	109.4	I122 F139 L158 Y161 M162 M457 V486 S488 L503 F545 L548	I122-W459 HydrophobicContact CD1-CH2 4.3Å; I122-W459 HydrophobicContact CG2-CH2 3.73Å; I122-W459 HydrophobicContact CG2-CZ3 3.58Å; F139-W459 PolarHBondContact O-N 2.78Å; L158-W459 HydrophobicContact CD1-CB 4.03Å; L158-W459 HydrophobicContact CD1-CD2 3.51Å; L158-W459 HydrophobicContact CD1-CE3 3.9Å; L158-W459 HydrophobicContact CD1-CG 3.55Å; L158-W459 HydrophobicContact CD2-CB 4.07Å; L158-W459 HydrophobicContact CD2-CG 3.99Å; L158-W459 WeakPolarHBondContact CD2-O 3.32Å; L158-W459 HydrophobicContact CG-CG 4.44Å; Y161-W459 HydrophobicContact CD1-CZ3 4.37Å; Y161-W459 HydrophobicContact CE1-CE3 4.33Å; Y161-W459 HydrophobicContact CE1-CH2 4.43Å; Y161-W459 AromaticContact CE1-CZ3 3.71Å; Y161-W459 HydrophobicContact CE1-CZ3 3.71Å; M162-W459 HydrophobicContact CE-CB 4.1Å; M162-W459 HydrophobicContact CE-CD2 4.22Å; M162-W459 HydrophobicContact CE-CE3 3.46Å; M162-W459 VanDerWaalsContact CE-CE3 3.46Å; M162-W459 HydrophobicContact CE-CZ3 4.27Å; M457-W459 HydrophobicContact CE-CB 4.25Å; M457-W459 HydrophobicContact CE-CD2 4.43Å; M457-W459 HydrophobicContact CE-CE3 3.59Å; M457-W459 HydrophobicContact CE-CZ3 4.29Å; W459-V486 WeakPolarHBondContact CA-O 3.44Å; W459-V486 HydrophobicContact CD2-CB 4.02Å; W459-V486 HydrophobicContact CD2-CG1 4.03Å; W459-V486 HydrophobicContact CG-CB 4.01Å; W459-V486 HydrophobicContact CG-CG1 4.33Å; W459-V486 HydrophobicContact CH2-CG1 4.46Å; W459-V486 HydrophobicContact CZ2-CG1 3.86Å; W459-S488 PolarHBondContact NE1-OG 3.1Å; W459-L503 HydrophobicContact CZ2-CD1 3.93Å; W459-F545 AromaticContact CE2-CE1 3.85Å; W459-F545 HydrophobicContact CH2-CD1 4.43Å; W459-F545 AromaticContact CH2-CE1 3.99Å; W459-F545 HydrophobicContact CH2-CE1 3.99Å; W459-F545 HydrophobicContact CZ2-CD1 4.33Å; W459-F545 AromaticContact CZ2-CE1 3.51Å; W459-F545 HydrophobicContact CZ2-CE1 3.51Å; W459-F545 HydrophobicContact CZ2-CZ 4.39Å; W459-L548 HydrophobicContact CH2-CD1 3.43Å; W459-L548 VanDerWaalsContact CH2-CD1 3.43Å; W459-L548 HydrophobicContact CZ2-CD1 4.21Å; W459-L548 HydrophobicContact CZ3-CD1 4.31Å
460	W	98.2	Very high	96.1	Very high	8 Å²	8	18.8 Å²	18.8	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.6	174	-135.7	-70	0	0	0	111.8	F139 S142 Y143 I458 N465 H468 W479 V486 V487 S488	F139-W460 HydrophobicContact CD1-CZ3 4.38Å; F139-W460 HydrophobicContact CE1-CE3 4.36Å; F139-W460 HydrophobicContact CE1-CH2 4.1Å; F139-W460 AromaticContact CE1-CZ3 3.76Å; F139-W460 HydrophobicContact CE1-CZ3 3.76Å; S142-W460 VanDerWaalsContact OG-CD1 3.3Å; Y143-W460 PolarHBondContact O-NE1 3.34Å; I458-W460 HydrophobicContact CG2-CE3 3.78Å; I458-W460 HydrophobicContact CG2-CZ3 4.37Å; W460-N465 HydrophobicContact CD2-CB 4.2Å; W460-N465 HydrophobicContact CE3-CB 4.27Å; W460-N465 HydrophobicContact CH2-CB 3.59Å; W460-N465 HydrophobicContact CZ2-CB 3.53Å; W460-N465 HydrophobicContact CZ3-CB 3.99Å; W460-H468 AromaticContact CZ2-CE1 3.81Å; W460-W479 AromaticContact CE3-CH2 3.6Å; W460-W479 HydrophobicContact CE3-CH2 3.6Å; W460-W479 HydrophobicContact CE3-CZ2 4.28Å; W460-W479 AromaticContact CZ3-CH2 3.55Å; W460-W479 HydrophobicContact CZ3-CH2 3.55Å; W460-W479 HydrophobicContact CZ3-CZ3 4.15Å; W460-V486 PolarHBondContact N-O 3.31Å; W460-V487 HydrophobicContact CB-CG2 4.49Å; W460-V487 WeakPolarHBondContact O-CA 3.39Å; W460-S488 PolarHBondContact O-N 3.47Å
461	A	97.8	Very high	96.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	121.6	175.1	0	0	0	0	0	110.2	S142 A154 L158	S142-A461 PolarHBondContact OG-N 3.24Å; S142-A461 PolarHBondContact OG-O 3.03Å; A154-A461 HydrophobicContact CB-CB 4.3Å; L158-A461 HydrophobicContact CB-CB 4.36Å; L158-A461 HydrophobicContact CD2-CB 4.09Å
462	G	93.9	Very high	96.4	Very high	17 Å²	17	13.8 Å²	13.8	18%	0.175	8%	0.078	C	C	.	.	S	Bend	trans	79.5	26.2	175.2	0	0	0	0	0	116.2	G144 W145 R146	G144-G462 CarbonylContact C-O 3.56Å; G144-G462 VanDerWaalsContact CA-O 3.31Å; G144-G462 WeakPolarHBondContact CA-O 3.37Å; W145-G462 PolarHBondContact N-O 3.29Å; R146-G462 WeakPolarHBondContact CA-O 3.47Å; R146-G462 PolarHBondContact N-O 2.93Å
463	G	93.1	Very high	96.4	Very high	11 Å²	11	14.4 Å²	14.4	11%	0.113	8%	0.083	C	C	.	.			trans	-149.7	156.1	178.9	0	0	0	0	0	113.8
464	G	90.3	Very high	96.5	Very high	13 Å²	13	16.5 Å²	16.5	13%	0.134	9%	0.09	C	C	.	.			trans	-117.1	74	-178.4	0	0	0	0	0	112.5	F466 T467 H468	G464-F466 VanDerWaalsContact C-N 3.3Å; G464-F466 PolarHBondContact O-N 3.31Å; G464-T467 PolarHBondContact O-N 2.85Å; G464-H468 PolarHBondContact O-N 3.29Å
465	N	93.1	Very high	96.5	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.011	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-33.8	-173.5	66.7	-51.7	0	0	0	114.2	W460 T467 H468 H469 W479 A495	W460-N465 HydrophobicContact CD2-CB 4.2Å; W460-N465 HydrophobicContact CE3-CB 4.27Å; W460-N465 HydrophobicContact CH2-CB 3.59Å; W460-N465 HydrophobicContact CZ2-CB 3.53Å; W460-N465 HydrophobicContact CZ3-CB 3.99Å; N465-T467 PolarHBondContact O-N 3.41Å; N465-H468 WeakPolarHBondContact CA-NE2 3.22Å; N465-H468 PolarHBondContact O-N 3.04Å; N465-H469 WeakPolarHBondContact O-CB 3.37Å; N465-H469 PolarHBondContact O-N 3.13Å; N465-H469 VanDerWaalsContact O-N 3.11Å; N465-W479 WeakPolarHBondContact ND2-CH2 3.49Å; N465-W479 VanDerWaalsContact ND2-CZ2 3.27Å; N465-W479 WeakPolarHBondContact ND2-CZ2 3.29Å; N465-W479 WeakPolarHBondContact ND2-CZ3 3.34Å; N465-A495 WeakPolarHBondContact OD1-CB 3.47Å
466	F	95.3	Very high	96.4	Very high	2 Å²	2	14 Å²	14	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-67.1	-15.9	174.8	-83.6	-119.7	0	0	0	113.3	G464 L475 I476 W479 A494 A495 H498 P752	G464-F466 VanDerWaalsContact C-N 3.3Å; G464-F466 PolarHBondContact O-N 3.31Å; F466-L475 HydrophobicContact CD2-CD2 3.91Å; F466-L475 HydrophobicContact CE2-CD2 4.19Å; F466-L475 HydrophobicContact CG-CD2 4.09Å; F466-I476 HydrophobicContact CD1-CG1 4.24Å; F466-I476 HydrophobicContact CE1-CD1 4.32Å; F466-I476 HydrophobicContact CE1-CG1 3.56Å; F466-I476 HydrophobicContact CZ-CG1 4.29Å; F466-W479 AromaticContact CE2-CD1 3.88Å; F466-W479 AromaticContact CE2-CD2 3.82Å; F466-W479 HydrophobicContact CE2-CD2 3.82Å; F466-W479 AromaticContact CE2-CE2 3.76Å; F466-W479 HydrophobicContact CE2-CE3 4.45Å; F466-W479 AromaticContact CE2-CG 3.92Å; F466-W479 HydrophobicContact CE2-CG 3.92Å; F466-W479 HydrophobicContact CE2-CZ2 4.37Å; F466-W479 AromaticContact CE2-NE1 3.72Å; F466-W479 HydrophobicContact CZ-CB 4.3Å; F466-W479 AromaticContact CZ-CD1 3.75Å; F466-W479 HydrophobicContact CZ-CD2 4.24Å; F466-W479 AromaticContact CZ-CG 3.84Å; F466-W479 HydrophobicContact CZ-CG 3.84Å; F466-A494 HydrophobicContact CB-CB 3.66Å; F466-A494 HydrophobicContact CD1-CB 3.97Å; F466-A494 HydrophobicContact CG-CB 4.07Å; F466-A495 HydrophobicContact CD2-CB 3.91Å; F466-A495 HydrophobicContact CG-CB 4.5Å; F466-H498 HydrophobicContact CE1-CB 3.94Å; F466-H498 AromaticContact CE1-CD2 3.58Å; F466-H498 AromaticContact CE1-CE1 3.61Å; F466-H498 AromaticContact CE1-CG 3.4Å; F466-H498 VanDerWaalsContact CE1-CG 3.4Å; F466-H498 AromaticContact CE1-ND1 3.41Å; F466-H498 WeakPolarHBondContact CE1-ND1 3.41Å; F466-H498 AromaticContact CE1-NE2 3.7Å; F466-H498 HydrophobicContact CE2-CB 4.23Å; F466-H498 HydrophobicContact CZ-CB 3.52Å; F466-H498 AromaticContact CZ-CD2 3.83Å; F466-H498 AromaticContact CZ-CG 3.52Å; F466-H498 AromaticContact CZ-ND1 3.95Å; F466-P752 HydrophobicContact CB-CG 4.41Å; F466-P752 VanDerWaalsContact O-CG 3.24Å; F466-P752 WeakPolarHBondContact O-CG 3.42Å
467	T	95.4	Very high	96.3	Very high	7 Å²	7	19 Å²	19	4%	0.043	10%	0.098	C	C	.	.	H	α-helix	trans	-103.2	-34.7	176.7	-49.5	0	0	0	0	112.9	G464 N465 N765	G464-T467 PolarHBondContact O-N 2.85Å; N465-T467 PolarHBondContact O-N 3.41Å; T467-N765 PolarHBondContact O-ND2 3.09Å
468	H	95.6	Very high	96.3	Very high	32 Å²	32	19 Å²	19	15%	0.148	10%	0.098	C	C	.	.	H	α-helix	trans	-86.6	-25	-177.6	68.4	-141.7	0	0	0	114.8	Y143 Y175 W460 G464 N465 Q470	Y143-H468 AromaticContact CD1-CE1 3.72Å; Y143-H468 AromaticContact CD1-ND1 3.86Å; Y175-H468 AromaticContact CE2-CD2 3.6Å; Y175-H468 AromaticContact CE2-NE2 3.58Å; Y175-H468 AromaticContact CZ-CD2 3.61Å; Y175-H468 AromaticContact CZ-NE2 3.91Å; W460-H468 AromaticContact CZ2-CE1 3.81Å; G464-H468 PolarHBondContact O-N 3.29Å; N465-H468 WeakPolarHBondContact CA-NE2 3.22Å; N465-H468 PolarHBondContact O-N 3.04Å; H468-Q470 PolarHBondContact O-NE2 2.97Å
469	H	98.2	Very high	96.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	-86.6	144.4	-172.4	-161.2	87.5	0	0	0	110.1	Y175 A430 I432 V433 N465 L475 N765 D770	Y175-H469 AromaticContact CZ-ND1 3.88Å; Y175-H469 PolarHBondContact OH-CE1 3.45Å; Y175-H469 PolarHBondContact OH-ND1 3.2Å; A430-H469 PolarHBondContact O-CE1 3.33Å; A430-H469 VanDerWaalsContact O-CE1 3.3Å; I432-H469 VanDerWaalsContact CG2-CE1 3.46Å; I432-H469 WeakPolarHBondContact CG2-CE1 3.43Å; V433-H469 WeakPolarHBondContact CG2-NE2 3.45Å; N465-H469 WeakPolarHBondContact O-CB 3.37Å; N465-H469 PolarHBondContact O-N 3.13Å; N465-H469 VanDerWaalsContact O-N 3.11Å; H469-L475 HydrophobicContact CB-CD2 4.13Å; H469-N765 VanDerWaalsContact O-CB 3.31Å; H469-N765 WeakPolarHBondContact O-CB 3.36Å; H469-D770 IonicContact NE2-OD1 2.76Å; H469-D770 IonicContact NE2-OD2 3.22Å; H469-D770 PolarHBondContact NE2-OD2 3.07Å
470	Q	98.2	Very high	96.1	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.037	11%	0.11	C	C	.	.	S	Bend	trans	-76.2	162.6	-178.2	-69.5	61.8	66.6	0	0	110.9	H468 N765 T768 A769 D770	H468-Q470 PolarHBondContact O-NE2 2.97Å; Q470-N765 PolarHBondContact NE2-OD1 2.98Å; Q470-T768 WeakPolarHBondContact CA-OG1 3.36Å; Q470-T768 WeakPolarHBondContact CB-OG1 3.41Å; Q470-T768 WeakPolarHBondContact CG-OG1 3.46Å; Q470-A769 WeakPolarHBondContact CB-O 3.05Å; Q470-A769 WeakPolarHBondContact CG-O 3.31Å; Q470-D770 HydrophobicContact CB-CB 3.9Å
471	D	97.8	Very high	96	Very high	25 Å²	25	26.3 Å²	26.3	13%	0.134	13%	0.131	C	C	.	.			trans	43.3	69.3	-176.2	-161.8	-27.5	0	0	0	112.7	N473 R474 L475 N765 T768 D770	D471-N473 PolarHBondContact O-N 3.06Å; D471-R474 HydrophobicContact CB-CB 3.91Å; D471-R474 VanDerWaalsContact CG-CB 3.45Å; D471-R474 WeakPolarHBondContact O-CB 3.34Å; D471-R474 PolarHBondContact O-N 3.25Å; D471-R474 WeakPolarHBondContact OD1-CB 3.29Å; D471-R474 PolarHBondContact OD1-N 3.46Å; D471-L475 PolarHBondContact O-N 2.77Å; D471-N765 WeakPolarHBondContact CA-O 3.39Å; D471-N765 PolarHBondContact N-O 3.24Å; D471-T768 WeakPolarHBondContact CA-O 3.34Å; D471-T768 PolarHBondContact N-O 2.94Å; D471-D770 HydrophobicContact CB-CB 4.05Å
472	T	97.3	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-53.7	-31.5	-177.7	-50.8	0	0	0	0	112.6	L475 I476 P752 L754 N765 V766	T472-L475 PolarHBondContact O-N 3.34Å; T472-I476 HydrophobicContact CG2-CD1 4.11Å; T472-I476 WeakPolarHBondContact O-CD1 3.46Å; T472-I476 VanDerWaalsContact O-CG1 3.28Å; T472-I476 WeakPolarHBondContact O-CG1 3.35Å; T472-I476 PolarHBondContact O-N 3.41Å; T472-P752 HydrophobicContact CG2-CB 4.4Å; T472-P752 HydrophobicContact CG2-CG 4.3Å; T472-L754 HydrophobicContact CG2-CD1 4.31Å; T472-N765 PolarHBondContact N-O 3.34Å; T472-V766 HydrophobicContact CG2-CG2 4.42Å; T472-V766 PolarHBondContact OG1-N 3.36Å
473	N	96.6	Very high	96.2	Very high	33 Å²	33	28.5 Å²	28.5	18%	0.176	14%	0.137	C	C	.	.	H	α-helix	trans	-69.9	-40.6	177.3	-72.6	-33.1	0	0	0	112.1	D471 K477 R726	D471-N473 PolarHBondContact O-N 3.06Å; N473-K477 WeakPolarHBondContact O-CG 3.48Å; N473-K477 PolarHBondContact O-N 2.91Å; N473-R726 PolarHBondContact ND2-O 3.31Å
474	R	97.2	Very high	96.4	Very high	54 Å²	54	28 Å²	28	20%	0.204	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-43.2	170.9	-171.2	-171.6	175.5	-156.9	4	111.1	V433 D434 E437 D471 I476 K477 A478 D770	V433-R474 HydrophobicContact CG1-CG 3.76Å; D434-R474 IonicContact OD1-CZ 3.93Å; D434-R474 IonicContact OD1-NH1 3.52Å; D434-R474 PolarHBondContact OD1-NH1 2.71Å; D434-R474 IonicContact OD1-NH2 2.92Å; D434-R474 PolarHBondContact OD1-NH2 3.29Å; E437-R474 IonicContact OE1-NE 2.79Å; E437-R474 IonicContact OE2-CZ 3.57Å; E437-R474 IonicContact OE2-NE 2.62Å; E437-R474 PolarHBondContact OE2-NE 3.45Å; E437-R474 IonicContact OE2-NH2 3.32Å; E437-R474 PolarHBondContact OE2-NH2 2.81Å; D471-R474 HydrophobicContact CB-CB 3.91Å; D471-R474 VanDerWaalsContact CG-CB 3.45Å; D471-R474 WeakPolarHBondContact O-CB 3.34Å; D471-R474 PolarHBondContact O-N 3.25Å; D471-R474 WeakPolarHBondContact OD1-CB 3.29Å; D471-R474 PolarHBondContact OD1-N 3.46Å; R474-I476 PolarHBondContact O-N 2.96Å; R474-K477 WeakPolarHBondContact O-CB 3.47Å; R474-K477 PolarHBondContact O-N 3.18Å; R474-A478 PolarHBondContact O-N 2.74Å; R474-D770 IonicContact CZ-OD2 2.65Å; R474-D770 PolarHBondContact NH1-O 3.47Å; R474-D770 IonicContact NH1-OD2 2.89Å; R474-D770 PolarHBondContact NH1-OD2 2.86Å
475	L	97.6	Very high	96.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-54.5	-51.2	175.1	175.4	68.1	0	0	0	111.4	V433 F466 H469 D471 T472 K477 A478 W479	V433-L475 HydrophobicContact CG2-CB 4.18Å; V433-L475 HydrophobicContact CG2-CD1 3.6Å; F466-L475 HydrophobicContact CD2-CD2 3.91Å; F466-L475 HydrophobicContact CE2-CD2 4.19Å; F466-L475 HydrophobicContact CG-CD2 4.09Å; H469-L475 HydrophobicContact CB-CD2 4.13Å; D471-L475 PolarHBondContact O-N 2.77Å; T472-L475 PolarHBondContact O-N 3.34Å; L475-K477 VanDerWaalsContact C-N 3.26Å; L475-K477 PolarHBondContact O-N 3.14Å; L475-A478 PolarHBondContact O-N 2.83Å; L475-A478 VanDerWaalsContact O-N 3.14Å; L475-W479 HydrophobicContact CD1-CE3 3.67Å; L475-W479 HydrophobicContact CD1-CZ3 4.03Å; L475-W479 HydrophobicContact CG-CE3 4.44Å; L475-W479 WeakPolarHBondContact O-CB 3.46Å; L475-W479 PolarHBondContact O-N 3.44Å
476	I	95.6	Very high	97.1	Very high	32 Å²	32	27.3 Å²	27.3	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-41.2	-179.6	-74.6	162.3	0	0	0	111.8	F466 T472 R474 W479 Q480 L754	F466-I476 HydrophobicContact CD1-CG1 4.24Å; F466-I476 HydrophobicContact CE1-CD1 4.32Å; F466-I476 HydrophobicContact CE1-CG1 3.56Å; F466-I476 HydrophobicContact CZ-CG1 4.29Å; T472-I476 HydrophobicContact CG2-CD1 4.11Å; T472-I476 WeakPolarHBondContact O-CD1 3.46Å; T472-I476 VanDerWaalsContact O-CG1 3.28Å; T472-I476 WeakPolarHBondContact O-CG1 3.35Å; T472-I476 PolarHBondContact O-N 3.41Å; R474-I476 PolarHBondContact O-N 2.96Å; I476-W479 WeakPolarHBondContact O-CB 3.33Å; I476-W479 PolarHBondContact O-N 3.39Å; I476-Q480 WeakPolarHBondContact O-CG 3.37Å; I476-Q480 PolarHBondContact O-NE2 3.46Å; I476-L754 HydrophobicContact CD1-CD1 3.15Å
477	K	96.2	Very high	97.2	Very high	152 Å²	152	27.4 Å²	27.4	66%	0.661	13%	0.125	S	C	*	.	H	α-helix	trans	-65.1	-46.9	176.8	-69	172.4	-176.5	175.6	0	111.5	N473 R474 L475 W479 Q480	N473-K477 WeakPolarHBondContact O-CG 3.48Å; N473-K477 PolarHBondContact O-N 2.91Å; R474-K477 WeakPolarHBondContact O-CB 3.47Å; R474-K477 PolarHBondContact O-N 3.18Å; L475-K477 VanDerWaalsContact C-N 3.26Å; L475-K477 PolarHBondContact O-N 3.14Å; K477-W479 VanDerWaalsContact C-N 3.27Å; K477-W479 PolarHBondContact O-N 3.47Å; K477-Q480 PolarHBondContact O-N 3.03Å
478	A	97.6	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-33.3	176.9	0	0	0	0	0	112.3	V433 L436 E437 R474 L475 Q480 K481	V433-A478 HydrophobicContact CB-CB 4.48Å; V433-A478 HydrophobicContact CG1-CB 3.97Å; V433-A478 HydrophobicContact CG2-CB 4.29Å; L436-A478 HydrophobicContact CB-CB 4.09Å; L436-A478 HydrophobicContact CD1-CB 4.12Å; E437-A478 HydrophobicContact CG-CB 4.18Å; R474-A478 PolarHBondContact O-N 2.74Å; L475-A478 PolarHBondContact O-N 2.83Å; L475-A478 VanDerWaalsContact O-N 3.14Å; A478-Q480 PolarHBondContact O-N 2.84Å; A478-Q480 VanDerWaalsContact O-N 3.17Å; A478-K481 WeakPolarHBondContact O-CB 3.38Å; A478-K481 WeakPolarHBondContact O-CG 3.37Å; A478-K481 PolarHBondContact O-N 3.34Å
479	W	96.3	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.7	178.2	-144.1	-106.9	0	0	0	114	R105 L436 I458 W460 N465 F466 L475 I476 K477 K481 I485	R105-W479 PolarHBondContact NH1-O 2.95Å; L436-W479 HydrophobicContact CD1-CE3 4.33Å; I458-W479 HydrophobicContact CD1-CE3 4.22Å; I458-W479 HydrophobicContact CD1-CH2 3.65Å; I458-W479 HydrophobicContact CD1-CZ2 4.14Å; I458-W479 HydrophobicContact CD1-CZ3 3.72Å; I458-W479 HydrophobicContact CG2-CH2 3.85Å; I458-W479 HydrophobicContact CG2-CZ2 4.02Å; W460-W479 AromaticContact CE3-CH2 3.6Å; W460-W479 HydrophobicContact CE3-CH2 3.6Å; W460-W479 HydrophobicContact CE3-CZ2 4.28Å; W460-W479 AromaticContact CZ3-CH2 3.55Å; W460-W479 HydrophobicContact CZ3-CH2 3.55Å; W460-W479 HydrophobicContact CZ3-CZ3 4.15Å; N465-W479 WeakPolarHBondContact ND2-CH2 3.49Å; N465-W479 VanDerWaalsContact ND2-CZ2 3.27Å; N465-W479 WeakPolarHBondContact ND2-CZ2 3.29Å; N465-W479 WeakPolarHBondContact ND2-CZ3 3.34Å; F466-W479 AromaticContact CE2-CD1 3.88Å; F466-W479 AromaticContact CE2-CD2 3.82Å; F466-W479 HydrophobicContact CE2-CD2 3.82Å; F466-W479 AromaticContact CE2-CE2 3.76Å; F466-W479 HydrophobicContact CE2-CE3 4.45Å; F466-W479 AromaticContact CE2-CG 3.92Å; F466-W479 HydrophobicContact CE2-CG 3.92Å; F466-W479 HydrophobicContact CE2-CZ2 4.37Å; F466-W479 AromaticContact CE2-NE1 3.72Å; F466-W479 HydrophobicContact CZ-CB 4.3Å; F466-W479 AromaticContact CZ-CD1 3.75Å; F466-W479 HydrophobicContact CZ-CD2 4.24Å; F466-W479 AromaticContact CZ-CG 3.84Å; F466-W479 HydrophobicContact CZ-CG 3.84Å; L475-W479 HydrophobicContact CD1-CE3 3.67Å; L475-W479 HydrophobicContact CD1-CZ3 4.03Å; L475-W479 HydrophobicContact CG-CE3 4.44Å; L475-W479 WeakPolarHBondContact O-CB 3.46Å; L475-W479 PolarHBondContact O-N 3.44Å; I476-W479 WeakPolarHBondContact O-CB 3.33Å; I476-W479 PolarHBondContact O-N 3.39Å; K477-W479 VanDerWaalsContact C-N 3.27Å; K477-W479 PolarHBondContact O-N 3.47Å; W479-K481 VanDerWaalsContact C-N 3.28Å; W479-I485 HydrophobicContact CD2-CD1 4.07Å; W479-I485 HydrophobicContact CG-CD1 3.89Å; W479-I485 HydrophobicContact CZ2-CD1 4.35Å; W479-I485 HydrophobicContact CZ2-CG2 4.06Å; W479-I485 VanDerWaalsContact NE1-CD1 3.26Å; W479-I485 VanDerWaalsContact O-CD1 3.32Å; W479-I485 WeakPolarHBondContact O-CD1 3.49Å
480	Q	96.6	Very high	97.5	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.257	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.1	173.8	-55	-56.6	-47.4	0	0	113	R105 I476 K477 A478	R105-Q480 PolarHBondContact NH1-O 3.25Å; R105-Q480 PolarHBondContact O-NE2 3.02Å; R105-Q480 VanDerWaalsContact O-NE2 3.09Å; I476-Q480 WeakPolarHBondContact O-CG 3.37Å; I476-Q480 PolarHBondContact O-NE2 3.46Å; K477-Q480 PolarHBondContact O-N 3.03Å; A478-Q480 PolarHBondContact O-N 2.84Å; A478-Q480 VanDerWaalsContact O-N 3.17Å
481	K	96.8	Very high	97.4	Very high	108 Å²	108	28.4 Å²	28.4	47%	0.47	13%	0.13	S	C	.	.	S	Bend	trans	-81.2	-39.2	-171.6	-63.3	-175.5	173	-143.8	0	115.9	L436 E437 A478 W479	L436-K481 HydrophobicContact CB-CD 4.45Å; L436-K481 WeakPolarHBondContact O-CD 3.32Å; L436-K481 WeakPolarHBondContact O-CE 3.28Å; L436-K481 PolarHBondContact O-NZ 2.95Å; L436-K481 VanDerWaalsContact O-NZ 3.1Å; E437-K481 VanDerWaalsContact CA-NZ 3.3Å; E437-K481 PolarHBondContact O-NZ 2.89Å; E437-K481 VanDerWaalsContact O-NZ 3.11Å; A478-K481 WeakPolarHBondContact O-CB 3.38Å; A478-K481 WeakPolarHBondContact O-CG 3.37Å; A478-K481 PolarHBondContact O-N 3.34Å; W479-K481 VanDerWaalsContact C-N 3.28Å
482	P	97.4	Very high	97.4	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.026	12%	0.124	C	C	.	.	S	Bend	trans	-59.4	150.1	177.2	-25.5	35.6	0	0	0	112.1	R105 L436 K456 I458 I485	R105-P482 VanDerWaalsContact CZ-O 3.3Å; R105-P482 PolarHBondContact NH1-O 2.83Å; R105-P482 PolarHBondContact NH2-O 3.31Å; L436-P482 HydrophobicContact CD2-CG 3.81Å; K456-P482 CarbonylContact O-C 3.47Å; K456-P482 WeakPolarHBondContact O-CB 3.45Å; I458-P482 HydrophobicContact CD1-CG 3.71Å; I458-P482 HydrophobicContact CG1-CB 4.47Å; I458-P482 HydrophobicContact CG1-CG 4.02Å; P482-I485 HydrophobicContact CB-CD1 4.21Å; P482-I485 HydrophobicContact CB-CG1 3.96Å; P482-I485 HydrophobicContact CG-CD1 4.05Å; P482-I485 HydrophobicContact CG-CG1 4.3Å
483	E	97.7	Very high	97.4	Very high	59 Å²	59	27.8 Å²	27.8	28%	0.276	13%	0.128	S	C	.	.	S	Bend	trans	-71.8	-35.3	172.8	-66.9	179.3	-146.3	0	0	111.7	Y94 R105 R128 I129 K456	Y94-E483 WeakPolarHBondContact CE2-O 3.49Å; R105-E483 PolarHBondContact NH2-O 3.43Å; R128-E483 IonicContact CZ-OE2 3.33Å; R128-E483 IonicContact NH1-OE2 2.78Å; R128-E483 PolarHBondContact NH1-OE2 3.46Å; R128-E483 IonicContact NH2-OE2 3.06Å; R128-E483 PolarHBondContact NH2-OE2 2.99Å; I129-E483 HydrophobicContact CD1-CB 4.02Å; K456-E483 HydrophobicContact CD-CG 4.42Å; K456-E483 PolarHBondContact O-N 3.32Å
484	M	98.3	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.7	179.4	-174.4	173.1	68.7	0	0	112.1	Y94 Q125 H126 I129 K456 M457 I458 V486 D500 I501	Y94-M484 HydrophobicContact CE1-CG 4.49Å; Y94-M484 WeakPolarHBondContact OH-CB 3.32Å; Y94-M484 WeakPolarHBondContact OH-CG 3.17Å; Y94-M484 PolarHBondContact OH-SD 2.73Å; Y94-M484 VanDerWaalsContact OH-SD 3.41Å; Q125-M484 HydrophobicContact CB-CE 4.13Å; Q125-M484 HydrophobicContact CB-SD 3.51Å; Q125-M484 VanDerWaalsContact CB-SD 3.51Å; Q125-M484 HydrophobicContact CG-SD 4.36Å; H126-M484 HydrophobicContact CB-CE 4.3Å; I129-M484 HydrophobicContact CD1-CB 3.92Å; K456-M484 PolarHBondContact O-N 3.21Å; M457-M484 CarbonylContact C-O 3.59Å; M457-M484 VanDerWaalsContact CA-O 3.29Å; M457-M484 WeakPolarHBondContact CA-O 3.05Å; M457-M484 HydrophobicContact CE-CE 3.42Å; M457-M484 VanDerWaalsContact CE-CE 3.42Å; M457-M484 HydrophobicContact CG-CB 4.46Å; M457-M484 HydrophobicContact CG-CE 3.71Å; M457-M484 HydrophobicContact SD-CE 3.21Å; M457-M484 WeakPolarHBondContact SD-CE 3.48Å; I458-M484 PolarHBondContact N-O 3.15Å; M484-V486 HydrophobicContact CE-CG2 4.05Å; M484-V486 HydrophobicContact CG-CG2 4.09Å; M484-V486 HydrophobicContact SD-CG2 4.08Å; M484-D500 WeakPolarHBondContact CA-OD2 3.43Å; M484-I501 HydrophobicContact SD-CD1 4.28Å
485	I	98.6	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.4	172.5	-54.9	-173.7	0	0	0	110.1	I458 W479 P482 V487 D500 I501	I458-I485 HydrophobicContact CB-CG1 4.36Å; I458-I485 HydrophobicContact CB-CG2 4.41Å; I458-I485 WeakPolarHBondContact O-CA 3.33Å; W479-I485 HydrophobicContact CD2-CD1 4.07Å; W479-I485 HydrophobicContact CG-CD1 3.89Å; W479-I485 HydrophobicContact CZ2-CD1 4.35Å; W479-I485 HydrophobicContact CZ2-CG2 4.06Å; W479-I485 VanDerWaalsContact NE1-CD1 3.26Å; W479-I485 VanDerWaalsContact O-CD1 3.32Å; W479-I485 WeakPolarHBondContact O-CD1 3.49Å; P482-I485 HydrophobicContact CB-CD1 4.21Å; P482-I485 HydrophobicContact CB-CG1 3.96Å; P482-I485 HydrophobicContact CG-CD1 4.05Å; P482-I485 HydrophobicContact CG-CG1 4.3Å; I485-V487 HydrophobicContact CG2-CG2 4.4Å; I485-D500 PolarHBondContact N-OD2 3.14Å; I485-D500 PolarHBondContact O-N 3.27Å; I485-I501 PolarHBondContact O-N 3.27Å; I485-I501 VanDerWaalsContact O-N 3.17Å
486	V	98.8	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.8	176.9	-172.5	0	0	0	0	109.5	I122 M457 I458 W459 W460 M484 I501 L503	I122-V486 HydrophobicContact CD1-CG1 3.9Å; I122-V486 HydrophobicContact CG1-CG1 4.43Å; I122-V486 HydrophobicContact CG1-CG2 4.15Å; M457-V486 HydrophobicContact CE-CG2 4.47Å; I458-V486 PolarHBondContact O-N 2.87Å; W459-V486 WeakPolarHBondContact CA-O 3.44Å; W459-V486 HydrophobicContact CD2-CB 4.02Å; W459-V486 HydrophobicContact CD2-CG1 4.03Å; W459-V486 HydrophobicContact CG-CB 4.01Å; W459-V486 HydrophobicContact CG-CG1 4.33Å; W459-V486 HydrophobicContact CH2-CG1 4.46Å; W459-V486 HydrophobicContact CZ2-CG1 3.86Å; W460-V486 PolarHBondContact N-O 3.31Å; M484-V486 HydrophobicContact CE-CG2 4.05Å; M484-V486 HydrophobicContact CG-CG2 4.09Å; M484-V486 HydrophobicContact SD-CG2 4.08Å; V486-I501 WeakPolarHBondContact CA-O 3.41Å; V486-I501 HydrophobicContact CG1-CB 4.46Å; V486-I501 HydrophobicContact CG2-CB 4.42Å; V486-L503 HydrophobicContact CG1-CD1 4.34Å; V486-L503 HydrophobicContact CG1-CG 4.49Å
487	V	98.6	Very high	97.2	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.024	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.8	176.3	175.5	0	0	0	0	110.2	W460 I485 E489 A496 A499 I501 V502 L503	W460-V487 HydrophobicContact CB-CG2 4.49Å; W460-V487 WeakPolarHBondContact O-CA 3.39Å; I485-V487 HydrophobicContact CG2-CG2 4.4Å; V487-E489 HydrophobicContact CG1-CB 3.75Å; V487-A496 HydrophobicContact CG1-CB 4.08Å; V487-A499 HydrophobicContact CB-CB 3.98Å; V487-A499 HydrophobicContact CG2-CB 3.69Å; V487-I501 PolarHBondContact N-O 2.82Å; V487-V502 WeakPolarHBondContact O-CA 3.22Å; V487-L503 PolarHBondContact O-N 2.83Å
488	S	98.4	Very high	97.2	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.8	172.3	-62.4	0	0	0	0	108.7	W459 W460	W459-S488 PolarHBondContact NE1-OG 3.1Å; W460-S488 PolarHBondContact O-N 3.47Å
489	E	97.6	Very high	97.3	Very high	29 Å²	29	18.4 Å²	18.4	14%	0.136	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154	-167.6	-171.5	49.7	-103.9	0	0	112.7	I85 V487 Y491 T493 L503 I505	I85-E489 HydrophobicContact CD1-CB 3.9Å; I85-E489 HydrophobicContact CD1-CG 4.31Å; I85-E489 WeakPolarHBondContact CD1-O 3.42Å; V487-E489 HydrophobicContact CG1-CB 3.75Å; E489-Y491 WeakPolarHBondContact CG-O 3.44Å; E489-T493 HydrophobicContact CG-CG2 4.02Å; E489-L503 PolarHBondContact N-O 3.22Å; E489-L503 VanDerWaalsContact N-O 3.16Å; E489-I505 PolarHBondContact O-N 2.69Å
490	C	97.8	Very high	97.4	Very high	14 Å²	14	18.4 Å²	18.4	10%	0.095	9%	0.087	C	C	.	.	S	Bend	trans	-82.2	-27.6	176.2	-66.1	0	0	0	0	112.2	R84 I85 I505 T507	R84-C490 WeakPolarHBondContact CA-O 3.28Å; R84-C490 VanDerWaalsContact NH1-CA 3.25Å; R84-C490 PolarHBondContact NH1-O 3.02Å; I85-C490 PolarHBondContact N-O 3.16Å; I85-C490 VanDerWaalsContact N-O 3.11Å; C490-I505 PolarHBondContact SG-O 3.39Å; C490-T507 HydrophobicContact CB-CG2 4.37Å
491	Y	97.7	Very high	97.5	Very high	23 Å²	23	15.8 Å²	15.8	9%	0.09	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-134.2	155.6	-168.9	-42.5	-73.1	0	0	0	113.5	Q78 T81 A83 R84 I85 E489 T493 T507 Y687 W751	Q78-Y491 WeakPolarHBondContact CA-OH 3.2Å; Q78-Y491 WeakPolarHBondContact CB-OH 3.25Å; Q78-Y491 VanDerWaalsContact O-CE1 3.22Å; Q78-Y491 WeakPolarHBondContact O-CE1 3.49Å; Q78-Y491 PolarHBondContact O-OH 3.06Å; T81-Y491 HydrophobicContact CG2-CD1 3.65Å; T81-Y491 HydrophobicContact CG2-CE1 3.57Å; A83-Y491 CarbonylContact O-C 3.29Å; A83-Y491 WeakPolarHBondContact O-CA 3.46Å; R84-Y491 HydrophobicContact CG-CE1 4.47Å; I85-Y491 VanDerWaalsContact CD1-C 3.47Å; I85-Y491 VanDerWaalsContact CD1-O 3.25Å; I85-Y491 WeakPolarHBondContact CD1-O 3.35Å; E489-Y491 WeakPolarHBondContact CG-O 3.44Å; Y491-T493 PolarHBondContact O-N 3.33Å; Y491-T507 WeakPolarHBondContact OH-CG2 3.49Å; Y491-Y687 AromaticContact CD1-CE1 3.88Å; Y491-Y687 HydrophobicContact CD1-CE1 3.88Å; Y491-Y687 AromaticContact CD2-CE1 3.94Å; Y491-Y687 HydrophobicContact CD2-CE1 3.94Å; Y491-Y687 HydrophobicContact CE1-CE1 4.01Å; Y491-Y687 AromaticContact CE1-CZ 3.73Å; Y491-Y687 WeakPolarHBondContact CE1-OH 3.45Å; Y491-Y687 HydrophobicContact CE2-CE1 4.05Å; Y491-Y687 WeakPolarHBondContact CE2-OH 3.35Å; Y491-Y687 AromaticContact CG-CE1 3.86Å; Y491-Y687 HydrophobicContact CG-CE1 3.86Å; Y491-Y687 AromaticContact CZ-CZ 3.77Å; Y491-Y687 PolarHBondContact OH-OH 2.92Å; Y491-W751 HydrophobicContact CG-CH2 4.49Å
492	W	97.3	Very high	97.6	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.008	5%	0.053	C	C	.	.			trans	-72.9	61.3	173.4	-78.5	111.6	0	0	0	112.9	A83 I85 M89 Y110 A496 K497 V502 W751 P805	A83-W492 PolarHBondContact O-N 3.44Å; I85-W492 HydrophobicContact CG1-CD2 3.91Å; I85-W492 HydrophobicContact CG1-CG 3.91Å; I85-W492 HydrophobicContact CG2-CZ2 4.43Å; M89-W492 HydrophobicContact CB-CH2 4.01Å; M89-W492 HydrophobicContact CB-CZ2 4.24Å; M89-W492 HydrophobicContact CE-CZ2 4.23Å; M89-W492 HydrophobicContact CG-CH2 4.15Å; M89-W492 HydrophobicContact CG-CZ2 3.86Å; Y110-W492 AromaticContact CD1-CH2 3.93Å; Y110-W492 HydrophobicContact CD1-CH2 3.93Å; Y110-W492 HydrophobicContact CD1-CZ3 4.46Å; Y110-W492 HydrophobicContact CD2-CH2 4.12Å; Y110-W492 HydrophobicContact CD2-CZ3 4.36Å; Y110-W492 HydrophobicContact CE1-CH2 4.09Å; Y110-W492 HydrophobicContact CE1-CZ3 4.18Å; Y110-W492 HydrophobicContact CE2-CH2 4.28Å; Y110-W492 HydrophobicContact CE2-CZ3 4.09Å; Y110-W492 AromaticContact CG-CH2 3.94Å; Y110-W492 HydrophobicContact CG-CH2 3.94Å; Y110-W492 AromaticContact CZ-CZ3 3.99Å; W492-A496 HydrophobicContact CE3-CB 3.93Å; W492-A496 HydrophobicContact CZ3-CB 4.38Å; W492-K497 HydrophobicContact CE3-CG 4.12Å; W492-K497 VanDerWaalsContact O-CE 3.29Å; W492-K497 WeakPolarHBondContact O-CE 3.35Å; W492-V502 HydrophobicContact CH2-CB 4.24Å; W492-V502 HydrophobicContact CH2-CG1 4.36Å; W492-V502 HydrophobicContact CH2-CG2 4.05Å; W492-V502 HydrophobicContact CZ3-CB 4.36Å; W492-V502 HydrophobicContact CZ3-CG1 4.3Å; W492-V502 HydrophobicContact CZ3-CG2 3.8Å; W492-W751 WeakPolarHBondContact O-CZ3 3.3Å; W492-P805 HydrophobicContact CD2-CG 3.84Å; W492-P805 VanDerWaalsContact CE2-CD 3.49Å; W492-P805 HydrophobicContact CE3-CG 3.72Å; W492-P805 HydrophobicContact CH2-CG 3.66Å; W492-P805 HydrophobicContact CZ2-CG 3.76Å; W492-P805 HydrophobicContact CZ3-CG 3.64Å
493	T	96.8	Very high	97.6	Very high	11 Å²	11	10.4 Å²	10.4	7%	0.067	5%	0.051	C	C	.	.			trans	-61.5	164.3	172	68.4	0	0	0	0	110.8	E489 Y491 A495 A496 K497 W751	E489-T493 HydrophobicContact CG-CG2 4.02Å; Y491-T493 PolarHBondContact O-N 3.33Å; T493-A495 PolarHBondContact O-N 3.37Å; T493-A495 PolarHBondContact OG1-N 3Å; T493-A496 PolarHBondContact O-N 2.86Å; T493-A496 VanDerWaalsContact O-N 3.08Å; T493-A496 PolarHBondContact OG1-N 3.15Å; T493-K497 WeakPolarHBondContact O-CG 3.45Å; T493-K497 PolarHBondContact O-N 3.16Å; T493-W751 HydrophobicContact CG2-CH2 3.93Å; T493-W751 HydrophobicContact CG2-CZ2 3.81Å
494	A	94.9	Very high	97.7	Very high	7 Å²	7	7.6 Å²	7.6	6%	0.058	4%	0.038	C	C	.	.	H	α-helix	trans	-55.8	-35	174.2	0	0	0	0	0	112.3	F466 K497 H498 P752	F466-A494 HydrophobicContact CB-CB 3.66Å; F466-A494 HydrophobicContact CD1-CB 3.97Å; F466-A494 HydrophobicContact CG-CB 4.07Å; A494-K497 PolarHBondContact O-N 3.01Å; A494-H498 PolarHBondContact O-N 3.16Å; A494-H498 PolarHBondContact O-ND1 2.91Å; A494-P752 HydrophobicContact CB-CB 4.2Å; A494-P752 HydrophobicContact CB-CG 4.09Å
495	A	95.4	Very high	97.7	Very high	2 Å²	2	7.8 Å²	7.8	2%	0.017	4%	0.039	C	C	.	.	H	α-helix	trans	-65	-46.3	174.9	0	0	0	0	0	112.2	N465 F466 T493 K497 H498 A499	N465-A495 WeakPolarHBondContact OD1-CB 3.47Å; F466-A495 HydrophobicContact CD2-CB 3.91Å; F466-A495 HydrophobicContact CG-CB 4.5Å; T493-A495 PolarHBondContact O-N 3.37Å; T493-A495 PolarHBondContact OG1-N 3Å; A495-K497 VanDerWaalsContact C-N 3.3Å; A495-K497 PolarHBondContact O-N 3.05Å; A495-H498 CarbonylContact O-C 3.31Å; A495-H498 PolarHBondContact O-N 2.83Å; A495-A499 PolarHBondContact O-N 3.15Å
496	A	97.1	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.3	-38.8	176.1	0	0	0	0	0	111.7	I85 Y110 V487 W492 T493 H498 A499 V502	I85-A496 HydrophobicContact CD1-CB 4.32Å; Y110-A496 PolarHBondContact OH-O 2.8Å; V487-A496 HydrophobicContact CG1-CB 4.08Å; W492-A496 HydrophobicContact CE3-CB 3.93Å; W492-A496 HydrophobicContact CZ3-CB 4.38Å; T493-A496 PolarHBondContact O-N 2.86Å; T493-A496 VanDerWaalsContact O-N 3.08Å; T493-A496 PolarHBondContact OG1-N 3.15Å; A496-H498 PolarHBondContact O-N 2.94Å; A496-A499 PolarHBondContact O-N 3.18Å; A496-V502 HydrophobicContact CB-CG1 4.27Å; A496-V502 HydrophobicContact CB-CG2 4.48Å; A496-V502 WeakPolarHBondContact O-CG2 3.35Å
497	K	96.1	Very high	97.7	Very high	37 Å²	37	8 Å²	8	16%	0.161	4%	0.041	C	C	.	.	H	α-helix	trans	-64.7	-18	175.2	-69.1	175.1	175.2	178.6	0	113.4	Y110 W492 T493 A494 A495 T800 A801 D803	Y110-K497 PolarHBondContact OH-O 3.32Å; W492-K497 HydrophobicContact CE3-CG 4.12Å; W492-K497 VanDerWaalsContact O-CE 3.29Å; W492-K497 WeakPolarHBondContact O-CE 3.35Å; T493-K497 WeakPolarHBondContact O-CG 3.45Å; T493-K497 PolarHBondContact O-N 3.16Å; A494-K497 PolarHBondContact O-N 3.01Å; A495-K497 VanDerWaalsContact C-N 3.3Å; A495-K497 PolarHBondContact O-N 3.05Å; K497-T800 PolarHBondContact NZ-O 3.21Å; K497-A801 PolarHBondContact NZ-O 3.16Å; K497-D803 WeakPolarHBondContact CE-O 3.33Å; K497-D803 PolarHBondContact NZ-O 2.65Å
498	H	96.4	Very high	97.6	Very high	28 Å²	28	8.1 Å²	8.1	13%	0.13	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	19	178.2	-67.5	74.4	0	0	0	113.5	R105 F466 A494 A495 A496	R105-H498 HydrophobicContact CB-CB 4.48Å; R105-H498 WeakPolarHBondContact CD-O 3.42Å; R105-H498 PolarHBondContact O-CD2 3.41Å; R105-H498 VanDerWaalsContact O-CD2 3.23Å; F466-H498 HydrophobicContact CE1-CB 3.94Å; F466-H498 AromaticContact CE1-CD2 3.58Å; F466-H498 AromaticContact CE1-CE1 3.61Å; F466-H498 AromaticContact CE1-CG 3.4Å; F466-H498 VanDerWaalsContact CE1-CG 3.4Å; F466-H498 AromaticContact CE1-ND1 3.41Å; F466-H498 WeakPolarHBondContact CE1-ND1 3.41Å; F466-H498 AromaticContact CE1-NE2 3.7Å; F466-H498 HydrophobicContact CE2-CB 4.23Å; F466-H498 HydrophobicContact CZ-CB 3.52Å; F466-H498 AromaticContact CZ-CD2 3.83Å; F466-H498 AromaticContact CZ-CG 3.52Å; F466-H498 AromaticContact CZ-ND1 3.95Å; A494-H498 PolarHBondContact O-N 3.16Å; A494-H498 PolarHBondContact O-ND1 2.91Å; A495-H498 CarbonylContact O-C 3.31Å; A495-H498 PolarHBondContact O-N 2.83Å; A496-H498 PolarHBondContact O-N 2.94Å
499	A	97.9	Very high	97.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.			trans	-88.7	164.1	176.4	0	0	0	0	0	111.9	Y110 V487 A495 A496 V502	Y110-A499 PolarHBondContact OH-N 2.83Å; Y110-A499 PolarHBondContact OH-O 2.99Å; V487-A499 HydrophobicContact CB-CB 3.98Å; V487-A499 HydrophobicContact CG2-CB 3.69Å; A495-A499 PolarHBondContact O-N 3.15Å; A496-A499 PolarHBondContact O-N 3.18Å; A499-V502 HydrophobicContact CB-CG2 3.68Å
500	D	98.6	Very high	97.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-87.2	-36.4	164	-62.8	-55.5	0	0	0	110.9	V90 R91 Y94 R105 M484 I485	V90-D500 CarbonylContact C-O 3.48Å; V90-D500 WeakPolarHBondContact CA-O 3.31Å; R91-D500 IonicContact CZ-OD1 3.21Å; R91-D500 PolarHBondContact N-O 3.49Å; R91-D500 IonicContact NE-OD1 2.82Å; R91-D500 PolarHBondContact NE-OD1 3.38Å; R91-D500 IonicContact NH2-OD1 2.79Å; R91-D500 PolarHBondContact NH2-OD1 3.31Å; Y94-D500 HydrophobicContact CD1-CB 3.93Å; Y94-D500 HydrophobicContact CD2-CB 3.77Å; Y94-D500 HydrophobicContact CE1-CB 4.32Å; Y94-D500 HydrophobicContact CE2-CB 4.18Å; Y94-D500 HydrophobicContact CG-CB 3.64Å; R105-D500 IonicContact CZ-OD1 2.78Å; R105-D500 IonicContact CZ-OD2 3.76Å; R105-D500 VanDerWaalsContact CZ-OD2 3.24Å; R105-D500 VanDerWaalsContact NE-CG 3.33Å; R105-D500 IonicContact NE-OD1 3.66Å; R105-D500 PolarHBondContact NE-OD1 3.03Å; R105-D500 IonicContact NE-OD2 3.45Å; R105-D500 PolarHBondContact NE-OD2 2.82Å; R105-D500 IonicContact NH2-OD1 3.52Å; R105-D500 IonicContact NH2-OD2 2.77Å; R105-D500 PolarHBondContact NH2-OD2 3.39Å; M484-D500 WeakPolarHBondContact CA-OD2 3.43Å; I485-D500 PolarHBondContact N-OD2 3.14Å; I485-D500 PolarHBondContact O-N 3.27Å
501	I	98.7	Very high	97.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.8	179.2	-52.8	173.4	0	0	0	108.9	M89 V90 Y94 L121 I122 M484 I485 V486 V487 L503	M89-I501 WeakPolarHBondContact O-CA 3.23Å; V90-I501 HydrophobicContact CG1-CG1 4.29Å; V90-I501 HydrophobicContact CG2-CG1 4.34Å; V90-I501 HydrophobicContact CG2-CG2 4.36Å; Y94-I501 HydrophobicContact CD1-CD1 4.49Å; Y94-I501 HydrophobicContact CD1-CG1 4.3Å; Y94-I501 HydrophobicContact CE1-CD1 4.06Å; Y94-I501 HydrophobicContact CE1-CG1 4.31Å; L121-I501 HydrophobicContact CB-CD1 4.45Å; L121-I501 HydrophobicContact CD2-CD1 3.77Å; L121-I501 HydrophobicContact CD2-CG1 4.31Å; L121-I501 HydrophobicContact CG-CD1 3.86Å; I122-I501 HydrophobicContact CD1-CD1 4.5Å; I122-I501 HydrophobicContact CD1-CG2 3.96Å; I122-I501 HydrophobicContact CG1-CD1 3.56Å; I122-I501 HydrophobicContact CG1-CG2 4.16Å; M484-I501 HydrophobicContact SD-CD1 4.28Å; I485-I501 PolarHBondContact O-N 3.27Å; I485-I501 VanDerWaalsContact O-N 3.17Å; V486-I501 WeakPolarHBondContact CA-O 3.41Å; V486-I501 HydrophobicContact CG1-CB 4.46Å; V486-I501 HydrophobicContact CG2-CB 4.42Å; V487-I501 PolarHBondContact N-O 2.82Å; I501-L503 HydrophobicContact CG2-CD2 4.12Å
502	V	98.6	Very high	97.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.5	178.6	-175.4	0	0	0	0	109.5	I85 M89 Y110 V487 W492 A496 A499	I85-V502 HydrophobicContact CD1-CG1 3.45Å; I85-V502 VanDerWaalsContact CD1-CG1 3.45Å; I85-V502 HydrophobicContact CG1-CG1 4.17Å; I85-V502 HydrophobicContact CG2-CG1 4Å; M89-V502 HydrophobicContact CB-CB 4.33Å; M89-V502 PolarHBondContact N-O 3.49Å; M89-V502 PolarHBondContact O-N 2.98Å; Y110-V502 HydrophobicContact CE1-CG2 3.89Å; V487-V502 WeakPolarHBondContact O-CA 3.22Å; W492-V502 HydrophobicContact CH2-CB 4.24Å; W492-V502 HydrophobicContact CH2-CG1 4.36Å; W492-V502 HydrophobicContact CH2-CG2 4.05Å; W492-V502 HydrophobicContact CZ3-CB 4.36Å; W492-V502 HydrophobicContact CZ3-CG1 4.3Å; W492-V502 HydrophobicContact CZ3-CG2 3.8Å; A496-V502 HydrophobicContact CB-CG1 4.27Å; A496-V502 HydrophobicContact CB-CG2 4.48Å; A496-V502 WeakPolarHBondContact O-CG2 3.35Å; A499-V502 HydrophobicContact CB-CG2 3.68Å
503	L	98.8	Very high	97.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.9	179.6	-56.8	-179.1	0	0	0	109.9	W115 A118 I122 W459 V486 V487 E489 I501 I505 V544	W115-L503 HydrophobicContact CE3-CD2 4.48Å; W115-L503 HydrophobicContact CH2-CB 4.05Å; W115-L503 HydrophobicContact CZ3-CB 4.18Å; W115-L503 HydrophobicContact CZ3-CD1 4.37Å; W115-L503 HydrophobicContact CZ3-CD2 3.91Å; W115-L503 HydrophobicContact CZ3-CG 4.38Å; A118-L503 HydrophobicContact CB-CD2 4.05Å; I122-L503 HydrophobicContact CD1-CD1 3.83Å; I122-L503 HydrophobicContact CD1-CD2 4.02Å; I122-L503 HydrophobicContact CD1-CG 4.26Å; W459-L503 HydrophobicContact CZ2-CD1 3.93Å; V486-L503 HydrophobicContact CG1-CD1 4.34Å; V486-L503 HydrophobicContact CG1-CG 4.49Å; V487-L503 PolarHBondContact O-N 2.83Å; E489-L503 PolarHBondContact N-O 3.22Å; E489-L503 VanDerWaalsContact N-O 3.16Å; I501-L503 HydrophobicContact CG2-CD2 4.12Å; L503-I505 PolarHBondContact O-N 2.87Å; L503-V544 HydrophobicContact CD1-CG1 3.94Å
504	P	98.5	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.6	177.8	28.4	-33.3	0	0	0	110.8	I85 H87 P88 W115 A538 R539	I85-P504 HydrophobicContact CB-CB 4.18Å; I85-P504 HydrophobicContact CG2-CB 3.82Å; I85-P504 WeakPolarHBondContact O-CB 3.33Å; H87-P504 VanDerWaalsContact C-CG 3.49Å; P88-P504 HydrophobicContact CG-CG 4.28Å; W115-P504 HydrophobicContact CH2-CG 4.34Å; W115-P504 HydrophobicContact CZ2-CG 3.66Å; W115-P504 WeakPolarHBondContact CZ2-O 3.38Å; P504-A538 HydrophobicContact CB-CB 4.43Å; P504-A538 WeakPolarHBondContact O-CA 3.47Å; P504-R539 PolarHBondContact O-N 3.44Å; P504-R539 VanDerWaalsContact O-N 3.13Å
505	I	98.6	Very high	98	Very high	4 Å²	4	5.9 Å²	5.9	2%	0.021	3%	0.029	C	C	.	.	B	Isolated β-bridge	trans	-109.1	147.9	-179.8	-58.9	-57.5	0	0	0	111.6	R84 E489 C490 L503 R539 D541 V544	R84-I505 PolarHBondContact NH1-O 2.93Å; R84-I505 PolarHBondContact NH2-O 2.77Å; E489-I505 PolarHBondContact O-N 2.69Å; C490-I505 PolarHBondContact SG-O 3.39Å; L503-I505 PolarHBondContact O-N 2.87Å; I505-R539 WeakPolarHBondContact CA-O 3.28Å; I505-D541 WeakPolarHBondContact CG2-OD2 3.22Å; I505-V544 HydrophobicContact CD1-CG2 4.24Å
506	T	98.7	Very high	98.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.031	C	C	.	.			trans	-66.6	140.9	173	52.1	0	0	0	0	112.2	E510 R511 P534 A538 R539 N540	T506-E510 HydrophobicContact CG2-CB 4.04Å; T506-R511 PolarHBondContact O-NH1 3.36Å; T506-R511 WeakPolarHBondContact OG1-CD 3.35Å; T506-R511 PolarHBondContact OG1-NH1 2.99Å; T506-P534 HydrophobicContact CG2-CB 3.97Å; T506-P534 HydrophobicContact CG2-CG 4.11Å; T506-A538 HydrophobicContact CG2-CB 4.27Å; T506-R539 PolarHBondContact N-O 3.29Å; T506-R539 VanDerWaalsContact N-O 3.08Å; T506-N540 PolarHBondContact OG1-OD1 3.42Å
507	T	98.3	Very high	98.2	Very high	4 Å²	4	6.3 Å²	6.3	3%	0.025	3%	0.031	C	C	.	.			trans	-69.7	168.2	162.1	70	0	0	0	0	111.2	Q78 C490 Y491 F509 E510	Q78-T507 WeakPolarHBondContact O-CG2 3.47Å; C490-T507 HydrophobicContact CB-CG2 4.37Å; Y491-T507 WeakPolarHBondContact OH-CG2 3.49Å; T507-F509 PolarHBondContact O-N 3.42Å; T507-F509 VanDerWaalsContact O-N 3.16Å; T507-F509 PolarHBondContact OG1-N 3.43Å; T507-E510 WeakPolarHBondContact CA-OE2 3.26Å; T507-E510 VanDerWaalsContact CB-OE2 3.22Å; T507-E510 WeakPolarHBondContact CB-OE2 3.44Å; T507-E510 VanDerWaalsContact CG2-OE2 3.26Å; T507-E510 WeakPolarHBondContact CG2-OE2 3.48Å; T507-E510 PolarHBondContact N-OE2 2.76Å; T507-E510 PolarHBondContact O-N 3.43Å; T507-E510 PolarHBondContact OG1-OE2 3.27Å
508	S	97.8	Very high	98.2	Very high	5 Å²	5	4.6 Å²	4.6	4%	0.035	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.6	175.5	57.7	0	0	0	0	114.3	E510	S508-E510 VanDerWaalsContact C-N 3.34Å
509	F	98.3	Very high	98.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.2	177.1	-57.6	-75.9	0	0	0	113	T40 W44 M47 V49 I56 A75 Q78 V79 T507 A531 V532	T40-F509 HydrophobicContact CG2-CD1 4Å; T40-F509 HydrophobicContact CG2-CE1 3.78Å; W44-F509 HydrophobicContact CH2-CE2 4.47Å; W44-F509 AromaticContact CH2-CZ 3.91Å; W44-F509 HydrophobicContact CH2-CZ 3.91Å; M47-F509 HydrophobicContact CE-CE1 4.11Å; M47-F509 HydrophobicContact CE-CZ 4.03Å; V49-F509 HydrophobicContact CG2-CD1 4.22Å; V49-F509 HydrophobicContact CG2-CE1 4.01Å; I56-F509 HydrophobicContact CD1-CB 3.77Å; I56-F509 HydrophobicContact CD1-CD1 4.27Å; I56-F509 HydrophobicContact CD1-CG 4.01Å; A75-F509 HydrophobicContact CB-CD1 4.22Å; A75-F509 HydrophobicContact CB-CE1 3.67Å; A75-F509 HydrophobicContact CB-CE2 4.07Å; A75-F509 HydrophobicContact CB-CZ 3.59Å; Q78-F509 HydrophobicContact CB-CD2 4.45Å; Q78-F509 HydrophobicContact CB-CE2 4.23Å; V79-F509 HydrophobicContact CG2-CB 3.95Å; V79-F509 HydrophobicContact CG2-CD2 4.17Å; V79-F509 HydrophobicContact CG2-CG 4.39Å; T507-F509 PolarHBondContact O-N 3.42Å; T507-F509 VanDerWaalsContact O-N 3.16Å; T507-F509 PolarHBondContact OG1-N 3.43Å; F509-A531 HydrophobicContact CB-CB 4.35Å; F509-A531 PolarHBondContact O-N 2.72Å; F509-V532 PolarHBondContact O-N 2.93Å; F509-V532 VanDerWaalsContact O-N 3.16Å
510	E	98.5	Very high	98.2	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.032	C	C	.	.	S	Bend	trans	-101.6	4	-176.6	-69.1	163.2	90.6	0	0	112.9	R84 T506 T507 S508 Q530 V532 P534 Q535	R84-E510 IonicContact CZ-OE2 3.88Å; R84-E510 IonicContact NH2-OE1 2.69Å; R84-E510 PolarHBondContact NH2-OE1 3.15Å; R84-E510 IonicContact NH2-OE2 3.13Å; R84-E510 PolarHBondContact NH2-OE2 2.95Å; T506-E510 HydrophobicContact CG2-CB 4.04Å; T507-E510 WeakPolarHBondContact CA-OE2 3.26Å; T507-E510 VanDerWaalsContact CB-OE2 3.22Å; T507-E510 WeakPolarHBondContact CB-OE2 3.44Å; T507-E510 VanDerWaalsContact CG2-OE2 3.26Å; T507-E510 WeakPolarHBondContact CG2-OE2 3.48Å; T507-E510 PolarHBondContact N-OE2 2.76Å; T507-E510 PolarHBondContact O-N 3.43Å; T507-E510 PolarHBondContact OG1-OE2 3.27Å; S508-E510 VanDerWaalsContact C-N 3.34Å; E510-Q530 PolarHBondContact O-NE2 3.33Å; E510-V532 WeakPolarHBondContact CA-O 3.43Å; E510-V532 HydrophobicContact CG-CG2 4.03Å; E510-P534 WeakPolarHBondContact OE1-CA 3.41Å; E510-Q535 WeakPolarHBondContact OE1-CB 3.12Å; E510-Q535 WeakPolarHBondContact OE1-CG 3.47Å; E510-Q535 PolarHBondContact OE1-N 3.33Å
511	R	98.3	Very high	98.1	Very high	11 Å²	11	6.4 Å²	6.4	4%	0.042	3%	0.032	C	C	.	.	S	Bend	trans	-150.4	167.3	-174.7	66.4	-165.3	179	-165.4	2.6	112.6	H152 T506 Q530 N540 D541	H152-R511 VanDerWaalsContact CB-CZ 3.47Å; H152-R511 PolarHBondContact O-NH2 2.94Å; T506-R511 PolarHBondContact O-NH1 3.36Å; T506-R511 WeakPolarHBondContact OG1-CD 3.35Å; T506-R511 PolarHBondContact OG1-NH1 2.99Å; R511-Q530 WeakPolarHBondContact O-CA 3.2Å; R511-Q530 PolarHBondContact O-N 2.85Å; R511-N540 VanDerWaalsContact CB-OD1 3.25Å; R511-N540 WeakPolarHBondContact CB-OD1 3.36Å; R511-N540 WeakPolarHBondContact CD-OD1 3.39Å; R511-D541 IonicContact NH1-OD2 3.21Å; R511-D541 PolarHBondContact NH1-OD2 3.37Å
512	N	98.6	Very high	98	Very high	24 Å²	24	8.1 Å²	8.1	13%	0.128	4%	0.042	C	C	.	.			trans	-97.9	142.8	178.1	-57.4	-71.9	0	0	0	111.6	H152 M528 Q530 E566 M567 L570 W595	H152-N512 PolarHBondContact CD2-O 3.05Å; H152-N512 PolarHBondContact NE2-O 2.87Å; N512-M528 CarbonylContact C-O 3.58Å; N512-M528 WeakPolarHBondContact CA-O 3.33Å; N512-Q530 WeakPolarHBondContact OD1-CB 3.34Å; N512-Q530 PolarHBondContact OD1-N 2.71Å; N512-E566 HydrophobicContact CB-CG 4.36Å; N512-E566 WeakPolarHBondContact CB-OE1 3.42Å; N512-E566 PolarHBondContact N-OE2 3.13Å; N512-E566 VanDerWaalsContact N-OE2 3.14Å; N512-E566 PolarHBondContact ND2-OE1 3.39Å; N512-M567 HydrophobicContact CB-SD 4.16Å; N512-L570 HydrophobicContact CB-CD1 3.84Å; N512-W595 HydrophobicContact CB-CH2 3.88Å; N512-W595 HydrophobicContact CB-CZ2 3.86Å
513	D	98.6	Very high	98	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.016	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	-173.6	172.2	-143.9	-42.8	0	0	0	111.7	G149 V150 L151 H152 M528	G149-D513 VanDerWaalsContact CA-OD2 3.24Å; G149-D513 WeakPolarHBondContact CA-OD2 3.47Å; V150-D513 WeakPolarHBondContact CG2-OD1 3.39Å; V150-D513 PolarHBondContact N-OD1 2.8Å; L151-D513 PolarHBondContact N-OD1 2.84Å; L151-D513 PolarHBondContact N-OD2 3.04Å; H152-D513 WeakPolarHBondContact CB-OD2 3.44Å; H152-D513 IonicContact CD2-OD2 2.69Å; H152-D513 PolarHBondContact CD2-OD2 3.01Å; H152-D513 IonicContact CG-OD2 2.73Å; H152-D513 PolarHBondContact N-OD2 3.39Å; D513-M528 HydrophobicContact CB-CB 3.95Å; D513-M528 HydrophobicContact CB-CE 4.36Å; D513-M528 HydrophobicContact CB-SD 4.19Å; D513-M528 PolarHBondContact N-O 3.28Å; D513-M528 WeakPolarHBondContact O-CA 3.36Å; D513-M528 WeakPolarHBondContact O-CB 3.36Å; D513-M528 PolarHBondContact O-N 3.04Å
514	L	98.2	Very high	97.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.6	167.2	-60.9	169.8	0	0	0	109	G149 V150 L404 L570 F591 F594 W595	G149-L514 WeakPolarHBondContact CA-O 3.34Å; V150-L514 WeakPolarHBondContact CG1-O 3.41Å; V150-L514 HydrophobicContact CG2-CB 3.86Å; V150-L514 PolarHBondContact N-O 3.29Å; L404-L514 HydrophobicContact CD1-CB 3.74Å; L404-L514 HydrophobicContact CD2-CD1 3.98Å; L514-L570 HydrophobicContact CD1-CB 4.09Å; L514-L570 HydrophobicContact CD1-CD2 4.49Å; L514-L570 VanDerWaalsContact CD1-O 3.28Å; L514-L570 WeakPolarHBondContact CD1-O 3.5Å; L514-L570 HydrophobicContact CG-CB 4.31Å; L514-L570 HydrophobicContact CG-CD2 4.2Å; L514-F591 HydrophobicContact CD1-CE2 4.49Å; L514-F594 HydrophobicContact CD2-CE1 3.57Å; L514-F594 HydrophobicContact CD2-CZ 4.08Å; L514-W595 HydrophobicContact CD2-CE3 4.2Å; L514-W595 HydrophobicContact CD2-CZ3 3.66Å; L514-W595 HydrophobicContact CG-CZ3 4.42Å
515	T	98.2	Very high	97.9	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.018	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.6	166.8	-169.4	0	0	0	0	111.7	A41 V526 M528	A41-T515 HydrophobicContact CB-CG2 3.6Å; T515-V526 HydrophobicContact CG2-CB 4.11Å; T515-V526 PolarHBondContact N-O 2.82Å; T515-V526 VanDerWaalsContact N-O 3.14Å; T515-V526 PolarHBondContact O-N 2.78Å; T515-M528 HydrophobicContact CG2-CG 4Å; T515-M528 HydrophobicContact CG2-SD 3.67Å
516	M	97.8	Very high	97.9	Very high	12 Å²	12	8.7 Å²	8.7	6%	0.059	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	153.5	157.6	-60.7	-58.2	-63.2	0	0	109.4	S227 L404 N522 H524 I525	S227-M516 WeakPolarHBondContact CB-O 3.45Å; L404-M516 HydrophobicContact CB-CG 4.23Å; L404-M516 HydrophobicContact CB-SD 4.05Å; L404-M516 HydrophobicContact CD1-CG 4.36Å; L404-M516 HydrophobicContact CD1-SD 3.95Å; L404-M516 HydrophobicContact CG-SD 3.85Å; M516-N522 HydrophobicContact CE-CB 3.7Å; M516-H524 CarbonylContact C-O 3.2Å; M516-H524 VanDerWaalsContact CA-O 3.29Å; M516-H524 WeakPolarHBondContact CA-O 3.34Å; M516-I525 HydrophobicContact CE-CG1 4.12Å; M516-I525 HydrophobicContact SD-CD1 4.28Å; M516-I525 HydrophobicContact SD-CG1 3.47Å; M516-I525 WeakPolarHBondContact SD-CG1 3.39Å
517	T	97.8	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.1	156.4	57.3	0	0	0	0	109.5	S227 N522 Q523 H524 V526	S227-T517 CarbonylContact O-C 3.53Å; S227-T517 WeakPolarHBondContact O-CA 3.24Å; T517-N522 CarbonylContact O-C 3.36Å; T517-Q523 PolarHBondContact O-N 3.13Å; T517-H524 PolarHBondContact N-O 2.79Å; T517-H524 WeakPolarHBondContact OG1-CB 3.35Å; T517-H524 VanDerWaalsContact OG1-CG 3.29Å; T517-H524 PolarHBondContact OG1-N 2.62Å; T517-H524 PolarHBondContact OG1-ND1 2.8Å; T517-V526 HydrophobicContact CG2-CG2 3.61Å
518	G	96.4	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.			trans	80.9	100.8	-179	0	0	0	0	0	113	S227 D229 Y520 S521 N522	S227-G518 PolarHBondContact O-N 2.98Å; D229-G518 WeakPolarHBondContact OD2-CA 3.25Å; G518-Y520 VanDerWaalsContact C-N 3.27Å; G518-Y520 PolarHBondContact O-N 2.93Å; G518-S521 WeakPolarHBondContact CA-OG 3.28Å; G518-S521 PolarHBondContact O-N 3.31Å; G518-N522 WeakPolarHBondContact O-CA 3.34Å; G518-N522 PolarHBondContact O-N 3.07Å
519	D	97	Very high	97.8	Very high	44 Å²	44	9.8 Å²	9.8	24%	0.235	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.5	-178.2	-62.2	-83.3	0	0	0	113.5	A224 W225 S226 S392	A224-D519 WeakPolarHBondContact CB-OD2 3.4Å; W225-D519 WeakPolarHBondContact CB-OD1 3.34Å; W225-D519 PolarHBondContact N-OD2 2.85Å; W225-D519 VanDerWaalsContact N-OD2 3.13Å; S226-D519 VanDerWaalsContact CB-OD1 3.31Å; S226-D519 WeakPolarHBondContact CB-OD1 3.33Å; S226-D519 PolarHBondContact N-OD1 2.95Å; S226-D519 PolarHBondContact N-OD2 3.19Å; S226-D519 PolarHBondContact OG-OD1 3.2Å; S226-D519 PolarHBondContact OG-OD2 3.17Å; S392-D519 WeakPolarHBondContact CB-OD2 3.24Å
520	Y	97.4	Very high	97.8	Very high	22 Å²	22	12.4 Å²	12.4	9%	0.086	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-32.7	175.1	-62.9	-73.1	0	0	0	113	Y194 E195 Q196 S388 Y391 S392 G394 T398 G518	Y194-Y520 WeakPolarHBondContact CA-OH 3.39Å; Y194-Y520 WeakPolarHBondContact O-CE1 3.29Å; E195-Y520 WeakPolarHBondContact O-CE1 3.23Å; Q196-Y520 HydrophobicContact CB-CD1 4.41Å; S388-Y520 WeakPolarHBondContact CB-OH 3.48Å; S388-Y520 WeakPolarHBondContact OG-CE2 3.15Å; S388-Y520 VanDerWaalsContact OG-CZ 3.26Å; S388-Y520 PolarHBondContact OG-OH 3.29Å; Y391-Y520 HydrophobicContact CD1-CE2 4.08Å; Y391-Y520 WeakPolarHBondContact O-CE2 3.44Å; S392-Y520 WeakPolarHBondContact O-CD2 3.2Å; G394-Y520 VanDerWaalsContact CA-CD2 3.4Å; T398-Y520 PolarHBondContact OG1-O 3.47Å; G518-Y520 VanDerWaalsContact C-N 3.27Å; G518-Y520 PolarHBondContact O-N 2.93Å
521	S	97.6	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-28.5	-170.8	69.7	0	0	0	0	112.8	D229 N396 R399 G518 Q523	D229-S521 WeakPolarHBondContact OD2-CB 3.4Å; D229-S521 PolarHBondContact OD2-OG 3.24Å; N396-S521 WeakPolarHBondContact ND2-CB 3.09Å; N396-S521 PolarHBondContact ND2-OG 2.85Å; R399-S521 WeakPolarHBondContact CB-O 3.4Å; R399-S521 WeakPolarHBondContact CG-O 3.5Å; R399-S521 PolarHBondContact N-O 3.36Å; G518-S521 WeakPolarHBondContact CA-OG 3.28Å; G518-S521 PolarHBondContact O-N 3.31Å; S521-Q523 PolarHBondContact O-N 2.85Å; S521-Q523 WeakPolarHBondContact OG-CB 3.21Å; S521-Q523 PolarHBondContact OG-N 2.81Å
522	N	96.9	Very high	97.7	Very high	37 Å²	37	12.3 Å²	12.3	20%	0.198	6%	0.062	C	C	.	.			trans	50	41.3	-168.6	-68.8	-52.9	0	0	0	112.1	V403 M516 T517 G518 H524 M603	V403-N522 HydrophobicContact CG2-CB 4.22Å; M516-N522 HydrophobicContact CE-CB 3.7Å; T517-N522 CarbonylContact O-C 3.36Å; G518-N522 WeakPolarHBondContact O-CA 3.34Å; G518-N522 PolarHBondContact O-N 3.07Å; N522-H524 PolarHBondContact O-N 2.92Å; N522-M603 WeakPolarHBondContact O-CB 3.46Å; N522-M603 VanDerWaalsContact O-CG 3.32Å; N522-M603 WeakPolarHBondContact O-CG 3.43Å
523	Q	97.2	Very high	97.7	Very high	8 Å²	8	12.6 Å²	12.6	4%	0.037	7%	0.067	C	C	.	.			trans	-69	-38.8	-164.3	-169.7	172.9	-30.6	0	0	113.9	D229 N396 R399 T517 S521 M603	D229-Q523 HydrophobicContact CB-CB 4.22Å; N396-Q523 PolarHBondContact ND2-OE1 3.43Å; R399-Q523 HydrophobicContact CG-CB 4.27Å; R399-Q523 HydrophobicContact CG-CG 4.27Å; T517-Q523 PolarHBondContact O-N 3.13Å; S521-Q523 PolarHBondContact O-N 2.85Å; S521-Q523 WeakPolarHBondContact OG-CB 3.21Å; S521-Q523 PolarHBondContact OG-N 2.81Å; Q523-M603 PolarHBondContact O-N 3.06Å
524	H	97.7	Very high	97.6	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.037	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152	179.8	-36.8	91.7	0	0	0	113.3	M516 T517 N522 V526 L600 I601	M516-H524 CarbonylContact C-O 3.2Å; M516-H524 VanDerWaalsContact CA-O 3.29Å; M516-H524 WeakPolarHBondContact CA-O 3.34Å; T517-H524 PolarHBondContact N-O 2.79Å; T517-H524 WeakPolarHBondContact OG1-CB 3.35Å; T517-H524 VanDerWaalsContact OG1-CG 3.29Å; T517-H524 PolarHBondContact OG1-N 2.62Å; T517-H524 PolarHBondContact OG1-ND1 2.8Å; N522-H524 PolarHBondContact O-N 2.92Å; H524-V526 HydrophobicContact CB-CG2 4.46Å; H524-L600 HydrophobicContact CB-CB 4.43Å; H524-L600 HydrophobicContact CB-CD1 4.27Å; H524-I601 CarbonylContact C-O 3.47Å; H524-I601 WeakPolarHBondContact CA-O 3.31Å; H524-I601 WeakPolarHBondContact CB-O 3.13Å
525	I	98	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.6	159.5	-72.5	172.9	0	0	0	108.4	L404 M516 A577 M588 F594 L600 I601 M603	L404-I525 HydrophobicContact CD1-CG1 4.18Å; L404-I525 HydrophobicContact CD1-CG2 4.12Å; L404-I525 HydrophobicContact CD2-CD1 4.38Å; L404-I525 HydrophobicContact CG-CD1 4.14Å; L404-I525 HydrophobicContact CG-CG1 4.14Å; M516-I525 HydrophobicContact CE-CG1 4.12Å; M516-I525 HydrophobicContact SD-CD1 4.28Å; M516-I525 HydrophobicContact SD-CG1 3.47Å; M516-I525 WeakPolarHBondContact SD-CG1 3.39Å; I525-A577 HydrophobicContact CD1-CB 4.18Å; I525-M588 HydrophobicContact CD1-CE 3.5Å; I525-M588 HydrophobicContact CD1-SD 4.29Å; I525-F594 HydrophobicContact CG2-CE1 4.36Å; I525-F594 HydrophobicContact CG2-CE2 4.07Å; I525-F594 HydrophobicContact CG2-CZ 3.65Å; I525-L600 CarbonylContact O-C 3.59Å; I525-L600 VanDerWaalsContact O-CA 3.28Å; I525-L600 WeakPolarHBondContact O-CA 3.48Å; I525-I601 HydrophobicContact CB-CB 4.42Å; I525-I601 PolarHBondContact N-O 3.46Å; I525-I601 PolarHBondContact O-N 3.29Å; I525-M603 HydrophobicContact CB-CE 4.17Å; I525-M603 HydrophobicContact CD1-CE 3.36Å; I525-M603 HydrophobicContact CG1-CE 3.57Å
526	V	98.1	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.2	-178.5	-171	0	0	0	0	110.2	L39 A41 A46 T515 T517 H524 M528 L600	L39-V526 HydrophobicContact CD2-CG1 4.35Å; L39-V526 HydrophobicContact CG-CG1 4.2Å; A41-V526 HydrophobicContact CB-CB 4.42Å; A41-V526 HydrophobicContact CB-CG1 4.05Å; A46-V526 HydrophobicContact CB-CG1 4.22Å; A46-V526 HydrophobicContact CB-CG2 4.17Å; T515-V526 HydrophobicContact CG2-CB 4.11Å; T515-V526 PolarHBondContact N-O 2.82Å; T515-V526 VanDerWaalsContact N-O 3.14Å; T515-V526 PolarHBondContact O-N 2.78Å; T517-V526 HydrophobicContact CG2-CG2 3.61Å; H524-V526 HydrophobicContact CB-CG2 4.46Å; V526-M528 PolarHBondContact O-N 3.31Å; V526-L600 HydrophobicContact CG2-CB 4.15Å
527	P	97.9	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.7	168	30.3	-29.8	0	0	0	108.7	L39 K529 F594 W595	L39-P527 HydrophobicContact CD2-CG 4.13Å; L39-P527 VanDerWaalsContact O-O 3.1Å; P527-K529 HydrophobicContact CB-CG 4.38Å; P527-K529 PolarHBondContact O-N 3.19Å; P527-F594 HydrophobicContact CB-CE1 4.05Å; P527-F594 HydrophobicContact CB-CE2 4.42Å; P527-F594 HydrophobicContact CB-CZ 3.72Å; P527-F594 HydrophobicContact CG-CE2 4.17Å; P527-F594 HydrophobicContact CG-CZ 3.94Å; P527-W595 HydrophobicContact CB-CE3 4.09Å; P527-W595 HydrophobicContact CB-CZ3 4.06Å
528	M	98.2	Very high	97.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	81.2	172.3	-65	178.3	54	0	0	108.2	T40 A41 N512 D513 T515 V526	T40-M528 WeakPolarHBondContact OG1-CA 3.15Å; A41-M528 HydrophobicContact CB-CG 4.01Å; A41-M528 HydrophobicContact CB-SD 4.39Å; A41-M528 WeakPolarHBondContact O-CE 3.25Å; N512-M528 CarbonylContact C-O 3.58Å; N512-M528 WeakPolarHBondContact CA-O 3.33Å; D513-M528 HydrophobicContact CB-CB 3.95Å; D513-M528 HydrophobicContact CB-CE 4.36Å; D513-M528 HydrophobicContact CB-SD 4.19Å; D513-M528 PolarHBondContact N-O 3.28Å; D513-M528 WeakPolarHBondContact O-CA 3.36Å; D513-M528 WeakPolarHBondContact O-CB 3.36Å; D513-M528 PolarHBondContact O-N 3.04Å; T515-M528 HydrophobicContact CG2-CG 4Å; T515-M528 HydrophobicContact CG2-SD 3.67Å; V526-M528 PolarHBondContact O-N 3.31Å
529	K	97.7	Very high	97.7	Very high	31 Å²	31	28.4 Å²	28.4	14%	0.135	14%	0.142	C	C	.	.			trans	-74	144.2	-179.5	-65.8	-173.5	179.7	179.7	0	111	I38 P527 A531 W595 N598	I38-K529 HydrophobicContact CG2-CB 3.71Å; I38-K529 HydrophobicContact CG2-CD 4.47Å; P527-K529 HydrophobicContact CB-CG 4.38Å; P527-K529 PolarHBondContact O-N 3.19Å; K529-A531 PolarHBondContact O-N 3.34Å; K529-W595 WeakPolarHBondContact CE-O 3.38Å; K529-W595 HydrophobicContact CG-CH2 4.38Å; K529-W595 HydrophobicContact CG-CZ2 3.94Å; K529-W595 PolarHBondContact NZ-O 3.5Å; K529-N598 WeakPolarHBondContact CD-OD1 3.39Å; K529-N598 PolarHBondContact NZ-OD1 3.05Å
530	Q	97.7	Very high	97.8	Very high	55 Å²	55	27.2 Å²	27.2	26%	0.257	14%	0.136	S	C	.	.			trans	-57.9	124.8	166.6	179.4	174.4	5.3	0	0	109.8	E510 R511 N512 V532	E510-Q530 PolarHBondContact O-NE2 3.33Å; R511-Q530 WeakPolarHBondContact O-CA 3.2Å; R511-Q530 PolarHBondContact O-N 2.85Å; N512-Q530 WeakPolarHBondContact OD1-CB 3.34Å; N512-Q530 PolarHBondContact OD1-N 2.71Å; Q530-V532 WeakPolarHBondContact CG-O 3.43Å; Q530-V532 PolarHBondContact NE2-O 3.17Å
531	A	97.4	Very high	97.8	Very high	8 Å²	8	26.3 Å²	26.3	7%	0.066	13%	0.133	C	C	.	.			trans	-92.6	-34.8	179.2	0	0	0	0	0	112.3	I38 V49 V51 I56 F509 K529	I38-A531 HydrophobicContact CD1-CB 4.35Å; V49-A531 HydrophobicContact CG1-CB 4.07Å; V51-A531 HydrophobicContact CG2-CB 4.21Å; V51-A531 WeakPolarHBondContact CG2-O 3.35Å; I56-A531 HydrophobicContact CD1-CB 4.08Å; I56-A531 HydrophobicContact CG1-CB 4.33Å; F509-A531 HydrophobicContact CB-CB 4.35Å; F509-A531 PolarHBondContact O-N 2.72Å; K529-A531 PolarHBondContact O-N 3.34Å
532	V	97.6	Very high	97.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	13%	0.134	C	C	.	.	S	Bend	trans	-141.5	163.5	179.7	-67.7	0	0	0	0	110.8	V51 G54 I56 V79 F509 E510 Q530	V51-V532 HydrophobicContact CG1-CG1 4.24Å; V51-V532 HydrophobicContact CG2-CG1 4.5Å; G54-V532 WeakPolarHBondContact O-CG1 3.3Å; I56-V532 HydrophobicContact CD1-CG1 4.48Å; I56-V532 HydrophobicContact CD1-CG2 4.38Å; I56-V532 HydrophobicContact CG1-CG1 3.76Å; I56-V532 HydrophobicContact CG1-CG2 4.49Å; V79-V532 HydrophobicContact CG1-CG2 4.08Å; V79-V532 HydrophobicContact CG2-CG2 4.5Å; F509-V532 PolarHBondContact O-N 2.93Å; F509-V532 VanDerWaalsContact O-N 3.16Å; E510-V532 WeakPolarHBondContact CA-O 3.43Å; E510-V532 HydrophobicContact CG-CG2 4.03Å; Q530-V532 WeakPolarHBondContact CG-O 3.43Å; Q530-V532 PolarHBondContact NE2-O 3.17Å
533	A	97.5	Very high	97.9	Very high	29 Å²	29	27.5 Å²	27.5	24%	0.24	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-58.3	155.3	167.6	0	0	0	0	0	111.8	W30 Q535	W30-A533 HydrophobicContact CH2-CB 3.29Å; W30-A533 HydrophobicContact CZ2-CB 3.57Å; W30-A533 HydrophobicContact CZ3-CB 4.49Å; A533-Q535 PolarHBondContact O-N 2.93Å; A533-Q535 PolarHBondContact O-NE2 2.84Å
534	P	98.2	Very high	98	Very high	58 Å²	58	27.1 Å²	27.1	38%	0.377	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-46.4	132.1	159.5	-27	35.9	0	0	0	111.9	T506 E510 A538	T506-P534 HydrophobicContact CG2-CB 3.97Å; T506-P534 HydrophobicContact CG2-CG 4.11Å; E510-P534 WeakPolarHBondContact OE1-CA 3.41Å; P534-A538 WeakPolarHBondContact CB-O 3.06Å
535	Q	97.4	Very high	98.1	Very high	45 Å²	45	26.7 Å²	26.7	21%	0.21	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-87.1	140.4	179.7	-58.1	-59.1	-68.1	0	0	110.4	V79 E510 A533 E537 A538	V79-Q535 HydrophobicContact CG1-CG 3.61Å; E510-Q535 WeakPolarHBondContact OE1-CB 3.12Å; E510-Q535 WeakPolarHBondContact OE1-CG 3.47Å; E510-Q535 PolarHBondContact OE1-N 3.33Å; A533-Q535 PolarHBondContact O-N 2.93Å; A533-Q535 PolarHBondContact O-NE2 2.84Å; Q535-E537 PolarHBondContact O-N 3.47Å; Q535-A538 WeakPolarHBondContact O-CB 3.33Å; Q535-A538 PolarHBondContact O-N 3.15Å; Q535-A538 VanDerWaalsContact O-N 3.08Å
536	F	97	Very high	98.1	Very high	112 Å²	112	26.8 Å²	26.8	49%	0.491	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-127.9	-179.5	-44.9	-76.6	0	0	0	111.4	R84 Q86	R84-F536 HydrophobicContact CB-CE2 4.07Å; R84-F536 HydrophobicContact CG-CE2 4.44Å; Q86-F536 HydrophobicContact CB-CB 3.92Å; Q86-F536 HydrophobicContact CB-CD1 4.05Å; Q86-F536 HydrophobicContact CB-CD2 4.12Å; Q86-F536 HydrophobicContact CB-CG 3.77Å; Q86-F536 HydrophobicContact CG-CB 4.45Å; Q86-F536 HydrophobicContact CG-CD1 3.87Å; Q86-F536 HydrophobicContact CG-CD2 3.75Å; Q86-F536 HydrophobicContact CG-CE1 3.97Å; Q86-F536 HydrophobicContact CG-CE2 3.85Å; Q86-F536 HydrophobicContact CG-CG 3.76Å; Q86-F536 HydrophobicContact CG-CZ 3.97Å; Q86-F536 WeakPolarHBondContact O-CB 3.45Å
537	E	98.2	Very high	98.1	Very high	69 Å²	69	28.6 Å²	28.6	32%	0.322	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	19	175.2	-62.2	-179.6	-157.1	0	0	113	Q86 H87 P88 W115 Q535	Q86-E537 WeakPolarHBondContact O-CB 3.23Å; Q86-E537 PolarHBondContact O-N 2.87Å; H87-E537 IonicContact CE1-OE1 2.67Å; H87-E537 PolarHBondContact CE1-OE1 3.29Å; H87-E537 IonicContact CG-OE1 2.94Å; H87-E537 IonicContact ND1-OE1 3.06Å; H87-E537 PolarHBondContact ND1-OE1 2.88Å; H87-E537 IonicContact ND1-OE2 3.93Å; P88-E537 VanDerWaalsContact CD-OE2 3.3Å; P88-E537 WeakPolarHBondContact CD-OE2 3.15Å; W115-E537 WeakPolarHBondContact CZ2-O 3.4Å; W115-E537 PolarHBondContact NE1-O 3.43Å; Q535-E537 PolarHBondContact O-N 3.47Å
538	A	98.6	Very high	98.1	Very high	6 Å²	6	28.6 Å²	28.6	5%	0.05	15%	0.146	C	C	.	.			trans	-63.5	139	-179.1	0	0	0	0	0	111.9	P504 T506 P534 Q535	P504-A538 HydrophobicContact CB-CB 4.43Å; P504-A538 WeakPolarHBondContact O-CA 3.47Å; T506-A538 HydrophobicContact CG2-CB 4.27Å; P534-A538 WeakPolarHBondContact CB-O 3.06Å; Q535-A538 WeakPolarHBondContact O-CB 3.33Å; Q535-A538 PolarHBondContact O-N 3.15Å; Q535-A538 VanDerWaalsContact O-N 3.08Å
539	R	98.7	Very high	98.1	Very high	60 Å²	60	28.5 Å²	28.5	23%	0.226	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-126.4	158.1	178.8	-65.2	179.5	61.9	-173.8	-4.6	111.5	W115 P504 I505 T506 D543 V544 D547	W115-R539 HydrophobicContact CH2-CB 4.14Å; W115-R539 HydrophobicContact CH2-CG 4.35Å; W115-R539 HydrophobicContact CZ2-CB 3.82Å; W115-R539 HydrophobicContact CZ2-CG 3.63Å; P504-R539 PolarHBondContact O-N 3.44Å; P504-R539 VanDerWaalsContact O-N 3.13Å; I505-R539 WeakPolarHBondContact CA-O 3.28Å; T506-R539 PolarHBondContact N-O 3.29Å; T506-R539 VanDerWaalsContact N-O 3.08Å; R539-D543 PolarHBondContact NH2-O 3.48Å; R539-V544 HydrophobicContact CB-CG2 3.74Å; R539-D547 IonicContact CZ-OD2 2.99Å; R539-D547 IonicContact NH1-OD2 3.72Å; R539-D547 PolarHBondContact NH1-OD2 2.83Å; R539-D547 IonicContact NH2-OD1 3.24Å; R539-D547 IonicContact NH2-OD2 2.72Å; R539-D547 PolarHBondContact NH2-OD2 3.06Å
540	N	98.6	Very high	98.1	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	16%	0.156	C	C	.	.			trans	-68.4	142.4	171.9	-57.3	-47.3	0	0	0	110	T506 R511 F542 D543 V544	T506-N540 PolarHBondContact OG1-OD1 3.42Å; R511-N540 VanDerWaalsContact CB-OD1 3.25Å; R511-N540 WeakPolarHBondContact CB-OD1 3.36Å; R511-N540 WeakPolarHBondContact CD-OD1 3.39Å; N540-F542 PolarHBondContact O-N 3.01Å; N540-D543 WeakPolarHBondContact CB-OD2 3.34Å; N540-D543 PolarHBondContact ND2-OD2 2.99Å; N540-D543 PolarHBondContact O-N 3.36Å; N540-D543 VanDerWaalsContact O-N 3.08Å; N540-V544 WeakPolarHBondContact O-CG2 3.42Å; N540-V544 PolarHBondContact O-N 2.73Å; N540-V544 VanDerWaalsContact O-N 3.12Å
541	D	98.6	Very high	98.1	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-50.8	-41.9	171.4	-60	-84.8	0	0	0	111.5	L157 I505 R511 D543 V544 F545	L157-D541 HydrophobicContact CD1-CB 3.94Å; I505-D541 WeakPolarHBondContact CG2-OD2 3.22Å; R511-D541 IonicContact NH1-OD2 3.21Å; R511-D541 PolarHBondContact NH1-OD2 3.37Å; D541-D543 VanDerWaalsContact C-N 3.33Å; D541-D543 PolarHBondContact O-N 2.92Å; D541-V544 PolarHBondContact O-N 2.85Å; D541-F545 HydrophobicContact CB-CD2 4.16Å; D541-F545 HydrophobicContact CB-CE2 3.85Å; D541-F545 WeakPolarHBondContact O-CB 3.48Å; D541-F545 WeakPolarHBondContact O-CD2 3.38Å; D541-F545 WeakPolarHBondContact O-CG 3.49Å; D541-F545 PolarHBondContact O-N 3.34Å
542	F	98.5	Very high	98	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.022	17%	0.172	C	C	.	.	H	α-helix	trans	-55.6	-46.2	179.1	-178.9	-97.3	0	0	0	112.1	L151 L157 M407 N540 A546 Y560 T561 W569	L151-F542 HydrophobicContact CD1-CD2 4.15Å; L151-F542 HydrophobicContact CD1-CE2 4.27Å; L157-F542 HydrophobicContact CD1-CB 3.99Å; L157-F542 HydrophobicContact CD2-CD2 3.88Å; M407-F542 HydrophobicContact CE-CE2 4.07Å; N540-F542 PolarHBondContact O-N 3.01Å; F542-A546 VanDerWaalsContact O-CB 3.25Å; F542-A546 WeakPolarHBondContact O-CB 3.21Å; F542-A546 PolarHBondContact O-N 3.37Å; F542-Y560 AromaticContact CD2-CE1 3.94Å; F542-Y560 HydrophobicContact CD2-CE1 3.94Å; F542-Y560 HydrophobicContact CE2-CE1 4.01Å; F542-Y560 WeakPolarHBondContact O-CE1 3.34Å; F542-T561 HydrophobicContact CE1-CG2 3.85Å; F542-T561 HydrophobicContact CZ-CG2 3.64Å; F542-W569 AromaticContact CE2-NE1 3.9Å; F542-W569 AromaticContact CZ-CD1 3.78Å; F542-W569 AromaticContact CZ-NE1 3.66Å
543	D	98.5	Very high	97.8	Very high	56 Å²	56	37.7 Å²	37.7	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-73.4	-37.8	-177.1	-59.4	-44	0	0	0	111.8	R539 N540 D541 A546 D547	R539-D543 PolarHBondContact NH2-O 3.48Å; N540-D543 WeakPolarHBondContact CB-OD2 3.34Å; N540-D543 PolarHBondContact ND2-OD2 2.99Å; N540-D543 PolarHBondContact O-N 3.36Å; N540-D543 VanDerWaalsContact O-N 3.08Å; D541-D543 VanDerWaalsContact C-N 3.33Å; D541-D543 PolarHBondContact O-N 2.92Å; D543-A546 PolarHBondContact O-N 3.32Å; D543-D547 PolarHBondContact O-N 3.43Å
544	V	98.6	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-48.5	177.2	172.9	0	0	0	0	110.6	W115 L119 L503 I505 R539 N540 D541 A546 D547 L548	W115-V544 HydrophobicContact CH2-CG2 3.52Å; W115-V544 HydrophobicContact CZ2-CG2 4.44Å; W115-V544 HydrophobicContact CZ3-CB 4.42Å; W115-V544 HydrophobicContact CZ3-CG1 3.96Å; W115-V544 HydrophobicContact CZ3-CG2 3.56Å; L119-V544 HydrophobicContact CD2-CG1 3.92Å; L503-V544 HydrophobicContact CD1-CG1 3.94Å; I505-V544 HydrophobicContact CD1-CG2 4.24Å; R539-V544 HydrophobicContact CB-CG2 3.74Å; N540-V544 WeakPolarHBondContact O-CG2 3.42Å; N540-V544 PolarHBondContact O-N 2.73Å; N540-V544 VanDerWaalsContact O-N 3.12Å; D541-V544 PolarHBondContact O-N 2.85Å; V544-A546 VanDerWaalsContact C-N 3.32Å; V544-A546 PolarHBondContact O-N 3Å; V544-D547 PolarHBondContact O-N 3.39Å; V544-L548 HydrophobicContact CG1-CD1 4.09Å; V544-L548 PolarHBondContact O-N 3.1Å; V544-L548 VanDerWaalsContact O-N 3.07Å
545	F	98.4	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-30.8	178.5	-66.2	-45.4	0	0	0	112.9	L157 L158 Y161 W459 D541 L548 A549 Y560	L157-F545 HydrophobicContact CB-CD2 3.71Å; L157-F545 HydrophobicContact CB-CE2 3.92Å; L158-F545 HydrophobicContact CB-CE1 4.33Å; L158-F545 HydrophobicContact CB-CE2 3.97Å; L158-F545 HydrophobicContact CB-CZ 3.65Å; L158-F545 HydrophobicContact CD1-CE1 3.78Å; L158-F545 HydrophobicContact CD1-CZ 3.89Å; L158-F545 HydrophobicContact CG-CZ 4.35Å; Y161-F545 HydrophobicContact CD1-CD1 4.22Å; Y161-F545 HydrophobicContact CG-CD1 4.15Å; W459-F545 AromaticContact CE2-CE1 3.85Å; W459-F545 HydrophobicContact CH2-CD1 4.43Å; W459-F545 AromaticContact CH2-CE1 3.99Å; W459-F545 HydrophobicContact CH2-CE1 3.99Å; W459-F545 HydrophobicContact CZ2-CD1 4.33Å; W459-F545 AromaticContact CZ2-CE1 3.51Å; W459-F545 HydrophobicContact CZ2-CE1 3.51Å; W459-F545 HydrophobicContact CZ2-CZ 4.39Å; D541-F545 HydrophobicContact CB-CD2 4.16Å; D541-F545 HydrophobicContact CB-CE2 3.85Å; D541-F545 WeakPolarHBondContact O-CB 3.48Å; D541-F545 WeakPolarHBondContact O-CD2 3.38Å; D541-F545 WeakPolarHBondContact O-CG 3.49Å; D541-F545 PolarHBondContact O-N 3.34Å; F545-L548 HydrophobicContact CD1-CD1 4.13Å; F545-L548 PolarHBondContact O-N 2.97Å; F545-A549 WeakPolarHBondContact O-CB 3.49Å; F545-A549 PolarHBondContact O-N 3.31Å; F545-Y560 HydrophobicContact CB-CE1 4.13Å; F545-Y560 HydrophobicContact CB-CE2 4.06Å; F545-Y560 WeakPolarHBondContact CB-OH 3.46Å
546	A	98.4	Very high	97.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-40.6	172.8	0	0	0	0	0	112.1	F542 D543 V544 A549 E550 K557 Y560 T561	F542-A546 VanDerWaalsContact O-CB 3.25Å; F542-A546 WeakPolarHBondContact O-CB 3.21Å; F542-A546 PolarHBondContact O-N 3.37Å; D543-A546 PolarHBondContact O-N 3.32Å; V544-A546 VanDerWaalsContact C-N 3.32Å; V544-A546 PolarHBondContact O-N 3Å; A546-A549 WeakPolarHBondContact O-CB 3.43Å; A546-A549 PolarHBondContact O-N 2.92Å; A546-E550 PolarHBondContact O-N 3.13Å; A546-K557 HydrophobicContact CB-CD 4.47Å; A546-K557 HydrophobicContact CB-CG 4.14Å; A546-K557 WeakPolarHBondContact O-CB 3.45Å; A546-Y560 HydrophobicContact CB-CD1 3.79Å; A546-Y560 HydrophobicContact CB-CE1 4.12Å; A546-T561 HydrophobicContact CB-CG2 3.81Å
547	D	98.4	Very high	97.6	Very high	39 Å²	39	37.5 Å²	37.5	21%	0.209	20%	0.197	C	C	.	.	H	α-helix	trans	-69.9	-38.6	176	-72.2	-3.7	0	0	0	112.2	L119 R539 D543 V544 A549 E550 L551 K557	L119-D547 HydrophobicContact CD1-CB 4.02Å; R539-D547 IonicContact CZ-OD2 2.99Å; R539-D547 IonicContact NH1-OD2 3.72Å; R539-D547 PolarHBondContact NH1-OD2 2.83Å; R539-D547 IonicContact NH2-OD1 3.24Å; R539-D547 IonicContact NH2-OD2 2.72Å; R539-D547 PolarHBondContact NH2-OD2 3.06Å; D543-D547 PolarHBondContact O-N 3.43Å; V544-D547 PolarHBondContact O-N 3.39Å; D547-A549 VanDerWaalsContact C-N 3.3Å; D547-A549 PolarHBondContact O-N 3.32Å; D547-E550 WeakPolarHBondContact O-CB 3.46Å; D547-E550 PolarHBondContact O-N 3.47Å; D547-L551 PolarHBondContact O-N 3.22Å; D547-K557 IonicContact OD1-NZ 3.01Å; D547-K557 PolarHBondContact OD1-NZ 3.03Å
548	L	98.3	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-36.1	172.6	-76.5	154.1	0	0	0	112.4	L119 I122 Y161 W459 V544 F545 E550 L551 L552	L119-L548 HydrophobicContact CB-CD2 4.18Å; L119-L548 HydrophobicContact CD2-CD1 3.85Å; L119-L548 HydrophobicContact CD2-CD2 3.97Å; L119-L548 HydrophobicContact CD2-CG 3.73Å; I122-L548 HydrophobicContact CB-CD2 4.34Å; I122-L548 HydrophobicContact CG2-CD2 4.01Å; Y161-L548 HydrophobicContact CD2-CB 4.09Å; Y161-L548 HydrophobicContact CE2-CB 3.49Å; Y161-L548 VanDerWaalsContact CE2-CB 3.49Å; W459-L548 HydrophobicContact CH2-CD1 3.43Å; W459-L548 VanDerWaalsContact CH2-CD1 3.43Å; W459-L548 HydrophobicContact CZ2-CD1 4.21Å; W459-L548 HydrophobicContact CZ3-CD1 4.31Å; V544-L548 HydrophobicContact CG1-CD1 4.09Å; V544-L548 PolarHBondContact O-N 3.1Å; V544-L548 VanDerWaalsContact O-N 3.07Å; F545-L548 HydrophobicContact CD1-CD1 4.13Å; F545-L548 PolarHBondContact O-N 2.97Å; L548-E550 VanDerWaalsContact C-N 3.25Å; L548-E550 PolarHBondContact O-N 2.98Å; L548-L551 HydrophobicContact CD2-CD1 4.47Å; L548-L551 WeakPolarHBondContact O-CB 3.47Å; L548-L551 PolarHBondContact O-N 2.95Å; L548-L551 VanDerWaalsContact O-N 3.12Å; L548-L552 PolarHBondContact O-N 3.02Å
549	A	97.8	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-36	174.5	0	0	0	0	0	111.9	L164 F545 A546 D547 L551 L552 K553 G556 Y560	L164-A549 HydrophobicContact CD2-CB 3.66Å; F545-A549 WeakPolarHBondContact O-CB 3.49Å; F545-A549 PolarHBondContact O-N 3.31Å; A546-A549 WeakPolarHBondContact O-CB 3.43Å; A546-A549 PolarHBondContact O-N 2.92Å; D547-A549 VanDerWaalsContact C-N 3.3Å; D547-A549 PolarHBondContact O-N 3.32Å; A549-L551 VanDerWaalsContact C-N 3.33Å; A549-L552 WeakPolarHBondContact O-CB 3.46Å; A549-L552 PolarHBondContact O-N 2.89Å; A549-K553 PolarHBondContact O-N 2.68Å; A549-G556 WeakPolarHBondContact CB-O 3.21Å; A549-G556 WeakPolarHBondContact O-CA 3.34Å; A549-Y560 HydrophobicContact CB-CG 4.32Å
550	E	98	Very high	97.3	Very high	79 Å²	79	40 Å²	40	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-36.7	173.4	-164.2	58	-154.4	0	0	112.5	A546 D547 L548 K553 G555 G556 K557	A546-E550 PolarHBondContact O-N 3.13Å; D547-E550 WeakPolarHBondContact O-CB 3.46Å; D547-E550 PolarHBondContact O-N 3.47Å; L548-E550 VanDerWaalsContact C-N 3.25Å; L548-E550 PolarHBondContact O-N 2.98Å; E550-K553 CarbonylContact O-C 3.24Å; E550-K553 VanDerWaalsContact O-C 3.29Å; E550-G555 PolarHBondContact OE1-N 3.44Å; E550-G555 PolarHBondContact OE2-N 3.3Å; E550-G556 PolarHBondContact OE2-N 2.91Å; E550-K557 HydrophobicContact CB-CB 4.12Å; E550-K557 VanDerWaalsContact OE2-CB 3.24Å; E550-K557 WeakPolarHBondContact OE2-CB 3.44Å; E550-K557 PolarHBondContact OE2-N 2.96Å
551	L	97.5	Very high	97.2	Very high	76 Å²	76	39.9 Å²	39.9	40%	0.398	21%	0.211	S	C	.	.	H	α-helix	trans	-69.2	-32.7	175	-63.3	176.5	0	0	0	112.1	L119 H123 D547 L548 A549	L119-L551 HydrophobicContact CB-CD1 4.02Å; H123-L551 HydrophobicContact CB-CB 4.22Å; H123-L551 HydrophobicContact CB-CD1 4.04Å; H123-L551 PolarHBondContact CE1-O 3.38Å; D547-L551 PolarHBondContact O-N 3.22Å; L548-L551 HydrophobicContact CD2-CD1 4.47Å; L548-L551 WeakPolarHBondContact O-CB 3.47Å; L548-L551 PolarHBondContact O-N 2.95Å; L548-L551 VanDerWaalsContact O-N 3.12Å; A549-L551 VanDerWaalsContact C-N 3.33Å
552	L	95.5	Very high	97.2	Very high	50 Å²	50	42.4 Å²	42.4	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-43.9	175.7	-69.4	176.8	0	0	0	112	Y161 L164 A165 L548 A549	Y161-L552 HydrophobicContact CD2-CD1 3.99Å; Y161-L552 HydrophobicContact CE2-CD1 3.42Å; Y161-L552 VanDerWaalsContact CE2-CD1 3.42Å; Y161-L552 HydrophobicContact CE2-CD2 4.44Å; Y161-L552 HydrophobicContact CE2-CG 3.89Å; L164-L552 HydrophobicContact CG-CD1 4.32Å; A165-L552 HydrophobicContact CB-CD1 3.73Å; A165-L552 HydrophobicContact CB-CD2 4.13Å; L548-L552 PolarHBondContact O-N 3.02Å; A549-L552 WeakPolarHBondContact O-CB 3.46Å; A549-L552 PolarHBondContact O-N 2.89Å
553	K	93.2	Very high	97	Very high	83 Å²	83	44.9 Å²	44.9	36%	0.361	25%	0.25	S	C	.	.	S	Bend	trans	-161.1	148.2	173.7	64.9	-171.1	-177	-171.6	0	110.9	A549 E550 G555 G556	A549-K553 PolarHBondContact O-N 2.68Å; E550-K553 CarbonylContact O-C 3.24Å; E550-K553 VanDerWaalsContact O-C 3.29Å; K553-G555 PolarHBondContact O-N 3.38Å; K553-G556 WeakPolarHBondContact O-CA 3.18Å; K553-G556 PolarHBondContact O-N 3.33Å
554	P	95.1	Very high	97	Very high	126 Å²	126	44.6 Å²	44.6	82%	0.818	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	129.4	172.7	-27.2	35	0	0	0	112.2	G556	P554-G556 VanDerWaalsContact C-N 3.28Å; P554-G556 PolarHBondContact O-N 3.31Å
555	G	96	Very high	96.9	Very high	30 Å²	30	49.6 Å²	49.6	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	2.9	-175.7	0	0	0	0	0	114.8	E550 K553 K557 E558 I559	E550-G555 PolarHBondContact OE1-N 3.44Å; E550-G555 PolarHBondContact OE2-N 3.3Å; K553-G555 PolarHBondContact O-N 3.38Å; G555-K557 PolarHBondContact O-N 2.91Å; G555-E558 PolarHBondContact O-N 3.3Å; G555-I559 PolarHBondContact O-N 3.45Å
556	G	96.7	Very high	96.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-30.3	177.7	0	0	0	0	0	113.1	A549 E550 K553 P554 I559 Y560	A549-G556 WeakPolarHBondContact CB-O 3.21Å; A549-G556 WeakPolarHBondContact O-CA 3.34Å; E550-G556 PolarHBondContact OE2-N 2.91Å; K553-G556 WeakPolarHBondContact O-CA 3.18Å; K553-G556 PolarHBondContact O-N 3.33Å; P554-G556 VanDerWaalsContact C-N 3.28Å; P554-G556 PolarHBondContact O-N 3.31Å; G556-I559 PolarHBondContact O-N 3.09Å; G556-Y560 WeakPolarHBondContact O-CB 3.49Å; G556-Y560 PolarHBondContact O-N 2.77Å
557	K	97.6	Very high	96.9	Very high	85 Å²	85	54.4 Å²	54.4	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-45.4	172.8	178.2	159	-173.1	163.6	0	112.7	A546 D547 E550 G555 I559 Y560 T561	A546-K557 HydrophobicContact CB-CD 4.47Å; A546-K557 HydrophobicContact CB-CG 4.14Å; A546-K557 WeakPolarHBondContact O-CB 3.45Å; D547-K557 IonicContact OD1-NZ 3.01Å; D547-K557 PolarHBondContact OD1-NZ 3.03Å; E550-K557 HydrophobicContact CB-CB 4.12Å; E550-K557 VanDerWaalsContact OE2-CB 3.24Å; E550-K557 WeakPolarHBondContact OE2-CB 3.44Å; E550-K557 PolarHBondContact OE2-N 2.96Å; G555-K557 PolarHBondContact O-N 2.91Å; K557-I559 VanDerWaalsContact C-N 3.34Å; K557-I559 PolarHBondContact O-N 3.08Å; K557-Y560 PolarHBondContact O-N 2.85Å; K557-T561 HydrophobicContact CG-CG2 4.4Å; K557-T561 WeakPolarHBondContact O-CB 3.45Å; K557-T561 VanDerWaalsContact O-CG2 3.24Å; K557-T561 WeakPolarHBondContact O-CG2 3.31Å; K557-T561 PolarHBondContact O-N 3.22Å; K557-T561 PolarHBondContact O-OG1 2.71Å
558	E	96.7	Very high	96.9	Very high	139 Å²	139	54.4 Å²	54.4	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-66.4	-37.7	179.8	-172.4	163.5	174.4	0	0	111.7	G555 T561 E562 G563	G555-E558 PolarHBondContact O-N 3.3Å; E558-T561 PolarHBondContact O-OG1 3.11Å; E558-E562 VanDerWaalsContact O-CA 3.3Å; E558-E562 WeakPolarHBondContact O-CA 3.33Å; E558-E562 PolarHBondContact O-N 2.98Å; E558-G563 PolarHBondContact O-N 3.5Å
559	I	95.9	Very high	96.9	Very high	48 Å²	48	54.8 Å²	54.8	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-49.5	174.5	-63.7	169	0	0	0	110.8	L164 I411 Q414 G555 G556 K557 T561 E562	L164-I559 HydrophobicContact CD1-CG2 4Å; I411-I559 HydrophobicContact CD1-CG2 4.41Å; I411-I559 HydrophobicContact CG2-CG2 4.12Å; I411-I559 WeakPolarHBondContact CG2-O 3.38Å; Q414-I559 HydrophobicContact CG-CG2 4.13Å; G555-I559 PolarHBondContact O-N 3.45Å; G556-I559 PolarHBondContact O-N 3.09Å; K557-I559 VanDerWaalsContact C-N 3.34Å; K557-I559 PolarHBondContact O-N 3.08Å; I559-T561 PolarHBondContact O-N 3.07Å; I559-E562 PolarHBondContact O-N 3.45Å
560	Y	96.9	Very high	96.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-45.7	-178.9	175.8	-93.7	0	0	0	112	L157 R160 F542 F545 A546 A549 G556 K557 E562	L157-Y560 WeakPolarHBondContact CB-OH 3.37Å; L157-Y560 WeakPolarHBondContact CD2-OH 3.06Å; L157-Y560 PolarHBondContact O-OH 3.19Å; R160-Y560 HydrophobicContact CB-CE2 3.81Å; R160-Y560 HydrophobicContact CG-CD2 3.93Å; R160-Y560 HydrophobicContact CG-CE2 3.61Å; R160-Y560 PolarHBondContact NE-O 3.11Å; R160-Y560 PolarHBondContact NH2-O 3.36Å; F542-Y560 AromaticContact CD2-CE1 3.94Å; F542-Y560 HydrophobicContact CD2-CE1 3.94Å; F542-Y560 HydrophobicContact CE2-CE1 4.01Å; F542-Y560 WeakPolarHBondContact O-CE1 3.34Å; F545-Y560 HydrophobicContact CB-CE1 4.13Å; F545-Y560 HydrophobicContact CB-CE2 4.06Å; F545-Y560 WeakPolarHBondContact CB-OH 3.46Å; A546-Y560 HydrophobicContact CB-CD1 3.79Å; A546-Y560 HydrophobicContact CB-CE1 4.12Å; A549-Y560 HydrophobicContact CB-CG 4.32Å; G556-Y560 WeakPolarHBondContact O-CB 3.49Å; G556-Y560 PolarHBondContact O-N 2.77Å; K557-Y560 PolarHBondContact O-N 2.85Å; Y560-E562 VanDerWaalsContact C-N 3.33Å
561	T	97.2	Very high	97	Very high	16 Å²	16	55 Å²	55	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-80.3	-13.5	-177.8	60.5	0	0	0	0	113.5	F542 A546 K557 E558 I559 G563 K564 W569	F542-T561 HydrophobicContact CE1-CG2 3.85Å; F542-T561 HydrophobicContact CZ-CG2 3.64Å; A546-T561 HydrophobicContact CB-CG2 3.81Å; K557-T561 HydrophobicContact CG-CG2 4.4Å; K557-T561 WeakPolarHBondContact O-CB 3.45Å; K557-T561 VanDerWaalsContact O-CG2 3.24Å; K557-T561 WeakPolarHBondContact O-CG2 3.31Å; K557-T561 PolarHBondContact O-N 3.22Å; K557-T561 PolarHBondContact O-OG1 2.71Å; E558-T561 PolarHBondContact O-OG1 3.11Å; I559-T561 PolarHBondContact O-N 3.07Å; T561-G563 PolarHBondContact O-N 2.99Å; T561-G563 PolarHBondContact OG1-N 3.18Å; T561-K564 PolarHBondContact O-N 3.16Å; T561-K564 VanDerWaalsContact O-N 3.15Å; T561-W569 WeakPolarHBondContact O-CZ2 3.25Å; T561-W569 PolarHBondContact O-NE1 3.13Å
562	E	96.9	Very high	97	Very high	58 Å²	58	56.4 Å²	56.4	27%	0.271	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	38	-169	-57.9	176.1	-147.9	0	0	112.7	R160 I411 E558 I559 Y560 K564 W569	R160-E562 IonicContact CZ-OE1 3.3Å; R160-E562 IonicContact NH1-OE1 3.67Å; R160-E562 IonicContact NH2-OE1 3.44Å; R160-E562 PolarHBondContact NH2-OE1 3.1Å; I411-E562 HydrophobicContact CG2-CG 4.37Å; E558-E562 VanDerWaalsContact O-CA 3.3Å; E558-E562 WeakPolarHBondContact O-CA 3.33Å; E558-E562 PolarHBondContact O-N 2.98Å; I559-E562 PolarHBondContact O-N 3.45Å; Y560-E562 VanDerWaalsContact C-N 3.33Å; E562-K564 PolarHBondContact O-N 2.81Å; E562-K564 PolarHBondContact O-NZ 3.17Å; E562-K564 VanDerWaalsContact O-NZ 3.09Å; E562-K564 IonicContact OE2-NZ 2.65Å; E562-K564 PolarHBondContact OE2-NZ 2.75Å; E562-W569 HydrophobicContact CB-CH2 4.39Å; E562-W569 HydrophobicContact CB-CZ2 3.89Å; E562-W569 HydrophobicContact CG-CH2 4.4Å; E562-W569 HydrophobicContact CG-CZ2 4.1Å
563	G	96.1	Very high	97.1	Very high	56 Å²	56	54.2 Å²	54.2	58%	0.577	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	15	-179.5	0	0	0	0	0	115.2	E558 T561	E558-G563 PolarHBondContact O-N 3.5Å; T561-G563 PolarHBondContact O-N 2.99Å; T561-G563 PolarHBondContact OG1-N 3.18Å
564	K	97.9	Very high	97.4	Very high	51 Å²	51	50.2 Å²	50.2	22%	0.222	28%	0.276	C	S	.	.			trans	-111.8	131.2	-178.6	-66.3	175.1	-149.9	70.8	0	110.6	T561 E562 A568 W569	T561-K564 PolarHBondContact O-N 3.16Å; T561-K564 VanDerWaalsContact O-N 3.15Å; E562-K564 PolarHBondContact O-N 2.81Å; E562-K564 PolarHBondContact O-NZ 3.17Å; E562-K564 VanDerWaalsContact O-NZ 3.09Å; E562-K564 IonicContact OE2-NZ 2.65Å; E562-K564 PolarHBondContact OE2-NZ 2.75Å; K564-A568 HydrophobicContact CB-CB 3.92Å; K564-A568 HydrophobicContact CG-CB 4.18Å; K564-W569 HydrophobicContact CB-CD2 4.12Å; K564-W569 HydrophobicContact CB-CG 3.94Å; K564-W569 HydrophobicContact CD-CD2 3.89Å; K564-W569 HydrophobicContact CD-CE3 4.05Å; K564-W569 HydrophobicContact CD-CG 4.38Å; K564-W569 HydrophobicContact CD-CH2 4.34Å; K564-W569 HydrophobicContact CD-CZ2 4.18Å; K564-W569 HydrophobicContact CD-CZ3 4.27Å; K564-W569 PolarHBondContact O-NE1 2.53Å
565	D	97.3	Very high	97.5	Very high	105 Å²	105	46.4 Å²	46.4	56%	0.561	25%	0.249	S	C	*	.			trans	-79.1	-177.7	166.7	66.2	19.5	0	0	0	111.6	M567 A568 W569	D565-M567 PolarHBondContact O-N 3.32Å; D565-M567 PolarHBondContact OD1-N 2.71Å; D565-A568 PolarHBondContact O-N 3.26Å; D565-A568 WeakPolarHBondContact OD1-CB 3.29Å; D565-A568 PolarHBondContact OD1-N 2.92Å; D565-W569 PolarHBondContact O-N 2.87Å
566	E	97.9	Very high	97.6	Very high	38 Å²	38	46.9 Å²	46.9	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-51.8	-56.3	-179.4	-177	-179.9	73.1	0	0	111.9	L151 H152 N512 A568 W569 L570	L151-E566 HydrophobicContact CD2-CB 4.39Å; L151-E566 HydrophobicContact CD2-CG 3.91Å; H152-E566 IonicContact CD2-OE2 3.77Å; H152-E566 IonicContact CE1-OE2 3.24Å; H152-E566 IonicContact NE2-OE2 3.64Å; H152-E566 PolarHBondContact NE2-OE2 3.13Å; N512-E566 HydrophobicContact CB-CG 4.36Å; N512-E566 WeakPolarHBondContact CB-OE1 3.42Å; N512-E566 PolarHBondContact N-OE2 3.13Å; N512-E566 VanDerWaalsContact N-OE2 3.14Å; N512-E566 PolarHBondContact ND2-OE1 3.39Å; E566-A568 PolarHBondContact O-N 3.3Å; E566-W569 PolarHBondContact O-N 3.1Å; E566-L570 HydrophobicContact CG-CD1 4.39Å; E566-L570 WeakPolarHBondContact O-CG 3.44Å; E566-L570 PolarHBondContact O-N 2.75Å
567	M	97.9	Very high	97.6	Very high	63 Å²	63	47 Å²	47	31%	0.31	25%	0.251	S	S	.	.	H	α-helix	trans	-70.5	-32.7	-174.6	-67.2	-55.7	-61	0	0	112.6	N512 D565 L570 K571 F591 W595	N512-M567 HydrophobicContact CB-SD 4.16Å; D565-M567 PolarHBondContact O-N 3.32Å; D565-M567 PolarHBondContact OD1-N 2.71Å; M567-L570 PolarHBondContact O-N 3.16Å; M567-L570 HydrophobicContact SD-CD1 4.11Å; M567-K571 WeakPolarHBondContact O-CB 3.48Å; M567-K571 PolarHBondContact O-N 2.86Å; M567-F591 HydrophobicContact CE-CE1 3.8Å; M567-F591 HydrophobicContact CE-CZ 3.69Å; M567-W595 HydrophobicContact CE-CD2 4.08Å; M567-W595 HydrophobicContact CE-CG 4.49Å; M567-W595 HydrophobicContact CE-CZ2 3.98Å; M567-W595 HydrophobicContact SD-CZ2 4.2Å
568	A	98.2	Very high	97.6	Very high	39 Å²	39	43.3 Å²	43.3	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-40.5	173.5	0	0	0	0	0	111.9	K564 D565 E566 F572	K564-A568 HydrophobicContact CB-CB 3.92Å; K564-A568 HydrophobicContact CG-CB 4.18Å; D565-A568 PolarHBondContact O-N 3.26Å; D565-A568 WeakPolarHBondContact OD1-CB 3.29Å; D565-A568 PolarHBondContact OD1-N 2.92Å; E566-A568 PolarHBondContact O-N 3.3Å; A568-F572 WeakPolarHBondContact O-CB 3.44Å; A568-F572 PolarHBondContact O-N 2.74Å
569	W	98.4	Very high	97.7	Very high	8 Å²	8	44 Å²	44	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-47.6	173.2	-89	116.2	0	0	0	112.4	L151 M407 F542 T561 E562 K564 D565 E566 K571 F572 F573	L151-W569 HydrophobicContact CD1-CB 3.98Å; L151-W569 HydrophobicContact CD1-CG 4.01Å; L151-W569 HydrophobicContact CD2-CB 4.04Å; M407-W569 HydrophobicContact CE-CD2 3.83Å; M407-W569 HydrophobicContact CE-CE3 4.19Å; M407-W569 HydrophobicContact CE-CG 4.27Å; M407-W569 HydrophobicContact CE-CH2 4.36Å; M407-W569 HydrophobicContact CE-CZ2 4.01Å; M407-W569 HydrophobicContact CE-CZ3 4.44Å; F542-W569 AromaticContact CE2-NE1 3.9Å; F542-W569 AromaticContact CZ-CD1 3.78Å; F542-W569 AromaticContact CZ-NE1 3.66Å; T561-W569 WeakPolarHBondContact O-CZ2 3.25Å; T561-W569 PolarHBondContact O-NE1 3.13Å; E562-W569 HydrophobicContact CB-CH2 4.39Å; E562-W569 HydrophobicContact CB-CZ2 3.89Å; E562-W569 HydrophobicContact CG-CH2 4.4Å; E562-W569 HydrophobicContact CG-CZ2 4.1Å; K564-W569 HydrophobicContact CB-CD2 4.12Å; K564-W569 HydrophobicContact CB-CG 3.94Å; K564-W569 HydrophobicContact CD-CD2 3.89Å; K564-W569 HydrophobicContact CD-CE3 4.05Å; K564-W569 HydrophobicContact CD-CG 4.38Å; K564-W569 HydrophobicContact CD-CH2 4.34Å; K564-W569 HydrophobicContact CD-CZ2 4.18Å; K564-W569 HydrophobicContact CD-CZ3 4.27Å; K564-W569 PolarHBondContact O-NE1 2.53Å; D565-W569 PolarHBondContact O-N 2.87Å; E566-W569 PolarHBondContact O-N 3.1Å; W569-K571 VanDerWaalsContact C-N 3.33Å; W569-K571 PolarHBondContact O-N 3.36Å; W569-F572 AromaticContact CE3-CD1 3.96Å; W569-F572 HydrophobicContact CE3-CD1 3.96Å; W569-F572 AromaticContact CZ3-CD1 3.84Å; W569-F572 HydrophobicContact CZ3-CD1 3.84Å; W569-F572 HydrophobicContact CZ3-CE1 4.06Å; W569-F572 WeakPolarHBondContact O-CB 3.41Å; W569-F572 PolarHBondContact O-N 3.01Å; W569-F572 VanDerWaalsContact O-N 3.1Å; W569-F573 HydrophobicContact CB-CE2 4.24Å; W569-F573 HydrophobicContact CD2-CZ 4.28Å; W569-F573 AromaticContact CE3-CE1 3.69Å; W569-F573 HydrophobicContact CE3-CE1 3.69Å; W569-F573 HydrophobicContact CE3-CE2 4.21Å; W569-F573 AromaticContact CE3-CZ 3.51Å; W569-F573 HydrophobicContact CE3-CZ 3.51Å; W569-F573 AromaticContact CZ3-CE1 3.92Å; W569-F573 HydrophobicContact CZ3-CE1 3.92Å; W569-F573 HydrophobicContact CZ3-CZ 4.05Å; W569-F573 VanDerWaalsContact O-CD2 3.26Å; W569-F573 WeakPolarHBondContact O-CD2 3.06Å; W569-F573 WeakPolarHBondContact O-CG 3.42Å; W569-F573 PolarHBondContact O-N 3.24Å
570	L	98.6	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-42.3	179.3	-61	-176.7	0	0	0	111.8	L151 N512 L514 E566 M567 F572 F573 Y574 F591 W595	L151-L570 HydrophobicContact CB-CD2 3.81Å; L151-L570 HydrophobicContact CD2-CD2 4.04Å; L151-L570 HydrophobicContact CD2-CG 4.38Å; N512-L570 HydrophobicContact CB-CD1 3.84Å; L514-L570 HydrophobicContact CD1-CB 4.09Å; L514-L570 HydrophobicContact CD1-CD2 4.49Å; L514-L570 VanDerWaalsContact CD1-O 3.28Å; L514-L570 WeakPolarHBondContact CD1-O 3.5Å; L514-L570 HydrophobicContact CG-CB 4.31Å; L514-L570 HydrophobicContact CG-CD2 4.2Å; E566-L570 HydrophobicContact CG-CD1 4.39Å; E566-L570 WeakPolarHBondContact O-CG 3.44Å; E566-L570 PolarHBondContact O-N 2.75Å; M567-L570 PolarHBondContact O-N 3.16Å; M567-L570 HydrophobicContact SD-CD1 4.11Å; L570-F572 VanDerWaalsContact C-N 3.32Å; L570-F572 PolarHBondContact O-N 2.63Å; L570-F573 HydrophobicContact CD2-CD2 4.48Å; L570-F573 PolarHBondContact O-N 2.77Å; L570-Y574 WeakPolarHBondContact O-CB 3.48Å; L570-Y574 PolarHBondContact O-N 3.03Å; L570-F591 HydrophobicContact CB-CE2 4.35Å; L570-F591 HydrophobicContact CB-CZ 4.16Å; L570-W595 HydrophobicContact CD1-CH2 3.89Å; L570-W595 HydrophobicContact CD1-CZ3 4.19Å
571	K	98.5	Very high	97.6	Very high	84 Å²	84	43 Å²	43	37%	0.365	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-42.5	173.5	-175.8	178.8	-178.2	-59.8	0	111.5	M567 W569 Y574 D575 F591	M567-K571 WeakPolarHBondContact O-CB 3.48Å; M567-K571 PolarHBondContact O-N 2.86Å; W569-K571 VanDerWaalsContact C-N 3.33Å; W569-K571 PolarHBondContact O-N 3.36Å; K571-Y574 PolarHBondContact O-N 2.81Å; K571-D575 IonicContact NZ-OD1 3.67Å; K571-D575 IonicContact NZ-OD2 3.3Å; K571-D575 PolarHBondContact NZ-OD2 3.36Å; K571-D575 WeakPolarHBondContact O-CB 3.46Å; K571-D575 PolarHBondContact O-N 3.4Å; K571-F591 HydrophobicContact CB-CD1 3.8Å; K571-F591 HydrophobicContact CB-CD2 4.48Å; K571-F591 HydrophobicContact CB-CE1 3.91Å; K571-F591 HydrophobicContact CB-CG 4.09Å; K571-F591 HydrophobicContact CB-CZ 4.3Å; K571-F591 HydrophobicContact CD-CD1 4.21Å; K571-F591 HydrophobicContact CG-CB 4.09Å; K571-F591 HydrophobicContact CG-CD1 3.81Å; K571-F591 HydrophobicContact CG-CE1 4.43Å; K571-F591 HydrophobicContact CG-CG 3.93Å
572	F	98.1	Very high	97.5	Very high	105 Å²	105	48.5 Å²	48.5	46%	0.461	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-47.2	177.7	173.2	-96.1	0	0	0	112.1	A568 W569 L570 D575 A576	A568-F572 WeakPolarHBondContact O-CB 3.44Å; A568-F572 PolarHBondContact O-N 2.74Å; W569-F572 AromaticContact CE3-CD1 3.96Å; W569-F572 HydrophobicContact CE3-CD1 3.96Å; W569-F572 AromaticContact CZ3-CD1 3.84Å; W569-F572 HydrophobicContact CZ3-CD1 3.84Å; W569-F572 HydrophobicContact CZ3-CE1 4.06Å; W569-F572 WeakPolarHBondContact O-CB 3.41Å; W569-F572 PolarHBondContact O-N 3.01Å; W569-F572 VanDerWaalsContact O-N 3.1Å; L570-F572 VanDerWaalsContact C-N 3.32Å; L570-F572 PolarHBondContact O-N 2.63Å; F572-D575 PolarHBondContact O-N 2.96Å; F572-A576 PolarHBondContact O-N 2.83Å; F572-A576 VanDerWaalsContact O-N 3.12Å
573	F	98.3	Very high	97.5	Very high	4 Å²	4	50 Å²	50	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-43.1	176.7	-58.8	-39.8	0	0	0	112	V150 L151 L404 P405 M407 W569 L570 A576 A577	V150-F573 HydrophobicContact CB-CD2 4.43Å; V150-F573 HydrophobicContact CG2-CB 4.43Å; V150-F573 HydrophobicContact CG2-CD2 3.58Å; V150-F573 HydrophobicContact CG2-CE2 4.14Å; V150-F573 HydrophobicContact CG2-CG 4.26Å; L151-F573 HydrophobicContact CB-CE2 4.03Å; L151-F573 HydrophobicContact CD1-CE2 4.32Å; L404-F573 HydrophobicContact CD2-CB 4.41Å; P405-F573 WeakPolarHBondContact CD-O 3.38Å; P405-F573 HydrophobicContact CG-CB 4.14Å; P405-F573 HydrophobicContact CG-CD1 3.88Å; P405-F573 HydrophobicContact CG-CG 4.43Å; M407-F573 HydrophobicContact CB-CZ 4.22Å; M407-F573 HydrophobicContact CE-CZ 4.27Å; W569-F573 HydrophobicContact CB-CE2 4.24Å; W569-F573 HydrophobicContact CD2-CZ 4.28Å; W569-F573 AromaticContact CE3-CE1 3.69Å; W569-F573 HydrophobicContact CE3-CE1 3.69Å; W569-F573 HydrophobicContact CE3-CE2 4.21Å; W569-F573 AromaticContact CE3-CZ 3.51Å; W569-F573 HydrophobicContact CE3-CZ 3.51Å; W569-F573 AromaticContact CZ3-CE1 3.92Å; W569-F573 HydrophobicContact CZ3-CE1 3.92Å; W569-F573 HydrophobicContact CZ3-CZ 4.05Å; W569-F573 VanDerWaalsContact O-CD2 3.26Å; W569-F573 WeakPolarHBondContact O-CD2 3.06Å; W569-F573 WeakPolarHBondContact O-CG 3.42Å; W569-F573 PolarHBondContact O-N 3.24Å; L570-F573 HydrophobicContact CD2-CD2 4.48Å; L570-F573 PolarHBondContact O-N 2.77Å; F573-A576 PolarHBondContact O-N 3.49Å; F573-A577 PolarHBondContact O-N 3.45Å
574	Y	98.5	Very high	97.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-47.2	176.6	-174.7	-88.6	0	0	0	112.4	L570 K571 A576 A577 Q578 M588 P589 F591 F594 I601	L570-Y574 WeakPolarHBondContact O-CB 3.48Å; L570-Y574 PolarHBondContact O-N 3.03Å; K571-Y574 PolarHBondContact O-N 2.81Å; Y574-A576 VanDerWaalsContact C-N 3.26Å; Y574-A576 PolarHBondContact O-N 3.08Å; Y574-A577 WeakPolarHBondContact O-CB 3.45Å; Y574-A577 PolarHBondContact O-N 2.99Å; Y574-A577 VanDerWaalsContact O-N 3.17Å; Y574-Q578 HydrophobicContact CE1-CB 4.33Å; Y574-Q578 HydrophobicContact CE1-CG 4.38Å; Y574-Q578 WeakPolarHBondContact O-CB 3.32Å; Y574-Q578 PolarHBondContact O-N 3.05Å; Y574-M588 HydrophobicContact CD2-CE 4.34Å; Y574-M588 HydrophobicContact CE1-CE 4.3Å; Y574-M588 HydrophobicContact CE2-CE 3.69Å; Y574-P589 VanDerWaalsContact CE1-O 3.31Å; Y574-P589 WeakPolarHBondContact CE1-O 3.36Å; Y574-P589 PolarHBondContact OH-O 3Å; Y574-F591 HydrophobicContact CD1-CB 3.74Å; Y574-F591 AromaticContact CD1-CD2 3.99Å; Y574-F591 HydrophobicContact CD1-CD2 3.99Å; Y574-F591 HydrophobicContact CD1-CG 4.37Å; Y574-F591 HydrophobicContact CD2-CD2 4.16Å; Y574-F591 HydrophobicContact CE1-CB 4.19Å; Y574-F591 HydrophobicContact CG-CB 4.3Å; Y574-F591 AromaticContact CG-CD2 3.65Å; Y574-F591 HydrophobicContact CG-CD2 3.65Å; Y574-F591 HydrophobicContact CG-CG 4.46Å; Y574-F594 AromaticContact CD2-CD1 3.7Å; Y574-F594 HydrophobicContact CD2-CD1 3.7Å; Y574-F594 AromaticContact CD2-CE1 3.87Å; Y574-F594 HydrophobicContact CD2-CE1 3.87Å; Y574-F594 HydrophobicContact CD2-CG 4.37Å; Y574-F594 HydrophobicContact CE2-CB 4.01Å; Y574-F594 AromaticContact CE2-CD1 3.35Å; Y574-F594 HydrophobicContact CE2-CD1 3.35Å; Y574-F594 HydrophobicContact CE2-CD2 4.18Å; Y574-F594 AromaticContact CE2-CE1 3.79Å; Y574-F594 HydrophobicContact CE2-CE1 3.79Å; Y574-F594 AromaticContact CE2-CG 3.57Å; Y574-F594 HydrophobicContact CE2-CG 3.57Å; Y574-F594 HydrophobicContact CE2-CZ 4.35Å; Y574-F594 AromaticContact CZ-CG 3.97Å; Y574-I601 HydrophobicContact CE2-CD1 4.05Å; Y574-I601 WeakPolarHBondContact OH-CD1 3.42Å
575	D	98.1	Very high	97.1	Very high	45 Å²	45	54.1 Å²	54.1	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-35.1	-179.4	-73	-15.2	0	0	0	111.6	K571 F572 Q578 K579	K571-D575 IonicContact NZ-OD1 3.67Å; K571-D575 IonicContact NZ-OD2 3.3Å; K571-D575 PolarHBondContact NZ-OD2 3.36Å; K571-D575 WeakPolarHBondContact O-CB 3.46Å; K571-D575 PolarHBondContact O-N 3.4Å; F572-D575 PolarHBondContact O-N 2.96Å; D575-Q578 PolarHBondContact O-N 2.87Å; D575-K579 WeakPolarHBondContact O-CB 3.48Å; D575-K579 PolarHBondContact O-N 3.44Å
576	A	97.5	Very high	96.9	Very high	41 Å²	41	50 Å²	50	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-46.9	173	0	0	0	0	0	112	P405 F572 F573 Y574 Q578 K579 G580	P405-A576 HydrophobicContact CG-CB 3.77Å; F572-A576 PolarHBondContact O-N 2.83Å; F572-A576 VanDerWaalsContact O-N 3.12Å; F573-A576 PolarHBondContact O-N 3.49Å; Y574-A576 VanDerWaalsContact C-N 3.26Å; Y574-A576 PolarHBondContact O-N 3.08Å; A576-Q578 VanDerWaalsContact C-N 3.34Å; A576-Q578 PolarHBondContact O-N 2.88Å; A576-K579 WeakPolarHBondContact O-CB 3.44Å; A576-K579 PolarHBondContact O-N 3.17Å; A576-G580 PolarHBondContact O-N 3.24Å
577	A	98	Very high	96.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-43.9	174.2	0	0	0	0	0	111.7	G402 V403 L404 I525 F573 Y574 K579 G580 A581 M588	G402-A577 WeakPolarHBondContact CA-O 3.22Å; V403-A577 WeakPolarHBondContact O-CA 3.42Å; V403-A577 WeakPolarHBondContact O-CB 3.26Å; L404-A577 HydrophobicContact CD2-CB 3.94Å; L404-A577 HydrophobicContact CG-CB 4.38Å; I525-A577 HydrophobicContact CD1-CB 4.18Å; F573-A577 PolarHBondContact O-N 3.45Å; Y574-A577 WeakPolarHBondContact O-CB 3.45Å; Y574-A577 PolarHBondContact O-N 2.99Å; Y574-A577 VanDerWaalsContact O-N 3.17Å; A577-K579 VanDerWaalsContact C-N 3.31Å; A577-K579 PolarHBondContact O-N 3.22Å; A577-G580 PolarHBondContact O-N 3.15Å; A577-G580 VanDerWaalsContact O-N 3.14Å; A577-A581 PolarHBondContact O-N 2.9Å; A577-M588 HydrophobicContact CB-CE 4.43Å
578	Q	97.6	Very high	96.6	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-40.5	177.4	-160	-157.9	40.4	0	0	111.6	Y574 D575 A576 A581 R582 M588 P589	Y574-Q578 HydrophobicContact CE1-CB 4.33Å; Y574-Q578 HydrophobicContact CE1-CG 4.38Å; Y574-Q578 WeakPolarHBondContact O-CB 3.32Å; Y574-Q578 PolarHBondContact O-N 3.05Å; D575-Q578 PolarHBondContact O-N 2.87Å; A576-Q578 VanDerWaalsContact C-N 3.34Å; A576-Q578 PolarHBondContact O-N 2.88Å; Q578-A581 PolarHBondContact O-N 2.87Å; Q578-R582 WeakPolarHBondContact O-CG 3.22Å; Q578-R582 PolarHBondContact O-N 2.94Å; Q578-M588 HydrophobicContact CB-CE 4.32Å; Q578-M588 HydrophobicContact CG-CB 3.77Å; Q578-M588 PolarHBondContact NE2-O 2.73Å; Q578-P589 PolarHBondContact NE2-O 3.06Å
579	K	96.9	Very high	96.5	Very high	153 Å²	153	52 Å²	52	67%	0.665	29%	0.29	S	S	*	.	H	α-helix	trans	-63	-44.6	173.7	-173.7	-175.5	-179.7	-175.2	0	111.4	D575 A576 A577 R582 A583	D575-K579 WeakPolarHBondContact O-CB 3.48Å; D575-K579 PolarHBondContact O-N 3.44Å; A576-K579 WeakPolarHBondContact O-CB 3.44Å; A576-K579 PolarHBondContact O-N 3.17Å; A577-K579 VanDerWaalsContact C-N 3.31Å; A577-K579 PolarHBondContact O-N 3.22Å; K579-R582 PolarHBondContact O-N 3.11Å; K579-A583 PolarHBondContact O-N 3.06Å; K579-A583 VanDerWaalsContact O-N 3.16Å
580	G	95.9	Very high	96.4	Very high	29 Å²	29	57.3 Å²	57.3	30%	0.299	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-38.5	175.7	0	0	0	0	0	113.4	A576 A577 A583 Q584	A576-G580 PolarHBondContact O-N 3.24Å; A577-G580 PolarHBondContact O-N 3.15Å; A577-G580 VanDerWaalsContact O-N 3.14Å; G580-A583 PolarHBondContact O-N 2.69Å; G580-Q584 PolarHBondContact O-N 3.36Å; G580-Q584 PolarHBondContact O-NE2 2.71Å
581	A	96.1	Very high	96.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-47	174.7	0	0	0	0	0	111.8	A577 Q578 A583 Q584 S585 V586 M588	A577-A581 PolarHBondContact O-N 2.9Å; Q578-A581 PolarHBondContact O-N 2.87Å; A581-A583 VanDerWaalsContact C-N 3.29Å; A581-A583 PolarHBondContact O-N 2.72Å; A581-Q584 CarbonylContact O-C 3.58Å; A581-Q584 WeakPolarHBondContact O-CA 3.33Å; A581-Q584 PolarHBondContact O-N 3.34Å; A581-S585 PolarHBondContact O-N 3.27Å; A581-V586 CarbonylContact C-O 3.53Å; A581-V586 HydrophobicContact CB-CB 4.15Å; A581-V586 HydrophobicContact CB-CG1 4.38Å; A581-V586 WeakPolarHBondContact CB-O 3.36Å; A581-V586 PolarHBondContact O-N 2.95Å; A581-M588 HydrophobicContact CB-CG 3.99Å; A581-M588 HydrophobicContact CB-SD 3.43Å; A581-M588 WeakPolarHBondContact CB-SD 3.38Å
582	R	95.8	Very high	96.2	Very high	131 Å²	131	59.1 Å²	59.1	49%	0.494	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-39.5	177.3	-78	-171.6	-67.5	-109.2	-8.4	112.5	Q578 K579 Q584 S585 V586	Q578-R582 WeakPolarHBondContact O-CG 3.22Å; Q578-R582 PolarHBondContact O-N 2.94Å; K579-R582 PolarHBondContact O-N 3.11Å; R582-Q584 PolarHBondContact O-N 2.84Å; R582-S585 PolarHBondContact O-N 3.27Å; R582-V586 PolarHBondContact N-O 3.46Å
583	A	95	Very high	96.2	Very high	89 Å²	89	56 Å²	56	74%	0.736	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-22.1	175.7	0	0	0	0	0	113.1	K579 G580 A581	K579-A583 PolarHBondContact O-N 3.06Å; K579-A583 VanDerWaalsContact O-N 3.16Å; G580-A583 PolarHBondContact O-N 2.69Å; A581-A583 VanDerWaalsContact C-N 3.29Å; A581-A583 PolarHBondContact O-N 2.72Å
584	Q	93.5	Very high	96.1	Very high	83 Å²	83	55.9 Å²	55.9	39%	0.388	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	14.7	175.5	-65.9	169.2	76.3	0	0	112.8	V400 G401 G580 A581 R582 V586	V400-Q584 HydrophobicContact CG1-CB 3.86Å; V400-Q584 HydrophobicContact CG1-CG 4.43Å; G401-Q584 PolarHBondContact O-NE2 3.48Å; G580-Q584 PolarHBondContact O-N 3.36Å; G580-Q584 PolarHBondContact O-NE2 2.71Å; A581-Q584 CarbonylContact O-C 3.58Å; A581-Q584 WeakPolarHBondContact O-CA 3.33Å; A581-Q584 PolarHBondContact O-N 3.34Å; R582-Q584 PolarHBondContact O-N 2.84Å; Q584-V586 PolarHBondContact O-N 2.89Å
585	S	93.2	Very high	96	Very high	110 Å²	110	57.2 Å²	57.2	77%	0.769	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	33.1	-176.1	-54.7	0	0	0	0	114	A581 R582	A581-S585 PolarHBondContact O-N 3.27Å; R582-S585 PolarHBondContact O-N 3.27Å
586	V	92.6	Very high	95.8	Very high	19 Å²	19	62.2 Å²	62.2	12%	0.115	35%	0.35	C	S	.	.			trans	-107.3	120	173.2	178.3	0	0	0	0	109.1	V400 A581 R582 Q584 R604	V400-V586 HydrophobicContact CG1-CG2 4.04Å; A581-V586 CarbonylContact C-O 3.53Å; A581-V586 HydrophobicContact CB-CB 4.15Å; A581-V586 HydrophobicContact CB-CG1 4.38Å; A581-V586 WeakPolarHBondContact CB-O 3.36Å; A581-V586 PolarHBondContact O-N 2.95Å; R582-V586 PolarHBondContact N-O 3.46Å; Q584-V586 PolarHBondContact O-N 2.89Å; V586-R604 HydrophobicContact CG2-CB 4.39Å
587	T	93.3	Very high	95.7	Very high	131 Å²	131	65.4 Å²	65.4	80%	0.804	36%	0.358	S	S	*	.			trans	-81.6	130.8	177.5	-57.8	0	0	0	0	110.3
588	M	96	Very high	95.5	Very high	9 Å²	9	67.3 Å²	67.3	4%	0.044	37%	0.368	C	S	.	.			trans	-121.5	143.5	170.3	-77	173.4	58.4	0	0	109.1	I525 Y574 A577 Q578 A581 I601 M603	I525-M588 HydrophobicContact CD1-CE 3.5Å; I525-M588 HydrophobicContact CD1-SD 4.29Å; Y574-M588 HydrophobicContact CD2-CE 4.34Å; Y574-M588 HydrophobicContact CE1-CE 4.3Å; Y574-M588 HydrophobicContact CE2-CE 3.69Å; A577-M588 HydrophobicContact CB-CE 4.43Å; Q578-M588 HydrophobicContact CB-CE 4.32Å; Q578-M588 HydrophobicContact CG-CB 3.77Å; Q578-M588 PolarHBondContact NE2-O 2.73Å; A581-M588 HydrophobicContact CB-CG 3.99Å; A581-M588 HydrophobicContact CB-SD 3.43Å; A581-M588 WeakPolarHBondContact CB-SD 3.38Å; M588-I601 HydrophobicContact CE-CD1 4.22Å; M588-M603 HydrophobicContact SD-CE 4.09Å
589	P	95.9	Very high	95.3	Very high	42 Å²	42	73.5 Å²	73.5	27%	0.273	40%	0.395	S	S	.	.			trans	-60.4	168.7	175.5	24.9	-33	0	0	0	112	Y574 Q578 A593 F594 I601	Y574-P589 VanDerWaalsContact CE1-O 3.31Å; Y574-P589 WeakPolarHBondContact CE1-O 3.36Å; Y574-P589 PolarHBondContact OH-O 3Å; Q578-P589 PolarHBondContact NE2-O 3.06Å; P589-A593 HydrophobicContact CB-CB 4.35Å; P589-F594 HydrophobicContact CG-CB 4.04Å; P589-I601 HydrophobicContact CG-CD1 3.97Å
590	M	96.5	Very high	95.2	Very high	119 Å²	119	68.6 Å²	68.6	59%	0.586	38%	0.375	S	S	*	.			trans	-71.8	150.1	170.2	-63.9	-60	-69.9	0	0	110.3	N592 A593 F594	M590-N592 VanDerWaalsContact C-N 3.34Å; M590-N592 PolarHBondContact O-N 2.78Å; M590-A593 WeakPolarHBondContact O-CB 3.32Å; M590-A593 PolarHBondContact O-N 2.96Å; M590-F594 PolarHBondContact O-N 3.48Å
591	F	97.5	Very high	95.3	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.035	37%	0.368	C	S	.	.	H	α-helix	trans	-48.4	-49.7	-175.6	177.8	-107.1	0	0	0	113.7	L514 M567 L570 K571 Y574 A593 F594 W595	L514-F591 HydrophobicContact CD1-CE2 4.49Å; M567-F591 HydrophobicContact CE-CE1 3.8Å; M567-F591 HydrophobicContact CE-CZ 3.69Å; L570-F591 HydrophobicContact CB-CE2 4.35Å; L570-F591 HydrophobicContact CB-CZ 4.16Å; K571-F591 HydrophobicContact CB-CD1 3.8Å; K571-F591 HydrophobicContact CB-CD2 4.48Å; K571-F591 HydrophobicContact CB-CE1 3.91Å; K571-F591 HydrophobicContact CB-CG 4.09Å; K571-F591 HydrophobicContact CB-CZ 4.3Å; K571-F591 HydrophobicContact CD-CD1 4.21Å; K571-F591 HydrophobicContact CG-CB 4.09Å; K571-F591 HydrophobicContact CG-CD1 3.81Å; K571-F591 HydrophobicContact CG-CE1 4.43Å; K571-F591 HydrophobicContact CG-CG 3.93Å; Y574-F591 HydrophobicContact CD1-CB 3.74Å; Y574-F591 AromaticContact CD1-CD2 3.99Å; Y574-F591 HydrophobicContact CD1-CD2 3.99Å; Y574-F591 HydrophobicContact CD1-CG 4.37Å; Y574-F591 HydrophobicContact CD2-CD2 4.16Å; Y574-F591 HydrophobicContact CE1-CB 4.19Å; Y574-F591 HydrophobicContact CG-CB 4.3Å; Y574-F591 AromaticContact CG-CD2 3.65Å; Y574-F591 HydrophobicContact CG-CD2 3.65Å; Y574-F591 HydrophobicContact CG-CG 4.46Å; F591-A593 VanDerWaalsContact C-N 3.3Å; F591-A593 PolarHBondContact O-N 2.92Å; F591-F594 HydrophobicContact CD2-CD1 4.35Å; F591-F594 WeakPolarHBondContact O-CB 3.48Å; F591-F594 PolarHBondContact O-N 3.35Å; F591-W595 AromaticContact CE2-CE3 3.88Å; F591-W595 HydrophobicContact CE2-CE3 3.88Å; F591-W595 HydrophobicContact CE2-CZ3 4.45Å; F591-W595 HydrophobicContact CZ-CD2 4.19Å; F591-W595 AromaticContact CZ-CE3 3.84Å; F591-W595 HydrophobicContact CZ-CE3 3.84Å; F591-W595 HydrophobicContact CZ-CZ3 4.41Å; F591-W595 WeakPolarHBondContact O-CB 3.42Å; F591-W595 PolarHBondContact O-N 3.28Å
592	N	96.5	Very high	95.2	Very high	115 Å²	115	73.5 Å²	73.5	62%	0.615	39%	0.391	S	S	*	.	H	α-helix	trans	-61.6	-37.8	-179.6	-69.6	-4.1	0	0	0	112.5	M590 Q596	M590-N592 VanDerWaalsContact C-N 3.34Å; M590-N592 PolarHBondContact O-N 2.78Å; N592-Q596 WeakPolarHBondContact O-CB 3.47Å; N592-Q596 VanDerWaalsContact O-CG 3.23Å; N592-Q596 WeakPolarHBondContact O-CG 3.44Å; N592-Q596 PolarHBondContact O-N 2.8Å
593	A	96.5	Very high	95.2	Very high	40 Å²	40	67.5 Å²	67.5	33%	0.331	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-45.6	177.3	0	0	0	0	0	110.9	P589 M590 F591 W595 Q596 Q597	P589-A593 HydrophobicContact CB-CB 4.35Å; M590-A593 WeakPolarHBondContact O-CB 3.32Å; M590-A593 PolarHBondContact O-N 2.96Å; F591-A593 VanDerWaalsContact C-N 3.3Å; F591-A593 PolarHBondContact O-N 2.92Å; A593-W595 PolarHBondContact O-N 3.37Å; A593-Q596 PolarHBondContact O-N 3.42Å; A593-Q597 WeakPolarHBondContact O-CB 3.33Å; A593-Q597 WeakPolarHBondContact O-CG 3.39Å; A593-Q597 PolarHBondContact O-N 3.42Å
594	F	96.2	Very high	95.3	Very high	1 Å²	1	69.6 Å²	69.6	0%	0.004	36%	0.358	C	S	.	.	H	α-helix	trans	-56.2	-49.7	173.7	161.3	-110.3	0	0	0	111.9	L514 I525 P527 Y574 P589 M590 F591 Q597 K599 I601	L514-F594 HydrophobicContact CD2-CE1 3.57Å; L514-F594 HydrophobicContact CD2-CZ 4.08Å; I525-F594 HydrophobicContact CG2-CE1 4.36Å; I525-F594 HydrophobicContact CG2-CE2 4.07Å; I525-F594 HydrophobicContact CG2-CZ 3.65Å; P527-F594 HydrophobicContact CB-CE1 4.05Å; P527-F594 HydrophobicContact CB-CE2 4.42Å; P527-F594 HydrophobicContact CB-CZ 3.72Å; P527-F594 HydrophobicContact CG-CE2 4.17Å; P527-F594 HydrophobicContact CG-CZ 3.94Å; Y574-F594 AromaticContact CD2-CD1 3.7Å; Y574-F594 HydrophobicContact CD2-CD1 3.7Å; Y574-F594 AromaticContact CD2-CE1 3.87Å; Y574-F594 HydrophobicContact CD2-CE1 3.87Å; Y574-F594 HydrophobicContact CD2-CG 4.37Å; Y574-F594 HydrophobicContact CE2-CB 4.01Å; Y574-F594 AromaticContact CE2-CD1 3.35Å; Y574-F594 HydrophobicContact CE2-CD1 3.35Å; Y574-F594 HydrophobicContact CE2-CD2 4.18Å; Y574-F594 AromaticContact CE2-CE1 3.79Å; Y574-F594 HydrophobicContact CE2-CE1 3.79Å; Y574-F594 AromaticContact CE2-CG 3.57Å; Y574-F594 HydrophobicContact CE2-CG 3.57Å; Y574-F594 HydrophobicContact CE2-CZ 4.35Å; Y574-F594 AromaticContact CZ-CG 3.97Å; P589-F594 HydrophobicContact CG-CB 4.04Å; M590-F594 PolarHBondContact O-N 3.48Å; F591-F594 HydrophobicContact CD2-CD1 4.35Å; F591-F594 WeakPolarHBondContact O-CB 3.48Å; F591-F594 PolarHBondContact O-N 3.35Å; F594-Q597 PolarHBondContact O-N 2.92Å; F594-K599 WeakPolarHBondContact CE2-O 3.23Å; F594-I601 HydrophobicContact CD2-CD1 3.49Å; F594-I601 VanDerWaalsContact CD2-CD1 3.49Å; F594-I601 HydrophobicContact CD2-CG1 3.8Å; F594-I601 HydrophobicContact CE2-CD1 3.9Å; F594-I601 HydrophobicContact CE2-CG1 4.01Å; F594-I601 HydrophobicContact CG-CD1 4.15Å
595	W	97.1	Very high	95.4	Very high	27 Å²	27	72.7 Å²	72.7	10%	0.102	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-46.1	-178.1	-163.1	-98.1	0	0	0	111.3	N512 L514 P527 K529 M567 L570 F591 A593 Q597 N598	N512-W595 HydrophobicContact CB-CH2 3.88Å; N512-W595 HydrophobicContact CB-CZ2 3.86Å; L514-W595 HydrophobicContact CD2-CE3 4.2Å; L514-W595 HydrophobicContact CD2-CZ3 3.66Å; L514-W595 HydrophobicContact CG-CZ3 4.42Å; P527-W595 HydrophobicContact CB-CE3 4.09Å; P527-W595 HydrophobicContact CB-CZ3 4.06Å; K529-W595 WeakPolarHBondContact CE-O 3.38Å; K529-W595 HydrophobicContact CG-CH2 4.38Å; K529-W595 HydrophobicContact CG-CZ2 3.94Å; K529-W595 PolarHBondContact NZ-O 3.5Å; M567-W595 HydrophobicContact CE-CD2 4.08Å; M567-W595 HydrophobicContact CE-CG 4.49Å; M567-W595 HydrophobicContact CE-CZ2 3.98Å; M567-W595 HydrophobicContact SD-CZ2 4.2Å; L570-W595 HydrophobicContact CD1-CH2 3.89Å; L570-W595 HydrophobicContact CD1-CZ3 4.19Å; F591-W595 AromaticContact CE2-CE3 3.88Å; F591-W595 HydrophobicContact CE2-CE3 3.88Å; F591-W595 HydrophobicContact CE2-CZ3 4.45Å; F591-W595 HydrophobicContact CZ-CD2 4.19Å; F591-W595 AromaticContact CZ-CE3 3.84Å; F591-W595 HydrophobicContact CZ-CE3 3.84Å; F591-W595 HydrophobicContact CZ-CZ3 4.41Å; F591-W595 WeakPolarHBondContact O-CB 3.42Å; F591-W595 PolarHBondContact O-N 3.28Å; A593-W595 PolarHBondContact O-N 3.37Å; W595-Q597 PolarHBondContact O-N 3.25Å; W595-N598 PolarHBondContact O-N 3.3Å
596	Q	95	Very high	95.4	Very high	150 Å²	150	68.3 Å²	68.3	70%	0.701	34%	0.335	S	S	*	.	H	α-helix	trans	-67.9	-35.1	179.9	-69.2	-60.2	-14.4	0	0	113.2	N592 A593 N598	N592-Q596 WeakPolarHBondContact O-CB 3.47Å; N592-Q596 VanDerWaalsContact O-CG 3.23Å; N592-Q596 WeakPolarHBondContact O-CG 3.44Å; N592-Q596 PolarHBondContact O-N 2.8Å; A593-Q596 PolarHBondContact O-N 3.42Å; Q596-N598 PolarHBondContact O-N 3.09Å; Q596-N598 VanDerWaalsContact O-N 3.1Å
597	Q	94.2	Very high	95.5	Very high	109 Å²	109	75.3 Å²	75.3	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-19.5	-178.4	-78.6	169.8	16.5	0	0	114.5	A593 F594 W595 K599	A593-Q597 WeakPolarHBondContact O-CB 3.33Å; A593-Q597 WeakPolarHBondContact O-CG 3.39Å; A593-Q597 PolarHBondContact O-N 3.42Å; F594-Q597 PolarHBondContact O-N 2.92Å; W595-Q597 PolarHBondContact O-N 3.25Å; Q597-K599 HydrophobicContact CB-CB 4.49Å; Q597-K599 WeakPolarHBondContact O-CG 3.4Å; Q597-K599 PolarHBondContact O-N 3.38Å
598	N	93.4	Very high	95.7	Very high	41 Å²	41	77.4 Å²	77.4	22%	0.219	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	38.7	-179.8	-161.9	47	0	0	0	112.6	K37 L39 K529 W595 Q596	K37-N598 PolarHBondContact O-ND2 3.29Å; L39-N598 WeakPolarHBondContact CB-OD1 3.19Å; L39-N598 WeakPolarHBondContact CD2-O 3.35Å; L39-N598 PolarHBondContact N-ND2 3.43Å; L39-N598 PolarHBondContact N-OD1 2.88Å; L39-N598 VanDerWaalsContact N-OD1 3.13Å; K529-N598 WeakPolarHBondContact CD-OD1 3.39Å; K529-N598 PolarHBondContact NZ-OD1 3.05Å; W595-N598 PolarHBondContact O-N 3.3Å; Q596-N598 PolarHBondContact O-N 3.09Å; Q596-N598 VanDerWaalsContact O-N 3.1Å
599	K	94.7	Very high	95.7	Very high	138 Å²	138	79 Å²	79	60%	0.6	37%	0.373	S	S	*	.			trans	-130.8	148.3	-176.6	-74.3	174.1	-172.7	-175.5	0	110.1	F594 Q597	F594-K599 WeakPolarHBondContact CE2-O 3.23Å; Q597-K599 HydrophobicContact CB-CB 4.49Å; Q597-K599 WeakPolarHBondContact O-CG 3.4Å; Q597-K599 PolarHBondContact O-N 3.38Å
600	L	95.2	Very high	95.7	Very high	49 Å²	49	79.2 Å²	79.2	26%	0.257	37%	0.371	S	S	.	.			trans	-72.8	157.7	167.8	63.3	78.1	0	0	0	110.8	L39 L63 H524 I525 V526	L39-L600 HydrophobicContact CD2-CB 4.42Å; L63-L600 HydrophobicContact CD2-CD2 3.49Å; L63-L600 VanDerWaalsContact CD2-CD2 3.49Å; H524-L600 HydrophobicContact CB-CB 4.43Å; H524-L600 HydrophobicContact CB-CD1 4.27Å; I525-L600 CarbonylContact O-C 3.59Å; I525-L600 VanDerWaalsContact O-CA 3.28Å; I525-L600 WeakPolarHBondContact O-CA 3.48Å; V526-L600 HydrophobicContact CG2-CB 4.15Å
601	I	96.3	Very high	95.8	Very high	27 Å²	27	79.3 Å²	79.3	14%	0.138	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.6	169.8	-61.8	168.2	0	0	0	107.5	H524 I525 Y574 M588 P589 F594 M603	H524-I601 CarbonylContact C-O 3.47Å; H524-I601 WeakPolarHBondContact CA-O 3.31Å; H524-I601 WeakPolarHBondContact CB-O 3.13Å; I525-I601 HydrophobicContact CB-CB 4.42Å; I525-I601 PolarHBondContact N-O 3.46Å; I525-I601 PolarHBondContact O-N 3.29Å; Y574-I601 HydrophobicContact CE2-CD1 4.05Å; Y574-I601 WeakPolarHBondContact OH-CD1 3.42Å; M588-I601 HydrophobicContact CE-CD1 4.22Å; P589-I601 HydrophobicContact CG-CD1 3.97Å; F594-I601 HydrophobicContact CD2-CD1 3.49Å; F594-I601 VanDerWaalsContact CD2-CD1 3.49Å; F594-I601 HydrophobicContact CD2-CG1 3.8Å; F594-I601 HydrophobicContact CE2-CD1 3.9Å; F594-I601 HydrophobicContact CE2-CG1 4.01Å; F594-I601 HydrophobicContact CG-CD1 4.15Å; I601-M603 HydrophobicContact CB-CE 4.34Å; I601-M603 HydrophobicContact CG2-CE 3.79Å; I601-M603 HydrophobicContact CG2-SD 4.5Å
602	E	95.9	Very high	95.9	Very high	106 Å²	106	82.7 Å²	82.7	50%	0.495	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.4	171	-171	170.3	-179.6	0	0	111.1
603	M	95.9	Very high	96	Very high	4 Å²	4	78.5 Å²	78.5	2%	0.02	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-82.9	147.9	177	-62.4	-57.5	156.8	0	0	111.1	R399 G402 N522 Q523 I525 M588 I601	R399-M603 HydrophobicContact CB-CB 3.53Å; R399-M603 HydrophobicContact CG-CB 4.1Å; G402-M603 PolarHBondContact N-SD 3.46Å; N522-M603 WeakPolarHBondContact O-CB 3.46Å; N522-M603 VanDerWaalsContact O-CG 3.32Å; N522-M603 WeakPolarHBondContact O-CG 3.43Å; Q523-M603 PolarHBondContact O-N 3.06Å; I525-M603 HydrophobicContact CB-CE 4.17Å; I525-M603 HydrophobicContact CD1-CE 3.36Å; I525-M603 HydrophobicContact CG1-CE 3.57Å; M588-M603 HydrophobicContact SD-CE 4.09Å; I601-M603 HydrophobicContact CB-CE 4.34Å; I601-M603 HydrophobicContact CG2-CE 3.79Å; I601-M603 HydrophobicContact CG2-SD 4.5Å
604	R	95.4	Very high	96.1	Very high	134 Å²	134	78.2 Å²	78.2	51%	0.506	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-68.1	139.6	-170.5	-172.1	172.8	61.1	89.5	-6.9	111.6	R399 V400 V586	R399-R604 CarbonylContact C-O 3.59Å; R399-R604 WeakPolarHBondContact CA-O 2.95Å; R399-R604 WeakPolarHBondContact CB-O 3.48Å; V400-R604 PolarHBondContact N-O 3.29Å; V400-R604 PolarHBondContact O-N 2.83Å; V586-R604 HydrophobicContact CG2-CB 4.39Å
605	R	95.6	Very high	96.2	Very high	148 Å²	148	79.1 Å²	79.1	56%	0.558	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-64.1	155.4	171.7	-58.2	-162.8	173.8	-175	-1.2	112
606	S	94.4	Very high	96.2	Very high	18 Å²	18	78.7 Å²	78.7	13%	0.126	36%	0.359	C	S	.	.			trans	-133.1	107.9	179.7	174.2	0	0	0	0	109.6	K608 N609 E610	S606-K608 PolarHBondContact O-N 2.78Å; S606-N609 PolarHBondContact O-N 2.97Å; S606-N609 PolarHBondContact OG-N 2.89Å; S606-N609 PolarHBondContact OG-ND2 2.92Å; S606-E610 WeakPolarHBondContact O-CG 3.41Å; S606-E610 PolarHBondContact O-N 3.44Å
607	E	94.9	Very high	96.4	Very high	166 Å²	166	77.3 Å²	77.3	78%	0.776	36%	0.356	S	S	*	.	H	α-helix	trans	-54.6	-39.2	176.9	-66.6	175	-175	0	0	111.3	N609 E610 Q611	E607-N609 VanDerWaalsContact C-N 3.34Å; E607-N609 PolarHBondContact O-N 3.02Å; E607-E610 PolarHBondContact O-N 3.38Å; E607-Q611 WeakPolarHBondContact O-CG 3.22Å; E607-Q611 PolarHBondContact O-N 3.34Å
608	K	96	Very high	96.6	Very high	174 Å²	174	72.4 Å²	72.4	76%	0.757	33%	0.333	S	S	*	.	H	α-helix	trans	-57.5	-45.2	174.5	-178.8	-175.3	175.2	-175.1	0	112.1	S606 E610 Q611	S606-K608 PolarHBondContact O-N 2.78Å; K608-E610 VanDerWaalsContact C-N 3.34Å; K608-Q611 PolarHBondContact O-N 2.77Å
609	N	96.7	Very high	96.9	Very high	44 Å²	44	73.6 Å²	73.6	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-75.9	-26.9	-177.2	-63.5	-14	0	0	0	111.5	S199 T398 S606 E607 Q611 Y612	S199-N609 PolarHBondContact OG-O 3.22Å; T398-N609 WeakPolarHBondContact O-CB 3.36Å; T398-N609 PolarHBondContact O-ND2 3.3Å; S606-N609 PolarHBondContact O-N 2.97Å; S606-N609 PolarHBondContact OG-N 2.89Å; S606-N609 PolarHBondContact OG-ND2 2.92Å; E607-N609 VanDerWaalsContact C-N 3.34Å; E607-N609 PolarHBondContact O-N 3.02Å; N609-Q611 PolarHBondContact O-N 3.49Å; N609-Y612 WeakPolarHBondContact O-CB 3.26Å; N609-Y612 PolarHBondContact O-N 3.32Å
610	E	97.1	Very high	97	Very high	46 Å²	46	71 Å²	71	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-23.5	170.8	-68.2	178.8	-179.6	0	0	112.2	S199 P397 S606 E607 K608	S199-E610 VanDerWaalsContact CB-O 3.25Å; S199-E610 WeakPolarHBondContact CB-O 3.36Å; P397-E610 HydrophobicContact CB-CB 4.5Å; P397-E610 HydrophobicContact CB-CG 3.77Å; P397-E610 HydrophobicContact CG-CB 4.41Å; P397-E610 HydrophobicContact CG-CG 3.86Å; S606-E610 WeakPolarHBondContact O-CG 3.41Å; S606-E610 PolarHBondContact O-N 3.44Å; E607-E610 PolarHBondContact O-N 3.38Å; K608-E610 VanDerWaalsContact C-N 3.34Å
611	Q	97.9	Very high	97.2	Very high	121 Å²	121	71.6 Å²	71.6	57%	0.565	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	12	177.4	-60.3	-60.9	-45.5	0	0	114.2	E607 K608 N609 V613	E607-Q611 WeakPolarHBondContact O-CG 3.22Å; E607-Q611 PolarHBondContact O-N 3.34Å; K608-Q611 PolarHBondContact O-N 2.77Å; N609-Q611 PolarHBondContact O-N 3.49Å; Q611-V613 PolarHBondContact O-N 2.74Å
612	Y	98.4	Very high	97.2	Very high	79 Å²	79	71.2 Å²	71.2	31%	0.31	34%	0.342	S	S	.	.			trans	-70.3	125.5	-179.2	174.1	-101.9	0	0	0	112.6	Q196 Q197 T198 S199 N609 R614	Q196-Y612 HydrophobicContact CB-CE1 4.15Å; Q196-Y612 HydrophobicContact CG-CD1 3.88Å; Q196-Y612 HydrophobicContact CG-CE1 3.74Å; Q196-Y612 WeakPolarHBondContact O-CE1 3.38Å; Q196-Y612 PolarHBondContact O-OH 3.44Å; Q197-Y612 VanDerWaalsContact O-CD1 3.22Å; Q197-Y612 WeakPolarHBondContact O-CD1 2.96Å; Q197-Y612 WeakPolarHBondContact O-CE1 3.42Å; T198-Y612 WeakPolarHBondContact CA-O 3.48Å; S199-Y612 PolarHBondContact N-O 2.94Å; N609-Y612 WeakPolarHBondContact O-CB 3.26Å; N609-Y612 PolarHBondContact O-N 3.32Å; Y612-R614 HydrophobicContact CE1-CB 4.31Å; Y612-R614 VanDerWaalsContact OH-CD 3.25Å; Y612-R614 WeakPolarHBondContact OH-CD 3.44Å
613	V	98.7	Very high	97.3	Very high	26 Å²	26	72.4 Å²	72.4	16%	0.158	36%	0.356	C	S	.	.			trans	-116.7	116.9	174.4	-179.2	0	0	0	0	109.1	T198 L202 P381 Q611 Y615 G616	T198-V613 HydrophobicContact CG2-CG2 4.49Å; L202-V613 HydrophobicContact CD1-CG2 3.45Å; L202-V613 VanDerWaalsContact CD1-CG2 3.45Å; P381-V613 HydrophobicContact CB-CG2 4.48Å; P381-V613 HydrophobicContact CG-CG2 4.18Å; Q611-V613 PolarHBondContact O-N 2.74Å; V613-Y615 PolarHBondContact O-N 3.36Å; V613-G616 PolarHBondContact O-N 2.81Å
614	R	98.6	Very high	97.4	Very high	34 Å²	34	80 Å²	80	13%	0.128	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	130.2	176	-174.3	64.6	-177.9	154.4	3.7	109.5	S190 E192 E195 Q196 T198 G379 Y612 G616	S190-R614 PolarHBondContact OG-NH2 3.41Å; E192-R614 IonicContact OE1-NE 3.61Å; E192-R614 IonicContact OE2-CZ 3.39Å; E192-R614 IonicContact OE2-NE 3.17Å; E192-R614 PolarHBondContact OE2-NE 3.01Å; E192-R614 IonicContact OE2-NH2 2.74Å; E192-R614 PolarHBondContact OE2-NH2 2.98Å; E195-R614 VanDerWaalsContact CD-NH2 3.26Å; E195-R614 IonicContact OE1-NH2 3.55Å; E195-R614 IonicContact OE2-CZ 3.07Å; E195-R614 IonicContact OE2-NH1 2.92Å; E195-R614 PolarHBondContact OE2-NH1 3.48Å; E195-R614 IonicContact OE2-NH2 2.67Å; E195-R614 PolarHBondContact OE2-NH2 3.32Å; Q196-R614 WeakPolarHBondContact O-CD 3.24Å; T198-R614 PolarHBondContact OG1-N 3.3Å; G379-R614 WeakPolarHBondContact CA-O 3.42Å; Y612-R614 HydrophobicContact CE1-CB 4.31Å; Y612-R614 VanDerWaalsContact OH-CD 3.25Å; Y612-R614 WeakPolarHBondContact OH-CD 3.44Å; R614-G616 PolarHBondContact O-N 3.44Å
615	Y	98.7	Very high	97.5	Very high	21 Å²	21	76.4 Å²	76.4	8%	0.082	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	13.1	-170.9	-56.6	-76.6	0	0	0	116	V188 E192 I378 G379 F385 V613 F618 R619 L627	V188-Y615 HydrophobicContact CB-CE1 4.45Å; V188-Y615 WeakPolarHBondContact CB-OH 3.09Å; V188-Y615 WeakPolarHBondContact CG2-OH 3.39Å; E192-Y615 PolarHBondContact OE2-OH 2.94Å; I378-Y615 HydrophobicContact CG2-CD2 3.97Å; I378-Y615 HydrophobicContact CG2-CG 3.97Å; G379-Y615 WeakPolarHBondContact CA-O 3.24Å; F385-Y615 HydrophobicContact CE1-CE2 4.12Å; F385-Y615 HydrophobicContact CE2-CE2 4.23Å; F385-Y615 HydrophobicContact CZ-CD2 4.39Å; F385-Y615 AromaticContact CZ-CE2 3.56Å; F385-Y615 HydrophobicContact CZ-CE2 3.56Å; V613-Y615 PolarHBondContact O-N 3.36Å; Y615-F618 HydrophobicContact CD1-CD1 4.46Å; Y615-F618 PolarHBondContact O-N 3.08Å; Y615-R619 WeakPolarHBondContact O-CB 3.45Å; Y615-R619 PolarHBondContact O-N 3.19Å; Y615-L627 HydrophobicContact CD1-CD2 3.89Å; Y615-L627 HydrophobicContact CE1-CD1 4.43Å; Y615-L627 HydrophobicContact CE1-CD2 3.85Å
616	G	98.5	Very high	97.7	Very high	18 Å²	18	72 Å²	72	19%	0.186	38%	0.375	C	S	.	.	H	α-helix	trans	-59.7	-47.2	177.3	0	0	0	0	0	112.9	V613 R614 R619 A620	V613-G616 PolarHBondContact O-N 2.81Å; R614-G616 PolarHBondContact O-N 3.44Å; G616-R619 PolarHBondContact O-N 2.76Å; G616-A620 WeakPolarHBondContact O-CB 3.32Å; G616-A620 PolarHBondContact O-N 3.34Å
617	D	98.4	Very high	97.9	Very high	120 Å²	120	72.2 Å²	72.2	64%	0.642	37%	0.374	S	S	*	.	H	α-helix	trans	-65.6	-41.6	179.3	-68.3	-25.4	0	0	0	112.4	R619 A620 D621 N625	D617-R619 VanDerWaalsContact C-N 3.34Å; D617-R619 PolarHBondContact O-N 2.69Å; D617-A620 PolarHBondContact O-N 3.12Å; D617-D621 PolarHBondContact O-N 3.05Å; D617-N625 HydrophobicContact CB-CB 4.14Å; D617-N625 PolarHBondContact O-ND2 2.83Å
618	F	98.7	Very high	98	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-41.8	173.5	171.3	-114.3	0	0	0	111.6	Y299 Y615 D621 P622 N625 L627 I634	Y299-F618 HydrophobicContact CD1-CD1 4.31Å; Y299-F618 AromaticContact CD1-CE1 3.78Å; Y299-F618 HydrophobicContact CD1-CE1 3.78Å; Y299-F618 HydrophobicContact CD1-CE2 4.42Å; Y299-F618 AromaticContact CD1-CZ 3.85Å; Y299-F618 HydrophobicContact CD1-CZ 3.85Å; Y299-F618 HydrophobicContact CG-CE1 4.31Å; Y299-F618 HydrophobicContact CG-CZ 4.41Å; Y615-F618 HydrophobicContact CD1-CD1 4.46Å; Y615-F618 PolarHBondContact O-N 3.08Å; F618-D621 CarbonylContact O-C 3.54Å; F618-P622 HydrophobicContact CD2-CB 3.79Å; F618-P622 HydrophobicContact CE2-CB 3.49Å; F618-P622 VanDerWaalsContact CE2-CB 3.49Å; F618-P622 HydrophobicContact CZ-CB 4.18Å; F618-P622 VanDerWaalsContact O-CA 3.24Å; F618-P622 WeakPolarHBondContact O-CA 3.25Å; F618-P622 WeakPolarHBondContact O-CB 3.39Å; F618-P622 WeakPolarHBondContact O-CD 3.37Å; F618-N625 WeakPolarHBondContact CD2-O 3.47Å; F618-L627 HydrophobicContact CB-CD2 4.07Å; F618-L627 HydrophobicContact CD1-CD1 4.41Å; F618-L627 HydrophobicContact CD1-CD2 4.14Å; F618-L627 HydrophobicContact CD1-CG 4.36Å; F618-L627 HydrophobicContact CD2-CD2 3.86Å; F618-L627 HydrophobicContact CD2-CG 3.85Å; F618-L627 HydrophobicContact CE1-CD1 4.1Å; F618-L627 HydrophobicContact CE1-CG 4.32Å; F618-L627 HydrophobicContact CE2-CD1 4.34Å; F618-L627 HydrophobicContact CE2-CD2 4.33Å; F618-L627 HydrophobicContact CE2-CG 3.81Å; F618-L627 HydrophobicContact CG-CD2 3.75Å; F618-L627 HydrophobicContact CG-CG 4.13Å; F618-L627 HydrophobicContact CZ-CD1 4.06Å; F618-L627 HydrophobicContact CZ-CG 4.05Å; F618-I634 HydrophobicContact CE1-CD1 4.28Å; F618-I634 HydrophobicContact CE1-CG1 4.23Å
619	R	98.6	Very high	98.2	Very high	66 Å²	66	59.7 Å²	59.7	25%	0.249	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-42.9	176.6	-170.2	-175.1	-175.1	85.7	1.2	111.6	F295 Y299 G376 I378 G379 T380 Y615 G616 D617	F295-R619 VanDerWaalsContact CD2-NH1 3.34Å; F295-R619 VanDerWaalsContact CE2-NH1 3.29Å; Y299-R619 HydrophobicContact CE1-CG 4.46Å; Y299-R619 WeakPolarHBondContact CE1-O 3.34Å; Y299-R619 PolarHBondContact OH-O 3.27Å; G376-R619 PolarHBondContact O-NH1 2.94Å; G376-R619 PolarHBondContact O-NH2 2.92Å; G376-R619 VanDerWaalsContact O-NH2 3.13Å; I378-R619 WeakPolarHBondContact O-CD 3.41Å; I378-R619 PolarHBondContact O-NH1 3.21Å; G379-R619 WeakPolarHBondContact O-CD 3.5Å; T380-R619 VanDerWaalsContact CG2-CZ 3.46Å; T380-R619 VanDerWaalsContact CG2-NE 3.31Å; Y615-R619 WeakPolarHBondContact O-CB 3.45Å; Y615-R619 PolarHBondContact O-N 3.19Å; G616-R619 PolarHBondContact O-N 2.76Å; D617-R619 VanDerWaalsContact C-N 3.34Å; D617-R619 PolarHBondContact O-N 2.69Å
620	A	98.3	Very high	98.2	Very high	82 Å²	82	62.2 Å²	62.2	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-62.3	-45.7	-179.3	0	0	0	0	0	111.8	G616 D617	G616-A620 WeakPolarHBondContact O-CB 3.32Å; G616-A620 PolarHBondContact O-N 3.34Å; D617-A620 PolarHBondContact O-N 3.12Å
621	D	98.1	Very high	98.3	Very high	63 Å²	63	62.4 Å²	62.4	34%	0.337	36%	0.362	S	S	.	.			trans	-149.5	96.7	177.1	-172.6	-19.8	0	0	0	110.7	D617 F618 V623 K624 N625	D617-D621 PolarHBondContact O-N 3.05Å; F618-D621 CarbonylContact O-C 3.54Å; D621-V623 PolarHBondContact O-N 3.13Å; D621-V623 PolarHBondContact OD1-N 2.96Å; D621-K624 HydrophobicContact CB-CB 4.02Å; D621-K624 PolarHBondContact O-N 3.08Å; D621-K624 PolarHBondContact OD1-N 2.96Å; D621-K624 VanDerWaalsContact OD2-CB 3.28Å; D621-K624 WeakPolarHBondContact OD2-CB 3.44Å; D621-N625 WeakPolarHBondContact O-CB 3.48Å; D621-N625 PolarHBondContact O-N 3.33Å; D621-N625 PolarHBondContact O-ND2 3.37Å
622	P	97.9	Very high	98.3	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.123	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.7	-176.7	30	-35.3	0	0	0	113.2	Y299 F618 A626	Y299-P622 HydrophobicContact CD1-CB 3.81Å; Y299-P622 HydrophobicContact CD1-CG 3.99Å; Y299-P622 HydrophobicContact CE1-CB 3.87Å; Y299-P622 HydrophobicContact CE1-CG 3.65Å; F618-P622 HydrophobicContact CD2-CB 3.79Å; F618-P622 HydrophobicContact CE2-CB 3.49Å; F618-P622 VanDerWaalsContact CE2-CB 3.49Å; F618-P622 HydrophobicContact CZ-CB 4.18Å; F618-P622 VanDerWaalsContact O-CA 3.24Å; F618-P622 WeakPolarHBondContact O-CA 3.25Å; F618-P622 WeakPolarHBondContact O-CB 3.39Å; F618-P622 WeakPolarHBondContact O-CD 3.37Å; P622-A626 VanDerWaalsContact O-CA 3.31Å; P622-A626 WeakPolarHBondContact O-CA 2.99Å; P622-A626 PolarHBondContact O-N 3.03Å
623	V	97.2	Very high	98.3	Very high	130 Å²	130	56.7 Å²	56.7	79%	0.788	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-48	175.8	177	0	0	0	0	109.1	D621	D621-V623 PolarHBondContact O-N 3.13Å; D621-V623 PolarHBondContact OD1-N 2.96Å
624	K	97.9	Very high	98.3	Very high	165 Å²	165	55.5 Å²	55.5	72%	0.717	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-36.7	178.4	-175.6	180	177.1	-176.6	0	112.7	D621	D621-K624 HydrophobicContact CB-CB 4.02Å; D621-K624 PolarHBondContact O-N 3.08Å; D621-K624 PolarHBondContact OD1-N 2.96Å; D621-K624 VanDerWaalsContact OD2-CB 3.28Å; D621-K624 WeakPolarHBondContact OD2-CB 3.44Å
625	N	98.2	Very high	98.4	Very high	58 Å²	58	54.3 Å²	54.3	31%	0.31	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	44.6	-176.5	-53.4	-64.2	0	0	0	110.9	D617 F618 D621	D617-N625 HydrophobicContact CB-CB 4.14Å; D617-N625 PolarHBondContact O-ND2 2.83Å; F618-N625 WeakPolarHBondContact CD2-O 3.47Å; D621-N625 WeakPolarHBondContact O-CB 3.48Å; D621-N625 PolarHBondContact O-N 3.33Å; D621-N625 PolarHBondContact O-ND2 3.37Å
626	A	98.3	Very high	98.4	Very high	56 Å²	56	53.3 Å²	53.3	46%	0.463	33%	0.325	S	S	.	.			trans	-54.5	143.6	178.3	0	0	0	0	0	111.8	P622	P622-A626 VanDerWaalsContact O-CA 3.31Å; P622-A626 WeakPolarHBondContact O-CA 2.99Å; P622-A626 PolarHBondContact O-N 3.03Å
627	L	98.6	Very high	98.4	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.115	32%	0.323	C	S	.	.			trans	-70.6	161.5	177.1	-58.6	-173	0	0	0	111.4	Y615 F618 T629 G632 I634	Y615-L627 HydrophobicContact CD1-CD2 3.89Å; Y615-L627 HydrophobicContact CE1-CD1 4.43Å; Y615-L627 HydrophobicContact CE1-CD2 3.85Å; F618-L627 HydrophobicContact CB-CD2 4.07Å; F618-L627 HydrophobicContact CD1-CD1 4.41Å; F618-L627 HydrophobicContact CD1-CD2 4.14Å; F618-L627 HydrophobicContact CD1-CG 4.36Å; F618-L627 HydrophobicContact CD2-CD2 3.86Å; F618-L627 HydrophobicContact CD2-CG 3.85Å; F618-L627 HydrophobicContact CE1-CD1 4.1Å; F618-L627 HydrophobicContact CE1-CG 4.32Å; F618-L627 HydrophobicContact CE2-CD1 4.34Å; F618-L627 HydrophobicContact CE2-CD2 4.33Å; F618-L627 HydrophobicContact CE2-CG 3.81Å; F618-L627 HydrophobicContact CG-CD2 3.75Å; F618-L627 HydrophobicContact CG-CG 4.13Å; F618-L627 HydrophobicContact CZ-CD1 4.06Å; F618-L627 HydrophobicContact CZ-CG 4.05Å; L627-T629 PolarHBondContact O-N 3.02Å; L627-G632 PolarHBondContact N-O 3.46Å; L627-G632 WeakPolarHBondContact O-CA 3.2Å; L627-I634 HydrophobicContact CD1-CG1 3.67Å
628	G	98.2	Very high	98.4	Very high	65 Å²	65	48.5 Å²	48.5	67%	0.67	29%	0.293	S	S	*	.	S	Bend	trans	-72.3	15.1	177.5	0	0	0	0	0	115.5	G189	G189-G628 VanDerWaalsContact CA-C 3.46Å
629	T	98.6	Very high	98.4	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.067	32%	0.32	C	S	.	.	S	Bend	trans	-85	160.1	176.9	60.3	0	0	0	0	111	L627 S631 G632 K633 E635	L627-T629 PolarHBondContact O-N 3.02Å; T629-S631 PolarHBondContact O-N 3.16Å; T629-S631 VanDerWaalsContact O-N 3.12Å; T629-G632 PolarHBondContact O-N 3.2Å; T629-G632 PolarHBondContact OG1-N 2.83Å; T629-K633 WeakPolarHBondContact CB-O 3.44Å; T629-K633 WeakPolarHBondContact CG2-O 3.43Å; T629-K633 PolarHBondContact OG1-N 2.91Å; T629-K633 VanDerWaalsContact OG1-N 3.13Å; T629-K633 PolarHBondContact OG1-O 2.94Å; T629-E635 HydrophobicContact CG2-CG 4.12Å
630	P	98.2	Very high	98.3	Very high	98 Å²	98	53.5 Å²	53.5	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-33	176	-28.3	35.5	0	0	0	114.7	E635	P630-E635 WeakPolarHBondContact CD-OE1 3.34Å
631	S	98.1	Very high	98.3	Very high	49 Å²	49	49.8 Å²	49.8	34%	0.343	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.8	178.1	58.9	0	0	0	0	115.2	T301 T629 K633 E635	T301-S631 WeakPolarHBondContact CG2-OG 3.12Å; T629-S631 PolarHBondContact O-N 3.16Å; T629-S631 VanDerWaalsContact O-N 3.12Å; S631-K633 PolarHBondContact O-N 3.49Å; S631-K633 PolarHBondContact OG-N 3.24Å; S631-E635 WeakPolarHBondContact CB-OE1 3.46Å; S631-E635 PolarHBondContact N-OE1 3.24Å; S631-E635 VanDerWaalsContact N-OE1 3.14Å; S631-E635 PolarHBondContact OG-OE1 3.46Å
632	G	98.5	Very high	98.4	Very high	13 Å²	13	51.7 Å²	51.7	13%	0.134	30%	0.295	C	S	.	.	S	Bend	trans	72.3	5.8	-169.9	0	0	0	0	0	114.5	L627 T629	L627-G632 PolarHBondContact N-O 3.46Å; L627-G632 WeakPolarHBondContact O-CA 3.2Å; T629-G632 PolarHBondContact O-N 3.2Å; T629-G632 PolarHBondContact OG1-N 2.83Å
633	K	98.8	Very high	98.4	Very high	68 Å²	68	59.2 Å²	59.2	30%	0.296	33%	0.326	S	S	.	.	S	Bend	trans	-127.6	175.1	-174.6	-65.6	-171.1	-176.4	-168.1	0	111.4	E297 K298 Y299 T300 T629 S631 E635	E297-K633 PolarHBondContact O-NZ 3.38Å; K298-K633 WeakPolarHBondContact O-CE 3.27Å; K298-K633 PolarHBondContact O-NZ 2.85Å; Y299-K633 WeakPolarHBondContact O-CB 3.38Å; T300-K633 VanDerWaalsContact O-CD 3.29Å; T300-K633 WeakPolarHBondContact O-CD 3.11Å; T629-K633 WeakPolarHBondContact CB-O 3.44Å; T629-K633 WeakPolarHBondContact CG2-O 3.43Å; T629-K633 PolarHBondContact OG1-N 2.91Å; T629-K633 VanDerWaalsContact OG1-N 3.13Å; T629-K633 PolarHBondContact OG1-O 2.94Å; S631-K633 PolarHBondContact O-N 3.49Å; S631-K633 PolarHBondContact OG-N 3.24Å; K633-E635 PolarHBondContact O-N 3.08Å
634	I	98.9	Very high	98.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.8	171.2	-59	172	0	0	0	109.2	V187 F295 Y299 T300 T301 V369 I378 F618 L627 I636	V187-I634 HydrophobicContact CG1-CG2 4.31Å; V187-I634 CarbonylContact O-C 3.56Å; V187-I634 VanDerWaalsContact O-CA 3.31Å; V187-I634 WeakPolarHBondContact O-CA 3.48Å; F295-I634 HydrophobicContact CE1-CD1 4.25Å; F295-I634 HydrophobicContact CZ-CD1 4.25Å; Y299-I634 PolarHBondContact O-N 2.96Å; T300-I634 CarbonylContact C-O 3.5Å; T300-I634 WeakPolarHBondContact CA-O 3.46Å; T300-I634 WeakPolarHBondContact CB-O 3.43Å; T300-I634 HydrophobicContact CG2-CB 4.21Å; T301-I634 PolarHBondContact N-O 3.11Å; V369-I634 HydrophobicContact CG1-CG2 3.76Å; I378-I634 HydrophobicContact CD1-CD1 3.67Å; I378-I634 HydrophobicContact CG2-CD1 4.45Å; F618-I634 HydrophobicContact CE1-CD1 4.28Å; F618-I634 HydrophobicContact CE1-CG1 4.23Å; L627-I634 HydrophobicContact CD1-CG1 3.67Å; I634-I636 PolarHBondContact O-N 2.77Å
635	E	98.9	Very high	98.4	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	98.2	179.3	-52.2	-151	160.6	0	0	111.3	H186 V187 T301 W366 T629 P630 S631 K633 S638	H186-E635 WeakPolarHBondContact O-CB 3.45Å; V187-E635 PolarHBondContact O-N 2.83Å; T301-E635 HydrophobicContact CG2-CB 4.03Å; T301-E635 HydrophobicContact CG2-CG 3.75Å; W366-E635 PolarHBondContact NE1-O 2.94Å; T629-E635 HydrophobicContact CG2-CG 4.12Å; P630-E635 WeakPolarHBondContact CD-OE1 3.34Å; S631-E635 WeakPolarHBondContact CB-OE1 3.46Å; S631-E635 PolarHBondContact N-OE1 3.24Å; S631-E635 VanDerWaalsContact N-OE1 3.14Å; S631-E635 PolarHBondContact OG-OE1 3.46Å; K633-E635 PolarHBondContact O-N 3.08Å; E635-S638 WeakPolarHBondContact OE2-CA 3.47Å; E635-S638 PolarHBondContact OE2-OG 3.32Å; E635-S638 VanDerWaalsContact OE2-OG 3.04Å
636	I	98.9	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-72.7	-36.9	168.5	-64.5	173.8	0	0	0	109.5	L296 T300 T301 Y303 F306 W366 T370 I634 H652 P653	L296-I636 HydrophobicContact CD2-CD1 3.82Å; T300-I636 HydrophobicContact CG2-CD1 4.09Å; T301-I636 PolarHBondContact O-N 3Å; Y303-I636 HydrophobicContact CD2-CD1 4.06Å; F306-I636 HydrophobicContact CB-CG2 3.51Å; F306-I636 HydrophobicContact CD1-CG2 4.15Å; F306-I636 HydrophobicContact CD2-CG2 4.26Å; F306-I636 HydrophobicContact CG-CG2 3.71Å; W366-I636 WeakPolarHBondContact CZ2-O 3.4Å; T370-I636 HydrophobicContact CG2-CD1 4.19Å; T370-I636 HydrophobicContact CG2-CG1 4.19Å; T370-I636 HydrophobicContact CG2-CG2 3.87Å; I634-I636 PolarHBondContact O-N 2.77Å; I636-H652 WeakPolarHBondContact O-CA 3.34Å; I636-H652 WeakPolarHBondContact O-CB 3.32Å; I636-P653 VanDerWaalsContact O-CD 3.25Å; I636-P653 WeakPolarHBondContact O-CD 3.11Å
637	Y	98.8	Very high	98.3	Very high	38 Å²	38	55.6 Å²	55.6	15%	0.149	30%	0.303	C	S	.	.	S	Bend	trans	-116.4	123.6	167.5	-170.9	-77.8	0	0	0	109.4	T301 Q305 E642 A651 H652	T301-Y637 PolarHBondContact O-N 3.21Å; Q305-Y637 HydrophobicContact CB-CD2 3.66Å; Q305-Y637 HydrophobicContact CB-CE2 4.16Å; Q305-Y637 HydrophobicContact CB-CG 4.32Å; Q305-Y637 HydrophobicContact CG-CD2 4.16Å; Q305-Y637 HydrophobicContact CG-CE2 4.42Å; Y637-E642 HydrophobicContact CE1-CB 4.21Å; Y637-E642 WeakPolarHBondContact OH-CG 3.43Å; Y637-E642 PolarHBondContact OH-OE1 2.79Å; Y637-A651 CarbonylContact C-O 3.51Å; Y637-A651 VanDerWaalsContact CA-O 3.28Å; Y637-A651 WeakPolarHBondContact CA-O 3.24Å; Y637-A651 HydrophobicContact CD1-CB 4.4Å; Y637-A651 HydrophobicContact CD2-CB 4.25Å; Y637-A651 HydrophobicContact CE1-CB 3.84Å; Y637-A651 HydrophobicContact CE2-CB 3.69Å; Y637-A651 VanDerWaalsContact CZ-CB 3.43Å; Y637-H652 HydrophobicContact CD2-CB 4.02Å; Y637-H652 AromaticContact CD2-CD2 3.92Å
638	S	98.6	Very high	98.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.306	C	S	.	.			trans	-104.7	114.1	178.7	-172.2	0	0	0	0	112.2	E635 T640 L641 E642 A651	E635-S638 WeakPolarHBondContact OE2-CA 3.47Å; E635-S638 PolarHBondContact OE2-OG 3.32Å; E635-S638 VanDerWaalsContact OE2-OG 3.04Å; S638-T640 PolarHBondContact O-N 2.88Å; S638-T640 PolarHBondContact OG-N 3.06Å; S638-L641 PolarHBondContact O-N 3.2Å; S638-E642 PolarHBondContact O-N 3.12Å; S638-A651 PolarHBondContact N-O 3.29Å
639	K	98.2	Very high	98.3	Very high	138 Å²	138	53.1 Å²	53.1	60%	0.6	28%	0.275	S	S	*	.	H	α-helix	trans	-64.1	-23	173.1	-65.8	-175.9	179.9	179.9	0	112.6	K643	K639-K643 VanDerWaalsContact O-CG 3.31Å; K639-K643 WeakPolarHBondContact O-CG 3.34Å; K639-K643 PolarHBondContact O-N 3.14Å
640	T	98.3	Very high	98.3	Very high	40 Å²	40	54.1 Å²	54.1	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-48.2	174.4	-60.6	0	0	0	0	110.1	S638 K643 F644	S638-T640 PolarHBondContact O-N 2.88Å; S638-T640 PolarHBondContact OG-N 3.06Å; T640-K643 WeakPolarHBondContact O-CB 3.2Å; T640-K643 PolarHBondContact O-N 3.26Å; T640-F644 HydrophobicContact CG2-CE1 4.14Å; T640-F644 HydrophobicContact CG2-CE2 4.07Å; T640-F644 HydrophobicContact CG2-CZ 3.64Å; T640-F644 PolarHBondContact O-N 3.05Å
641	L	98.3	Very high	98.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-37.1	178.3	-61.1	-179.7	0	0	0	112.1	I183 H186 W366 S638 K643 F644 G645 L776	I183-L641 HydrophobicContact CD1-CD1 3.61Å; H186-L641 HydrophobicContact CB-CD1 4.35Å; H186-L641 HydrophobicContact CB-CG 4.48Å; W366-L641 HydrophobicContact CH2-CD1 3.44Å; W366-L641 VanDerWaalsContact CH2-CD1 3.44Å; W366-L641 HydrophobicContact CZ2-CD1 4.24Å; W366-L641 HydrophobicContact CZ3-CD1 3.73Å; S638-L641 PolarHBondContact O-N 3.2Å; L641-K643 VanDerWaalsContact C-N 3.29Å; L641-K643 PolarHBondContact O-N 2.73Å; L641-F644 HydrophobicContact CD2-CD2 3.83Å; L641-F644 HydrophobicContact CD2-CE2 3.93Å; L641-F644 PolarHBondContact O-N 2.72Å; L641-F644 VanDerWaalsContact O-N 3.12Å; L641-G645 PolarHBondContact O-N 2.77Å; L641-L776 HydrophobicContact CD2-CD1 3.53Å; L641-L776 HydrophobicContact CD2-CD2 3.93Å; L641-L776 HydrophobicContact CD2-CG 4.42Å
642	E	98.2	Very high	98.3	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-52.4	-46.5	170.6	-175.9	-175.1	-149	0	0	111.8	Y637 S638 F644 G645 A651	Y637-E642 HydrophobicContact CE1-CB 4.21Å; Y637-E642 WeakPolarHBondContact OH-CG 3.43Å; Y637-E642 PolarHBondContact OH-OE1 2.79Å; S638-E642 PolarHBondContact O-N 3.12Å; E642-F644 VanDerWaalsContact C-N 3.3Å; E642-F644 PolarHBondContact O-N 3.32Å; E642-G645 PolarHBondContact O-N 3.45Å; E642-A651 HydrophobicContact CB-CB 3.79Å
643	K	98.2	Very high	98.3	Very high	177 Å²	177	48.3 Å²	48.3	77%	0.77	24%	0.239	S	C	*	.	H	α-helix	trans	-66.3	-27.1	179.8	-72.3	171.5	-175.9	179.7	0	113.9	K639 T640 L641 G645	K639-K643 VanDerWaalsContact O-CG 3.31Å; K639-K643 WeakPolarHBondContact O-CG 3.34Å; K639-K643 PolarHBondContact O-N 3.14Å; T640-K643 WeakPolarHBondContact O-CB 3.2Å; T640-K643 PolarHBondContact O-N 3.26Å; L641-K643 VanDerWaalsContact C-N 3.29Å; L641-K643 PolarHBondContact O-N 2.73Å; K643-G645 VanDerWaalsContact C-N 3.28Å
644	F	97.8	Very high	98.3	Very high	60 Å²	60	45.9 Å²	45.9	26%	0.263	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-27.6	176.5	-62.9	-19.7	0	0	0	112	G447 T640 L641 E642 Y646 L776	G447-F644 VanDerWaalsContact CA-CE1 3.46Å; T640-F644 HydrophobicContact CG2-CE1 4.14Å; T640-F644 HydrophobicContact CG2-CE2 4.07Å; T640-F644 HydrophobicContact CG2-CZ 3.64Å; T640-F644 PolarHBondContact O-N 3.05Å; L641-F644 HydrophobicContact CD2-CD2 3.83Å; L641-F644 HydrophobicContact CD2-CE2 3.93Å; L641-F644 PolarHBondContact O-N 2.72Å; L641-F644 VanDerWaalsContact O-N 3.12Å; E642-F644 VanDerWaalsContact C-N 3.3Å; E642-F644 PolarHBondContact O-N 3.32Å; F644-Y646 HydrophobicContact CB-CD1 4.34Å; F644-Y646 HydrophobicContact CB-CD2 3.88Å; F644-Y646 HydrophobicContact CB-CE1 4.29Å; F644-Y646 HydrophobicContact CB-CE2 3.83Å; F644-Y646 HydrophobicContact CB-CG 4.14Å; F644-Y646 HydrophobicContact CD2-CD2 4.37Å; F644-Y646 HydrophobicContact CD2-CE2 4.02Å; F644-Y646 HydrophobicContact CG-CE2 4.18Å; F644-Y646 WeakPolarHBondContact O-CD1 3.37Å; F644-Y646 PolarHBondContact O-N 2.67Å; F644-L776 HydrophobicContact CD2-CD1 3.97Å; F644-L776 HydrophobicContact CE2-CD1 4.03Å
645	G	97.3	Very high	98.3	Very high	60 Å²	60	47.5 Å²	47.5	62%	0.619	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	22.5	175.6	0	0	0	0	0	114.4	L641 E642 K643	L641-G645 PolarHBondContact O-N 2.77Å; E642-G645 PolarHBondContact O-N 3.45Å; K643-G645 VanDerWaalsContact C-N 3.28Å
646	Y	98	Very high	98.3	Very high	20 Å²	20	49 Å²	49	8%	0.078	24%	0.243	C	C	.	.			trans	-75.1	125	178.6	-60.5	-26.5	0	0	0	110.9	Q444 G447 F644 C649 Q775 L776	Q444-Y646 HydrophobicContact CB-CE1 4.1Å; Q444-Y646 HydrophobicContact CG-CE1 4.11Å; Q444-Y646 PolarHBondContact OE1-OH 3.21Å; G447-Y646 WeakPolarHBondContact CA-OH 3.48Å; G447-Y646 PolarHBondContact N-OH 3.42Å; F644-Y646 HydrophobicContact CB-CD1 4.34Å; F644-Y646 HydrophobicContact CB-CD2 3.88Å; F644-Y646 HydrophobicContact CB-CE1 4.29Å; F644-Y646 HydrophobicContact CB-CE2 3.83Å; F644-Y646 HydrophobicContact CB-CG 4.14Å; F644-Y646 HydrophobicContact CD2-CD2 4.37Å; F644-Y646 HydrophobicContact CD2-CE2 4.02Å; F644-Y646 HydrophobicContact CG-CE2 4.18Å; F644-Y646 WeakPolarHBondContact O-CD1 3.37Å; F644-Y646 PolarHBondContact O-N 2.67Å; Y646-C649 CarbonylContact O-C 3.58Å; Y646-Q775 HydrophobicContact CD1-CB 4.08Å; Y646-Q775 HydrophobicContact CD2-CB 4.03Å; Y646-Q775 HydrophobicContact CE1-CB 4.32Å; Y646-Q775 HydrophobicContact CE2-CB 4.26Å; Y646-Q775 HydrophobicContact CG-CB 3.94Å; Y646-L776 HydrophobicContact CD2-CB 4.4Å; Y646-L776 HydrophobicContact CD2-CD1 4.39Å; Y646-L776 HydrophobicContact CE2-CD1 4.32Å
647	K	96.8	Very high	98.2	Very high	192 Å²	192	51.3 Å²	51.3	84%	0.835	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-29.3	-179.4	-67.3	-176.8	179.4	-179.9	0	112.7	C649	K647-C649 VanDerWaalsContact C-N 3.34Å
648	D	98.1	Very high	98.1	Very high	34 Å²	34	50 Å²	50	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.1	-179.8	60.2	-5.4	0	0	0	113.6	Y360 S774 Q775	Y360-D648 HydrophobicContact CD1-CB 4.12Å; Y360-D648 WeakPolarHBondContact CD1-O 3.48Å; Y360-D648 HydrophobicContact CE1-CB 3.72Å; D648-S774 WeakPolarHBondContact O-CB 3.25Å; D648-S774 VanDerWaalsContact OD2-CA 3.22Å; D648-S774 WeakPolarHBondContact OD2-CA 3.35Å; D648-Q775 PolarHBondContact OD1-N 3.48Å; D648-Q775 WeakPolarHBondContact OD2-CG 3.21Å; D648-Q775 PolarHBondContact OD2-N 2.94Å
649	C	98.5	Very high	98	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	28%	0.283	C	S	.	.	S	Bend	trans	-146.9	81.5	169.1	-161	0	0	0	0	110.5	Q363 Y646 K647 L776	Q363-C649 PolarHBondContact NE2-SG 2.82Å; Y646-C649 CarbonylContact O-C 3.58Å; K647-C649 VanDerWaalsContact C-N 3.34Å; C649-L776 HydrophobicContact CB-CB 3.95Å; C649-L776 VanDerWaalsContact SG-CD2 3.56Å
650	P	98.3	Very high	97.9	Very high	31 Å²	31	49.8 Å²	49.8	20%	0.201	26%	0.263	C	S	.	.			trans	-62.5	171.3	-178.7	-24	35.3	0	0	0	113.8	W366 H652 T654	W366-P650 WeakPolarHBondContact CH2-O 2.91Å; W366-P650 VanDerWaalsContact CZ3-O 3.26Å; W366-P650 WeakPolarHBondContact CZ3-O 3.21Å; P650-H652 PolarHBondContact O-N 3.32Å; P650-T654 HydrophobicContact CG-CG2 4.31Å
651	A	98.5	Very high	97.8	Very high	11 Å²	11	49.6 Å²	49.6	9%	0.091	26%	0.258	C	S	.	.	S	Bend	trans	-73.4	-4.1	-175.7	0	0	0	0	0	115.5	W366 Y637 S638 E642	W366-A651 VanDerWaalsContact CH2-O 3.27Å; W366-A651 WeakPolarHBondContact CH2-O 3.5Å; W366-A651 WeakPolarHBondContact CZ2-O 3.4Å; Y637-A651 CarbonylContact C-O 3.51Å; Y637-A651 VanDerWaalsContact CA-O 3.28Å; Y637-A651 WeakPolarHBondContact CA-O 3.24Å; Y637-A651 HydrophobicContact CD1-CB 4.4Å; Y637-A651 HydrophobicContact CD2-CB 4.25Å; Y637-A651 HydrophobicContact CE1-CB 3.84Å; Y637-A651 HydrophobicContact CE2-CB 3.69Å; Y637-A651 VanDerWaalsContact CZ-CB 3.43Å; S638-A651 PolarHBondContact N-O 3.29Å; E642-A651 HydrophobicContact CB-CB 3.79Å
652	H	98.7	Very high	97.8	Very high	27 Å²	27	53.8 Å²	53.8	13%	0.125	28%	0.276	C	S	.	.	S	Bend	trans	-144.4	164.1	171.8	65.1	72.5	0	0	0	109.9	Y309 I636 Y637 P650 T654	Y309-H652 AromaticContact CD1-CE1 3.62Å; Y309-H652 AromaticContact CD1-ND1 3.94Å; Y309-H652 AromaticContact CD2-CE1 3.95Å; Y309-H652 AromaticContact CG-CE1 3.42Å; Y309-H652 VanDerWaalsContact CG-CE1 3.42Å; I636-H652 WeakPolarHBondContact O-CA 3.34Å; I636-H652 WeakPolarHBondContact O-CB 3.32Å; Y637-H652 HydrophobicContact CD2-CB 4.02Å; Y637-H652 AromaticContact CD2-CD2 3.92Å; P650-H652 PolarHBondContact O-N 3.32Å; H652-T654 PolarHBondContact CE1-OG1 2.9Å; H652-T654 VanDerWaalsContact CE1-OG1 3.24Å; H652-T654 PolarHBondContact ND1-OG1 3.36Å; H652-T654 PolarHBondContact O-N 3.44Å; H652-T654 PolarHBondContact O-OG1 2.95Å
653	P	98.7	Very high	97.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.			trans	-54.8	125.9	176.6	-18.5	26.1	0	0	0	111	F306 W366 M367 T370 I636	F306-P653 HydrophobicContact CE2-CB 4.33Å; F306-P653 HydrophobicContact CE2-CG 4.46Å; W366-P653 HydrophobicContact CB-CG 4.37Å; W366-P653 HydrophobicContact CD2-CB 4.46Å; W366-P653 HydrophobicContact CD2-CG 3.76Å; W366-P653 HydrophobicContact CE3-CG 4.43Å; W366-P653 HydrophobicContact CG-CB 4.43Å; W366-P653 HydrophobicContact CG-CG 3.67Å; M367-P653 HydrophobicContact CB-CB 3.86Å; M367-P653 HydrophobicContact CG-CB 4.34Å; M367-P653 HydrophobicContact SD-CB 3.71Å; M367-P653 HydrophobicContact SD-CG 4.31Å; T370-P653 WeakPolarHBondContact OG1-CG 3.34Å; I636-P653 VanDerWaalsContact O-CD 3.25Å; I636-P653 WeakPolarHBondContact O-CD 3.11Å
654	T	98.7	Very high	97.6	Very high	17 Å²	17	46.5 Å²	46.5	10%	0.104	26%	0.264	C	S	.	.			trans	-137.5	141.1	-173.5	-57	0	0	0	0	110.4	Y309 P650 H652 L656	Y309-T654 HydrophobicContact CE2-CG2 4.06Å; P650-T654 HydrophobicContact CG-CG2 4.31Å; H652-T654 PolarHBondContact CE1-OG1 2.9Å; H652-T654 VanDerWaalsContact CE1-OG1 3.24Å; H652-T654 PolarHBondContact ND1-OG1 3.36Å; H652-T654 PolarHBondContact O-N 3.44Å; H652-T654 PolarHBondContact O-OG1 2.95Å; T654-L656 HydrophobicContact CG2-CD2 4.08Å; T654-L656 HydrophobicContact CG2-CG 4.45Å; T654-L656 PolarHBondContact O-N 3.46Å
655	W	98.5	Very high	97.6	Very high	36 Å²	36	44.5 Å²	44.5	14%	0.136	26%	0.259	C	S	.	.			trans	-76.4	114.6	169.3	169.4	-107.2	0	0	0	108.6	G272 T273 V275 A276 L279 Y309 W323 I327 W661	G272-W655 VanDerWaalsContact O-CZ3 3.26Å; G272-W655 WeakPolarHBondContact O-CZ3 3.21Å; T273-W655 HydrophobicContact CG2-CH2 3.93Å; V275-W655 HydrophobicContact CB-CE3 4.13Å; V275-W655 HydrophobicContact CG1-CB 4.28Å; V275-W655 HydrophobicContact CG1-CE3 4.42Å; A276-W655 HydrophobicContact CB-CD2 4.06Å; A276-W655 HydrophobicContact CB-CE3 3.91Å; A276-W655 HydrophobicContact CB-CZ3 4.3Å; L279-W655 HydrophobicContact CD1-CB 3.89Å; Y309-W655 WeakPolarHBondContact OH-CB 3.45Å; Y309-W655 PolarHBondContact OH-N 3.1Å; W323-W655 HydrophobicContact CH2-CB 3.97Å; W323-W655 HydrophobicContact CH2-CG 4.05Å; W323-W655 HydrophobicContact CZ2-CB 4.13Å; W323-W655 AromaticContact CZ2-CD1 3.77Å; W323-W655 AromaticContact CZ2-CG 3.94Å; W323-W655 HydrophobicContact CZ2-CG 3.94Å; I327-W655 HydrophobicContact CG2-CH2 3.94Å; I327-W655 HydrophobicContact CG2-CZ2 3.53Å; W655-W661 HydrophobicContact CZ2-CZ3 4.5Å
656	L	98	Very high	97.5	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.199	25%	0.246	C	C	.	.			trans	-116.3	125.4	172	-60	175.7	0	0	0	107.4	Y360 T654 P658	Y360-L656 HydrophobicContact CD1-CB 4.39Å; Y360-L656 HydrophobicContact CD1-CD1 3.75Å; Y360-L656 HydrophobicContact CD2-CB 3.44Å; Y360-L656 VanDerWaalsContact CD2-CB 3.44Å; Y360-L656 HydrophobicContact CD2-CD1 4.3Å; Y360-L656 HydrophobicContact CE1-CD1 4.16Å; Y360-L656 HydrophobicContact CE2-CB 3.69Å; Y360-L656 HydrophobicContact CG-CB 3.82Å; Y360-L656 HydrophobicContact CG-CD1 3.82Å; Y360-L656 HydrophobicContact CG-CG 4.47Å; T654-L656 HydrophobicContact CG2-CD2 4.08Å; T654-L656 HydrophobicContact CG2-CG 4.45Å; T654-L656 PolarHBondContact O-N 3.46Å; L656-P658 WeakPolarHBondContact O-CD 3.47Å
657	A	97.2	Very high	97.3	Very high	49 Å²	49	52 Å²	52	41%	0.405	28%	0.281	S	S	.	.			trans	-69.9	121.6	178.3	0	0	0	0	0	109.6	Y360 W661	Y360-A657 WeakPolarHBondContact CE2-O 3.29Å; A657-W661 HydrophobicContact CB-CZ2 4.35Å
658	P	97.2	Very high	97.3	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.065	27%	0.27	C	S	.	.			trans	-62	161.4	173.6	-21	33.9	0	0	0	111.9	Q359 L656 W661	Q359-P658 HydrophobicContact CB-CB 4.37Å; L656-P658 WeakPolarHBondContact O-CD 3.47Å; P658-W661 HydrophobicContact CB-CB 4.33Å; P658-W661 HydrophobicContact CG-CB 4.41Å; P658-W661 PolarHBondContact O-NE1 3.24Å
659	D	96.5	Very high	97.4	Very high	97 Å²	97	49.7 Å²	49.7	52%	0.519	27%	0.27	S	S	.	.	S	Bend	trans	-69.8	-39.3	177.1	-62.1	-30	0	0	0	111.3	Q359 T664	Q359-D659 PolarHBondContact NE2-OD2 3.11Å; Q359-D659 PolarHBondContact OE1-OD2 3.43Å; D659-T664 WeakPolarHBondContact O-CB 3.42Å; D659-T664 PolarHBondContact O-OG1 2.88Å
660	E	96.7	Very high	97.4	Very high	38 Å²	38	49.7 Å²	49.7	18%	0.178	27%	0.269	C	S	.	.	S	Bend	trans	-116.7	93.7	-179.2	-72.8	-169.5	-173.1	0	0	110.9	R726 S784 A785 L786	E660-R726 IonicContact OE1-CZ 3.56Å; E660-R726 IonicContact OE1-NH1 3.77Å; E660-R726 PolarHBondContact OE1-NH1 3Å; E660-R726 IonicContact OE1-NH2 3.93Å; E660-R726 PolarHBondContact OE1-NH2 3.12Å; E660-R726 IonicContact OE2-CZ 3.41Å; E660-R726 IonicContact OE2-NH1 3.47Å; E660-R726 IonicContact OE2-NH2 2.82Å; E660-R726 PolarHBondContact OE2-NH2 3.28Å; E660-S784 PolarHBondContact O-OG 2.86Å; E660-A785 VanDerWaalsContact OE2-CA 3.29Å; E660-A785 WeakPolarHBondContact OE2-CA 3.39Å; E660-L786 HydrophobicContact CB-CD1 4.24Å; E660-L786 HydrophobicContact CB-CG 4Å; E660-L786 HydrophobicContact CG-CD1 4.36Å; E660-L786 HydrophobicContact CG-CG 4.38Å; E660-L786 PolarHBondContact OE2-N 3.49Å; E660-L786 VanDerWaalsContact OE2-N 3.1Å
661	W	96.5	Very high	97.4	Very high	36 Å²	36	48.3 Å²	48.3	14%	0.136	26%	0.26	C	S	.	.	S	Bend	trans	-151.1	179.2	177.5	74.8	-64.2	0	0	0	111.7	T273 I327 W655 A657 P658 G663 T664 A665	T273-W661 HydrophobicContact CG2-CE3 4.03Å; T273-W661 HydrophobicContact CG2-CZ3 4.2Å; I327-W661 HydrophobicContact CG2-CH2 4.3Å; I327-W661 HydrophobicContact CG2-CZ3 3.97Å; W655-W661 HydrophobicContact CZ2-CZ3 4.5Å; A657-W661 HydrophobicContact CB-CZ2 4.35Å; P658-W661 HydrophobicContact CB-CB 4.33Å; P658-W661 HydrophobicContact CG-CB 4.41Å; P658-W661 PolarHBondContact O-NE1 3.24Å; W661-G663 VanDerWaalsContact CD2-N 3.27Å; W661-G663 VanDerWaalsContact CE3-N 3.35Å; W661-G663 PolarHBondContact O-N 3.33Å; W661-G663 VanDerWaalsContact O-N 3.12Å; W661-T664 PolarHBondContact N-OG1 2.87Å; W661-T664 VanDerWaalsContact N-OG1 3.15Å; W661-T664 PolarHBondContact O-N 3.29Å; W661-T664 PolarHBondContact O-OG1 3.17Å; W661-A665 PolarHBondContact O-N 3.48Å; W661-A665 VanDerWaalsContact O-N 3.07Å
662	K	97	Very high	97.4	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.1	-176.9	178.7	59.8	-166.4	126.4	0	114.2	N270 T664 A665	N270-K662 HydrophobicContact CB-CB 4.26Å; K662-T664 VanDerWaalsContact C-N 3.35Å; K662-A665 PolarHBondContact O-N 2.93Å
663	G	96.3	Very high	97.3	Very high	53 Å²	53	47.3 Å²	47.3	55%	0.546	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.5	-179.2	0	0	0	0	0	115	W661	W661-G663 VanDerWaalsContact CD2-N 3.27Å; W661-G663 VanDerWaalsContact CE3-N 3.35Å; W661-G663 PolarHBondContact O-N 3.33Å; W661-G663 VanDerWaalsContact O-N 3.12Å
664	T	97.2	Very high	97.3	Very high	74 Å²	74	47.4 Å²	47.4	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-4.7	172.8	53.6	0	0	0	0	113.1	D659 W661 K662	D659-T664 WeakPolarHBondContact O-CB 3.42Å; D659-T664 PolarHBondContact O-OG1 2.88Å; W661-T664 PolarHBondContact N-OG1 2.87Å; W661-T664 VanDerWaalsContact N-OG1 3.15Å; W661-T664 PolarHBondContact O-N 3.29Å; W661-T664 PolarHBondContact O-OG1 3.17Å; K662-T664 VanDerWaalsContact C-N 3.35Å
665	A	97.3	Very high	97.2	Very high	19 Å²	19	47.9 Å²	47.9	16%	0.157	26%	0.26	C	S	.	.			trans	-72.9	133.7	177.8	0	0	0	0	0	111.9	W661 K662 Q669 L786	W661-A665 PolarHBondContact O-N 3.48Å; W661-A665 VanDerWaalsContact O-N 3.07Å; K662-A665 PolarHBondContact O-N 2.93Å; A665-Q669 HydrophobicContact CB-CB 4.05Å; A665-L786 HydrophobicContact CB-CD1 4Å; A665-L786 HydrophobicContact CB-CD2 3.68Å; A665-L786 HydrophobicContact CB-CG 4.47Å
666	D	95.7	Very high	97.1	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	26%	0.264	S	S	.	.			trans	-68.3	170.2	164.2	75.8	47.3	0	0	0	111.5	K668 Q669 Y788	D666-K668 PolarHBondContact O-N 3.23Å; D666-K668 VanDerWaalsContact O-N 3.16Å; D666-K668 WeakPolarHBondContact OD1-CA 3.13Å; D666-K668 WeakPolarHBondContact OD1-CB 3.11Å; D666-K668 PolarHBondContact OD1-N 2.91Å; D666-Q669 PolarHBondContact O-N 2.74Å; D666-Q669 WeakPolarHBondContact OD1-CG 3.34Å; D666-Q669 PolarHBondContact OD1-N 3.33Å; D666-Y788 WeakPolarHBondContact OD2-CE1 3.45Å; D666-Y788 PolarHBondContact OD2-OH 2.56Å
667	E	93.9	Very high	97.1	Very high	173 Å²	173	46.8 Å²	46.8	81%	0.808	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.7	-175.6	-64.1	-175.4	167.3	0	0	114.3	R711	E667-R711 PolarHBondContact O-NH1 2.9Å
668	K	96.9	Very high	97	Very high	142 Å²	142	45.5 Å²	45.5	62%	0.617	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-12.2	-178.3	-63.1	-177.9	-179.2	179.5	0	112.7	D666 F712 Y788	D666-K668 PolarHBondContact O-N 3.23Å; D666-K668 VanDerWaalsContact O-N 3.16Å; D666-K668 WeakPolarHBondContact OD1-CA 3.13Å; D666-K668 WeakPolarHBondContact OD1-CB 3.11Å; D666-K668 PolarHBondContact OD1-N 2.91Å; K668-F712 WeakPolarHBondContact O-CZ 3.37Å; K668-Y788 HydrophobicContact CB-CD1 4.02Å; K668-Y788 HydrophobicContact CB-CE1 3.99Å
669	Q	98.3	Very high	96.9	Very high	36 Å²	36	47.5 Å²	47.5	17%	0.168	25%	0.254	C	S	.	.			trans	-79.4	146.8	177.6	-76	176.4	-26.1	0	0	112.2	A665 D666 V787 Y788	A665-Q669 HydrophobicContact CB-CB 4.05Å; D666-Q669 PolarHBondContact O-N 2.74Å; D666-Q669 WeakPolarHBondContact OD1-CG 3.34Å; D666-Q669 PolarHBondContact OD1-N 3.33Å; Q669-V787 WeakPolarHBondContact CA-O 3.13Å; Q669-Y788 HydrophobicContact CG-CD1 4.02Å; Q669-Y788 HydrophobicContact CG-CE1 3.46Å; Q669-Y788 VanDerWaalsContact CG-CE1 3.46Å; Q669-Y788 HydrophobicContact CG-CE2 4.1Å; Q669-Y788 PolarHBondContact NE2-OH 3.02Å; Q669-Y788 VanDerWaalsContact NE2-OH 3.13Å
670	L	98.6	Very high	97	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.1	172.4	-60.6	174.4	0	0	0	109.2	R711 F712 G742 V744 L786 V787 I789	L670-R711 VanDerWaalsContact CD2-NH2 3.26Å; L670-F712 HydrophobicContact CD1-CD2 4.4Å; L670-F712 HydrophobicContact CD1-CE2 3.83Å; L670-F712 HydrophobicContact CD2-CE2 4.3Å; L670-F712 HydrophobicContact CG-CE2 4.19Å; L670-G742 WeakPolarHBondContact CA-O 3.46Å; L670-V744 HydrophobicContact CB-CG1 4.34Å; L670-V744 HydrophobicContact CB-CG2 4.28Å; L670-V744 HydrophobicContact CD1-CG1 3.54Å; L670-L786 WeakPolarHBondContact O-CA 3.12Å; L670-V787 HydrophobicContact CB-CG2 4.37Å; L670-V787 PolarHBondContact N-O 3.24Å; L670-V787 PolarHBondContact O-N 2.9Å; L670-I789 HydrophobicContact CD1-CD1 3.49Å; L670-I789 VanDerWaalsContact CD1-CD1 3.49Å; L670-I789 HydrophobicContact CD1-CG1 3.79Å; L670-I789 HydrophobicContact CD1-CG2 4.34Å
671	Q	98.4	Very high	97	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.9	170.2	-60.5	-174.3	-91.3	0	0	109.7	M271 G742 V743 V744 A785 L786	M271-Q671 PolarHBondContact O-NE2 2.86Å; M271-Q671 VanDerWaalsContact O-NE2 3.09Å; M271-Q671 HydrophobicContact SD-CB 3.92Å; Q671-G742 PolarHBondContact N-O 2.97Å; Q671-V743 HydrophobicContact CB-CG2 4.34Å; Q671-V743 CarbonylContact O-C 3.53Å; Q671-V743 WeakPolarHBondContact O-CA 3.23Å; Q671-V744 PolarHBondContact O-N 2.73Å; Q671-A785 CarbonylContact C-O 3.49Å; Q671-A785 WeakPolarHBondContact CA-O 3.28Å; Q671-L786 HydrophobicContact CG-CD2 3.9Å
672	L	98.6	Very high	97.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.2	177.1	175.8	65.4	0	0	0	111.2	M271 T674 V744 V746 L767 A785 V787	M271-L672 WeakPolarHBondContact CE-O 3.39Å; L672-T674 HydrophobicContact CD2-CG2 4.13Å; L672-T674 HydrophobicContact CG-CG2 4.02Å; L672-V744 HydrophobicContact CB-CG2 4.47Å; L672-V744 HydrophobicContact CD1-CG2 4.05Å; L672-V746 HydrophobicContact CD1-CB 4.03Å; L672-V746 HydrophobicContact CD1-CG2 3.83Å; L672-L767 HydrophobicContact CD2-CB 3.92Å; L672-L767 HydrophobicContact CD2-CD1 3.85Å; L672-A785 HydrophobicContact CB-CB 4.24Å; L672-A785 HydrophobicContact CD2-CB 4.43Å; L672-A785 PolarHBondContact N-O 2.95Å; L672-V787 HydrophobicContact CB-CG1 4Å; L672-V787 HydrophobicContact CB-CG2 4.12Å; L672-V787 HydrophobicContact CD2-CG1 4.06Å
673	L	98.1	Very high	97.1	Very high	18 Å²	18	38.1 Å²	38.1	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.8	167	-180	63.2	0	0	0	110.9	P251 I252 M271 A675 V743 V744 C745 V746	P251-L673 HydrophobicContact CG-CD2 4.17Å; I252-L673 HydrophobicContact CB-CD2 4.28Å; I252-L673 HydrophobicContact CG2-CD2 3.87Å; M271-L673 HydrophobicContact CE-CB 3.94Å; M271-L673 HydrophobicContact CE-CD1 3.84Å; M271-L673 HydrophobicContact SD-CB 3.78Å; M271-L673 HydrophobicContact SD-CD1 4.44Å; L673-A675 HydrophobicContact CD2-CB 4.39Å; L673-A675 HydrophobicContact CG-CB 4.23Å; L673-V743 HydrophobicContact CB-CG1 4.32Å; L673-V744 PolarHBondContact N-O 3.01Å; L673-C745 HydrophobicContact CB-CB 4.18Å; L673-C745 HydrophobicContact CD2-CB 4.3Å; L673-C745 HydrophobicContact CG-CB 4.5Å; L673-C745 WeakPolarHBondContact O-CA 3.49Å; L673-V746 PolarHBondContact O-N 3.12Å
674	T	97.4	Very high	97.2	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	20%	0.196	C	C	.	.			trans	-119.2	51.6	-178.3	52.5	0	0	0	0	112.3	L672 V746 A764 T768 G782 N783	L672-T674 HydrophobicContact CD2-CG2 4.13Å; L672-T674 HydrophobicContact CG-CG2 4.02Å; T674-V746 WeakPolarHBondContact CA-O 3.36Å; T674-A764 HydrophobicContact CG2-CB 3.68Å; T674-T768 HydrophobicContact CG2-CG2 4.03Å; T674-G782 PolarHBondContact OG1-O 2.98Å; T674-N783 WeakPolarHBondContact OG1-CA 3.46Å; T674-N783 PolarHBondContact OG1-OD1 2.82Å
675	A	96.6	Very high	97.2	Very high	26 Å²	26	34.4 Å²	34.4	22%	0.215	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-62.9	157.9	-176.6	0	0	0	0	0	113.3	L673 H747 E748	L673-A675 HydrophobicContact CD2-CB 4.39Å; L673-A675 HydrophobicContact CG-CB 4.23Å; A675-H747 VanDerWaalsContact O-CA 3.22Å; A675-H747 WeakPolarHBondContact O-CA 3.46Å; A675-H747 WeakPolarHBondContact O-CB 3.46Å; A675-H747 PolarHBondContact O-ND1 2.65Å; A675-H747 VanDerWaalsContact O-ND1 3.15Å; A675-E748 PolarHBondContact O-N 3.13Å; A675-E748 VanDerWaalsContact O-N 3.08Å
676	H	97.6	Very high	97.3	Very high	47 Å²	47	33.5 Å²	33.5	22%	0.218	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-64.1	143.6	175.6	-72.8	-72.1	0	0	0	112.1	N219 R357 H682 H747 E748	N219-H676 PolarHBondContact ND2-O 3.03Å; R357-H676 PolarHBondContact NH1-NE2 3.4Å; R357-H676 PolarHBondContact NH2-CD2 3.32Å; R357-H676 VanDerWaalsContact NH2-CD2 3.28Å; R357-H676 PolarHBondContact NH2-NE2 3.21Å; H676-H682 AromaticContact CE1-CE1 3.29Å; H676-H682 PolarHBondContact CE1-CE1 2.88Å; H676-H682 AromaticContact CE1-ND1 3.57Å; H676-H682 AromaticContact ND1-CE1 3.36Å; H676-H682 PolarHBondContact ND1-CE1 3.4Å; H676-H682 AromaticContact ND1-ND1 3.37Å; H676-H682 PolarHBondContact ND1-ND1 2.79Å; H676-H747 PolarHBondContact O-ND1 2.94Å; H676-H747 VanDerWaalsContact O-ND1 3.09Å; H676-E748 IonicContact CE1-OE1 2.62Å; H676-E748 PolarHBondContact CE1-OE1 3.06Å; H676-E748 IonicContact CG-OE1 3.22Å; H676-E748 IonicContact ND1-OE1 2.77Å; H676-E748 PolarHBondContact ND1-OE1 3.37Å
677	P	96.9	Very high	97.3	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.032	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-80	144.9	-176.6	31.7	-36.4	0	0	0	114.1	N219 R680 H747 E748	N219-P677 PolarHBondContact OD1-O 3.46Å; P677-R680 HydrophobicContact CB-CB 4.17Å; P677-R680 VanDerWaalsContact CB-NH2 3.31Å; P677-R680 HydrophobicContact CG-CB 3.76Å; P677-H747 HydrophobicContact CB-CB 4.08Å; P677-E748 VanDerWaalsContact CD-OE1 3.29Å; P677-E748 WeakPolarHBondContact CD-OE1 3.24Å
678	A	94.6	Very high	97.4	Very high	22 Å²	22	23.6 Å²	23.6	18%	0.182	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-20.7	-176.8	0	0	0	0	0	116.1	N219 K222	N219-A678 VanDerWaalsContact OD1-CA 3.32Å; N219-A678 WeakPolarHBondContact OD1-CA 3.38Å; K222-A678 PolarHBondContact NZ-O 3.27Å
679	H	96.5	Very high	97.4	Very high	52 Å²	52	21.9 Å²	21.9	24%	0.241	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	18.1	-174	-63.5	-55.5	0	0	0	113.2	S70 L71 Y694	S70-H679 PolarHBondContact OG-ND1 3.27Å; L71-H679 VanDerWaalsContact CD2-C 3.41Å; L71-H679 WeakPolarHBondContact CD2-O 3.15Å; H679-Y694 HydrophobicContact CB-CD1 3.9Å; H679-Y694 HydrophobicContact CB-CE1 4.13Å
680	R	97.7	Very high	97.3	Very high	8 Å²	8	20.4 Å²	20.4	3%	0.03	11%	0.105	C	C	.	.	S	Bend	trans	-143.1	163	175.7	-64.4	-174.7	-56.4	-93.4	5.9	109.3	P677 H682 Q684 Y694 E700 E748	P677-R680 HydrophobicContact CB-CB 4.17Å; P677-R680 VanDerWaalsContact CB-NH2 3.31Å; P677-R680 HydrophobicContact CG-CB 3.76Å; R680-H682 WeakPolarHBondContact CB-O 3.49Å; R680-H682 PolarHBondContact NE-O 2.97Å; R680-Q684 VanDerWaalsContact CB-O 3.31Å; R680-Q684 WeakPolarHBondContact CB-O 3.41Å; R680-Y694 PolarHBondContact NH1-OH 2.94Å; R680-E700 IonicContact CZ-OE1 3.45Å; R680-E700 IonicContact CZ-OE2 3.75Å; R680-E700 IonicContact NH1-OE1 2.74Å; R680-E700 PolarHBondContact NH1-OE1 3.44Å; R680-E700 IonicContact NH1-OE2 3.46Å; R680-E700 PolarHBondContact NH1-OE2 2.91Å; R680-E700 VanDerWaalsContact NH2-CD 3.33Å; R680-E700 IonicContact NH2-OE1 2.76Å; R680-E700 PolarHBondContact NH2-OE1 3.47Å; R680-E700 IonicContact NH2-OE2 3.77Å; R680-E700 PolarHBondContact NH2-OE2 3.39Å; R680-E748 PolarHBondContact NH2-O 3.09Å
681	L	98	Very high	97.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-104	98.2	159.5	171	59.9	0	0	0	107.2	R43 W145 I223 S683 Q684	R43-L681 HydrophobicContact CB-CD2 3.84Å; R43-L681 HydrophobicContact CG-CD2 3.81Å; W145-L681 HydrophobicContact CD2-CD1 3.93Å; W145-L681 HydrophobicContact CD2-CD2 4.37Å; W145-L681 HydrophobicContact CD2-CG 4.5Å; W145-L681 HydrophobicContact CE3-CD1 3.66Å; W145-L681 HydrophobicContact CE3-CD2 3.73Å; W145-L681 HydrophobicContact CE3-CG 4.21Å; W145-L681 HydrophobicContact CH2-CD1 4.36Å; W145-L681 HydrophobicContact CZ3-CD1 3.89Å; W145-L681 HydrophobicContact CZ3-CD2 4.37Å; I223-L681 HydrophobicContact CB-CD1 4.46Å; I223-L681 HydrophobicContact CD1-CD1 4.29Å; I223-L681 HydrophobicContact CG1-CD1 4.22Å; I223-L681 HydrophobicContact CG2-CD1 4.34Å; L681-S683 PolarHBondContact O-N 2.83Å; L681-S683 VanDerWaalsContact O-N 3.15Å; L681-Q684 HydrophobicContact CB-CB 4.29Å; L681-Q684 PolarHBondContact N-O 2.92Å; L681-Q684 VanDerWaalsContact O-CB 3.26Å; L681-Q684 WeakPolarHBondContact O-CB 3.25Å; L681-Q684 WeakPolarHBondContact O-CG 3.44Å; L681-Q684 PolarHBondContact O-N 3.22Å
682	H	97.8	Very high	97.1	Very high	36 Å²	36	28.6 Å²	28.6	17%	0.167	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-118.8	-171.1	-49.8	-57.4	0	0	0	110.9	W145 H676 R680 E748 G749	W145-H682 AromaticContact CD1-CD2 3.44Å; W145-H682 VanDerWaalsContact CD1-CD2 3.44Å; W145-H682 AromaticContact CD1-NE2 3.28Å; W145-H682 VanDerWaalsContact CD1-NE2 3.28Å; W145-H682 AromaticContact CD2-CD2 3.96Å; W145-H682 AromaticContact CD2-NE2 3.62Å; W145-H682 AromaticContact CE2-CD2 3.95Å; W145-H682 AromaticContact CE2-NE2 3.15Å; W145-H682 AromaticContact CG-CD2 3.61Å; W145-H682 AromaticContact CG-NE2 3.67Å; W145-H682 AromaticContact CZ2-NE2 3.74Å; W145-H682 AromaticContact NE1-CD2 3.65Å; W145-H682 AromaticContact NE1-CE1 3.95Å; W145-H682 AromaticContact NE1-NE2 2.95Å; W145-H682 PolarHBondContact NE1-NE2 3.31Å; H676-H682 AromaticContact CE1-CE1 3.29Å; H676-H682 PolarHBondContact CE1-CE1 2.88Å; H676-H682 AromaticContact CE1-ND1 3.57Å; H676-H682 AromaticContact ND1-CE1 3.36Å; H676-H682 PolarHBondContact ND1-CE1 3.4Å; H676-H682 AromaticContact ND1-ND1 3.37Å; H676-H682 PolarHBondContact ND1-ND1 2.79Å; R680-H682 WeakPolarHBondContact CB-O 3.49Å; R680-H682 PolarHBondContact NE-O 2.97Å; H682-E748 WeakPolarHBondContact CA-OE1 3.48Å; H682-E748 IonicContact CE1-OE1 3.71Å; H682-E748 IonicContact CG-OE1 3.7Å; H682-E748 IonicContact ND1-OE1 2.67Å; H682-E748 PolarHBondContact ND1-OE1 3.02Å; H682-E748 IonicContact ND1-OE2 3.84Å; H682-G749 WeakPolarHBondContact O-CA 3.49Å
683	S	97.8	Very high	97	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.119	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.8	175	69.8	0	0	0	0	114.9	L681 L685 N686 G749 W751	L681-S683 PolarHBondContact O-N 2.83Å; L681-S683 VanDerWaalsContact O-N 3.15Å; S683-L685 PolarHBondContact O-N 3.35Å; S683-N686 WeakPolarHBondContact O-CB 3.24Å; S683-N686 PolarHBondContact O-N 3.34Å; S683-G749 WeakPolarHBondContact CA-O 3.46Å; S683-G749 WeakPolarHBondContact CB-O 3.29Å; S683-W751 PolarHBondContact O-NE1 3.25Å
684	Q	97.8	Very high	96.9	Very high	47 Å²	47	35.9 Å²	35.9	22%	0.22	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-64	140.1	177.8	-55.2	-174	27.7	0	0	109.3	R146 R680 L681 N686	R146-Q684 PolarHBondContact O-NE2 3.46Å; R680-Q684 VanDerWaalsContact CB-O 3.31Å; R680-Q684 WeakPolarHBondContact CB-O 3.41Å; L681-Q684 HydrophobicContact CB-CB 4.29Å; L681-Q684 PolarHBondContact N-O 2.92Å; L681-Q684 VanDerWaalsContact O-CB 3.26Å; L681-Q684 WeakPolarHBondContact O-CB 3.25Å; L681-Q684 WeakPolarHBondContact O-CG 3.44Å; L681-Q684 PolarHBondContact O-N 3.22Å; Q684-N686 VanDerWaalsContact C-N 3.25Å; Q684-N686 PolarHBondContact O-N 3.43Å
685	L	97.7	Very high	97	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	13	-179.5	-44.7	171.6	0	0	0	114.7	L71 T74 Q78 S683 Y687 A688	L71-L685 HydrophobicContact CD2-CD1 3.93Å; T74-L685 HydrophobicContact CG2-CD1 4.1Å; T74-L685 HydrophobicContact CG2-CD2 4.45Å; Q78-L685 HydrophobicContact CG-CD2 3.51Å; S683-L685 PolarHBondContact O-N 3.35Å; L685-Y687 PolarHBondContact O-N 3.12Å; L685-A688 HydrophobicContact CB-CB 3.85Å; L685-A688 HydrophobicContact CD2-CB 4.41Å; L685-A688 VanDerWaalsContact O-CB 3.24Å; L685-A688 WeakPolarHBondContact O-CB 3.37Å; L685-A688 PolarHBondContact O-N 2.79Å
686	N	97.6	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26	175.1	-167.2	-149	0	0	0	113	S683 Q684 R691 Y694 A750 W751 N761 F802	S683-N686 WeakPolarHBondContact O-CB 3.24Å; S683-N686 PolarHBondContact O-N 3.34Å; Q684-N686 VanDerWaalsContact C-N 3.25Å; Q684-N686 PolarHBondContact O-N 3.43Å; N686-R691 WeakPolarHBondContact O-CD 3.43Å; N686-Y694 PolarHBondContact ND2-OH 2.95Å; N686-A750 WeakPolarHBondContact OD1-CA 3.47Å; N686-W751 HydrophobicContact CB-CG 4.25Å; N686-W751 PolarHBondContact OD1-N 2.96Å; N686-N761 PolarHBondContact OD1-ND2 3.3Å; N686-F802 HydrophobicContact CB-CE1 4.15Å; N686-F802 WeakPolarHBondContact O-CZ 3.46Å
687	Y	96.3	Very high	97	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.11	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.6	171.8	57.9	-104.8	0	0	0	113.7	D77 Q78 T81 A83 Y491 L685 W751	D77-Y687 HydrophobicContact CB-CE2 4.37Å; D77-Y687 WeakPolarHBondContact O-CE2 3.43Å; Q78-Y687 WeakPolarHBondContact CG-OH 3.2Å; T81-Y687 HydrophobicContact CG2-CD2 3.82Å; T81-Y687 HydrophobicContact CG2-CE1 4.41Å; T81-Y687 HydrophobicContact CG2-CE2 3.62Å; T81-Y687 HydrophobicContact CG2-CG 4.35Å; T81-Y687 VanDerWaalsContact OG1-CD2 3.31Å; T81-Y687 WeakPolarHBondContact OG1-CD2 3.47Å; A83-Y687 HydrophobicContact CB-CD1 4.41Å; Y491-Y687 AromaticContact CD1-CE1 3.88Å; Y491-Y687 HydrophobicContact CD1-CE1 3.88Å; Y491-Y687 AromaticContact CD2-CE1 3.94Å; Y491-Y687 HydrophobicContact CD2-CE1 3.94Å; Y491-Y687 HydrophobicContact CE1-CE1 4.01Å; Y491-Y687 AromaticContact CE1-CZ 3.73Å; Y491-Y687 WeakPolarHBondContact CE1-OH 3.45Å; Y491-Y687 HydrophobicContact CE2-CE1 4.05Å; Y491-Y687 WeakPolarHBondContact CE2-OH 3.35Å; Y491-Y687 AromaticContact CG-CE1 3.86Å; Y491-Y687 HydrophobicContact CG-CE1 3.86Å; Y491-Y687 AromaticContact CZ-CZ 3.77Å; Y491-Y687 PolarHBondContact OH-OH 2.92Å; L685-Y687 PolarHBondContact O-N 3.12Å; Y687-W751 AromaticContact CD1-CH2 3.8Å; Y687-W751 HydrophobicContact CD1-CH2 3.8Å; Y687-W751 AromaticContact CD1-CZ2 3.7Å; Y687-W751 HydrophobicContact CD1-CZ2 3.7Å; Y687-W751 HydrophobicContact CE1-CH2 4.3Å; Y687-W751 HydrophobicContact CE1-CZ2 4.06Å
688	A	97.2	Very high	97	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	21%	0.206	C	C	.	.	S	Bend	trans	-72.2	159	-169	0	0	0	0	0	111.5	D77 L685 L690 R691	D77-A688 HydrophobicContact CB-CB 3.73Å; L685-A688 HydrophobicContact CB-CB 3.85Å; L685-A688 HydrophobicContact CD2-CB 4.41Å; L685-A688 VanDerWaalsContact O-CB 3.24Å; L685-A688 WeakPolarHBondContact O-CB 3.37Å; L685-A688 PolarHBondContact O-N 2.79Å; A688-L690 PolarHBondContact O-N 3.06Å; A688-R691 WeakPolarHBondContact O-CB 3.47Å; A688-R691 PolarHBondContact O-N 3.48Å
689	E	95.9	Very high	97.2	Very high	106 Å²	106	40.8 Å²	40.8	50%	0.495	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-55.2	-25.2	176.7	-77.5	-73.3	129	0	0	113.4	D77 R691 K692	D77-E689 VanDerWaalsContact OD1-CG 3.28Å; D77-E689 WeakPolarHBondContact OD1-CG 3.47Å; D77-E689 PolarHBondContact OD1-N 3.24Å; E689-R691 PolarHBondContact O-N 3.07Å; E689-K692 WeakPolarHBondContact O-CB 3.41Å; E689-K692 PolarHBondContact O-N 3.32Å; E689-K692 VanDerWaalsContact OE1-CE 3.25Å; E689-K692 WeakPolarHBondContact OE1-CE 3.28Å; E689-K692 IonicContact OE1-NZ 3.71Å; E689-K692 PolarHBondContact OE1-NZ 2.97Å; E689-K692 WeakPolarHBondContact OE2-CD 3.35Å; E689-K692 WeakPolarHBondContact OE2-CE 3.4Å; E689-K692 IonicContact OE2-NZ 2.69Å; E689-K692 PolarHBondContact OE2-NZ 2.89Å
690	L	96.5	Very high	97.3	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-52.8	-26.2	170.4	-74.5	-176.6	0	0	0	113.6	L71 T74 A688 K692 K693 Y694	L71-L690 HydrophobicContact CD2-CD1 4.02Å; T74-L690 HydrophobicContact CG2-CD1 3.38Å; T74-L690 HydrophobicContact CG2-CG 3.73Å; A688-L690 PolarHBondContact O-N 3.06Å; L690-K692 PolarHBondContact O-N 3.35Å; L690-K693 HydrophobicContact CD2-CD 4.03Å; L690-K693 WeakPolarHBondContact O-CB 3.38Å; L690-K693 PolarHBondContact O-N 2.96Å; L690-Y694 WeakPolarHBondContact O-CD1 3.35Å
691	R	97.2	Very high	97.3	Very high	22 Å²	22	38.7 Å²	38.7	8%	0.083	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-53.9	-34.7	174.2	-174.2	173.4	-170.1	-84.3	6	113	N686 A688 E689 K693 Y694 A695 D698 N761	N686-R691 WeakPolarHBondContact O-CD 3.43Å; A688-R691 WeakPolarHBondContact O-CB 3.47Å; A688-R691 PolarHBondContact O-N 3.48Å; E689-R691 PolarHBondContact O-N 3.07Å; R691-K693 PolarHBondContact O-N 2.92Å; R691-K693 VanDerWaalsContact O-N 3.11Å; R691-Y694 HydrophobicContact CB-CE1 4.24Å; R691-Y694 HydrophobicContact CG-CE1 4.48Å; R691-Y694 HydrophobicContact CG-CE2 4.2Å; R691-Y694 PolarHBondContact O-N 2.65Å; R691-A695 HydrophobicContact CG-CB 3.82Å; R691-A695 WeakPolarHBondContact O-CB 3.18Å; R691-A695 PolarHBondContact O-N 3.42Å; R691-D698 IonicContact CZ-OD1 2.73Å; R691-D698 IonicContact NH1-OD1 2.72Å; R691-D698 PolarHBondContact NH1-OD1 2.98Å; R691-D698 VanDerWaalsContact NH2-C 3.27Å; R691-D698 PolarHBondContact NH2-O 3.14Å; R691-D698 IonicContact NH2-OD1 3.05Å; R691-N761 PolarHBondContact NH2-OD1 2.67Å; R691-N761 VanDerWaalsContact NH2-OD1 3.11Å
692	K	96.2	Very high	97.4	Very high	153 Å²	153	38.5 Å²	38.5	67%	0.665	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-62.6	-17.4	178.1	-63.2	179.9	-177.7	169	0	113.4	E689 L690	E689-K692 WeakPolarHBondContact O-CB 3.41Å; E689-K692 PolarHBondContact O-N 3.32Å; E689-K692 VanDerWaalsContact OE1-CE 3.25Å; E689-K692 WeakPolarHBondContact OE1-CE 3.28Å; E689-K692 IonicContact OE1-NZ 3.71Å; E689-K692 PolarHBondContact OE1-NZ 2.97Å; E689-K692 WeakPolarHBondContact OE2-CD 3.35Å; E689-K692 WeakPolarHBondContact OE2-CE 3.4Å; E689-K692 IonicContact OE2-NZ 2.69Å; E689-K692 PolarHBondContact OE2-NZ 2.89Å; L690-K692 PolarHBondContact O-N 3.35Å
693	K	95.7	Very high	97.4	Very high	139 Å²	139	37.7 Å²	37.7	60%	0.604	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-80.5	-24.7	178	-63.7	-171.9	175.4	-178.9	0	114	L690 R691	L690-K693 HydrophobicContact CD2-CD 4.03Å; L690-K693 WeakPolarHBondContact O-CB 3.38Å; L690-K693 PolarHBondContact O-N 2.96Å; R691-K693 PolarHBondContact O-N 2.92Å; R691-K693 VanDerWaalsContact O-N 3.11Å
694	Y	96.8	Very high	97.5	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.122	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-21.2	-169.6	69.9	-103.5	0	0	0	114.4	H679 R680 N686 L690 R691 V696 E700 P701	H679-Y694 HydrophobicContact CB-CD1 3.9Å; H679-Y694 HydrophobicContact CB-CE1 4.13Å; R680-Y694 PolarHBondContact NH1-OH 2.94Å; N686-Y694 PolarHBondContact ND2-OH 2.95Å; L690-Y694 WeakPolarHBondContact O-CD1 3.35Å; R691-Y694 HydrophobicContact CB-CE1 4.24Å; R691-Y694 HydrophobicContact CG-CE1 4.48Å; R691-Y694 HydrophobicContact CG-CE2 4.2Å; R691-Y694 PolarHBondContact O-N 2.65Å; Y694-V696 PolarHBondContact O-N 2.89Å; Y694-E700 WeakPolarHBondContact CE2-OE2 3.43Å; Y694-P701 HydrophobicContact CD2-CG 4.33Å
695	A	98.1	Very high	97.5	Very high	27 Å²	27	35.7 Å²	35.7	22%	0.223	18%	0.178	C	C	.	.			trans	-65.8	133.9	-179.4	0	0	0	0	0	110.3	R691 R699	R691-A695 HydrophobicContact CG-CB 3.82Å; R691-A695 WeakPolarHBondContact O-CB 3.18Å; R691-A695 PolarHBondContact O-N 3.42Å; A695-R699 WeakPolarHBondContact CA-O 2.92Å
696	V	98.4	Very high	97.5	Very high	31 Å²	31	38.6 Å²	38.6	19%	0.188	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-118.2	132.8	178.3	178.1	0	0	0	0	107.8	Y694 D698 R699 P701 G732 V734	Y694-V696 PolarHBondContact O-N 2.89Å; V696-D698 PolarHBondContact O-N 3.4Å; V696-D698 VanDerWaalsContact O-N 3.13Å; V696-R699 PolarHBondContact N-O 3.19Å; V696-R699 VanDerWaalsContact N-O 3.07Å; V696-R699 PolarHBondContact O-N 2.8Å; V696-P701 HydrophobicContact CG2-CB 4.32Å; V696-G732 WeakPolarHBondContact O-CA 3.39Å; V696-V734 HydrophobicContact CG2-CG2 3.87Å
697	A	96.4	Very high	97.6	Very high	43 Å²	43	43.5 Å²	43.5	36%	0.355	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.7	-172.3	0	0	0	0	0	113.1	R699 L719	A697-R699 VanDerWaalsContact C-N 3.26Å; A697-R699 WeakPolarHBondContact O-CD 3.4Å; A697-R699 PolarHBondContact O-N 3.29Å; A697-R699 PolarHBondContact O-NH1 3.33Å; A697-L719 HydrophobicContact CB-CD1 4.4Å
698	D	96.9	Very high	97.7	Very high	85 Å²	85	42.2 Å²	42.2	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	23.5	-174.2	-166.7	33.9	0	0	0	114.9	R691 V696	R691-D698 IonicContact CZ-OD1 2.73Å; R691-D698 IonicContact NH1-OD1 2.72Å; R691-D698 PolarHBondContact NH1-OD1 2.98Å; R691-D698 VanDerWaalsContact NH2-C 3.27Å; R691-D698 PolarHBondContact NH2-O 3.14Å; R691-D698 IonicContact NH2-OD1 3.05Å; V696-D698 PolarHBondContact O-N 3.4Å; V696-D698 VanDerWaalsContact O-N 3.13Å
699	R	98.3	Very high	97.8	Very high	19 Å²	19	42.2 Å²	42.2	7%	0.072	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-129.2	169.1	178.7	-78.4	80.5	-173.8	-178	5.1	110.9	A695 V696 A697 L719 L730 K760 P797	A695-R699 WeakPolarHBondContact CA-O 2.92Å; V696-R699 PolarHBondContact N-O 3.19Å; V696-R699 VanDerWaalsContact N-O 3.07Å; V696-R699 PolarHBondContact O-N 2.8Å; A697-R699 VanDerWaalsContact C-N 3.26Å; A697-R699 WeakPolarHBondContact O-CD 3.4Å; A697-R699 PolarHBondContact O-N 3.29Å; A697-R699 PolarHBondContact O-NH1 3.33Å; R699-L719 HydrophobicContact CG-CD1 4.15Å; R699-L730 HydrophobicContact CG-CB 4.31Å; R699-K760 WeakPolarHBondContact CG-O 3.4Å; R699-P797 PolarHBondContact NH2-O 2.64Å
700	E	98.6	Very high	97.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	22%	0.22	C	C	.	.			trans	-59.4	136.7	168.1	-165.9	65.4	-160.1	0	0	109.9	R680 Y694 T731 G732 V746 A750 N761	R680-E700 IonicContact CZ-OE1 3.45Å; R680-E700 IonicContact CZ-OE2 3.75Å; R680-E700 IonicContact NH1-OE1 2.74Å; R680-E700 PolarHBondContact NH1-OE1 3.44Å; R680-E700 IonicContact NH1-OE2 3.46Å; R680-E700 PolarHBondContact NH1-OE2 2.91Å; R680-E700 VanDerWaalsContact NH2-CD 3.33Å; R680-E700 IonicContact NH2-OE1 2.76Å; R680-E700 PolarHBondContact NH2-OE1 3.47Å; R680-E700 IonicContact NH2-OE2 3.77Å; R680-E700 PolarHBondContact NH2-OE2 3.39Å; Y694-E700 WeakPolarHBondContact CE2-OE2 3.43Å; E700-T731 CarbonylContact O-C 3.52Å; E700-T731 WeakPolarHBondContact O-CA 3.33Å; E700-T731 VanDerWaalsContact O-CB 3.29Å; E700-T731 WeakPolarHBondContact O-CB 3.49Å; E700-G732 PolarHBondContact O-N 2.96Å; E700-V746 HydrophobicContact CG-CG1 4.16Å; E700-A750 HydrophobicContact CB-CB 4.02Å; E700-A750 HydrophobicContact CG-CB 4.01Å; E700-N761 VanDerWaalsContact CB-O 3.23Å; E700-N761 WeakPolarHBondContact CB-O 3.49Å; E700-N761 PolarHBondContact N-O 3.41Å
701	P	98.7	Very high	98	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	145.5	-179.3	27.7	-35	0	0	0	112.3	Y694 V696 G732 V734	Y694-P701 HydrophobicContact CD2-CG 4.33Å; V696-P701 HydrophobicContact CG2-CB 4.32Å; P701-G732 CarbonylContact C-O 3.52Å; P701-G732 VanDerWaalsContact CA-O 3.24Å; P701-G732 WeakPolarHBondContact CA-O 3.46Å; P701-V734 HydrophobicContact CB-CG2 3.82Å
702	I	98.9	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122	162.4	-178	166.7	0	0	0	109.4	I704 V720 V722 T731 G732 V734 V744 C745 V746 I789	I702-I704 HydrophobicContact CD1-CG1 4.3Å; I702-I704 HydrophobicContact CG1-CD1 4.38Å; I702-I704 HydrophobicContact CG1-CG1 3.87Å; I702-I704 HydrophobicContact CG2-CD1 3.95Å; I702-I704 HydrophobicContact CG2-CG1 4.21Å; I702-V720 HydrophobicContact CG2-CB 4.23Å; I702-V720 HydrophobicContact CG2-CG1 4.47Å; I702-V720 HydrophobicContact CG2-CG2 4.49Å; I702-V722 HydrophobicContact CD1-CG2 3.51Å; I702-T731 HydrophobicContact CB-CG2 4.3Å; I702-T731 WeakPolarHBondContact CG2-OG1 3.37Å; I702-G732 PolarHBondContact N-O 3Å; I702-V734 PolarHBondContact O-N 2.99Å; I702-V744 HydrophobicContact CD1-CB 3.89Å; I702-V744 HydrophobicContact CD1-CG1 4.2Å; I702-V744 HydrophobicContact CD1-CG2 4.1Å; I702-V744 HydrophobicContact CG1-CB 4.07Å; I702-C745 CarbonylContact C-O 3.58Å; I702-C745 WeakPolarHBondContact CA-O 3.42Å; I702-V746 HydrophobicContact CB-CG2 3.87Å; I702-V746 HydrophobicContact CD1-CG2 4Å; I702-V746 HydrophobicContact CG1-CG2 3.8Å; I702-I789 HydrophobicContact CD1-CG2 4.13Å
703	T	98.8	Very high	98.1	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.7	172.6	-49.6	0	0	0	0	109.7	V734 T736 I739 V744 C745	T703-V734 WeakPolarHBondContact CA-O 3.33Å; T703-T736 HydrophobicContact CG2-CG2 3.42Å; T703-T736 VanDerWaalsContact CG2-CG2 3.42Å; T703-I739 HydrophobicContact CG2-CB 4.29Å; T703-I739 HydrophobicContact CG2-CD1 4.28Å; T703-I739 HydrophobicContact CG2-CG2 4.12Å; T703-V744 VanDerWaalsContact O-CA 3.29Å; T703-V744 WeakPolarHBondContact O-CA 3.33Å; T703-C745 PolarHBondContact N-O 3.04Å; T703-C745 PolarHBondContact O-N 2.94Å; T703-C745 VanDerWaalsContact O-N 3.1Å
704	I	98.9	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.7	-175.2	-49.2	170.6	0	0	0	109.5	I702 D708 A709 I714 A733 V734 V735 T736 V744 I789	I702-I704 HydrophobicContact CD1-CG1 4.3Å; I702-I704 HydrophobicContact CG1-CD1 4.38Å; I702-I704 HydrophobicContact CG1-CG1 3.87Å; I702-I704 HydrophobicContact CG2-CD1 3.95Å; I702-I704 HydrophobicContact CG2-CG1 4.21Å; I704-D708 HydrophobicContact CG2-CB 3.97Å; I704-A709 HydrophobicContact CB-CB 4.38Å; I704-A709 HydrophobicContact CG2-CB 3.88Å; I704-I714 HydrophobicContact CD1-CD1 4.28Å; I704-I714 HydrophobicContact CD1-CG2 3.92Å; I704-A733 HydrophobicContact CD1-CB 4.18Å; I704-V734 PolarHBondContact N-O 3.26Å; I704-V735 WeakPolarHBondContact O-CA 3.41Å; I704-T736 PolarHBondContact O-N 3.22Å; I704-V744 HydrophobicContact CB-CG1 4.5Å; I704-V744 HydrophobicContact CG1-CG1 4.16Å; I704-V744 HydrophobicContact CG2-CG1 4.28Å; I704-I789 HydrophobicContact CD1-CD1 4.05Å; I704-I789 HydrophobicContact CG2-CD1 4.16Å
705	H	98.7	Very high	98.3	Very high	22 Å²	22	37.7 Å²	37.7	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.7	173.4	-173.8	-101.5	0	0	0	111.1	E707 D708 A709 T736 I739	H705-E707 VanDerWaalsContact C-N 3.31Å; H705-E707 IonicContact CE1-OE1 2.74Å; H705-E707 PolarHBondContact ND1-N 3.41Å; H705-E707 PolarHBondContact O-N 3.05Å; H705-D708 HydrophobicContact CB-CB 4.28Å; H705-D708 WeakPolarHBondContact CB-OD2 3.39Å; H705-D708 PolarHBondContact O-N 3.08Å; H705-A709 WeakPolarHBondContact O-CB 3.46Å; H705-A709 PolarHBondContact O-N 3.29Å; H705-T736 CarbonylContact C-O 3.5Å; H705-T736 WeakPolarHBondContact CA-O 3.29Å; H705-I739 HydrophobicContact CB-CG2 3.98Å; H705-I739 PolarHBondContact CD2-O 3.35Å
706	T	98.6	Very high	98.4	Very high	62 Å²	62	41.8 Å²	41.8	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-50.6	-45.9	-178.7	49.8	0	0	0	0	113.5	A710 V735 T736	T706-A710 WeakPolarHBondContact O-CB 3.2Å; T706-A710 PolarHBondContact O-N 3.41Å; T706-V735 HydrophobicContact CG2-CG1 4.12Å; T706-T736 PolarHBondContact N-O 3.07Å
707	E	98.4	Very high	98.4	Very high	103 Å²	103	41.9 Å²	41.9	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-70.6	-33.9	178.7	-66.3	179.3	-134.8	0	0	113.3	H705 R711 K741	H705-E707 VanDerWaalsContact C-N 3.31Å; H705-E707 IonicContact CE1-OE1 2.74Å; H705-E707 PolarHBondContact ND1-N 3.41Å; H705-E707 PolarHBondContact O-N 3.05Å; E707-R711 WeakPolarHBondContact O-CB 3.28Å; E707-R711 PolarHBondContact O-N 2.94Å; E707-K741 HydrophobicContact CB-CD 4.47Å; E707-K741 WeakPolarHBondContact OE2-CE 3.36Å; E707-K741 IonicContact OE2-NZ 3.16Å; E707-K741 PolarHBondContact OE2-NZ 2.99Å
708	D	98.6	Very high	98.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-42.8	176.4	-72.4	-51.9	0	0	0	110.3	I704 H705 A710 R711 F712 K741 G742	I704-D708 HydrophobicContact CG2-CB 3.97Å; H705-D708 HydrophobicContact CB-CB 4.28Å; H705-D708 WeakPolarHBondContact CB-OD2 3.39Å; H705-D708 PolarHBondContact O-N 3.08Å; D708-A710 VanDerWaalsContact C-N 3.34Å; D708-A710 PolarHBondContact O-N 2.95Å; D708-R711 WeakPolarHBondContact O-CB 3.5Å; D708-R711 PolarHBondContact O-N 3.34Å; D708-R711 IonicContact OD1-CZ 2.71Å; D708-R711 IonicContact OD1-NE 3.92Å; D708-R711 IonicContact OD1-NH2 3.01Å; D708-R711 PolarHBondContact OD1-NH2 3.23Å; D708-F712 WeakPolarHBondContact O-CD2 3.15Å; D708-F712 PolarHBondContact O-N 2.75Å; D708-K741 WeakPolarHBondContact OD2-CA 3.29Å; D708-G742 PolarHBondContact OD2-N 2.72Å
709	A	98.8	Very high	98.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-46.6	174.9	0	0	0	0	0	111.3	I704 H705 R711 F712 G713 I714 V735	I704-A709 HydrophobicContact CB-CB 4.38Å; I704-A709 HydrophobicContact CG2-CB 3.88Å; H705-A709 WeakPolarHBondContact O-CB 3.46Å; H705-A709 PolarHBondContact O-N 3.29Å; A709-R711 PolarHBondContact O-N 2.9Å; A709-F712 CarbonylContact O-C 3.46Å; A709-F712 PolarHBondContact O-N 2.82Å; A709-G713 PolarHBondContact O-N 3.04Å; A709-I714 HydrophobicContact CB-CB 4.49Å; A709-I714 WeakPolarHBondContact CB-O 3.47Å; A709-I714 PolarHBondContact O-N 3.38Å; A709-V735 HydrophobicContact CB-CB 4.31Å; A709-V735 HydrophobicContact CB-CG1 3.61Å; A709-V735 HydrophobicContact CB-CG2 3.68Å
710	A	98.4	Very high	98.6	Very high	75 Å²	75	37.4 Å²	37.4	62%	0.62	23%	0.226	S	C	*	.	H	α-helix	trans	-60.2	-44	175	0	0	0	0	0	112.3	T706 D708 F712 G713	T706-A710 WeakPolarHBondContact O-CB 3.2Å; T706-A710 PolarHBondContact O-N 3.41Å; D708-A710 VanDerWaalsContact C-N 3.34Å; D708-A710 PolarHBondContact O-N 2.95Å; A710-F712 VanDerWaalsContact C-N 3.27Å; A710-F712 PolarHBondContact O-N 3.14Å; A710-G713 PolarHBondContact O-N 2.78Å
711	R	97.9	Very high	98.6	Very high	124 Å²	124	39.1 Å²	39.1	47%	0.468	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-36	177.1	175	172.3	64.4	151.9	-0.1	113	E667 L670 E707 D708 A709	E667-R711 PolarHBondContact O-NH1 2.9Å; L670-R711 VanDerWaalsContact CD2-NH2 3.26Å; E707-R711 WeakPolarHBondContact O-CB 3.28Å; E707-R711 PolarHBondContact O-N 2.94Å; D708-R711 WeakPolarHBondContact O-CB 3.5Å; D708-R711 PolarHBondContact O-N 3.34Å; D708-R711 IonicContact OD1-CZ 2.71Å; D708-R711 IonicContact OD1-NE 3.92Å; D708-R711 IonicContact OD1-NH2 3.01Å; D708-R711 PolarHBondContact OD1-NH2 3.23Å; A709-R711 PolarHBondContact O-N 2.9Å
712	F	98.1	Very high	98.6	Very high	48 Å²	48	38.5 Å²	38.5	21%	0.211	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	6.1	-179.6	-64.4	-68.9	0	0	0	114.2	K668 L670 D708 A709 A710 I714 I789	K668-F712 WeakPolarHBondContact O-CZ 3.37Å; L670-F712 HydrophobicContact CD1-CD2 4.4Å; L670-F712 HydrophobicContact CD1-CE2 3.83Å; L670-F712 HydrophobicContact CD2-CE2 4.3Å; L670-F712 HydrophobicContact CG-CE2 4.19Å; D708-F712 WeakPolarHBondContact O-CD2 3.15Å; D708-F712 PolarHBondContact O-N 2.75Å; A709-F712 CarbonylContact O-C 3.46Å; A709-F712 PolarHBondContact O-N 2.82Å; A710-F712 VanDerWaalsContact C-N 3.27Å; A710-F712 PolarHBondContact O-N 3.14Å; F712-I714 VanDerWaalsContact C-N 3.31Å; F712-I714 HydrophobicContact CB-CD1 3.83Å; F712-I714 HydrophobicContact CB-CG1 4.19Å; F712-I714 PolarHBondContact O-N 3.32Å; F712-I789 HydrophobicContact CB-CD1 4.48Å; F712-I789 HydrophobicContact CB-CG1 4.29Å; F712-I789 HydrophobicContact CD1-CG1 4.42Å; F712-I789 HydrophobicContact CD2-CD1 3.72Å; F712-I789 HydrophobicContact CD2-CG1 3.65Å; F712-I789 HydrophobicContact CE2-CD1 4.3Å; F712-I789 HydrophobicContact CE2-CG1 4.07Å; F712-I789 HydrophobicContact CG-CD1 4.27Å; F712-I789 HydrophobicContact CG-CG1 3.87Å
713	G	98.3	Very high	98.6	Very high	53 Å²	53	42.2 Å²	42.2	55%	0.546	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	32.4	179.9	0	0	0	0	0	113.9	A709 A710	A709-G713 PolarHBondContact O-N 3.04Å; A710-G713 PolarHBondContact O-N 2.78Å
714	I	98.7	Very high	98.5	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.051	24%	0.241	C	C	.	.			trans	-103.9	129.3	-178.1	-65.9	167.2	0	0	0	109.1	I704 A709 F712 D718 V720 A733 I789 K791	I704-I714 HydrophobicContact CD1-CD1 4.28Å; I704-I714 HydrophobicContact CD1-CG2 3.92Å; A709-I714 HydrophobicContact CB-CB 4.49Å; A709-I714 WeakPolarHBondContact CB-O 3.47Å; A709-I714 PolarHBondContact O-N 3.38Å; F712-I714 VanDerWaalsContact C-N 3.31Å; F712-I714 HydrophobicContact CB-CD1 3.83Å; F712-I714 HydrophobicContact CB-CG1 4.19Å; F712-I714 PolarHBondContact O-N 3.32Å; I714-D718 HydrophobicContact CG2-CB 4.34Å; I714-V720 HydrophobicContact CD1-CG1 4.04Å; I714-V720 HydrophobicContact CD1-CG2 3.96Å; I714-V720 HydrophobicContact CG1-CG2 4.22Å; I714-V720 HydrophobicContact CG2-CG2 3.7Å; I714-A733 HydrophobicContact CG2-CB 3.59Å; I714-I789 HydrophobicContact CD1-CB 4.35Å; I714-I789 HydrophobicContact CD1-CD1 3.66Å; I714-I789 HydrophobicContact CD1-CG1 3.96Å; I714-K791 HydrophobicContact CG1-CB 4.35Å
715	A	98.6	Very high	98.5	Very high	53 Å²	53	51 Å²	51	44%	0.438	28%	0.28	S	S	.	.			trans	-106.3	162.5	172.2	0	0	0	0	0	111.5	G717 D718 A733	A715-G717 PolarHBondContact O-N 2.94Å; A715-D718 PolarHBondContact N-OD2 2.81Å; A715-D718 WeakPolarHBondContact O-CB 3.42Å; A715-D718 PolarHBondContact O-N 2.86Å; A715-D718 VanDerWaalsContact O-N 3.15Å; A715-A733 WeakPolarHBondContact O-CB 3.08Å
716	N	98.6	Very high	98.4	Very high	112 Å²	112	51.4 Å²	51.4	60%	0.599	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.8	174.2	-167.1	74.9	0	0	0	110.7	A733 V734 V735	N716-A733 PolarHBondContact OD1-O 3.49Å; N716-V734 WeakPolarHBondContact OD1-CA 3.21Å; N716-V735 HydrophobicContact CB-CB 4.36Å; N716-V735 HydrophobicContact CB-CG2 4.37Å; N716-V735 PolarHBondContact OD1-N 3.41Å; N716-V735 VanDerWaalsContact OD1-N 3.1Å
717	G	98.3	Very high	98.4	Very high	34 Å²	34	49 Å²	49	35%	0.351	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-9.8	-177	0	0	0	0	0	115.4	A715 A733	A715-G717 PolarHBondContact O-N 2.94Å; G717-A733 PolarHBondContact N-O 3.44Å
718	D	98.6	Very high	98.4	Very high	30 Å²	30	46.9 Å²	46.9	16%	0.16	26%	0.259	C	S	.	.			trans	-64.9	145.4	176.7	-80.6	-25.5	0	0	0	111.7	I714 A715 A733 K791	I714-D718 HydrophobicContact CG2-CB 4.34Å; A715-D718 PolarHBondContact N-OD2 2.81Å; A715-D718 WeakPolarHBondContact O-CB 3.42Å; A715-D718 PolarHBondContact O-N 2.86Å; A715-D718 VanDerWaalsContact O-N 3.15Å; D718-A733 HydrophobicContact CB-CB 4.43Å; D718-A733 PolarHBondContact O-N 3.28Å; D718-K791 WeakPolarHBondContact OD1-CE 3.5Å; D718-K791 IonicContact OD1-NZ 3.4Å; D718-K791 PolarHBondContact OD1-NZ 3.3Å; D718-K791 WeakPolarHBondContact OD2-CE 3.36Å; D718-K791 IonicContact OD2-NZ 3.66Å; D718-K791 PolarHBondContact OD2-NZ 3.15Å
719	L	98.6	Very high	98.4	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.6	166.6	-171.7	62	0	0	0	108.6	A697 R699 L730 Y792 A796	A697-L719 HydrophobicContact CB-CD1 4.4Å; R699-L719 HydrophobicContact CG-CD1 4.15Å; L719-L730 HydrophobicContact CD1-CB 4.14Å; L719-L730 HydrophobicContact CD2-CD1 4.37Å; L719-Y792 HydrophobicContact CD2-CD1 3.61Å; L719-Y792 HydrophobicContact CD2-CE1 4.29Å; L719-Y792 HydrophobicContact CD2-CG 4.3Å; L719-Y792 HydrophobicContact CG-CD1 4.23Å; L719-Y792 HydrophobicContact CG-CG 4.46Å; L719-Y792 WeakPolarHBondContact O-CB 3.32Å; L719-Y792 PolarHBondContact O-N 2.86Å; L719-A796 HydrophobicContact CD2-CB 3.68Å
720	V	98.8	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.9	-174.3	176.1	0	0	0	0	109.8	I702 I714 V722 L730 T731 A733 I789 E790	I702-V720 HydrophobicContact CG2-CB 4.23Å; I702-V720 HydrophobicContact CG2-CG1 4.47Å; I702-V720 HydrophobicContact CG2-CG2 4.49Å; I714-V720 HydrophobicContact CD1-CG1 4.04Å; I714-V720 HydrophobicContact CD1-CG2 3.96Å; I714-V720 HydrophobicContact CG1-CG2 4.22Å; I714-V720 HydrophobicContact CG2-CG2 3.7Å; V720-V722 HydrophobicContact CG1-CG2 4.1Å; V720-L730 WeakPolarHBondContact O-CA 3.47Å; V720-T731 PolarHBondContact N-O 3.1Å; V720-T731 PolarHBondContact O-N 3.11Å; V720-T731 PolarHBondContact O-OG1 2.9Å; V720-A733 HydrophobicContact CG2-CB 3.83Å; V720-I789 HydrophobicContact CG1-CB 4.03Å; V720-I789 HydrophobicContact CG1-CG2 4.47Å; V720-E790 WeakPolarHBondContact CA-O 3.24Å; V720-E790 WeakPolarHBondContact CG1-O 3.45Å
721	R	98.7	Very high	98.4	Very high	39 Å²	39	43.2 Å²	43.2	15%	0.147	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.2	168	-171.7	174.3	72.9	89.4	4.8	108.7	W723 Q728 I729 L730 I789 E790 Y792	R721-W723 VanDerWaalsContact NH1-CD1 3.28Å; R721-W723 VanDerWaalsContact NH2-NE1 3.12Å; R721-Q728 VanDerWaalsContact NH1-OE1 3.15Å; R721-I729 WeakPolarHBondContact CA-O 3.25Å; R721-L730 HydrophobicContact CB-CD2 4.15Å; R721-L730 HydrophobicContact CG-CD2 4.41Å; R721-I789 WeakPolarHBondContact O-CA 3.38Å; R721-E790 HydrophobicContact CB-CG 4.05Å; R721-E790 IonicContact CZ-OE1 3.49Å; R721-E790 PolarHBondContact N-O 2.93Å; R721-E790 IonicContact NE-OE1 2.69Å; R721-E790 PolarHBondContact NE-OE1 2.86Å; R721-E790 IonicContact NH2-OE1 3.04Å; R721-E790 PolarHBondContact NH2-OE1 2.8Å; R721-E790 IonicContact NH2-OE2 2.86Å; R721-E790 PolarHBondContact NH2-OE2 3.08Å; R721-E790 PolarHBondContact O-N 2.97Å; R721-Y792 HydrophobicContact CB-CD2 4.18Å
722	V	98.8	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.6	175.6	-170.6	0	0	0	0	107.3	I702 V720 Q728 I729 T731 L767 V787 Y788 I789	I702-V722 HydrophobicContact CD1-CG2 3.51Å; V720-V722 HydrophobicContact CG1-CG2 4.1Å; V722-Q728 CarbonylContact O-C 3.02Å; V722-Q728 WeakPolarHBondContact O-CA 3.35Å; V722-I729 HydrophobicContact CB-CD1 4.34Å; V722-I729 HydrophobicContact CB-CG1 3.85Å; V722-I729 HydrophobicContact CG2-CG1 4.34Å; V722-I729 PolarHBondContact N-O 3.22Å; V722-I729 PolarHBondContact O-N 3.3Å; V722-T731 HydrophobicContact CG2-CG2 4.26Å; V722-T731 WeakPolarHBondContact CG2-OG1 3.47Å; V722-L767 HydrophobicContact CB-CD1 4.01Å; V722-L767 HydrophobicContact CG1-CD1 3.5Å; V722-L767 VanDerWaalsContact CG1-CD1 3.5Å; V722-V787 HydrophobicContact CG1-CB 3.86Å; V722-V787 HydrophobicContact CG1-CG1 4.15Å; V722-V787 HydrophobicContact CG1-CG2 3.87Å; V722-Y788 WeakPolarHBondContact CA-O 3.37Å; V722-I789 HydrophobicContact CB-CG2 4.4Å; V722-I789 HydrophobicContact CG1-CG2 4.03Å; V722-I789 HydrophobicContact CG2-CG2 4.09Å
723	W	98.7	Very high	98.5	Very high	79 Å²	79	35 Å²	35	30%	0.299	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.1	-171.1	66.5	-82.1	0	0	0	113.8	R721 G727 Q728 Y788	R721-W723 VanDerWaalsContact NH1-CD1 3.28Å; R721-W723 VanDerWaalsContact NH2-NE1 3.12Å; W723-G727 WeakPolarHBondContact CA-O 3.44Å; W723-Q728 HydrophobicContact CB-CB 3.67Å; W723-Y788 HydrophobicContact CD2-CD2 4.16Å; W723-Y788 HydrophobicContact CE3-CD2 4.08Å; W723-Y788 AromaticContact CH2-CD2 3.72Å; W723-Y788 HydrophobicContact CH2-CD2 3.72Å; W723-Y788 HydrophobicContact CH2-CE2 4.12Å; W723-Y788 HydrophobicContact CH2-CG 4.22Å; W723-Y788 AromaticContact CZ2-CD2 3.82Å; W723-Y788 HydrophobicContact CZ2-CD2 3.82Å; W723-Y788 AromaticContact CZ2-CG 3.89Å; W723-Y788 HydrophobicContact CZ2-CG 3.89Å; W723-Y788 AromaticContact CZ3-CD2 3.85Å; W723-Y788 HydrophobicContact CZ3-CD2 3.85Å; W723-Y788 HydrophobicContact CZ3-CE2 4.22Å; W723-Y788 PolarHBondContact N-O 2.83Å; W723-Y788 PolarHBondContact O-N 2.95Å
724	N	98.4	Very high	98.5	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	18%	0.184	C	C	.	.			trans	-154	-164.2	167.1	62.9	23.4	0	0	0	109.4	R726 G727 L767 L786	N724-R726 PolarHBondContact ND2-NH2 3.49Å; N724-R726 VanDerWaalsContact ND2-NH2 3.11Å; N724-R726 PolarHBondContact O-N 3.25Å; N724-R726 WeakPolarHBondContact OD1-CB 3.35Å; N724-R726 PolarHBondContact OD1-N 3.3Å; N724-G727 PolarHBondContact N-O 3.3Å; N724-G727 PolarHBondContact OD1-N 2.98Å; N724-L767 PolarHBondContact ND2-O 2.94Å; N724-L786 WeakPolarHBondContact CB-O 3.38Å; N724-L786 PolarHBondContact ND2-O 3.36Å; N724-L786 VanDerWaalsContact ND2-O 3.1Å
725	K	97	Very high	98.5	Very high	186 Å²	186	36.2 Å²	36.2	81%	0.809	19%	0.193	S	C	*	.	S	Bend	trans	-64.6	-19.2	-179.7	68.9	-178.1	178.5	-175.7	0	114.9
726	R	97.8	Very high	98.5	Very high	31 Å²	31	35.8 Å²	35.8	12%	0.117	19%	0.185	C	C	.	.	S	Bend	trans	-89.5	-32.6	-176.8	-69	176.4	-73.3	-88.1	2.8	112.5	N473 E660 N724 L767 T768	N473-R726 PolarHBondContact ND2-O 3.31Å; E660-R726 IonicContact OE1-CZ 3.56Å; E660-R726 IonicContact OE1-NH1 3.77Å; E660-R726 PolarHBondContact OE1-NH1 3Å; E660-R726 IonicContact OE1-NH2 3.93Å; E660-R726 PolarHBondContact OE1-NH2 3.12Å; E660-R726 IonicContact OE2-CZ 3.41Å; E660-R726 IonicContact OE2-NH1 3.47Å; E660-R726 IonicContact OE2-NH2 2.82Å; E660-R726 PolarHBondContact OE2-NH2 3.28Å; N724-R726 PolarHBondContact ND2-NH2 3.49Å; N724-R726 VanDerWaalsContact ND2-NH2 3.11Å; N724-R726 PolarHBondContact O-N 3.25Å; N724-R726 WeakPolarHBondContact OD1-CB 3.35Å; N724-R726 PolarHBondContact OD1-N 3.3Å; R726-L767 VanDerWaalsContact CZ-O 3.24Å; R726-L767 PolarHBondContact NE-O 3.01Å; R726-L767 PolarHBondContact NH2-O 3.4Å; R726-T768 WeakPolarHBondContact CD-O 3.37Å; R726-T768 PolarHBondContact NE-O 3.46Å
727	G	98.2	Very high	98.5	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	18%	0.179	C	C	.	.			trans	176.8	-168.2	179.4	0	0	0	0	0	113.8	W723 N724 L767	W723-G727 WeakPolarHBondContact CA-O 3.44Å; N724-G727 PolarHBondContact N-O 3.3Å; N724-G727 PolarHBondContact OD1-N 2.98Å; G727-L767 VanDerWaalsContact O-CD2 3.23Å; G727-L767 WeakPolarHBondContact O-CD2 3.21Å
728	Q	98.6	Very high	98.4	Very high	59 Å²	59	33.2 Å²	33.2	28%	0.276	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.9	-178.5	54.1	179.9	-18.7	0	0	111.2	R721 V722 W723 G757 L758 C759	R721-Q728 VanDerWaalsContact NH1-OE1 3.15Å; V722-Q728 CarbonylContact O-C 3.02Å; V722-Q728 WeakPolarHBondContact O-CA 3.35Å; W723-Q728 HydrophobicContact CB-CB 3.67Å; Q728-G757 WeakPolarHBondContact CG-O 3.45Å; Q728-L758 HydrophobicContact CB-CD1 4.12Å; Q728-L758 HydrophobicContact CG-CB 4.26Å; Q728-L758 HydrophobicContact CG-CD1 3.72Å; Q728-C759 PolarHBondContact O-N 2.74Å
729	I	98.7	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.6	-178.8	73.2	178.1	0	0	0	110.8	R721 V722 T731 V746 C759 S763 V766 L767	R721-I729 WeakPolarHBondContact CA-O 3.25Å; V722-I729 HydrophobicContact CB-CD1 4.34Å; V722-I729 HydrophobicContact CB-CG1 3.85Å; V722-I729 HydrophobicContact CG2-CG1 4.34Å; V722-I729 PolarHBondContact N-O 3.22Å; V722-I729 PolarHBondContact O-N 3.3Å; I729-T731 HydrophobicContact CD1-CG2 3.83Å; I729-T731 HydrophobicContact CG1-CG2 4.08Å; I729-V746 HydrophobicContact CD1-CG1 4.36Å; I729-C759 CarbonylContact C-O 3.6Å; I729-C759 WeakPolarHBondContact CA-O 3.39Å; I729-C759 HydrophobicContact CB-CB 4.04Å; I729-C759 HydrophobicContact CG2-CB 3.68Å; I729-S763 WeakPolarHBondContact CG2-O 3.26Å; I729-V766 HydrophobicContact CG2-CB 3.71Å; I729-V766 HydrophobicContact CG2-CG1 3.9Å; I729-V766 HydrophobicContact CG2-CG2 4.18Å; I729-L767 HydrophobicContact CD1-CD1 3.64Å; I729-L767 HydrophobicContact CD1-CG 4.36Å; I729-L767 HydrophobicContact CG1-CD1 3.91Å; I729-L767 HydrophobicContact CG2-CD1 4.46Å; I729-L767 HydrophobicContact CG2-CD2 4.39Å; I729-L767 HydrophobicContact CG2-CG 4.18Å
730	L	98.7	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.6	167.4	-63.1	-177.3	0	0	0	110.9	R699 L719 V720 R721 L758 C759 N761 G762 Y792 P797	R699-L730 HydrophobicContact CG-CB 4.31Å; L719-L730 HydrophobicContact CD1-CB 4.14Å; L719-L730 HydrophobicContact CD2-CD1 4.37Å; V720-L730 WeakPolarHBondContact O-CA 3.47Å; R721-L730 HydrophobicContact CB-CD2 4.15Å; R721-L730 HydrophobicContact CG-CD2 4.41Å; L730-L758 HydrophobicContact CD1-CD2 4.04Å; L730-L758 HydrophobicContact CD2-CD1 4.19Å; L730-L758 HydrophobicContact CD2-CD2 4.42Å; L730-L758 HydrophobicContact CG-CD1 4.01Å; L730-L758 HydrophobicContact CG-CD2 4.07Å; L730-L758 HydrophobicContact CG-CG 4.25Å; L730-C759 PolarHBondContact N-O 2.78Å; L730-N761 CarbonylContact O-C 3.52Å; L730-G762 WeakPolarHBondContact O-CA 3.34Å; L730-G762 PolarHBondContact O-N 3.06Å; L730-G762 VanDerWaalsContact O-N 3.15Å; L730-Y792 HydrophobicContact CD2-CD1 4.4Å; L730-Y792 HydrophobicContact CD2-CD2 3.65Å; L730-Y792 HydrophobicContact CD2-CE2 4.04Å; L730-Y792 HydrophobicContact CD2-CG 3.83Å; L730-P797 HydrophobicContact CD1-CG 3.64Å
731	T	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161	-179	53	0	0	0	0	110.3	E700 I702 V720 V722 I729 V746	E700-T731 CarbonylContact O-C 3.52Å; E700-T731 WeakPolarHBondContact O-CA 3.33Å; E700-T731 VanDerWaalsContact O-CB 3.29Å; E700-T731 WeakPolarHBondContact O-CB 3.49Å; I702-T731 HydrophobicContact CB-CG2 4.3Å; I702-T731 WeakPolarHBondContact CG2-OG1 3.37Å; V720-T731 PolarHBondContact N-O 3.1Å; V720-T731 PolarHBondContact O-N 3.11Å; V720-T731 PolarHBondContact O-OG1 2.9Å; V722-T731 HydrophobicContact CG2-CG2 4.26Å; V722-T731 WeakPolarHBondContact CG2-OG1 3.47Å; I729-T731 HydrophobicContact CD1-CG2 3.83Å; I729-T731 HydrophobicContact CG1-CG2 4.08Å; T731-V746 HydrophobicContact CG2-CG1 4.16Å; T731-V746 HydrophobicContact CG2-CG2 4.1Å
732	G	98.8	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.8	172.5	0	0	0	0	0	112.2	V696 E700 P701 I702 V734	V696-G732 WeakPolarHBondContact O-CA 3.39Å; E700-G732 PolarHBondContact O-N 2.96Å; P701-G732 CarbonylContact C-O 3.52Å; P701-G732 VanDerWaalsContact CA-O 3.24Å; P701-G732 WeakPolarHBondContact CA-O 3.46Å; I702-G732 PolarHBondContact N-O 3Å; G732-V734 PolarHBondContact O-N 2.84Å
733	A	98.9	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.8	-173.5	0	0	0	0	0	113.7	I704 I714 A715 N716 G717 D718 V720	I704-A733 HydrophobicContact CD1-CB 4.18Å; I714-A733 HydrophobicContact CG2-CB 3.59Å; A715-A733 WeakPolarHBondContact O-CB 3.08Å; N716-A733 PolarHBondContact OD1-O 3.49Å; G717-A733 PolarHBondContact N-O 3.44Å; D718-A733 HydrophobicContact CB-CB 4.43Å; D718-A733 PolarHBondContact O-N 3.28Å; V720-A733 HydrophobicContact CG2-CB 3.83Å
734	V	98.7	Very high	98.2	Very high	47 Å²	47	33 Å²	33	29%	0.285	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.5	165.1	179.6	0	0	0	0	108	V696 P701 I702 T703 I704 N716 G732	V696-V734 HydrophobicContact CG2-CG2 3.87Å; P701-V734 HydrophobicContact CB-CG2 3.82Å; I702-V734 PolarHBondContact O-N 2.99Å; T703-V734 WeakPolarHBondContact CA-O 3.33Å; I704-V734 PolarHBondContact N-O 3.26Å; N716-V734 WeakPolarHBondContact OD1-CA 3.21Å; G732-V734 PolarHBondContact O-N 2.84Å
735	V	98.8	Very high	98.2	Very high	41 Å²	41	32.2 Å²	32.2	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.1	-175.6	-178.3	0	0	0	0	110	I704 T706 A709 N716	I704-V735 WeakPolarHBondContact O-CA 3.41Å; T706-V735 HydrophobicContact CG2-CG1 4.12Å; A709-V735 HydrophobicContact CB-CB 4.31Å; A709-V735 HydrophobicContact CB-CG1 3.61Å; A709-V735 HydrophobicContact CB-CG2 3.68Å; N716-V735 HydrophobicContact CB-CB 4.36Å; N716-V735 HydrophobicContact CB-CG2 4.37Å; N716-V735 PolarHBondContact OD1-N 3.41Å; N716-V735 VanDerWaalsContact OD1-N 3.1Å
736	T	98.4	Very high	98.3	Very high	43 Å²	43	23.4 Å²	23.4	26%	0.264	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.2	-174.6	-178.4	0	0	0	0	111.7	T703 I704 H705 T706 G738	T703-T736 HydrophobicContact CG2-CG2 3.42Å; T703-T736 VanDerWaalsContact CG2-CG2 3.42Å; I704-T736 PolarHBondContact O-N 3.22Å; H705-T736 CarbonylContact C-O 3.5Å; H705-T736 WeakPolarHBondContact CA-O 3.29Å; T706-T736 PolarHBondContact N-O 3.07Å; T736-G738 VanDerWaalsContact C-N 3.32Å; T736-G738 PolarHBondContact OG1-N 3.17Å; T736-G738 VanDerWaalsContact OG1-N 3.1Å
737	D	97.3	Very high	98.3	Very high	88 Å²	88	23.8 Å²	23.8	47%	0.471	13%	0.129	S	C	.	.	S	Bend	trans	-87.7	-3.8	168.7	66.4	-3.2	0	0	0	112.5	R253 I739	R253-D737 IonicContact CZ-OD1 3.76Å; R253-D737 IonicContact NH2-OD1 2.73Å; R253-D737 PolarHBondContact NH2-OD1 2.58Å; D737-I739 PolarHBondContact O-N 3.47Å
738	G	97.4	Very high	98.3	Very high	5 Å²	5	23.9 Å²	23.9	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	-74.9	20.6	-178.5	0	0	0	0	0	115.5	I252 R253 T736	I252-G738 VanDerWaalsContact CG1-O 3.3Å; I252-G738 WeakPolarHBondContact CG1-O 3.46Å; R253-G738 PolarHBondContact N-O 3.33Å; T736-G738 VanDerWaalsContact C-N 3.32Å; T736-G738 PolarHBondContact OG1-N 3.17Å; T736-G738 VanDerWaalsContact OG1-N 3.1Å
739	I	98.4	Very high	98.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-144.9	144.1	177.1	-168.7	167.9	0	0	0	109.8	I252 T703 H705 D737 K741 V743 C745	I252-I739 HydrophobicContact CB-CG1 4.35Å; I252-I739 HydrophobicContact CD1-CD1 4.41Å; I252-I739 HydrophobicContact CG1-CB 4.33Å; I252-I739 HydrophobicContact CG1-CG1 4.35Å; T703-I739 HydrophobicContact CG2-CB 4.29Å; T703-I739 HydrophobicContact CG2-CD1 4.28Å; T703-I739 HydrophobicContact CG2-CG2 4.12Å; H705-I739 HydrophobicContact CB-CG2 3.98Å; H705-I739 PolarHBondContact CD2-O 3.35Å; D737-I739 PolarHBondContact O-N 3.47Å; I739-K741 PolarHBondContact O-N 2.94Å; I739-V743 HydrophobicContact CD1-CG1 4.16Å; I739-V743 HydrophobicContact CG1-CB 4.29Å; I739-V743 HydrophobicContact CG1-CG1 4.27Å; I739-C745 HydrophobicContact CD1-CB 3.78Å
740	K	97.6	Very high	98.2	Very high	45 Å²	45	21.2 Å²	21.2	20%	0.196	11%	0.114	C	C	.	.			trans	-54.6	129.8	178.6	-176.7	83	174.6	72.7	0	111.1	P251 A268 G742 V743	P251-K740 HydrophobicContact CB-CB 4.43Å; P251-K740 WeakPolarHBondContact O-CB 3.41Å; P251-K740 PolarHBondContact O-N 3.39Å; A268-K740 HydrophobicContact CB-CB 4.23Å; A268-K740 HydrophobicContact CB-CD 3.66Å; A268-K740 WeakPolarHBondContact O-CD 2.96Å; A268-K740 WeakPolarHBondContact O-CE 3.31Å; K740-G742 PolarHBondContact O-N 3.17Å; K740-V743 HydrophobicContact CB-CB 4.14Å; K740-V743 HydrophobicContact CB-CG2 3.78Å; K740-V743 HydrophobicContact CG-CG2 3.96Å; K740-V743 WeakPolarHBondContact O-CA 3.49Å; K740-V743 VanDerWaalsContact O-CB 3.31Å; K740-V743 WeakPolarHBondContact O-CB 3.43Å; K740-V743 PolarHBondContact O-N 2.85Å
741	K	97.6	Very high	98.2	Very high	105 Å²	105	21.5 Å²	21.5	46%	0.457	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	130.9	166.2	-176.7	178.9	178.6	173.7	0	111	E707 D708 I739	E707-K741 HydrophobicContact CB-CD 4.47Å; E707-K741 WeakPolarHBondContact OE2-CE 3.36Å; E707-K741 IonicContact OE2-NZ 3.16Å; E707-K741 PolarHBondContact OE2-NZ 2.99Å; D708-K741 WeakPolarHBondContact OD2-CA 3.29Å; I739-K741 PolarHBondContact O-N 2.94Å
742	G	97.9	Very high	98.1	Very high	13 Å²	13	22.1 Å²	22.1	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-1	-172.8	0	0	0	0	0	114.3	L670 Q671 D708 K740	L670-G742 WeakPolarHBondContact CA-O 3.46Å; Q671-G742 PolarHBondContact N-O 2.97Å; D708-G742 PolarHBondContact OD2-N 2.72Å; K740-G742 PolarHBondContact O-N 3.17Å
743	V	98.4	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139	-179.6	-175.2	0	0	0	0	110.2	M271 Q671 L673 I739 K740	M271-V743 HydrophobicContact CG-CG1 4.14Å; M271-V743 HydrophobicContact CG-CG2 4.24Å; M271-V743 HydrophobicContact SD-CG1 3.53Å; M271-V743 VanDerWaalsContact SD-CG1 3.53Å; M271-V743 HydrophobicContact SD-CG2 4.45Å; Q671-V743 HydrophobicContact CB-CG2 4.34Å; Q671-V743 CarbonylContact O-C 3.53Å; Q671-V743 WeakPolarHBondContact O-CA 3.23Å; L673-V743 HydrophobicContact CB-CG1 4.32Å; I739-V743 HydrophobicContact CD1-CG1 4.16Å; I739-V743 HydrophobicContact CG1-CB 4.29Å; I739-V743 HydrophobicContact CG1-CG1 4.27Å; K740-V743 HydrophobicContact CB-CB 4.14Å; K740-V743 HydrophobicContact CB-CG2 3.78Å; K740-V743 HydrophobicContact CG-CG2 3.96Å; K740-V743 WeakPolarHBondContact O-CA 3.49Å; K740-V743 VanDerWaalsContact O-CB 3.31Å; K740-V743 WeakPolarHBondContact O-CB 3.43Å; K740-V743 PolarHBondContact O-N 2.85Å
744	V	98.8	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.6	169.7	-67.2	0	0	0	0	110	L670 Q671 L672 L673 I702 T703 I704 V787	L670-V744 HydrophobicContact CB-CG1 4.34Å; L670-V744 HydrophobicContact CB-CG2 4.28Å; L670-V744 HydrophobicContact CD1-CG1 3.54Å; Q671-V744 PolarHBondContact O-N 2.73Å; L672-V744 HydrophobicContact CB-CG2 4.47Å; L672-V744 HydrophobicContact CD1-CG2 4.05Å; L673-V744 PolarHBondContact N-O 3.01Å; I702-V744 HydrophobicContact CD1-CB 3.89Å; I702-V744 HydrophobicContact CD1-CG1 4.2Å; I702-V744 HydrophobicContact CD1-CG2 4.1Å; I702-V744 HydrophobicContact CG1-CB 4.07Å; T703-V744 VanDerWaalsContact O-CA 3.29Å; T703-V744 WeakPolarHBondContact O-CA 3.33Å; I704-V744 HydrophobicContact CB-CG1 4.5Å; I704-V744 HydrophobicContact CG1-CG1 4.16Å; I704-V744 HydrophobicContact CG2-CG1 4.28Å; V744-V787 HydrophobicContact CG2-CG2 3.96Å
745	C	98.6	Very high	97.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.2	177	-174.9	0	0	0	0	111	I252 L673 I702 T703 I739	I252-C745 HydrophobicContact CD1-CB 4.23Å; L673-C745 HydrophobicContact CB-CB 4.18Å; L673-C745 HydrophobicContact CD2-CB 4.3Å; L673-C745 HydrophobicContact CG-CB 4.5Å; L673-C745 WeakPolarHBondContact O-CA 3.49Å; I702-C745 CarbonylContact C-O 3.58Å; I702-C745 WeakPolarHBondContact CA-O 3.42Å; T703-C745 PolarHBondContact N-O 3.04Å; T703-C745 PolarHBondContact O-N 2.94Å; T703-C745 VanDerWaalsContact O-N 3.1Å; I739-C745 HydrophobicContact CD1-CB 3.78Å
746	V	98.6	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.7	166.1	-176.8	0	0	0	0	106.6	L672 L673 T674 E700 I702 I729 T731 A764	L672-V746 HydrophobicContact CD1-CB 4.03Å; L672-V746 HydrophobicContact CD1-CG2 3.83Å; L673-V746 PolarHBondContact O-N 3.12Å; T674-V746 WeakPolarHBondContact CA-O 3.36Å; E700-V746 HydrophobicContact CG-CG1 4.16Å; I702-V746 HydrophobicContact CB-CG2 3.87Å; I702-V746 HydrophobicContact CD1-CG2 4Å; I702-V746 HydrophobicContact CG1-CG2 3.8Å; I729-V746 HydrophobicContact CD1-CG1 4.36Å; T731-V746 HydrophobicContact CG2-CG1 4.16Å; T731-V746 HydrophobicContact CG2-CG2 4.1Å; V746-A764 HydrophobicContact CB-CB 4.1Å; V746-A764 HydrophobicContact CG1-CB 3.97Å
747	H	98	Very high	96.5	Very high	40 Å²	40	33 Å²	33	19%	0.185	18%	0.178	C	C	.	.			trans	-63.3	144.2	-176.3	-67.6	-81.1	0	0	0	111.6	A675 H676 P677	A675-H747 VanDerWaalsContact O-CA 3.22Å; A675-H747 WeakPolarHBondContact O-CA 3.46Å; A675-H747 WeakPolarHBondContact O-CB 3.46Å; A675-H747 PolarHBondContact O-ND1 2.65Å; A675-H747 VanDerWaalsContact O-ND1 3.15Å; H676-H747 PolarHBondContact O-ND1 2.94Å; H676-H747 VanDerWaalsContact O-ND1 3.09Å; P677-H747 HydrophobicContact CB-CB 4.08Å
748	E	97.8	Very high	96.5	Very high	14 Å²	14	30 Å²	30	7%	0.065	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	164.4	171.8	66.6	81.5	-168.9	0	0	111.5	A675 H676 P677 R680 H682	A675-E748 PolarHBondContact O-N 3.13Å; A675-E748 VanDerWaalsContact O-N 3.08Å; H676-E748 IonicContact CE1-OE1 2.62Å; H676-E748 PolarHBondContact CE1-OE1 3.06Å; H676-E748 IonicContact CG-OE1 3.22Å; H676-E748 IonicContact ND1-OE1 2.77Å; H676-E748 PolarHBondContact ND1-OE1 3.37Å; P677-E748 VanDerWaalsContact CD-OE1 3.29Å; P677-E748 WeakPolarHBondContact CD-OE1 3.24Å; R680-E748 PolarHBondContact NH2-O 3.09Å; H682-E748 WeakPolarHBondContact CA-OE1 3.48Å; H682-E748 IonicContact CE1-OE1 3.71Å; H682-E748 IonicContact CG-OE1 3.7Å; H682-E748 IonicContact ND1-OE1 2.67Å; H682-E748 PolarHBondContact ND1-OE1 3.02Å; H682-E748 IonicContact ND1-OE2 3.84Å
749	G	97.4	Very high	96.5	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.031	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-15.3	172	0	0	0	0	0	115.6	H682 S683 W751	H682-G749 WeakPolarHBondContact O-CA 3.49Å; S683-G749 WeakPolarHBondContact CA-O 3.46Å; S683-G749 WeakPolarHBondContact CB-O 3.29Å; G749-W751 PolarHBondContact O-N 3.28Å
750	A	98.2	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-60.8	128.5	174.8	0	0	0	0	0	110.4	N686 E700 P752 S763	N686-A750 WeakPolarHBondContact OD1-CA 3.47Å; E700-A750 HydrophobicContact CB-CB 4.02Å; E700-A750 HydrophobicContact CG-CB 4.01Å; A750-P752 WeakPolarHBondContact O-CD 3.41Å; A750-S763 WeakPolarHBondContact O-CB 3.32Å; A750-S763 PolarHBondContact O-OG 2.84Å
751	W	97.7	Very high	96.5	Very high	5 Å²	5	28 Å²	28	2%	0.019	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-63.4	123.7	179.5	-76.1	25.4	0	0	0	109.3	A83 Y491 W492 T493 S683 N686 Y687 G749 D753 N761 A801 F802	A83-W751 HydrophobicContact CB-CH2 4.35Å; A83-W751 HydrophobicContact CB-CZ3 4.4Å; Y491-W751 HydrophobicContact CG-CH2 4.49Å; W492-W751 WeakPolarHBondContact O-CZ3 3.3Å; T493-W751 HydrophobicContact CG2-CH2 3.93Å; T493-W751 HydrophobicContact CG2-CZ2 3.81Å; S683-W751 PolarHBondContact O-NE1 3.25Å; N686-W751 HydrophobicContact CB-CG 4.25Å; N686-W751 PolarHBondContact OD1-N 2.96Å; Y687-W751 AromaticContact CD1-CH2 3.8Å; Y687-W751 HydrophobicContact CD1-CH2 3.8Å; Y687-W751 AromaticContact CD1-CZ2 3.7Å; Y687-W751 HydrophobicContact CD1-CZ2 3.7Å; Y687-W751 HydrophobicContact CE1-CH2 4.3Å; Y687-W751 HydrophobicContact CE1-CZ2 4.06Å; G749-W751 PolarHBondContact O-N 3.28Å; W751-D753 PolarHBondContact O-N 2.81Å; W751-N761 PolarHBondContact N-ND2 3.46Å; W751-N761 WeakPolarHBondContact O-CB 3.46Å; W751-N761 PolarHBondContact O-ND2 3Å; W751-A801 HydrophobicContact CB-CB 4.15Å; W751-F802 HydrophobicContact CB-CE1 4.35Å; W751-F802 HydrophobicContact CD2-CD1 4.34Å; W751-F802 HydrophobicContact CD2-CE1 4.34Å; W751-F802 HydrophobicContact CE3-CD1 4.03Å; W751-F802 HydrophobicContact CE3-CE1 4.45Å; W751-F802 HydrophobicContact CG-CE1 4.32Å; W751-F802 HydrophobicContact CZ3-CD1 4.45Å
752	P	97	Very high	96.5	Very high	13 Å²	13	23 Å²	23	8%	0.084	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-58.2	133.1	174.4	-20.8	29.2	0	0	0	111.2	F466 T472 A494 A750	F466-P752 HydrophobicContact CB-CG 4.41Å; F466-P752 VanDerWaalsContact O-CG 3.24Å; F466-P752 WeakPolarHBondContact O-CG 3.42Å; T472-P752 HydrophobicContact CG2-CB 4.4Å; T472-P752 HydrophobicContact CG2-CG 4.3Å; A494-P752 HydrophobicContact CB-CB 4.2Å; A494-P752 HydrophobicContact CB-CG 4.09Å; A750-P752 WeakPolarHBondContact O-CD 3.41Å
753	D	96.7	Very high	96.5	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.08	12%	0.124	C	C	.	.			trans	-138.1	82.7	178.1	-174.6	21	0	0	0	107.7	W751 C759 K760 N761 L799 T800 A801	W751-D753 PolarHBondContact O-N 2.81Å; D753-C759 CarbonylContact O-C 3.51Å; D753-C759 WeakPolarHBondContact O-CA 3.37Å; D753-K760 HydrophobicContact CB-CB 4.39Å; D753-K760 PolarHBondContact O-N 3.3Å; D753-K760 WeakPolarHBondContact OD1-CE 3.47Å; D753-K760 IonicContact OD1-NZ 3.04Å; D753-K760 WeakPolarHBondContact OD2-CE 3.4Å; D753-K760 IonicContact OD2-NZ 3.83Å; D753-N761 HydrophobicContact CB-CB 4.2Å; D753-L799 HydrophobicContact CB-CD1 4.48Å; D753-L799 WeakPolarHBondContact OD2-CD1 3.34Å; D753-T800 PolarHBondContact OD1-OG1 3.16Å; D753-T800 PolarHBondContact OD2-N 3.35Å; D753-T800 PolarHBondContact OD2-OG1 2.9Å; D753-A801 HydrophobicContact CB-CB 3.78Å; D753-A801 VanDerWaalsContact CG-N 3.31Å; D753-A801 PolarHBondContact OD2-N 2.96Å
754	L	93.9	Very high	96.5	Very high	56 Å²	56	22.5 Å²	22.5	29%	0.293	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.9	-166.8	-66.9	166.5	0	0	0	110.7	T472 I476 L758 C759 V766	T472-L754 HydrophobicContact CG2-CD1 4.31Å; I476-L754 HydrophobicContact CD1-CD1 3.15Å; L754-L758 WeakPolarHBondContact CA-O 3.03Å; L754-C759 HydrophobicContact CD2-CB 3.7Å; L754-V766 HydrophobicContact CD2-CG2 4.22Å
755	E	91.4	Very high	96.5	Very high	96 Å²	96	23 Å²	23	45%	0.449	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.5	174.2	-173.7	176.1	166.4	0	0	108	G757 L758 K760	E755-G757 PolarHBondContact O-N 3.25Å; E755-G757 VanDerWaalsContact O-N 3.14Å; E755-L758 PolarHBondContact N-O 2.77Å; E755-L758 PolarHBondContact O-N 3.25Å; E755-K760 HydrophobicContact CB-CD 4.24Å; E755-K760 WeakPolarHBondContact OE2-CD 3.44Å; E755-K760 WeakPolarHBondContact OE2-CE 3.43Å; E755-K760 IonicContact OE2-NZ 2.8Å; E755-K760 PolarHBondContact OE2-NZ 3.01Å
756	N	88.2	Confident	96.5	Very high	159 Å²	159	23 Å²	23	85%	0.85	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	39	-177.8	-58	-45.3	0	0	0	113.9	L758	N756-L758 VanDerWaalsContact C-N 3.28Å; N756-L758 PolarHBondContact O-N 3.45Å
757	G	89.4	Confident	96.5	Very high	35 Å²	35	23 Å²	23	36%	0.361	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-1.1	-179.4	0	0	0	0	0	115.6	Q728 E755	Q728-G757 WeakPolarHBondContact CG-O 3.45Å; E755-G757 PolarHBondContact O-N 3.25Å; E755-G757 VanDerWaalsContact O-N 3.14Å
758	L	96.7	Very high	96.5	Very high	24 Å²	24	21 Å²	21	13%	0.126	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.9	173.9	-179.8	66.7	0	0	0	111.1	Q728 L730 L754 E755 N756	Q728-L758 HydrophobicContact CB-CD1 4.12Å; Q728-L758 HydrophobicContact CG-CB 4.26Å; Q728-L758 HydrophobicContact CG-CD1 3.72Å; L730-L758 HydrophobicContact CD1-CD2 4.04Å; L730-L758 HydrophobicContact CD2-CD1 4.19Å; L730-L758 HydrophobicContact CD2-CD2 4.42Å; L730-L758 HydrophobicContact CG-CD1 4.01Å; L730-L758 HydrophobicContact CG-CD2 4.07Å; L730-L758 HydrophobicContact CG-CG 4.25Å; L754-L758 WeakPolarHBondContact CA-O 3.03Å; E755-L758 PolarHBondContact N-O 2.77Å; E755-L758 PolarHBondContact O-N 3.25Å; N756-L758 VanDerWaalsContact C-N 3.28Å; N756-L758 PolarHBondContact O-N 3.45Å
759	C	98.2	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.6	169.9	-173.4	0	0	0	0	110.6	Q728 I729 L730 D753 L754 N761 S763 V766	Q728-C759 PolarHBondContact O-N 2.74Å; I729-C759 CarbonylContact C-O 3.6Å; I729-C759 WeakPolarHBondContact CA-O 3.39Å; I729-C759 HydrophobicContact CB-CB 4.04Å; I729-C759 HydrophobicContact CG2-CB 3.68Å; L730-C759 PolarHBondContact N-O 2.78Å; D753-C759 CarbonylContact O-C 3.51Å; D753-C759 WeakPolarHBondContact O-CA 3.37Å; L754-C759 HydrophobicContact CD2-CB 3.7Å; C759-N761 PolarHBondContact O-N 3.01Å; C759-S763 PolarHBondContact SG-N 2.91Å; C759-S763 VanDerWaalsContact SG-N 3.45Å; C759-V766 HydrophobicContact CB-CG2 4.12Å
760	K	98.1	Very high	96.5	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.043	12%	0.122	C	C	.	.	S	Bend	trans	-73.1	-24.8	-175.7	-59	-176.2	-69.8	-173.9	0	114.3	R699 D753 E755 P797 K798 T800	R699-K760 WeakPolarHBondContact CG-O 3.4Å; D753-K760 HydrophobicContact CB-CB 4.39Å; D753-K760 PolarHBondContact O-N 3.3Å; D753-K760 WeakPolarHBondContact OD1-CE 3.47Å; D753-K760 IonicContact OD1-NZ 3.04Å; D753-K760 WeakPolarHBondContact OD2-CE 3.4Å; D753-K760 IonicContact OD2-NZ 3.83Å; E755-K760 HydrophobicContact CB-CD 4.24Å; E755-K760 WeakPolarHBondContact OE2-CD 3.44Å; E755-K760 WeakPolarHBondContact OE2-CE 3.43Å; E755-K760 IonicContact OE2-NZ 2.8Å; E755-K760 PolarHBondContact OE2-NZ 3.01Å; K760-P797 HydrophobicContact CB-CG 4.4Å; K760-P797 HydrophobicContact CD-CB 3.7Å; K760-P797 HydrophobicContact CD-CG 3.9Å; K760-P797 HydrophobicContact CG-CB 4.2Å; K760-P797 HydrophobicContact CG-CG 3.81Å; K760-K798 WeakPolarHBondContact CD-O 3.41Å; K760-K798 WeakPolarHBondContact CE-O 3.29Å; K760-K798 PolarHBondContact NZ-O 3.26Å; K760-T800 WeakPolarHBondContact CE-OG1 3.4Å; K760-T800 PolarHBondContact NZ-OG1 3.28Å
761	N	97.9	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-96	-21	-173.8	-162.6	26.1	0	0	0	115.2	N686 R691 E700 L730 W751 D753 C759 L799 A801	N686-N761 PolarHBondContact OD1-ND2 3.3Å; R691-N761 PolarHBondContact NH2-OD1 2.67Å; R691-N761 VanDerWaalsContact NH2-OD1 3.11Å; E700-N761 VanDerWaalsContact CB-O 3.23Å; E700-N761 WeakPolarHBondContact CB-O 3.49Å; E700-N761 PolarHBondContact N-O 3.41Å; L730-N761 CarbonylContact O-C 3.52Å; W751-N761 PolarHBondContact N-ND2 3.46Å; W751-N761 WeakPolarHBondContact O-CB 3.46Å; W751-N761 PolarHBondContact O-ND2 3Å; D753-N761 HydrophobicContact CB-CB 4.2Å; C759-N761 PolarHBondContact O-N 3.01Å; N761-L799 HydrophobicContact CB-CD1 3.44Å; N761-L799 VanDerWaalsContact CB-CD1 3.44Å; N761-A801 HydrophobicContact CB-CB 4.46Å
762	G	98.2	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.			trans	98.7	36.8	-176.6	0	0	0	0	0	116.2	L730 A764	L730-G762 WeakPolarHBondContact O-CA 3.34Å; L730-G762 PolarHBondContact O-N 3.06Å; L730-G762 VanDerWaalsContact O-N 3.15Å; G762-A764 PolarHBondContact O-N 3.45Å; G762-A764 VanDerWaalsContact O-N 3.08Å
763	S	98.2	Very high	96.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	15%	0.145	C	C	.	.			trans	-69.4	102.7	175.2	-179.4	0	0	0	0	111.9	I729 A750 C759 N765 V766	I729-S763 WeakPolarHBondContact CG2-O 3.26Å; A750-S763 WeakPolarHBondContact O-CB 3.32Å; A750-S763 PolarHBondContact O-OG 2.84Å; C759-S763 PolarHBondContact SG-N 2.91Å; C759-S763 VanDerWaalsContact SG-N 3.45Å; S763-N765 PolarHBondContact O-N 3.45Å; S763-N765 VanDerWaalsContact O-N 3.16Å; S763-V766 WeakPolarHBondContact O-CB 3.5Å; S763-V766 VanDerWaalsContact O-CG2 3.32Å; S763-V766 WeakPolarHBondContact O-CG2 3.48Å; S763-V766 PolarHBondContact O-N 3.1Å; S763-V766 VanDerWaalsContact O-N 3.13Å
764	A	98.3	Very high	96.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-57	-33.1	-174.5	0	0	0	0	0	114.3	T674 V746 G762 V766 L767	T674-A764 HydrophobicContact CG2-CB 3.68Å; V746-A764 HydrophobicContact CB-CB 4.1Å; V746-A764 HydrophobicContact CG1-CB 3.97Å; G762-A764 PolarHBondContact O-N 3.45Å; G762-A764 VanDerWaalsContact O-N 3.08Å; A764-V766 PolarHBondContact O-N 3.46Å; A764-V766 VanDerWaalsContact O-N 3.13Å; A764-L767 WeakPolarHBondContact O-CB 3.34Å; A764-L767 PolarHBondContact O-N 2.96Å
765	N	98.4	Very high	96.8	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.048	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-68.2	-11.1	-178	-82.8	-40.8	0	0	0	114.2	T467 H469 Q470 D471 T472 S763 L767 T768	T467-N765 PolarHBondContact O-ND2 3.09Å; H469-N765 VanDerWaalsContact O-CB 3.31Å; H469-N765 WeakPolarHBondContact O-CB 3.36Å; Q470-N765 PolarHBondContact NE2-OD1 2.98Å; D471-N765 WeakPolarHBondContact CA-O 3.39Å; D471-N765 PolarHBondContact N-O 3.24Å; T472-N765 PolarHBondContact N-O 3.34Å; S763-N765 PolarHBondContact O-N 3.45Å; S763-N765 VanDerWaalsContact O-N 3.16Å; N765-L767 PolarHBondContact O-N 2.94Å; N765-T768 WeakPolarHBondContact CA-OG1 3.47Å; N765-T768 PolarHBondContact O-OG1 3.43Å; N765-T768 VanDerWaalsContact O-OG1 3.08Å; N765-T768 PolarHBondContact OD1-OG1 3.28Å; N765-T768 VanDerWaalsContact OD1-OG1 3.09Å
766	V	98.4	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-60.2	-26.5	166.4	174.3	0	0	0	0	111.3	T472 I729 L754 C759 S763 A764	T472-V766 HydrophobicContact CG2-CG2 4.42Å; T472-V766 PolarHBondContact OG1-N 3.36Å; I729-V766 HydrophobicContact CG2-CB 3.71Å; I729-V766 HydrophobicContact CG2-CG1 3.9Å; I729-V766 HydrophobicContact CG2-CG2 4.18Å; L754-V766 HydrophobicContact CD2-CG2 4.22Å; C759-V766 HydrophobicContact CB-CG2 4.12Å; S763-V766 WeakPolarHBondContact O-CB 3.5Å; S763-V766 VanDerWaalsContact O-CG2 3.32Å; S763-V766 WeakPolarHBondContact O-CG2 3.48Å; S763-V766 PolarHBondContact O-N 3.1Å; S763-V766 VanDerWaalsContact O-N 3.13Å; A764-V766 PolarHBondContact O-N 3.46Å; A764-V766 VanDerWaalsContact O-N 3.13Å
767	L	98.6	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-16.5	-174.6	-55.5	176.7	0	0	0	113.8	L672 V722 N724 R726 G727 I729 A764 N765 V787	L672-L767 HydrophobicContact CD2-CB 3.92Å; L672-L767 HydrophobicContact CD2-CD1 3.85Å; V722-L767 HydrophobicContact CB-CD1 4.01Å; V722-L767 HydrophobicContact CG1-CD1 3.5Å; V722-L767 VanDerWaalsContact CG1-CD1 3.5Å; N724-L767 PolarHBondContact ND2-O 2.94Å; R726-L767 VanDerWaalsContact CZ-O 3.24Å; R726-L767 PolarHBondContact NE-O 3.01Å; R726-L767 PolarHBondContact NH2-O 3.4Å; G727-L767 VanDerWaalsContact O-CD2 3.23Å; G727-L767 WeakPolarHBondContact O-CD2 3.21Å; I729-L767 HydrophobicContact CD1-CD1 3.64Å; I729-L767 HydrophobicContact CD1-CG 4.36Å; I729-L767 HydrophobicContact CG1-CD1 3.91Å; I729-L767 HydrophobicContact CG2-CD1 4.46Å; I729-L767 HydrophobicContact CG2-CD2 4.39Å; I729-L767 HydrophobicContact CG2-CG 4.18Å; A764-L767 WeakPolarHBondContact O-CB 3.34Å; A764-L767 PolarHBondContact O-N 2.96Å; N765-L767 PolarHBondContact O-N 2.94Å; L767-V787 HydrophobicContact CB-CG1 4.31Å; L767-V787 HydrophobicContact CD1-CG1 4.04Å
768	T	98.2	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-82.3	150.2	-175.6	58.3	0	0	0	0	112	Q470 D471 T674 R726 N765 G782	Q470-T768 WeakPolarHBondContact CA-OG1 3.36Å; Q470-T768 WeakPolarHBondContact CB-OG1 3.41Å; Q470-T768 WeakPolarHBondContact CG-OG1 3.46Å; D471-T768 WeakPolarHBondContact CA-O 3.34Å; D471-T768 PolarHBondContact N-O 2.94Å; T674-T768 HydrophobicContact CG2-CG2 4.03Å; R726-T768 WeakPolarHBondContact CD-O 3.37Å; R726-T768 PolarHBondContact NE-O 3.46Å; N765-T768 WeakPolarHBondContact CA-OG1 3.47Å; N765-T768 PolarHBondContact O-OG1 3.43Å; N765-T768 VanDerWaalsContact O-OG1 3.08Å; N765-T768 PolarHBondContact OD1-OG1 3.28Å; N765-T768 VanDerWaalsContact OD1-OG1 3.09Å; T768-G782 VanDerWaalsContact CG2-O 3.23Å; T768-G782 WeakPolarHBondContact CG2-O 3.26Å
769	A	97.5	Very high	98	Very high	15 Å²	15	11.8 Å²	11.8	12%	0.124	7%	0.066	C	C	.	.			trans	-82.2	135.6	176.8	0	0	0	0	0	111.9	Q470 I771	Q470-A769 WeakPolarHBondContact CB-O 3.05Å; Q470-A769 WeakPolarHBondContact CG-O 3.31Å; A769-I771 HydrophobicContact CB-CG1 4.47Å; A769-I771 HydrophobicContact CB-CG2 4.3Å; A769-I771 PolarHBondContact O-N 2.97Å
770	D	97.8	Very high	98	Very high	12 Å²	12	12 Å²	12	6%	0.064	7%	0.067	C	C	.	.			trans	-90.2	87.7	168.8	176.6	25.6	0	0	0	110	R431 H469 Q470 D471 R474	R431-D770 IonicContact NH2-OD1 2.72Å; R431-D770 PolarHBondContact NH2-OD1 3.1Å; H469-D770 IonicContact NE2-OD1 2.76Å; H469-D770 IonicContact NE2-OD2 3.22Å; H469-D770 PolarHBondContact NE2-OD2 3.07Å; Q470-D770 HydrophobicContact CB-CB 3.9Å; D471-D770 HydrophobicContact CB-CB 4.05Å; R474-D770 IonicContact CZ-OD2 2.65Å; R474-D770 PolarHBondContact NH1-O 3.47Å; R474-D770 IonicContact NH1-OD2 2.89Å; R474-D770 PolarHBondContact NH1-OD2 2.86Å
771	I	96.9	Very high	97.9	Very high	53 Å²	53	11.7 Å²	11.7	27%	0.272	7%	0.067	S	C	.	.			trans	-130.4	157.6	177.5	62.8	174.8	0	0	0	110	Q359 R431 A769 A781	Q359-I771 HydrophobicContact CB-CD1 4.4Å; Q359-I771 HydrophobicContact CG-CD1 4.25Å; R431-I771 PolarHBondContact NH2-O 2.97Å; R431-I771 VanDerWaalsContact NH2-O 3.1Å; A769-I771 HydrophobicContact CB-CG1 4.47Å; A769-I771 HydrophobicContact CB-CG2 4.3Å; A769-I771 PolarHBondContact O-N 2.97Å; I771-A781 HydrophobicContact CD1-CB 4.36Å; I771-A781 HydrophobicContact CG1-CB 3.81Å
772	P	97.4	Very high	97.7	Very high	47 Å²	47	11.9 Å²	11.9	31%	0.305	7%	0.068	S	C	.	.	B	Isolated β-bridge	trans	-70.6	153.1	169.2	30.6	-35.1	0	0	0	111.8	N778	P772-N778 HydrophobicContact CB-CB 4.45Å
773	S	98.3	Very high	97.4	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	7%	0.07	C	C	.	.	S	Bend	trans	-59	-49	166.4	55.2	0	0	0	0	111.5	Y360 E362 A779	Y360-S773 WeakPolarHBondContact CA-O 3.45Å; Y360-S773 PolarHBondContact N-O 3.3Å; E362-S773 WeakPolarHBondContact OE1-CB 3.26Å; E362-S773 PolarHBondContact OE1-OG 3.01Å; S773-A779 PolarHBondContact N-O 3.22Å; S773-A779 WeakPolarHBondContact OG-CB 3.34Å; S773-A779 PolarHBondContact OG-N 2.94Å; S773-A779 VanDerWaalsContact OG-N 3.14Å
774	S	98.5	Very high	97.1	Very high	1 Å²	1	13 Å²	13	1%	0.007	8%	0.076	C	C	.	.			trans	-164.9	175.4	171.4	73.5	0	0	0	0	109.4	E362 D648 L776 N778	E362-S774 WeakPolarHBondContact OE1-CB 3.23Å; E362-S774 PolarHBondContact OE1-N 3.02Å; E362-S774 PolarHBondContact OE1-OG 3.25Å; E362-S774 PolarHBondContact OE2-OG 3.08Å; D648-S774 WeakPolarHBondContact O-CB 3.25Å; D648-S774 VanDerWaalsContact OD2-CA 3.22Å; D648-S774 WeakPolarHBondContact OD2-CA 3.35Å; S774-L776 PolarHBondContact O-N 2.97Å; S774-L776 WeakPolarHBondContact OG-CB 3.32Å; S774-L776 PolarHBondContact OG-N 3.4Å; S774-N778 PolarHBondContact O-N 3.42Å
775	Q	97.6	Very high	97.1	Very high	77 Å²	77	13 Å²	13	36%	0.36	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.3	168.9	-67	-175.2	-88.6	0	0	112.9	Q444 Y646 D648 N778	Q444-Q775 HydrophobicContact CB-CB 4.28Å; Y646-Q775 HydrophobicContact CD1-CB 4.08Å; Y646-Q775 HydrophobicContact CD2-CB 4.03Å; Y646-Q775 HydrophobicContact CE1-CB 4.32Å; Y646-Q775 HydrophobicContact CE2-CB 4.26Å; Y646-Q775 HydrophobicContact CG-CB 3.94Å; D648-Q775 PolarHBondContact OD1-N 3.48Å; D648-Q775 WeakPolarHBondContact OD2-CG 3.21Å; D648-Q775 PolarHBondContact OD2-N 2.94Å; Q775-N778 PolarHBondContact O-ND2 2.78Å
776	L	98.4	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-60	179.7	-172.1	70.6	0	0	0	110.8	V182 I183 E362 N446 L641 F644 Y646 C649 S774	V182-L776 HydrophobicContact CG1-CD2 4.42Å; V182-L776 HydrophobicContact CG1-CG 4.03Å; I183-L776 HydrophobicContact CB-CD2 4.43Å; I183-L776 HydrophobicContact CD1-CD2 3.8Å; E362-L776 HydrophobicContact CG-CD2 4.23Å; N446-L776 WeakPolarHBondContact CA-O 2.93Å; N446-L776 PolarHBondContact N-O 2.99Å; L641-L776 HydrophobicContact CD2-CD1 3.53Å; L641-L776 HydrophobicContact CD2-CD2 3.93Å; L641-L776 HydrophobicContact CD2-CG 4.42Å; F644-L776 HydrophobicContact CD2-CD1 3.97Å; F644-L776 HydrophobicContact CE2-CD1 4.03Å; Y646-L776 HydrophobicContact CD2-CB 4.4Å; Y646-L776 HydrophobicContact CD2-CD1 4.39Å; Y646-L776 HydrophobicContact CE2-CD1 4.32Å; C649-L776 HydrophobicContact CB-CB 3.95Å; C649-L776 VanDerWaalsContact SG-CD2 3.56Å; S774-L776 PolarHBondContact O-N 2.97Å; S774-L776 WeakPolarHBondContact OG-CB 3.32Å; S774-L776 PolarHBondContact OG-N 3.4Å
777	A	97.9	Very high	97.1	Very high	4 Å²	4	13 Å²	13	3%	0.033	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-26.7	-171	0	0	0	0	0	114.5	A179 V182 E362 H445 A779	A179-A777 HydrophobicContact CB-CB 4.33Å; V182-A777 HydrophobicContact CB-CB 3.76Å; V182-A777 HydrophobicContact CG1-CB 4.06Å; V182-A777 HydrophobicContact CG2-CB 3.86Å; E362-A777 HydrophobicContact CG-CB 4.21Å; E362-A777 WeakPolarHBondContact OE1-CB 3.38Å; E362-A777 PolarHBondContact OE1-N 2.87Å; H445-A777 PolarHBondContact CE1-O 2.94Å; H445-A777 PolarHBondContact ND1-O 3.49Å; A777-A779 HydrophobicContact CB-CB 4.23Å; A777-A779 PolarHBondContact O-N 2.99Å
778	N	97.8	Very high	97.1	Very high	11 Å²	11	15.8 Å²	15.8	6%	0.059	9%	0.086	C	C	.	.			trans	48	40.3	-167.8	-71.8	-99.2	0	0	0	112.4	P428 R431 Q444 P772 S774 Q775	P428-N778 HydrophobicContact CB-CB 3.78Å; P428-N778 HydrophobicContact CG-CB 3.8Å; R431-N778 HydrophobicContact CG-CB 4.02Å; R431-N778 PolarHBondContact NH1-O 2.77Å; Q444-N778 PolarHBondContact O-ND2 3.11Å; P772-N778 HydrophobicContact CB-CB 4.45Å; S774-N778 PolarHBondContact O-N 3.42Å; Q775-N778 PolarHBondContact O-ND2 2.78Å
779	A	97.9	Very high	97.1	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.033	9%	0.088	C	C	.	.			trans	-78.8	177	178.9	0	0	0	0	0	111.8	A179 R431 S773 A777	A179-A779 HydrophobicContact CB-CB 3.92Å; R431-A779 PolarHBondContact NH1-O 3.39Å; S773-A779 PolarHBondContact N-O 3.22Å; S773-A779 WeakPolarHBondContact OG-CB 3.34Å; S773-A779 PolarHBondContact OG-N 2.94Å; S773-A779 VanDerWaalsContact OG-N 3.14Å; A777-A779 HydrophobicContact CB-CB 4.23Å; A777-A779 PolarHBondContact O-N 2.99Å
780	C	97.1	Very high	97.2	Very high	4 Å²	4	19 Å²	19	3%	0.027	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-74.4	144.8	170.6	70	0	0	0	0	111.1	Y175 R357 A430	Y175-C780 HydrophobicContact CD1-CB 3.66Å; Y175-C780 HydrophobicContact CE1-CB 3.9Å; Y175-C780 PolarHBondContact O-SG 2.86Å; Y175-C780 VanDerWaalsContact O-SG 3.39Å; R357-C780 CarbonylContact C-O 3.56Å; R357-C780 WeakPolarHBondContact CA-O 3.4Å; A430-C780 HydrophobicContact CB-CB 4Å
781	A	96.6	Very high	97.2	Very high	5 Å²	5	22.8 Å²	22.8	4%	0.041	12%	0.115	C	C	.	.			trans	-122.7	35	177.2	0	0	0	0	0	111.9	R357 I771 N783	R357-A781 CarbonylContact O-C 3.59Å; R357-A781 WeakPolarHBondContact O-CA 3.1Å; I771-A781 HydrophobicContact CD1-CB 4.36Å; I771-A781 HydrophobicContact CG1-CB 3.81Å; A781-N783 PolarHBondContact O-N 3.22Å
782	G	93.5	Very high	97.2	Very high	3 Å²	3	23 Å²	23	3%	0.031	11%	0.113	C	C	.	.			trans	-79.4	-6.2	-169.4	0	0	0	0	0	117	R357 T674 T768 S784	R357-G782 PolarHBondContact O-N 2.84Å; T674-G782 PolarHBondContact OG1-O 2.98Å; T768-G782 VanDerWaalsContact CG2-O 3.23Å; T768-G782 WeakPolarHBondContact CG2-O 3.26Å; G782-S784 VanDerWaalsContact C-N 3.29Å; G782-S784 PolarHBondContact O-N 3.34Å
783	N	93.4	Very high	97.1	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.043	14%	0.137	C	C	.	.	S	Bend	trans	-91.1	30.4	-177.7	-71.9	0.4	0	0	0	113.7	M271 G354 R357 Q358 T674 A781	M271-N783 WeakPolarHBondContact CE-O 3.48Å; G354-N783 PolarHBondContact O-ND2 2.82Å; R357-N783 HydrophobicContact CB-CB 4.26Å; R357-N783 PolarHBondContact NE-ND2 3.38Å; R357-N783 PolarHBondContact NH2-ND2 2.78Å; R357-N783 VanDerWaalsContact O-CB 3.3Å; R357-N783 WeakPolarHBondContact O-CB 3.38Å; R357-N783 PolarHBondContact O-N 2.94Å; Q358-N783 HydrophobicContact CG-CB 3.91Å; Q358-N783 PolarHBondContact NE2-O 2.79Å; T674-N783 WeakPolarHBondContact OG1-CA 3.46Å; T674-N783 PolarHBondContact OG1-OD1 2.82Å; A781-N783 PolarHBondContact O-N 3.22Å
784	S	90.6	Very high	96.8	Very high	18 Å²	18	28.9 Å²	28.9	13%	0.126	16%	0.155	C	C	.	.			trans	-158.1	136.9	167.6	-168.2	0	0	0	0	109.8	E660 G782	E660-S784 PolarHBondContact O-OG 2.86Å; G782-S784 VanDerWaalsContact C-N 3.29Å; G782-S784 PolarHBondContact O-N 3.34Å
785	A	97.7	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.			trans	-152	158.6	164.2	0	0	0	0	0	109.7	E660 Q671 L672	E660-A785 VanDerWaalsContact OE2-CA 3.29Å; E660-A785 WeakPolarHBondContact OE2-CA 3.39Å; Q671-A785 CarbonylContact C-O 3.49Å; Q671-A785 WeakPolarHBondContact CA-O 3.28Å; L672-A785 HydrophobicContact CB-CB 4.24Å; L672-A785 HydrophobicContact CD2-CB 4.43Å; L672-A785 PolarHBondContact N-O 2.95Å
786	L	98.5	Very high	96.3	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.1	166.3	-64.7	175.4	0	0	0	110.4	E660 A665 L670 Q671 N724	E660-L786 HydrophobicContact CB-CD1 4.24Å; E660-L786 HydrophobicContact CB-CG 4Å; E660-L786 HydrophobicContact CG-CD1 4.36Å; E660-L786 HydrophobicContact CG-CG 4.38Å; E660-L786 PolarHBondContact OE2-N 3.49Å; E660-L786 VanDerWaalsContact OE2-N 3.1Å; A665-L786 HydrophobicContact CB-CD1 4Å; A665-L786 HydrophobicContact CB-CD2 3.68Å; A665-L786 HydrophobicContact CB-CG 4.47Å; L670-L786 WeakPolarHBondContact O-CA 3.12Å; Q671-L786 HydrophobicContact CG-CD2 3.9Å; N724-L786 WeakPolarHBondContact CB-O 3.38Å; N724-L786 PolarHBondContact ND2-O 3.36Å; N724-L786 VanDerWaalsContact ND2-O 3.1Å
787	V	98.8	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.1	-174.9	-60.7	0	0	0	0	112.1	Q669 L670 L672 V722 V744 L767	Q669-V787 WeakPolarHBondContact CA-O 3.13Å; L670-V787 HydrophobicContact CB-CG2 4.37Å; L670-V787 PolarHBondContact N-O 3.24Å; L670-V787 PolarHBondContact O-N 2.9Å; L672-V787 HydrophobicContact CB-CG1 4Å; L672-V787 HydrophobicContact CB-CG2 4.12Å; L672-V787 HydrophobicContact CD2-CG1 4.06Å; V722-V787 HydrophobicContact CG1-CB 3.86Å; V722-V787 HydrophobicContact CG1-CG1 4.15Å; V722-V787 HydrophobicContact CG1-CG2 3.87Å; V744-V787 HydrophobicContact CG2-CG2 3.96Å; L767-V787 HydrophobicContact CB-CG1 4.31Å; L767-V787 HydrophobicContact CD1-CG1 4.04Å
788	Y	98.8	Very high	96.1	Very high	57 Å²	57	43.9 Å²	43.9	22%	0.224	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	151.8	162.9	-56.8	-82.6	0	0	0	109.4	D666 K668 Q669 V722 W723	D666-Y788 WeakPolarHBondContact OD2-CE1 3.45Å; D666-Y788 PolarHBondContact OD2-OH 2.56Å; K668-Y788 HydrophobicContact CB-CD1 4.02Å; K668-Y788 HydrophobicContact CB-CE1 3.99Å; Q669-Y788 HydrophobicContact CG-CD1 4.02Å; Q669-Y788 HydrophobicContact CG-CE1 3.46Å; Q669-Y788 VanDerWaalsContact CG-CE1 3.46Å; Q669-Y788 HydrophobicContact CG-CE2 4.1Å; Q669-Y788 PolarHBondContact NE2-OH 3.02Å; Q669-Y788 VanDerWaalsContact NE2-OH 3.13Å; V722-Y788 WeakPolarHBondContact CA-O 3.37Å; W723-Y788 HydrophobicContact CD2-CD2 4.16Å; W723-Y788 HydrophobicContact CE3-CD2 4.08Å; W723-Y788 AromaticContact CH2-CD2 3.72Å; W723-Y788 HydrophobicContact CH2-CD2 3.72Å; W723-Y788 HydrophobicContact CH2-CE2 4.12Å; W723-Y788 HydrophobicContact CH2-CG 4.22Å; W723-Y788 AromaticContact CZ2-CD2 3.82Å; W723-Y788 HydrophobicContact CZ2-CD2 3.82Å; W723-Y788 AromaticContact CZ2-CG 3.89Å; W723-Y788 HydrophobicContact CZ2-CG 3.89Å; W723-Y788 AromaticContact CZ3-CD2 3.85Å; W723-Y788 HydrophobicContact CZ3-CD2 3.85Å; W723-Y788 HydrophobicContact CZ3-CE2 4.22Å; W723-Y788 PolarHBondContact N-O 2.83Å; W723-Y788 PolarHBondContact O-N 2.95Å
789	I	98.7	Very high	96	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.3	172.6	66.2	172.8	0	0	0	110.6	L670 I702 I704 F712 I714 V720 R721 V722	L670-I789 HydrophobicContact CD1-CD1 3.49Å; L670-I789 VanDerWaalsContact CD1-CD1 3.49Å; L670-I789 HydrophobicContact CD1-CG1 3.79Å; L670-I789 HydrophobicContact CD1-CG2 4.34Å; I702-I789 HydrophobicContact CD1-CG2 4.13Å; I704-I789 HydrophobicContact CD1-CD1 4.05Å; I704-I789 HydrophobicContact CG2-CD1 4.16Å; F712-I789 HydrophobicContact CB-CD1 4.48Å; F712-I789 HydrophobicContact CB-CG1 4.29Å; F712-I789 HydrophobicContact CD1-CG1 4.42Å; F712-I789 HydrophobicContact CD2-CD1 3.72Å; F712-I789 HydrophobicContact CD2-CG1 3.65Å; F712-I789 HydrophobicContact CE2-CD1 4.3Å; F712-I789 HydrophobicContact CE2-CG1 4.07Å; F712-I789 HydrophobicContact CG-CD1 4.27Å; F712-I789 HydrophobicContact CG-CG1 3.87Å; I714-I789 HydrophobicContact CD1-CB 4.35Å; I714-I789 HydrophobicContact CD1-CD1 3.66Å; I714-I789 HydrophobicContact CD1-CG1 3.96Å; V720-I789 HydrophobicContact CG1-CB 4.03Å; V720-I789 HydrophobicContact CG1-CG2 4.47Å; R721-I789 WeakPolarHBondContact O-CA 3.38Å; V722-I789 HydrophobicContact CB-CG2 4.4Å; V722-I789 HydrophobicContact CG1-CG2 4.03Å; V722-I789 HydrophobicContact CG2-CG2 4.09Å
790	E	98.5	Very high	96	Very high	76 Å²	76	46 Å²	46	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.6	170.9	64.8	-175.8	-154.3	0	0	110.5	V720 R721 Y792	V720-E790 WeakPolarHBondContact CA-O 3.24Å; V720-E790 WeakPolarHBondContact CG1-O 3.45Å; R721-E790 HydrophobicContact CB-CG 4.05Å; R721-E790 IonicContact CZ-OE1 3.49Å; R721-E790 PolarHBondContact N-O 2.93Å; R721-E790 IonicContact NE-OE1 2.69Å; R721-E790 PolarHBondContact NE-OE1 2.86Å; R721-E790 IonicContact NH2-OE1 3.04Å; R721-E790 PolarHBondContact NH2-OE1 2.8Å; R721-E790 IonicContact NH2-OE2 2.86Å; R721-E790 PolarHBondContact NH2-OE2 3.08Å; R721-E790 PolarHBondContact O-N 2.97Å; E790-Y792 PolarHBondContact O-N 3.01Å
791	K	98.4	Very high	95.9	Very high	91 Å²	91	45.9 Å²	45.9	40%	0.396	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	125.7	168.4	-176.3	171.3	-175.2	145.7	0	109.6	I714 D718 T793	I714-K791 HydrophobicContact CG1-CB 4.35Å; D718-K791 WeakPolarHBondContact OD1-CE 3.5Å; D718-K791 IonicContact OD1-NZ 3.4Å; D718-K791 PolarHBondContact OD1-NZ 3.3Å; D718-K791 WeakPolarHBondContact OD2-CE 3.36Å; D718-K791 IonicContact OD2-NZ 3.66Å; D718-K791 PolarHBondContact OD2-NZ 3.15Å; K791-T793 PolarHBondContact O-N 2.98Å
792	Y	97.8	Very high	95.9	Very high	58 Å²	58	47.1 Å²	47.1	23%	0.227	26%	0.256	C	S	.	.			trans	-79.3	120.9	177	-173.4	-99.2	0	0	0	110.2	L719 R721 L730 E790 G794	L719-Y792 HydrophobicContact CD2-CD1 3.61Å; L719-Y792 HydrophobicContact CD2-CE1 4.29Å; L719-Y792 HydrophobicContact CD2-CG 4.3Å; L719-Y792 HydrophobicContact CG-CD1 4.23Å; L719-Y792 HydrophobicContact CG-CG 4.46Å; L719-Y792 WeakPolarHBondContact O-CB 3.32Å; L719-Y792 PolarHBondContact O-N 2.86Å; R721-Y792 HydrophobicContact CB-CD2 4.18Å; L730-Y792 HydrophobicContact CD2-CD1 4.4Å; L730-Y792 HydrophobicContact CD2-CD2 3.65Å; L730-Y792 HydrophobicContact CD2-CE2 4.04Å; L730-Y792 HydrophobicContact CD2-CG 3.83Å; E790-Y792 PolarHBondContact O-N 3.01Å; Y792-G794 VanDerWaalsContact CE1-O 3.23Å; Y792-G794 WeakPolarHBondContact CE1-O 3.33Å
793	T	95.1	Very high	95.9	Very high	134 Å²	134	50.1 Å²	50.1	82%	0.822	27%	0.271	S	S	*	.			trans	-106.3	-4.4	-176.8	54.6	0	0	0	0	113.9	K791	K791-T793 PolarHBondContact O-N 2.98Å
794	G	90.8	Very high	95.9	Very high	37 Å²	37	53 Å²	53	38%	0.381	28%	0.284	S	S	.	.	S	Bend	trans	-75.6	173.7	174.9	0	0	0	0	0	113	Y792 A796	Y792-G794 VanDerWaalsContact CE1-O 3.23Å; Y792-G794 WeakPolarHBondContact CE1-O 3.33Å; G794-A796 PolarHBondContact O-N 3.44Å
795	N	92.3	Very high	96	Very high	157 Å²	157	53.4 Å²	53.4	84%	0.84	29%	0.287	S	S	*	.			trans	-64.9	125.1	171.4	-70.6	-27.3	0	0	0	109.7	P797	N795-P797 VanDerWaalsContact O-CD 3.28Å; N795-P797 WeakPolarHBondContact O-CD 3.39Å; N795-P797 VanDerWaalsContact O-N 3.14Å
796	A	93.9	Very high	95.6	Very high	57 Å²	57	56.6 Å²	56.6	47%	0.471	31%	0.313	S	S	.	.			trans	-63.2	114.2	-179.6	0	0	0	0	0	110.3	L719 G794	L719-A796 HydrophobicContact CD2-CB 3.68Å; G794-A796 PolarHBondContact O-N 3.44Å
797	P	96.1	Very high	95.2	Very high	29 Å²	29	59.3 Å²	59.3	19%	0.188	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.3	142.2	-174.8	30.6	-36.5	0	0	0	110.7	R699 L730 K760 N795 L799	R699-P797 PolarHBondContact NH2-O 2.64Å; L730-P797 HydrophobicContact CD1-CG 3.64Å; K760-P797 HydrophobicContact CB-CG 4.4Å; K760-P797 HydrophobicContact CD-CB 3.7Å; K760-P797 HydrophobicContact CD-CG 3.9Å; K760-P797 HydrophobicContact CG-CB 4.2Å; K760-P797 HydrophobicContact CG-CG 3.81Å; N795-P797 VanDerWaalsContact O-CD 3.28Å; N795-P797 WeakPolarHBondContact O-CD 3.39Å; N795-P797 VanDerWaalsContact O-N 3.14Å; P797-L799 PolarHBondContact O-N 3.12Å
798	K	96.4	Very high	94.5	Very high	154 Å²	154	63.7 Å²	63.7	67%	0.67	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-59.8	129.8	-179.4	-176.3	-175.5	172.9	-165.5	0	110.4	K760	K760-K798 WeakPolarHBondContact CD-O 3.41Å; K760-K798 WeakPolarHBondContact CE-O 3.29Å; K760-K798 PolarHBondContact NZ-O 3.26Å
799	L	96	Very high	92.9	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.094	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-70.8	126.6	172.2	-176.3	69.6	0	0	0	109.9	D753 N761 P797 A801 F802	D753-L799 HydrophobicContact CB-CD1 4.48Å; D753-L799 WeakPolarHBondContact OD2-CD1 3.34Å; N761-L799 HydrophobicContact CB-CD1 3.44Å; N761-L799 VanDerWaalsContact CB-CD1 3.44Å; P797-L799 PolarHBondContact O-N 3.12Å; L799-A801 HydrophobicContact CD1-CB 4.03Å; L799-A801 HydrophobicContact CG-CB 4.44Å; L799-F802 HydrophobicContact CD2-CD2 4.22Å; L799-F802 HydrophobicContact CD2-CE2 3.63Å; L799-F802 HydrophobicContact CD2-CZ 4.45Å; L799-F802 HydrophobicContact CG-CE2 4.44Å
800	T	96	Very high	92.6	Very high	42 Å²	42	71.8 Å²	71.8	26%	0.258	42%	0.419	S	S	.	.			trans	-128.3	6.9	-177.2	47.5	0	0	0	0	112.5	K497 D753 K760 F802 D803	K497-T800 PolarHBondContact NZ-O 3.21Å; D753-T800 PolarHBondContact OD1-OG1 3.16Å; D753-T800 PolarHBondContact OD2-N 3.35Å; D753-T800 PolarHBondContact OD2-OG1 2.9Å; K760-T800 WeakPolarHBondContact CE-OG1 3.4Å; K760-T800 PolarHBondContact NZ-OG1 3.28Å; T800-F802 PolarHBondContact O-N 3.27Å; T800-F802 VanDerWaalsContact O-N 3.14Å; T800-D803 PolarHBondContact O-N 3.27Å; T800-D803 VanDerWaalsContact O-N 3.12Å
801	A	95.9	Very high	92.3	Very high	2 Å²	2	71.6 Å²	71.6	2%	0.017	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-40.4	-179.3	0	0	0	0	0	112.8	K497 W751 D753 N761 L799	K497-A801 PolarHBondContact NZ-O 3.16Å; W751-A801 HydrophobicContact CB-CB 4.15Å; D753-A801 HydrophobicContact CB-CB 3.78Å; D753-A801 VanDerWaalsContact CG-N 3.31Å; D753-A801 PolarHBondContact OD2-N 2.96Å; N761-A801 HydrophobicContact CB-CB 4.46Å; L799-A801 HydrophobicContact CD1-CB 4.03Å; L799-A801 HydrophobicContact CG-CB 4.44Å
802	F	95.8	Very high	92	Very high	30 Å²	30	70.5 Å²	70.5	13%	0.132	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	1.3	-173.1	-43.2	-54.6	0	0	0	113.9	N686 W751 L799 T800	N686-F802 HydrophobicContact CB-CE1 4.15Å; N686-F802 WeakPolarHBondContact O-CZ 3.46Å; W751-F802 HydrophobicContact CB-CE1 4.35Å; W751-F802 HydrophobicContact CD2-CD1 4.34Å; W751-F802 HydrophobicContact CD2-CE1 4.34Å; W751-F802 HydrophobicContact CE3-CD1 4.03Å; W751-F802 HydrophobicContact CE3-CE1 4.45Å; W751-F802 HydrophobicContact CG-CE1 4.32Å; W751-F802 HydrophobicContact CZ3-CD1 4.45Å; L799-F802 HydrophobicContact CD2-CD2 4.22Å; L799-F802 HydrophobicContact CD2-CE2 3.63Å; L799-F802 HydrophobicContact CD2-CZ 4.45Å; L799-F802 HydrophobicContact CG-CE2 4.44Å; T800-F802 PolarHBondContact O-N 3.27Å; T800-F802 VanDerWaalsContact O-N 3.14Å
803	D	95.2	Very high	91.6	Very high	66 Å²	66	71.2 Å²	71.2	35%	0.353	44%	0.435	S	S	.	.	S	Bend	trans	-84.2	153.1	177.1	-63.3	-13.7	0	0	0	110.2	K497 T800	K497-D803 WeakPolarHBondContact CE-O 3.33Å; K497-D803 PolarHBondContact NZ-O 2.65Å; T800-D803 PolarHBondContact O-N 3.27Å; T800-D803 VanDerWaalsContact O-N 3.12Å
804	Q	92.7	Very high	91.4	Very high	69 Å²	69	67.3 Å²	67.3	32%	0.322	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66.2	151.1	170	-60.4	-172.5	-2.9	0	0	110.2	R84 I807	R84-Q804 PolarHBondContact O-NE2 3.37Å; Q804-I807 HydrophobicContact CB-CD1 4.47Å
805	P	92.2	Very high	91.5	Very high	27 Å²	27	69.3 Å²	69.3	18%	0.175	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-65.7	171.4	172.9	31.2	-36.5	0	0	0	111.3	Y110 W492 I807	Y110-P805 HydrophobicContact CD2-CB 3.96Å; Y110-P805 HydrophobicContact CD2-CG 3.73Å; Y110-P805 HydrophobicContact CE2-CB 4.16Å; Y110-P805 HydrophobicContact CE2-CG 4.08Å; W492-P805 HydrophobicContact CD2-CG 3.84Å; W492-P805 VanDerWaalsContact CE2-CD 3.49Å; W492-P805 HydrophobicContact CE3-CG 3.72Å; W492-P805 HydrophobicContact CH2-CG 3.66Å; W492-P805 HydrophobicContact CZ2-CG 3.76Å; W492-P805 HydrophobicContact CZ3-CG 3.64Å; P805-I807 PolarHBondContact O-N 2.63Å
806	A	90.7	Very high	91.4	Very high	67 Å²	67	63.1 Å²	63.1	55%	0.554	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-63.4	124.6	170.7	0	0	0	0	0	110.3	T109 Y110	T109-A806 WeakPolarHBondContact CA-O 3.47Å; T109-A806 HydrophobicContact CG2-CB 3.95Å; Y110-A806 PolarHBondContact N-O 3.41Å
807	I	89.2	Confident	91.2	Very high	67 Å²	67	63.5 Å²	63.5	34%	0.344	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.8	-179.2	-63.6	158.4	0	0	0	107.9	M89 Y110 Q804 P805	M89-I807 HydrophobicContact CE-CB 4.34Å; M89-I807 HydrophobicContact CE-CD1 3.3Å; M89-I807 HydrophobicContact CE-CG1 3.5Å; M89-I807 HydrophobicContact CE-CG2 3.84Å; Y110-I807 CarbonylContact O-C 3.56Å; Y110-I807 WeakPolarHBondContact O-CA 3.36Å; Q804-I807 HydrophobicContact CB-CD1 4.47Å; P805-I807 PolarHBondContact O-N 2.63Å
808	Q	84.6	Confident	90.8	Very high	93 Å²	93	66.4 Å²	66.4	44%	0.435	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.7	170.3	-174.1	173.7	3.1	0	0	109	Y110 V111	Y110-Q808 PolarHBondContact O-N 2.98Å; V111-Q808 HydrophobicContact CG2-CB 4.49Å
809	A	65.1	Low	90.3	Very high	162 Å²	162	58.5 Å²	58.5	100%	1.339	37%	0.366	S	S	*	.			trans	-70	0	175.7	0	0	0	0	0	112.8

Retrieved 809 of 809 residues in 2287.5 ms (Link to these results)

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