A0A087YHN8_POEFO Loading...

serine C-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087YHN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33.1	Very low	28.4	Very low	247 Å²	247	152 Å²	152	100%	1.217	83%	0.834	S	S	*	*				0	137.3	0	-56.8	161.8	178.1	0	0	107
2	A	29.1	Very low	28.4	Very low	98 Å²	98	150 Å²	150	81%	0.81	83%	0.834	S	S	*	*			cis	-154.2	163.6	-16.5	0	0	0	0	0	109.2
3	R	24.8	Very low	28.1	Very low	241 Å²	241	147.2 Å²	147.2	91%	0.909	83%	0.83	S	S	*	*			trans	-36.6	161.3	165.6	-56	166	176.6	176.8	-3.6	114
4	T	28.2	Very low	27.9	Very low	121 Å²	121	145.4 Å²	145.4	74%	0.742	83%	0.832	S	S	*	*			cis	-136.7	171.7	25.5	61.1	0	0	0	0	110.3
5	S	27.1	Very low	27.6	Very low	81 Å²	81	147.4 Å²	147.4	57%	0.566	83%	0.831	S	S	*	*			cis	74	134	26.4	116.8	0	0	0	0	112.9
6	D	28.2	Very low	27.4	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	84%	0.835	S	S	*	*			cis	-135.1	-150.7	-6.9	-67.2	-68	0	0	0	108.2
7	A	27	Very low	27.2	Very low	98 Å²	98	144.3 Å²	144.3	81%	0.81	83%	0.831	S	S	*	*			cis	-161	177	3.6	0	0	0	0	0	110.7
8	D	25.6	Very low	27.1	Very low	160 Å²	160	145.7 Å²	145.7	86%	0.856	83%	0.834	S	S	*	*			trans	-73.3	158.4	171.8	-85.7	-69.7	0	0	0	114.8
9	L	26.8	Very low	26.9	Very low	173 Å²	173	147.3 Å²	147.3	91%	0.906	83%	0.831	S	S	*	*			trans	-163.9	138.2	149.6	-112.5	163.2	0	0	0	115
10	K	24.5	Very low	26.7	Very low	193 Å²	193	146.3 Å²	146.3	84%	0.839	83%	0.832	S	S	*	*			trans	-163.8	160.9	175.3	-116	-172.1	-177.8	179.3	0	108.2
11	P	38.2	Very low	26.6	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	83%	0.826	S	S	*	*			cis	-114.1	-152	-31.7	34.8	-15.8	0	0	0	109.6
12	P	27.9	Very low	26.2	Very low	128 Å²	128	140.4 Å²	140.4	83%	0.831	80%	0.803	S	S	*	*				-137.7	175.6	100.5	39.3	-28.9	0	0	0	114.4
13	S	25.1	Very low	25.9	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	80%	0.801	S	S	*	*			trans	-96.4	153.3	-176.3	54.6	0	0	0	0	114.1
14	S	24.8	Very low	25.9	Very low	122 Å²	122	142.8 Å²	142.8	85%	0.853	80%	0.802	S	S	*	*			trans	-130.4	152.6	151.1	59.6	0	0	0	0	110.3
15	Q	23.8	Very low	25.8	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.822	81%	0.808	S	S	*	*			trans	-102.6	150.8	-175.8	-66.2	173.5	-19.3	0	0	111.2
16	N	24.9	Very low	25.7	Very low	168 Å²	168	150.3 Å²	150.3	90%	0.898	82%	0.821	S	S	*	*			trans	151.7	117.6	151.4	-79.7	-19.2	0	0	0	108.2
17	G	23.4	Very low	25.5	Very low	74 Å²	74	148.5 Å²	148.5	76%	0.763	82%	0.82	S	S	*	*			cis	116.2	74.5	1.3	0	0	0	0	0	112.1
18	L	25.1	Very low	25.3	Very low	170 Å²	170	150 Å²	150	89%	0.89	82%	0.823	S	S	*	*			trans	-150.5	128.9	166.2	-111.6	163.9	0	0	0	111.3
19	K	24	Very low	25.3	Very low	176 Å²	176	150.3 Å²	150.3	77%	0.765	82%	0.819	S	S	*	*			trans	-28.8	148.4	-173.3	-62.4	179.2	170.5	-166.4	0	120
20	C	22.3	Very low	25.1	Very low	127 Å²	127	147.7 Å²	147.7	86%	0.858	82%	0.815	S	S	*	*			trans	-101.9	137	151.6	-179	0	0	0	0	107.9
21	D	23.7	Very low	25.1	Very low	130 Å²	130	147.8 Å²	147.8	70%	0.695	82%	0.816	S	S	*	*			trans	-141.4	138.4	173	-82	-54.9	0	0	0	110.7
22	D	24.7	Very low	24.5	Very low	139 Å²	139	149.1 Å²	149.1	74%	0.743	82%	0.822	S	S	*	*			trans	11	117.9	174.8	-77.2	-27.3	0	0	0	124.8
23	L	24.6	Very low	24.4	Very low	148 Å²	148	151.4 Å²	151.4	78%	0.775	82%	0.821	S	S	*	*				30.2	116.3	109.8	-69	169.3	0	0	0	119.3
24	R	23.1	Very low	24.5	Very low	242 Å²	242	155.4 Å²	155.4	91%	0.913	83%	0.825	S	S	*	*				-155.9	128.3	126.5	-110.2	158.9	-158.2	-152.7	3.1	112.7
25	K	26.7	Very low	24.6	Very low	201 Å²	201	157.3 Å²	157.3	87%	0.874	83%	0.825	S	S	*	*			trans	-67.7	139	162.6	-67.1	174.4	179.2	173.6	0	108.2
26	N	24.2	Very low	24.6	Very low	159 Å²	159	152 Å²	152	85%	0.85	82%	0.818	S	S	*	*			trans	-145.2	115.2	157.1	-103.2	-24.4	0	0	0	110.3
27	S	24.2	Very low	25	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	82%	0.816	S	S	*	*			trans	-71.9	126.7	166.6	47.1	0	0	0	0	109.6
28	C	23.7	Very low	25.1	Very low	129 Å²	129	155.2 Å²	155.2	87%	0.872	82%	0.819	S	S	*	*			trans	-108.3	113.9	173.4	-159.9	0	0	0	0	110.1
29	H	24.8	Very low	25.2	Very low	168 Å²	168	153.2 Å²	153.2	78%	0.778	81%	0.814	S	S	*	*			trans	-69.5	137.7	169	-81.2	-81.7	0	0	0	109.9	K31	H29-K31 PolarHBondContact O-N 3.23Å; H29-K31 VanDerWaalsContact O-N 3.09Å
30	S	23.5	Very low	25.5	Very low	117 Å²	117	149.1 Å²	149.1	82%	0.818	82%	0.822	S	S	*	*			trans	-64.6	107.9	169.5	53.8	0	0	0	0	110.4
31	K	23.8	Very low	25.9	Very low	196 Å²	196	149.1 Å²	149.1	85%	0.852	82%	0.818	S	S	*	*			trans	-88.5	127.1	161.3	-80.5	-172.6	173.7	-178	0	109.1	H29 E33	H29-K31 PolarHBondContact O-N 3.23Å; H29-K31 VanDerWaalsContact O-N 3.09Å; K31-E33 PolarHBondContact O-N 2.86Å
32	T	26.5	Very low	26.2	Very low	137 Å²	137	146.6 Å²	146.6	84%	0.84	82%	0.823	S	S	*	*			trans	-80.3	106.4	177.1	-44.3	0	0	0	0	109.7
33	E	25.3	Very low	26.6	Very low	176 Å²	176	145 Å²	145	82%	0.822	82%	0.822	S	S	*	*			trans	-82.2	136.5	169.6	-67.2	-167.5	144.1	0	0	110.7	K31	K31-E33 PolarHBondContact O-N 2.86Å
34	K	26.6	Very low	27.4	Very low	197 Å²	197	144.8 Å²	144.8	86%	0.857	81%	0.811	S	S	*	*			trans	-89.9	142.3	172.2	-64.7	178.1	178.3	179.4	0	108.7
35	N	28.2	Very low	28.2	Very low	162 Å²	162	142.1 Å²	142.1	87%	0.866	81%	0.809	S	S	*	*			trans	-137.7	160.3	161.8	-101.8	-48.1	0	0	0	111.8
36	G	24.2	Very low	29.5	Very low	66 Å²	66	139 Å²	139	68%	0.68	80%	0.796	S	S	*	*			trans	-79.6	-175.2	-160.9	0	0	0	0	0	117.1
37	P	32.3	Very low	30.9	Very low	129 Å²	129	134.9 Å²	134.9	84%	0.838	78%	0.779	S	S	*	*			trans	-88.5	134.4	-162.6	33.5	-34.7	0	0	0	113.9
38	Q	26.7	Very low	32.7	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	78%	0.775	S	S	*	*			trans	-139.2	128.9	160.3	-72.7	-165.7	-20.8	0	0	112.2
39	T	26.2	Very low	35.3	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	74%	0.743	S	S	*	*			trans	42.4	112.9	151.5	56.5	0	0	0	0	119	V41	T39-V41 PolarHBondContact O-N 3.04Å
40	G	31.2	Very low	37.9	Very low	90 Å²	90	125.5 Å²	125.5	93%	0.928	71%	0.713	S	S	*	*			trans	-68.1	97.6	175.7	0	0	0	0	0	114.2
41	V	30.7	Very low	40.9	Very low	128 Å²	128	123.3 Å²	123.3	78%	0.776	69%	0.689	S	S	*	*			trans	-89.3	127.8	147.9	177.9	0	0	0	0	106.8	T39 S43	T39-V41 PolarHBondContact O-N 3.04Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 2.62Å
42	G	29.8	Very low	44.1	Very low	77 Å²	77	115.1 Å²	115.1	79%	0.794	65%	0.653	S	S	*	*			trans	-68.6	84.4	178.8	0	0	0	0	0	111.6	R44	G42-R44 PolarHBondContact O-N 2.84Å
43	S	32.2	Very low	47.1	Very low	104 Å²	104	114 Å²	114	73%	0.727	64%	0.639	S	S	*	*			trans	-66.1	95	176.9	61.3	0	0	0	0	109.7	V41 Q45	V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 2.62Å; S43-Q45 PolarHBondContact O-N 2.71Å
44	R	40.9	Very low	50.2	Low	145 Å²	145	106.6 Å²	106.6	55%	0.547	61%	0.606	S	S	.	*			trans	-56.6	107.2	171.2	-167.6	174.3	-176.5	-140.1	-10.3	107.2	G42 F46 D453	G42-R44 PolarHBondContact O-N 2.84Å; R44-F46 PolarHBondContact O-N 3.37Å; R44-F46 VanDerWaalsContact O-N 3.12Å; R44-D453 IonicContact CZ-OD2 3.22Å; R44-D453 IonicContact NH1-OD2 2.63Å; R44-D453 IonicContact NH2-OD1 3.78Å; R44-D453 IonicContact NH2-OD2 2.78Å; R44-D453 PolarHBondContact NH2-OD2 3.2Å
45	Q	41.5	Very low	53.3	Low	185 Å²	185	98 Å²	98	86%	0.864	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-59.7	118.9	-169.1	-160.7	171.2	17	0	0	108.6	S43 S47	S43-Q45 PolarHBondContact O-N 2.71Å; Q45-S47 PolarHBondContact O-N 2.74Å
46	F	52.7	Low	56.3	Low	137 Å²	137	97.4 Å²	97.4	60%	0.601	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-57.9	117	-169.6	-67	-81	0	0	0	110.3	R44 H48 F351	R44-F46 PolarHBondContact O-N 3.37Å; R44-F46 VanDerWaalsContact O-N 3.12Å; F46-H48 PolarHBondContact O-N 3.01Å; F46-F351 HydrophobicContact CD1-CD1 4.49Å; F46-F351 HydrophobicContact CD1-CE1 4.23Å; F46-F351 HydrophobicContact CE1-CD1 4.18Å; F46-F351 HydrophobicContact CE1-CE1 4.33Å
47	S	53.5	Low	59.6	Low	71 Å²	71	101 Å²	101	50%	0.497	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-63.6	130.8	168.9	-179.9	0	0	0	0	108.2	Q45 D451	Q45-S47 PolarHBondContact O-N 2.74Å; S47-D451 WeakPolarHBondContact CB-OD2 3.31Å; S47-D451 PolarHBondContact OG-OD2 3.36Å
48	H	62.8	Low	62.5	Low	149 Å²	149	94.9 Å²	94.9	69%	0.69	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-97.8	123.4	179.9	-77.6	-71	0	0	0	109.3	F46 T50	F46-H48 PolarHBondContact O-N 3.01Å; H48-T50 PolarHBondContact O-N 2.98Å; H48-T50 VanDerWaalsContact O-N 3.16Å
49	D	78.2	Confident	65.6	Low	37 Å²	37	87.5 Å²	87.5	20%	0.198	49%	0.488	C	S	.	.			trans	-43.3	120.4	172.9	-65.7	-47.7	0	0	0	110.9	F51 N271 S311 V312	D49-F51 HydrophobicContact CB-CD2 3.82Å; D49-F51 HydrophobicContact CB-CE2 3.4Å; D49-F51 VanDerWaalsContact CB-CE2 3.4Å; D49-F51 HydrophobicContact CB-CZ 4.28Å; D49-F51 PolarHBondContact O-N 2.86Å; D49-N271 PolarHBondContact OD2-ND2 3.47Å; D49-S311 VanDerWaalsContact CG-CB 3.47Å; D49-S311 WeakPolarHBondContact OD1-CA 3.4Å; D49-S311 VanDerWaalsContact OD1-CB 3.23Å; D49-S311 WeakPolarHBondContact OD1-CB 3.14Å; D49-V312 PolarHBondContact OD1-N 2.92Å
50	T	79.7	Confident	68.9	Low	25 Å²	25	85.7 Å²	85.7	15%	0.153	48%	0.476	C	S	.	.			trans	-90.7	95.7	-175.3	58.1	0	0	0	0	112.1	H48 I448 Y449 G450	H48-T50 PolarHBondContact O-N 2.98Å; H48-T50 VanDerWaalsContact O-N 3.16Å; T50-I448 VanDerWaalsContact O-O 3.08Å; T50-Y449 WeakPolarHBondContact O-CA 3.48Å; T50-G450 PolarHBondContact N-O 2.9Å; T50-G450 PolarHBondContact OG1-O 3.44Å
51	F	86.9	Confident	71.9	Confident	72 Å²	72	85.8 Å²	85.8	32%	0.316	45%	0.454	S	S	.	.			trans	-100.8	70.6	174	-65.4	-77	0	0	0	112	D49 Q53 E309 Y449	D49-F51 HydrophobicContact CB-CD2 3.82Å; D49-F51 HydrophobicContact CB-CE2 3.4Å; D49-F51 VanDerWaalsContact CB-CE2 3.4Å; D49-F51 HydrophobicContact CB-CZ 4.28Å; D49-F51 PolarHBondContact O-N 2.86Å; F51-Q53 PolarHBondContact O-N 2.75Å; F51-E309 HydrophobicContact CE1-CB 4.13Å; F51-E309 HydrophobicContact CE1-CG 4.02Å; F51-E309 HydrophobicContact CZ-CB 4.3Å; F51-E309 HydrophobicContact CZ-CG 4.4Å; F51-Y449 AromaticContact CD1-CD1 3.98Å; F51-Y449 HydrophobicContact CD1-CD1 3.98Å; F51-Y449 AromaticContact CD1-CD2 3.56Å; F51-Y449 HydrophobicContact CD1-CD2 3.56Å; F51-Y449 HydrophobicContact CD1-CE1 4.32Å; F51-Y449 AromaticContact CD1-CE2 3.92Å; F51-Y449 HydrophobicContact CD1-CE2 3.92Å; F51-Y449 AromaticContact CD1-CG 3.59Å; F51-Y449 HydrophobicContact CD1-CG 3.59Å; F51-Y449 AromaticContact CE1-CD2 3.79Å; F51-Y449 HydrophobicContact CE1-CD2 3.79Å; F51-Y449 HydrophobicContact CE1-CE2 4.41Å; F51-Y449 AromaticContact CE1-CG 4Å; F51-Y449 HydrophobicContact CE1-CG 4Å
52	E	90.1	Very high	74.9	Confident	23 Å²	23	79.7 Å²	79.7	11%	0.107	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-67.5	119.3	178.4	-179.6	171.9	172	0	0	111.8	I447 S528 R529 R530	E52-I447 HydrophobicContact CB-CG2 4.19Å; E52-I447 HydrophobicContact CG-CD1 4.25Å; E52-I447 HydrophobicContact CG-CG1 4.35Å; E52-I447 WeakPolarHBondContact O-CG2 3.23Å; E52-S528 VanDerWaalsContact CD-OG 3.29Å; E52-S528 WeakPolarHBondContact OE1-CA 3.33Å; E52-S528 PolarHBondContact OE1-OG 2.92Å; E52-S528 PolarHBondContact OE2-OG 3.03Å; E52-R529 PolarHBondContact OE1-N 3.49Å; E52-R530 WeakPolarHBondContact OE2-CD 3.31Å; E52-R530 WeakPolarHBondContact OE2-CG 3.39Å; E52-R530 IonicContact OE2-CZ 2.82Å; E52-R530 IonicContact OE2-NE 3.64Å; E52-R530 PolarHBondContact OE2-NE 2.84Å; E52-R530 IonicContact OE2-NH2 3.5Å
53	Q	89.5	Confident	77.9	Confident	114 Å²	114	83 Å²	83	53%	0.533	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-71.1	135.2	175.9	-65.9	-59.8	-56.8	0	0	111	F51 R529	F51-Q53 PolarHBondContact O-N 2.75Å; Q53-R529 PolarHBondContact O-NH2 3.46Å
54	P	90.1	Very high	80.9	Confident	20 Å²	20	82.5 Å²	82.5	13%	0.13	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.7	160.4	-179.3	26.6	-35	0	0	0	112.5	V58 I447 Y462	P54-V58 HydrophobicContact CB-CB 4.16Å; P54-V58 HydrophobicContact CB-CG1 4.37Å; P54-I447 HydrophobicContact CB-CD1 4.35Å; P54-Y462 HydrophobicContact CB-CE1 3.89Å; P54-Y462 HydrophobicContact CB-CE2 4.2Å; P54-Y462 HydrophobicContact CG-CD1 4.39Å; P54-Y462 HydrophobicContact CG-CE1 3.67Å
55	P	91.9	Very high	83.4	Confident	16 Å²	16	76.5 Å²	76.5	10%	0.104	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-56.7	139.2	163.9	-21	32.2	0	0	0	111.1	Y57 V58 R529	P55-Y57 HydrophobicContact CB-CD1 3.65Å; P55-Y57 HydrophobicContact CB-CE1 3.44Å; P55-Y57 VanDerWaalsContact CB-CE1 3.44Å; P55-Y57 HydrophobicContact CG-CE1 4.03Å; P55-Y57 PolarHBondContact O-N 3.2Å; P55-V58 HydrophobicContact CB-CG2 4.23Å; P55-V58 HydrophobicContact CG-CG2 4.28Å; P55-V58 WeakPolarHBondContact O-CB 3.32Å; P55-V58 PolarHBondContact O-N 3.11Å; P55-R529 HydrophobicContact CG-CG 4.24Å
56	M	92.1	Very high	85.8	Confident	150 Å²	150	68.8 Å²	68.8	74%	0.739	34%	0.342	S	S	*	.	H	α-helix	trans	-53.2	-35.6	-174.1	-72	-61	-64.9	0	0	114.1	V58 A59 V60	M56-V58 VanDerWaalsContact C-N 3.25Å; M56-V58 PolarHBondContact O-N 3.46Å; M56-A59 PolarHBondContact O-N 2.67Å; M56-V60 WeakPolarHBondContact O-CG2 3.39Å; M56-V60 PolarHBondContact O-N 3.03Å
57	Y	93.2	Very high	87.7	Confident	142 Å²	142	64.1 Å²	64.1	56%	0.557	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-32	177.9	78.5	-97.8	0	0	0	112.6	P55 M61	P55-Y57 HydrophobicContact CB-CD1 3.65Å; P55-Y57 HydrophobicContact CB-CE1 3.44Å; P55-Y57 VanDerWaalsContact CB-CE1 3.44Å; P55-Y57 HydrophobicContact CG-CE1 4.03Å; P55-Y57 PolarHBondContact O-N 3.2Å; Y57-M61 WeakPolarHBondContact O-CB 3.37Å; Y57-M61 WeakPolarHBondContact O-CG 3.3Å; Y57-M61 PolarHBondContact O-N 3.02Å
58	V	93.7	Very high	89.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69	-41.9	178.3	-177.3	0	0	0	0	110.2	P54 P55 M56 T62 Y462 M463 F527	P54-V58 HydrophobicContact CB-CB 4.16Å; P54-V58 HydrophobicContact CB-CG1 4.37Å; P55-V58 HydrophobicContact CB-CG2 4.23Å; P55-V58 HydrophobicContact CG-CG2 4.28Å; P55-V58 WeakPolarHBondContact O-CB 3.32Å; P55-V58 PolarHBondContact O-N 3.11Å; M56-V58 VanDerWaalsContact C-N 3.25Å; M56-V58 PolarHBondContact O-N 3.46Å; V58-T62 VanDerWaalsContact O-CB 3.31Å; V58-T62 WeakPolarHBondContact O-CB 3.45Å; V58-T62 PolarHBondContact O-N 3.47Å; V58-T62 PolarHBondContact O-OG1 3.04Å; V58-Y462 HydrophobicContact CG1-CD1 4.37Å; V58-Y462 HydrophobicContact CG1-CD2 3.64Å; V58-Y462 HydrophobicContact CG1-CE2 4.28Å; V58-Y462 HydrophobicContact CG1-CG 3.7Å; V58-M463 HydrophobicContact CG1-CE 4.2Å; V58-F527 HydrophobicContact CG1-CD1 4.26Å; V58-F527 HydrophobicContact CG1-CE1 4.01Å; V58-F527 HydrophobicContact CG1-CE2 4.49Å; V58-F527 HydrophobicContact CG1-CZ 4.12Å; V58-F527 HydrophobicContact CG2-CD1 3.53Å; V58-F527 HydrophobicContact CG2-CE1 3.73Å; V58-F527 HydrophobicContact CG2-CG 4.29Å
59	A	91.4	Very high	91	Very high	25 Å²	25	59.6 Å²	59.6	21%	0.207	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-49.1	175.4	0	0	0	0	0	111.3	M56 M61 T62 Y63	M56-A59 PolarHBondContact O-N 2.67Å; A59-M61 PolarHBondContact O-N 3.33Å; A59-T62 WeakPolarHBondContact O-CB 3.37Å; A59-T62 PolarHBondContact O-N 2.74Å; A59-T62 VanDerWaalsContact O-N 3.14Å; A59-Y63 VanDerWaalsContact O-CD2 3.3Å; A59-Y63 WeakPolarHBondContact O-CD2 3.29Å; A59-Y63 PolarHBondContact O-N 2.92Å
60	V	93.9	Very high	91.6	Very high	89 Å²	89	59.6 Å²	59.6	54%	0.539	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-48	177	172.8	0	0	0	0	111.5	M56 T62 Y63 L64	M56-V60 WeakPolarHBondContact O-CG2 3.39Å; M56-V60 PolarHBondContact O-N 3.03Å; V60-T62 VanDerWaalsContact C-N 3.25Å; V60-T62 PolarHBondContact O-N 3.32Å; V60-Y63 PolarHBondContact O-N 3.07Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 PolarHBondContact O-N 3.3Å
61	M	94.5	Very high	92.4	Very high	92 Å²	92	64.3 Å²	64.3	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-67.5	-24.3	178.3	-70.6	-67	-73.2	0	0	112.9	Y57 A59 L64 G65 M463	Y57-M61 WeakPolarHBondContact O-CB 3.37Å; Y57-M61 WeakPolarHBondContact O-CG 3.3Å; Y57-M61 PolarHBondContact O-N 3.02Å; A59-M61 PolarHBondContact O-N 3.33Å; M61-L64 HydrophobicContact SD-CD2 3.96Å; M61-G65 PolarHBondContact O-N 3.03Å; M61-M463 HydrophobicContact CB-CE 3.53Å; M61-M463 HydrophobicContact CB-SD 4.31Å; M61-M463 HydrophobicContact CG-CE 4.49Å
62	T	94	Very high	92.6	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-73.5	-47.7	173.3	-61	0	0	0	0	111.1	V58 A59 V60 L64 G65 Y66 Y462 M463	V58-T62 VanDerWaalsContact O-CB 3.31Å; V58-T62 WeakPolarHBondContact O-CB 3.45Å; V58-T62 PolarHBondContact O-N 3.47Å; V58-T62 PolarHBondContact O-OG1 3.04Å; A59-T62 WeakPolarHBondContact O-CB 3.37Å; A59-T62 PolarHBondContact O-N 2.74Å; A59-T62 VanDerWaalsContact O-N 3.14Å; V60-T62 VanDerWaalsContact C-N 3.25Å; V60-T62 PolarHBondContact O-N 3.32Å; T62-L64 VanDerWaalsContact C-N 3.34Å; T62-L64 PolarHBondContact O-N 2.7Å; T62-G65 PolarHBondContact O-N 3.32Å; T62-Y66 HydrophobicContact CG2-CD2 4.12Å; T62-Y66 HydrophobicContact CG2-CE2 4.25Å; T62-Y66 WeakPolarHBondContact O-CD2 3.47Å; T62-Y66 PolarHBondContact O-N 2.94Å; T62-Y462 WeakPolarHBondContact CG2-O 3.39Å; T62-Y462 WeakPolarHBondContact OG1-CB 3.33Å; T62-M463 WeakPolarHBondContact OG1-CG 3.48Å
63	Y	93.6	Very high	92.7	Very high	147 Å²	147	65.1 Å²	65.1	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-59.6	-43.8	172.1	-78.1	-67.1	0	0	0	112	A59 V60 G65 Y66 G67 T492	A59-Y63 VanDerWaalsContact O-CD2 3.3Å; A59-Y63 WeakPolarHBondContact O-CD2 3.29Å; A59-Y63 PolarHBondContact O-N 2.92Å; V60-Y63 PolarHBondContact O-N 3.07Å; Y63-G65 PolarHBondContact O-N 3.47Å; Y63-Y66 PolarHBondContact O-N 3.23Å; Y63-G67 PolarHBondContact O-N 3.38Å; Y63-T492 HydrophobicContact CD2-CG2 4.25Å; Y63-T492 HydrophobicContact CE1-CG2 3.96Å; Y63-T492 HydrophobicContact CE2-CG2 3.49Å; Y63-T492 VanDerWaalsContact CE2-CG2 3.49Å; Y63-T492 WeakPolarHBondContact OH-CG2 3.48Å
64	L	94.6	Very high	92.9	Very high	92 Å²	92	65.9 Å²	65.9	48%	0.482	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-43.7	174.8	-179.3	61.6	0	0	0	111.6	V60 M61 T62 Y66 G67 I68	V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 PolarHBondContact O-N 3.3Å; M61-L64 HydrophobicContact SD-CD2 3.96Å; T62-L64 VanDerWaalsContact C-N 3.34Å; T62-L64 PolarHBondContact O-N 2.7Å; L64-Y66 PolarHBondContact O-N 3.18Å; L64-G67 PolarHBondContact O-N 2.78Å; L64-I68 HydrophobicContact CD1-CD1 4.11Å; L64-I68 HydrophobicContact CD1-CG1 4.27Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.41Å; L64-I68 PolarHBondContact O-N 3.37Å
65	G	93.1	Very high	93.1	Very high	20 Å²	20	69.2 Å²	69.2	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175.7	0	0	0	0	0	113	M61 T62 Y63 V69	M61-G65 PolarHBondContact O-N 3.03Å; T62-G65 PolarHBondContact O-N 3.32Å; Y63-G65 PolarHBondContact O-N 3.47Å; G65-V69 PolarHBondContact O-N 3.4Å; G65-V69 VanDerWaalsContact O-N 3.17Å
66	Y	91.6	Very high	93	Very high	23 Å²	23	71 Å²	71	9%	0.09	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-40.7	173.4	-89.4	-79.5	0	0	0	112.6	T62 Y63 L64 V69 T70 P464 I491	T62-Y66 HydrophobicContact CG2-CD2 4.12Å; T62-Y66 HydrophobicContact CG2-CE2 4.25Å; T62-Y66 WeakPolarHBondContact O-CD2 3.47Å; T62-Y66 PolarHBondContact O-N 2.94Å; Y63-Y66 PolarHBondContact O-N 3.23Å; L64-Y66 PolarHBondContact O-N 3.18Å; Y66-V69 WeakPolarHBondContact O-CG2 3.43Å; Y66-V69 PolarHBondContact O-N 2.98Å; Y66-T70 VanDerWaalsContact O-CB 3.27Å; Y66-T70 WeakPolarHBondContact O-CB 3.45Å; Y66-T70 PolarHBondContact O-N 3.18Å; Y66-T70 PolarHBondContact O-OG1 2.79Å; Y66-P464 HydrophobicContact CD1-CG 4.35Å; Y66-P464 HydrophobicContact CD2-CB 4.46Å; Y66-P464 HydrophobicContact CD2-CG 3.72Å; Y66-P464 HydrophobicContact CE1-CB 4.24Å; Y66-P464 HydrophobicContact CE1-CG 4.3Å; Y66-P464 HydrophobicContact CE2-CB 3.93Å; Y66-P464 HydrophobicContact CE2-CG 3.68Å; Y66-P464 HydrophobicContact CG-CG 4.08Å; Y66-I491 HydrophobicContact CD1-CG2 4.07Å; Y66-I491 HydrophobicContact CD2-CG2 3.36Å; Y66-I491 HydrophobicContact CE1-CG2 4.2Å; Y66-I491 HydrophobicContact CE2-CB 4.5Å; Y66-I491 HydrophobicContact CE2-CG2 3.51Å; Y66-I491 WeakPolarHBondContact CE2-O 3.24Å; Y66-I491 HydrophobicContact CG-CG2 3.65Å
67	G	93.1	Very high	92.9	Very high	39 Å²	39	65.4 Å²	65.4	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-44.3	174.5	0	0	0	0	0	112.8	Y63 L64 T70 L71	Y63-G67 PolarHBondContact O-N 3.38Å; L64-G67 PolarHBondContact O-N 2.78Å; G67-T70 PolarHBondContact O-N 2.71Å; G67-L71 WeakPolarHBondContact O-CB 3.43Å; G67-L71 PolarHBondContact O-N 2.55Å
68	I	93.6	Very high	92.8	Very high	80 Å²	80	62.8 Å²	62.8	41%	0.41	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-51.6	176.7	-70.4	166.1	0	0	0	110.9	L64 T70 L71 F72	L64-I68 HydrophobicContact CD1-CD1 4.11Å; L64-I68 HydrophobicContact CD1-CG1 4.27Å; L64-I68 HydrophobicContact CG-CD1 3.9Å; L64-I68 HydrophobicContact CG-CG1 4.47Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.41Å; L64-I68 PolarHBondContact O-N 3.37Å; I68-T70 PolarHBondContact O-N 2.91Å; I68-L71 PolarHBondContact O-N 3.12Å; I68-F72 HydrophobicContact CG2-CD2 3.83Å; I68-F72 HydrophobicContact CG2-CE2 3.97Å; I68-F72 WeakPolarHBondContact O-CD2 3.21Å; I68-F72 PolarHBondContact O-N 3.45Å
69	V	91.7	Very high	92.7	Very high	44 Å²	44	65.5 Å²	65.5	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-66.7	-27	-179.5	-61.7	0	0	0	0	112.8	G65 Y66 G73 L114	G65-V69 PolarHBondContact O-N 3.4Å; G65-V69 VanDerWaalsContact O-N 3.17Å; Y66-V69 WeakPolarHBondContact O-CG2 3.43Å; Y66-V69 PolarHBondContact O-N 2.98Å; V69-G73 PolarHBondContact O-N 3.38Å; V69-L114 HydrophobicContact CB-CG 4.37Å; V69-L114 HydrophobicContact CG2-CD2 3.73Å; V69-L114 HydrophobicContact CG2-CG 4.04Å
70	T	92.2	Very high	92.6	Very high	38 Å²	38	65.7 Å²	65.7	23%	0.233	34%	0.338	C	S	.	.	H	α-helix	trans	-71.3	-46	173.6	-60.4	0	0	0	0	111.3	Y66 G67 I68 F72 G73 Y74 F109	Y66-T70 VanDerWaalsContact O-CB 3.27Å; Y66-T70 WeakPolarHBondContact O-CB 3.45Å; Y66-T70 PolarHBondContact O-N 3.18Å; Y66-T70 PolarHBondContact O-OG1 2.79Å; G67-T70 PolarHBondContact O-N 2.71Å; I68-T70 PolarHBondContact O-N 2.91Å; T70-F72 PolarHBondContact O-N 3.41Å; T70-G73 WeakPolarHBondContact O-CA 3.41Å; T70-G73 PolarHBondContact O-N 3.15Å; T70-Y74 HydrophobicContact CG2-CD2 3.93Å; T70-Y74 HydrophobicContact CG2-CE2 3.58Å; T70-Y74 WeakPolarHBondContact O-CD2 3.44Å; T70-Y74 PolarHBondContact O-N 3.38Å; T70-F109 HydrophobicContact CG2-CE1 4.03Å; T70-F109 HydrophobicContact CG2-CZ 4.07Å
71	L	94.6	Very high	92.3	Very high	123 Å²	123	65.7 Å²	65.7	64%	0.644	35%	0.347	S	S	*	.	H	α-helix	trans	-59.6	-44.7	174.6	-179.6	63.1	0	0	0	111.6	G67 I68 G73 Y74 L75	G67-L71 WeakPolarHBondContact O-CB 3.43Å; G67-L71 PolarHBondContact O-N 2.55Å; I68-L71 PolarHBondContact O-N 3.12Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 2.85Å; L71-Y74 PolarHBondContact O-N 2.97Å; L71-L75 WeakPolarHBondContact O-CB 3.36Å; L71-L75 PolarHBondContact O-N 2.93Å
72	F	92.9	Very high	92.1	Very high	111 Å²	111	65.8 Å²	65.8	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-30	172	-88.3	-76.6	0	0	0	112.9	I68 T70 L75 R76	I68-F72 HydrophobicContact CG2-CD2 3.83Å; I68-F72 HydrophobicContact CG2-CE2 3.97Å; I68-F72 WeakPolarHBondContact O-CD2 3.21Å; I68-F72 PolarHBondContact O-N 3.45Å; T70-F72 PolarHBondContact O-N 3.41Å; F72-L75 HydrophobicContact CD1-CD2 4.43Å; F72-R76 VanDerWaalsContact O-CG 3.28Å; F72-R76 WeakPolarHBondContact O-CG 3.36Å; F72-R76 PolarHBondContact O-N 2.82Å; F72-R76 VanDerWaalsContact O-N 3.1Å
73	G	92.3	Very high	91.8	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-65.4	-49.5	173.5	0	0	0	0	0	112.3	V69 T70 L71 R76 D77 N113	V69-G73 PolarHBondContact O-N 3.38Å; T70-G73 WeakPolarHBondContact O-CA 3.41Å; T70-G73 PolarHBondContact O-N 3.15Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 2.85Å; G73-R76 PolarHBondContact O-N 3.49Å; G73-D77 PolarHBondContact O-N 2.74Å; G73-N113 PolarHBondContact O-ND2 2.63Å
74	Y	93.6	Very high	91.5	Very high	130 Å²	130	68.4 Å²	68.4	51%	0.51	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-40.9	176.4	-73.9	-64.8	0	0	0	112.3	T70 L71 R76 D77 V78 F109	T70-Y74 HydrophobicContact CG2-CD2 3.93Å; T70-Y74 HydrophobicContact CG2-CE2 3.58Å; T70-Y74 WeakPolarHBondContact O-CD2 3.44Å; T70-Y74 PolarHBondContact O-N 3.38Å; L71-Y74 PolarHBondContact O-N 2.97Å; Y74-R76 VanDerWaalsContact C-N 3.3Å; Y74-R76 PolarHBondContact O-N 3.27Å; Y74-D77 PolarHBondContact O-N 3.32Å; Y74-V78 WeakPolarHBondContact O-CG2 3.44Å; Y74-V78 PolarHBondContact O-N 2.82Å; Y74-F109 HydrophobicContact CD1-CD2 4.24Å; Y74-F109 AromaticContact CD1-CE2 3.61Å; Y74-F109 HydrophobicContact CD1-CE2 3.61Å; Y74-F109 HydrophobicContact CD1-CZ 4.27Å; Y74-F109 HydrophobicContact CD2-CE2 4.02Å; Y74-F109 AromaticContact CD2-CZ 3.85Å; Y74-F109 HydrophobicContact CD2-CZ 3.85Å; Y74-F109 AromaticContact CE1-CD2 3.97Å; Y74-F109 HydrophobicContact CE1-CD2 3.97Å; Y74-F109 AromaticContact CE1-CE2 3.66Å; Y74-F109 HydrophobicContact CE1-CE2 3.66Å; Y74-F109 HydrophobicContact CE1-CZ 4.23Å; Y74-F109 HydrophobicContact CE2-CE1 4.42Å; Y74-F109 HydrophobicContact CE2-CE2 4.08Å; Y74-F109 AromaticContact CE2-CZ 3.81Å; Y74-F109 HydrophobicContact CE2-CZ 3.81Å; Y74-F109 AromaticContact CG-CE2 3.79Å; Y74-F109 HydrophobicContact CG-CE2 3.79Å; Y74-F109 HydrophobicContact CG-CZ 4.08Å; Y74-F109 AromaticContact CZ-CE2 3.9Å; Y74-F109 AromaticContact CZ-CZ 4Å
75	L	93.3	Very high	91.1	Very high	90 Å²	90	66 Å²	66	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-42.3	173.7	178.4	60.4	0	0	0	111.8	L71 F72 V78 L79	L71-L75 WeakPolarHBondContact O-CB 3.36Å; L71-L75 PolarHBondContact O-N 2.93Å; F72-L75 HydrophobicContact CD1-CD2 4.43Å; L75-V78 PolarHBondContact O-N 2.93Å; L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CG 3.31Å; L75-L79 PolarHBondContact O-N 3.35Å
76	R	90	Very high	90.4	Very high	54 Å²	54	73.1 Å²	73.1	20%	0.204	40%	0.403	C	S	.	.	H	α-helix	trans	-67.9	-35.8	176.9	-72.4	-177.4	72.9	-176.7	4.5	113.1	F72 G73 Y74 L79 R80 E85	F72-R76 VanDerWaalsContact O-CG 3.28Å; F72-R76 WeakPolarHBondContact O-CG 3.36Å; F72-R76 PolarHBondContact O-N 2.82Å; F72-R76 VanDerWaalsContact O-N 3.1Å; G73-R76 PolarHBondContact O-N 3.49Å; Y74-R76 VanDerWaalsContact C-N 3.3Å; Y74-R76 PolarHBondContact O-N 3.27Å; R76-L79 PolarHBondContact O-N 2.96Å; R76-R80 VanDerWaalsContact O-CG 3.31Å; R76-R80 WeakPolarHBondContact O-CG 3.35Å; R76-R80 PolarHBondContact O-N 3.03Å; R76-E85 WeakPolarHBondContact CB-OE2 3.5Å; R76-E85 VanDerWaalsContact CG-OE2 3.29Å; R76-E85 WeakPolarHBondContact CG-OE2 3.39Å; R76-E85 IonicContact CZ-OE1 3.78Å; R76-E85 VanDerWaalsContact CZ-OE1 3.31Å; R76-E85 IonicContact CZ-OE2 3.23Å; R76-E85 IonicContact NE-OE1 3.2Å; R76-E85 PolarHBondContact NE-OE1 2.9Å; R76-E85 IonicContact NE-OE2 2.73Å; R76-E85 PolarHBondContact NE-OE2 3.4Å; R76-E85 IonicContact NH2-OE1 3.38Å; R76-E85 PolarHBondContact NH2-OE1 2.8Å; R76-E85 IonicContact NH2-OE2 2.83Å; R76-E85 PolarHBondContact NH2-OE2 2.79Å
77	D	90.1	Very high	89.5	Confident	33 Å²	33	74.3 Å²	74.3	18%	0.176	41%	0.414	C	S	.	.	H	α-helix	trans	-67.4	-35.7	173.2	-79.3	-28.4	0	0	0	112.4	G73 Y74 R80 A81 R112 N113	G73-D77 PolarHBondContact O-N 2.74Å; Y74-D77 PolarHBondContact O-N 3.32Å; D77-R80 PolarHBondContact O-N 2.94Å; D77-R80 IonicContact OD1-CZ 3.87Å; D77-R80 IonicContact OD1-NH1 3.42Å; D77-R80 PolarHBondContact OD1-NH1 3.21Å; D77-A81 PolarHBondContact O-N 3.22Å; D77-R112 IonicContact OD1-CZ 3.09Å; D77-R112 IonicContact OD1-NE 2.7Å; D77-R112 PolarHBondContact OD1-NE 2.74Å; D77-R112 IonicContact OD1-NH2 3.14Å; D77-R112 PolarHBondContact OD1-NH2 3.22Å; D77-R112 IonicContact OD2-CZ 3.54Å; D77-R112 IonicContact OD2-NE 3.9Å; D77-R112 IonicContact OD2-NH2 2.7Å; D77-R112 PolarHBondContact OD2-NH2 3.13Å; D77-N113 PolarHBondContact OD2-ND2 3.41Å
78	V	91.9	Very high	88.6	Confident	86 Å²	86	77.4 Å²	77.4	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-46.4	169	173.8	0	0	0	0	111	Y74 L75 R80 A81 V82	Y74-V78 WeakPolarHBondContact O-CG2 3.44Å; Y74-V78 PolarHBondContact O-N 2.82Å; L75-V78 PolarHBondContact O-N 2.93Å; V78-R80 VanDerWaalsContact C-N 3.26Å; V78-R80 PolarHBondContact O-N 2.7Å; V78-A81 WeakPolarHBondContact O-CB 3.32Å; V78-A81 PolarHBondContact O-N 2.74Å; V78-A81 VanDerWaalsContact O-N 3.07Å; V78-V82 WeakPolarHBondContact O-CG2 3.24Å; V78-V82 PolarHBondContact O-N 2.87Å
79	L	91.3	Very high	87.7	Confident	57 Å²	57	76.1 Å²	76.1	30%	0.298	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-32.7	177.3	-70.1	172	0	0	0	112.8	L75 R76 G83 L84 E85	L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CG 3.31Å; L75-L79 PolarHBondContact O-N 3.35Å; R76-L79 PolarHBondContact O-N 2.96Å; L79-G83 PolarHBondContact O-N 3.47Å; L79-L84 HydrophobicContact CB-CB 4.48Å; L79-L84 HydrophobicContact CD2-CB 4.09Å; L79-L84 HydrophobicContact CD2-CD1 3.83Å; L79-L84 PolarHBondContact O-N 3.46Å; L79-E85 HydrophobicContact CB-CB 4.01Å; L79-E85 PolarHBondContact O-N 3.08Å
80	R	88.7	Confident	86.7	Confident	30 Å²	30	78.6 Å²	78.6	11%	0.113	44%	0.438	C	S	.	.	H	α-helix	trans	-70.2	-42.4	171.3	-68.8	168.7	-164.9	135.9	5.1	112.1	R76 D77 V78 V82 G83 E85 C87 N113	R76-R80 VanDerWaalsContact O-CG 3.31Å; R76-R80 WeakPolarHBondContact O-CG 3.35Å; R76-R80 PolarHBondContact O-N 3.03Å; D77-R80 PolarHBondContact O-N 2.94Å; D77-R80 IonicContact OD1-CZ 3.87Å; D77-R80 IonicContact OD1-NH1 3.42Å; D77-R80 PolarHBondContact OD1-NH1 3.21Å; V78-R80 VanDerWaalsContact C-N 3.26Å; V78-R80 PolarHBondContact O-N 2.7Å; R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 3.34Å; R80-G83 PolarHBondContact O-N 3.02Å; R80-E85 WeakPolarHBondContact CA-O 3.38Å; R80-E85 HydrophobicContact CG-CB 3.92Å; R80-E85 HydrophobicContact CG-CG 4.24Å; R80-E85 WeakPolarHBondContact CG-O 3.35Å; R80-E85 IonicContact CZ-OE1 2.67Å; R80-E85 IonicContact NE-OE1 3.71Å; R80-E85 PolarHBondContact NE-OE1 2.89Å; R80-E85 IonicContact NH2-OE1 2.74Å; R80-E85 PolarHBondContact NH2-OE1 3.43Å; R80-C87 HydrophobicContact CG-CB 4.41Å; R80-N113 PolarHBondContact NH1-OD1 2.92Å; R80-N113 PolarHBondContact NH2-OD1 2.95Å
81	A	86.8	Confident	85.7	Confident	88 Å²	88	84.5 Å²	84.5	73%	0.727	46%	0.463	S	S	*	.	H	α-helix	trans	-62.9	-32.1	178.5	0	0	0	0	0	112.9	D77 V78	D77-A81 PolarHBondContact O-N 3.22Å; V78-A81 WeakPolarHBondContact O-CB 3.32Å; V78-A81 PolarHBondContact O-N 2.74Å; V78-A81 VanDerWaalsContact O-N 3.07Å
82	V	91.6	Very high	84.7	Confident	94 Å²	94	84 Å²	84	57%	0.57	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	10.5	172.9	-56.1	0	0	0	0	114	V78 R80 L84	V78-V82 WeakPolarHBondContact O-CG2 3.24Å; V78-V82 PolarHBondContact O-N 2.87Å; R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 3.34Å; V82-L84 VanDerWaalsContact C-N 3.25Å; V82-L84 HydrophobicContact CG2-CB 4.23Å; V82-L84 HydrophobicContact CG2-CD1 3.76Å; V82-L84 HydrophobicContact CG2-CG 3.86Å; V82-L84 PolarHBondContact O-N 2.79Å
83	G	86.6	Confident	84.1	Confident	64 Å²	64	86.1 Å²	86.1	66%	0.66	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	4.4	175.3	0	0	0	0	0	116.6	L79 R80	L79-G83 PolarHBondContact O-N 3.47Å; R80-G83 PolarHBondContact O-N 3.02Å
84	L	89	Confident	83.6	Confident	140 Å²	140	92.8 Å²	92.8	73%	0.733	49%	0.493	S	S	*	.	S	Bend	trans	-77.9	-24	179.4	-68.5	175.9	0	0	0	113.2	L79 V82	L79-L84 HydrophobicContact CB-CB 4.48Å; L79-L84 HydrophobicContact CD2-CB 4.09Å; L79-L84 HydrophobicContact CD2-CD1 3.83Å; L79-L84 PolarHBondContact O-N 3.46Å; V82-L84 VanDerWaalsContact C-N 3.25Å; V82-L84 HydrophobicContact CG2-CB 4.23Å; V82-L84 HydrophobicContact CG2-CD1 3.76Å; V82-L84 HydrophobicContact CG2-CG 3.86Å; V82-L84 PolarHBondContact O-N 2.79Å
85	E	84.4	Confident	83.3	Confident	40 Å²	40	93.3 Å²	93.3	19%	0.187	50%	0.5	C	S	.	.	S	Bend	trans	-119.4	135.1	171.4	-170.8	-170.7	131.6	0	0	111	R76 L79 R80 C87	R76-E85 WeakPolarHBondContact CB-OE2 3.5Å; R76-E85 VanDerWaalsContact CG-OE2 3.29Å; R76-E85 WeakPolarHBondContact CG-OE2 3.39Å; R76-E85 IonicContact CZ-OE1 3.78Å; R76-E85 VanDerWaalsContact CZ-OE1 3.31Å; R76-E85 IonicContact CZ-OE2 3.23Å; R76-E85 IonicContact NE-OE1 3.2Å; R76-E85 PolarHBondContact NE-OE1 2.9Å; R76-E85 IonicContact NE-OE2 2.73Å; R76-E85 PolarHBondContact NE-OE2 3.4Å; R76-E85 IonicContact NH2-OE1 3.38Å; R76-E85 PolarHBondContact NH2-OE1 2.8Å; R76-E85 IonicContact NH2-OE2 2.83Å; R76-E85 PolarHBondContact NH2-OE2 2.79Å; L79-E85 HydrophobicContact CB-CB 4.01Å; L79-E85 PolarHBondContact O-N 3.08Å; R80-E85 WeakPolarHBondContact CA-O 3.38Å; R80-E85 HydrophobicContact CG-CB 3.92Å; R80-E85 HydrophobicContact CG-CG 4.24Å; R80-E85 WeakPolarHBondContact CG-O 3.35Å; R80-E85 IonicContact CZ-OE1 2.67Å; R80-E85 IonicContact NE-OE1 3.71Å; R80-E85 PolarHBondContact NE-OE1 2.89Å; R80-E85 IonicContact NH2-OE1 2.74Å; R80-E85 PolarHBondContact NH2-OE1 3.43Å; E85-C87 PolarHBondContact O-N 3.08Å
86	K	79.6	Confident	82.8	Confident	171 Å²	171	92.2 Å²	92.2	74%	0.743	49%	0.493	S	S	*	.			trans	-69.9	127	173.4	-66	-175	178.4	-177.7	0	111	H88	K86-H88 PolarHBondContact O-CD2 3.43Å
87	C	73	Confident	82.2	Confident	47 Å²	47	95.1 Å²	95.1	32%	0.318	51%	0.507	S	S	.	.			trans	-81.3	122	165.9	-163.8	0	0	0	0	109.5	R80 E85	R80-C87 HydrophobicContact CG-CB 4.41Å; E85-C87 PolarHBondContact O-N 3.08Å
88	H	74	Confident	82	Confident	105 Å²	105	101.2 Å²	101.2	49%	0.486	54%	0.54	S	S	.	.			trans	-95.9	-0.8	174.6	-66.9	-97.1	0	0	0	112.9	K86 W146	K86-H88 PolarHBondContact O-CD2 3.43Å; H88-W146 HydrophobicContact CB-CD2 3.54Å; H88-W146 HydrophobicContact CB-CE3 4.03Å; H88-W146 HydrophobicContact CB-CG 3.72Å; H88-W146 HydrophobicContact CB-CZ2 4.34Å; H88-W146 AromaticContact CD2-CD1 3.97Å; H88-W146 AromaticContact CD2-NE1 3.92Å; H88-W146 AromaticContact CG-CD1 3.8Å; H88-W146 AromaticContact CG-NE1 3.96Å
89	V	74.1	Confident	81.8	Confident	53 Å²	53	103.4 Å²	103.4	32%	0.321	54%	0.542	S	S	.	.	S	Bend	trans	-80.4	141.1	171.1	-171.2	0	0	0	0	108.5	Q91 R112 W146	V89-Q91 PolarHBondContact O-N 3.12Å; V89-R112 HydrophobicContact CG2-CB 4.26Å; V89-R112 HydrophobicContact CG2-CG 3.79Å; V89-W146 HydrophobicContact CG2-CH2 3.29Å; V89-W146 HydrophobicContact CG2-CZ2 4.19Å; V89-W146 HydrophobicContact CG2-CZ3 3.69Å
90	A	70.3	Confident	81.4	Confident	96 Å²	96	106.8 Å²	106.8	79%	0.793	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.4	166.9	0	0	0	0	0	109.6
91	Q	71.3	Confident	80.9	Confident	162 Å²	162	109.9 Å²	109.9	76%	0.757	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-76.3	141.1	171.8	-71.3	177.6	-33.6	0	0	109.3	V89	V89-Q91 PolarHBondContact O-N 3.12Å
92	E	74.4	Confident	80.5	Confident	111 Å²	111	113.1 Å²	113.1	52%	0.519	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-64.4	134.5	170.2	-170.7	159.2	-109.3	0	0	109.3	Q96	E92-Q96 HydrophobicContact CG-CB 3.73Å
93	R	80.4	Confident	79.7	Confident	156 Å²	156	115.8 Å²	115.8	59%	0.589	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-72.2	154.2	179.6	-58.1	178.1	-174.1	-170.8	0.9	109.9	E95 Q96 K97	R93-E95 HydrophobicContact CB-CB 4.21Å; R93-E95 WeakPolarHBondContact CD-OE2 3.22Å; R93-E95 IonicContact NH1-OE2 3.92Å; R93-E95 PolarHBondContact NH1-OE2 3.48Å; R93-E95 PolarHBondContact O-N 3.26Å; R93-E95 VanDerWaalsContact O-N 3.17Å; R93-Q96 HydrophobicContact CB-CG 4.14Å; R93-Q96 VanDerWaalsContact CG-OE1 3.28Å; R93-Q96 PolarHBondContact O-N 2.87Å; R93-K97 PolarHBondContact O-N 2.96Å
94	E	81.9	Confident	79.3	Confident	142 Å²	142	119.3 Å²	119.3	66%	0.664	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-50.5	-40.8	170.7	-59.4	-58.2	135.6	0	0	111.5	Q96 K97	E94-Q96 PolarHBondContact O-N 3.29Å; E94-K97 PolarHBondContact O-N 3.02Å; E94-K97 WeakPolarHBondContact OE1-CE 3.31Å; E94-K97 IonicContact OE1-NZ 3.71Å; E94-K97 PolarHBondContact OE1-NZ 3.18Å; E94-K97 WeakPolarHBondContact OE2-CE 3.1Å; E94-K97 IonicContact OE2-NZ 2.67Å; E94-K97 PolarHBondContact OE2-NZ 2.85Å
95	E	86.4	Confident	78.8	Confident	141 Å²	141	119.1 Å²	119.1	66%	0.659	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-55.4	-17.3	174.6	-56.8	165	164.1	0	0	115.2	R93	R93-E95 HydrophobicContact CB-CB 4.21Å; R93-E95 WeakPolarHBondContact CD-OE2 3.22Å; R93-E95 IonicContact NH1-OE2 3.92Å; R93-E95 PolarHBondContact NH1-OE2 3.48Å; R93-E95 PolarHBondContact O-N 3.26Å; R93-E95 VanDerWaalsContact O-N 3.17Å
96	Q	82.6	Confident	78.8	Confident	67 Å²	67	122 Å²	122	31%	0.313	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-119	-7.8	-168.3	-61.7	-179	-79.7	0	0	113.4	E92 R93 E94 D98 F99	E92-Q96 HydrophobicContact CG-CB 3.73Å; R93-Q96 HydrophobicContact CB-CG 4.14Å; R93-Q96 VanDerWaalsContact CG-OE1 3.28Å; R93-Q96 PolarHBondContact O-N 2.87Å; E94-Q96 PolarHBondContact O-N 3.29Å; Q96-D98 PolarHBondContact O-N 3.17Å; Q96-F99 HydrophobicContact CB-CD2 4.4Å; Q96-F99 HydrophobicContact CG-CE2 4.28Å; Q96-F99 VanDerWaalsContact O-CB 3.24Å; Q96-F99 WeakPolarHBondContact O-CB 3.24Å; Q96-F99 PolarHBondContact O-N 2.89Å
97	K	78.8	Confident	78.9	Confident	114 Å²	114	118.4 Å²	118.4	50%	0.496	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.4	-23	-176	-70.1	-179	179.5	171.5	0	114.5	R93 E94 F99	R93-K97 PolarHBondContact O-N 2.96Å; E94-K97 PolarHBondContact O-N 3.02Å; E94-K97 WeakPolarHBondContact OE1-CE 3.31Å; E94-K97 IonicContact OE1-NZ 3.71Å; E94-K97 PolarHBondContact OE1-NZ 3.18Å; E94-K97 WeakPolarHBondContact OE2-CE 3.1Å; E94-K97 IonicContact OE2-NZ 2.67Å; E94-K97 PolarHBondContact OE2-NZ 2.85Å; K97-F99 VanDerWaalsContact C-N 3.31Å
98	D	85.3	Confident	79.4	Confident	162 Å²	162	119.1 Å²	119.1	87%	0.866	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-0.7	175.7	-64.6	-36.3	0	0	0	113	Q96	Q96-D98 PolarHBondContact O-N 3.17Å
99	F	86.9	Confident	80.1	Confident	132 Å²	132	114.6 Å²	114.6	58%	0.579	57%	0.571	S	S	*	*	S	Bend	trans	-81.3	149.6	179.4	-68.6	14.2	0	0	0	110.7	Q96 K97 P101	Q96-F99 HydrophobicContact CB-CD2 4.4Å; Q96-F99 HydrophobicContact CG-CE2 4.28Å; Q96-F99 VanDerWaalsContact O-CB 3.24Å; Q96-F99 WeakPolarHBondContact O-CB 3.24Å; Q96-F99 PolarHBondContact O-N 2.89Å; K97-F99 VanDerWaalsContact C-N 3.31Å; F99-P101 VanDerWaalsContact O-CD 3.29Å; F99-P101 WeakPolarHBondContact O-CD 3.33Å
100	T	84.6	Confident	80.7	Confident	128 Å²	128	113.9 Å²	113.9	79%	0.785	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-59.4	121.1	173.3	-52.3	0	0	0	0	110.5	L102	T100-L102 PolarHBondContact O-N 3.5Å
101	P	78	Confident	81.5	Confident	94 Å²	94	112.4 Å²	112.4	61%	0.61	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-58.7	130.5	-178.9	-27.6	36.2	0	0	0	112.7	F99 Y103	F99-P101 VanDerWaalsContact O-CD 3.29Å; F99-P101 WeakPolarHBondContact O-CD 3.33Å; P101-Y103 VanDerWaalsContact C-N 3.29Å; P101-Y103 PolarHBondContact O-N 3.31Å
102	L	77.7	Confident	82.2	Confident	157 Å²	157	107.8 Å²	107.8	82%	0.822	52%	0.52	S	S	*	.	S	Bend	trans	-76.6	-14.4	-178.8	-62.9	178.3	0	0	0	113.9	T100	T100-L102 PolarHBondContact O-N 3.5Å
103	Y	74.1	Confident	82.9	Confident	150 Å²	150	102.6 Å²	102.6	59%	0.588	50%	0.495	S	S	*	.	S	Bend	trans	-138.9	153.6	-175.5	-57.9	-68.7	0	0	0	110.2	P101 N108	P101-Y103 VanDerWaalsContact C-N 3.29Å; P101-Y103 PolarHBondContact O-N 3.31Å; Y103-N108 WeakPolarHBondContact CB-OD1 3.37Å
104	Q	78.1	Confident	83.3	Confident	138 Å²	138	96.1 Å²	96.1	65%	0.645	47%	0.473	S	S	*	.			trans	-76.3	147.1	173.5	-57.9	-173.7	1.1	0	0	111	F106 E107 N108	Q104-F106 PolarHBondContact O-N 3.33Å; Q104-F106 VanDerWaalsContact O-N 3.14Å; Q104-E107 HydrophobicContact CB-CG 4.13Å; Q104-E107 PolarHBondContact N-OE2 2.87Å; Q104-E107 VanDerWaalsContact N-OE2 3.12Å; Q104-E107 WeakPolarHBondContact O-CA 3.38Å; Q104-E107 WeakPolarHBondContact O-CB 3.35Å; Q104-E107 PolarHBondContact O-N 3.43Å; Q104-N108 PolarHBondContact O-N 3.35Å
105	D	79.9	Confident	83.6	Confident	136 Å²	136	92.6 Å²	92.6	73%	0.727	45%	0.454	S	S	*	.	H	α-helix	trans	-53.6	-38.9	-179.1	-63.8	-44.9	0	0	0	113.1	N108 F109	D105-N108 PolarHBondContact O-N 3.34Å; D105-F109 VanDerWaalsContact O-CB 3.27Å; D105-F109 WeakPolarHBondContact O-CB 3.47Å; D105-F109 PolarHBondContact O-N 2.96Å
106	F	83.4	Confident	83.7	Confident	100 Å²	100	86.5 Å²	86.5	44%	0.439	43%	0.425	S	S	.	.	H	α-helix	trans	-69.4	-34.4	177.3	-174.8	-106.7	0	0	0	112.9	Q104 F109 Y110 F486	Q104-F106 PolarHBondContact O-N 3.33Å; Q104-F106 VanDerWaalsContact O-N 3.14Å; F106-F109 HydrophobicContact CD2-CD1 4.44Å; F106-F109 HydrophobicContact CE2-CD1 4.44Å; F106-Y110 WeakPolarHBondContact O-CB 3.3Å; F106-Y110 PolarHBondContact O-N 2.9Å; F106-F486 AromaticContact CE1-CE1 3.74Å; F106-F486 HydrophobicContact CE1-CE1 3.74Å; F106-F486 AromaticContact CE1-CZ 3.96Å; F106-F486 HydrophobicContact CE1-CZ 3.96Å
107	E	81.2	Confident	84	Confident	96 Å²	96	88.9 Å²	88.9	45%	0.449	43%	0.431	S	S	.	.	H	α-helix	trans	-69.7	-42.2	175	-64	177.7	133	0	0	110.9	Q104 Y110 T111	Q104-E107 HydrophobicContact CB-CG 4.13Å; Q104-E107 PolarHBondContact N-OE2 2.87Å; Q104-E107 VanDerWaalsContact N-OE2 3.12Å; Q104-E107 WeakPolarHBondContact O-CA 3.38Å; Q104-E107 WeakPolarHBondContact O-CB 3.35Å; Q104-E107 PolarHBondContact O-N 3.43Å; E107-Y110 PolarHBondContact O-N 2.98Å; E107-T111 WeakPolarHBondContact O-CB 3.45Å; E107-T111 PolarHBondContact O-N 2.98Å; E107-T111 PolarHBondContact O-OG1 3.23Å
108	N	84.2	Confident	84.6	Confident	61 Å²	61	85 Å²	85	33%	0.326	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-49.2	172.6	-80.3	-32.3	0	0	0	111.4	Y103 Q104 D105 R112	Y103-N108 WeakPolarHBondContact CB-OD1 3.37Å; Q104-N108 PolarHBondContact O-N 3.35Å; D105-N108 PolarHBondContact O-N 3.34Å; N108-R112 VanDerWaalsContact O-CB 3.25Å; N108-R112 WeakPolarHBondContact O-CB 3.44Å; N108-R112 PolarHBondContact O-N 3.45Å
109	F	87.9	Confident	84.9	Confident	10 Å²	10	80.1 Å²	80.1	4%	0.044	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-51.1	176.4	172.9	-91.8	0	0	0	112.2	T70 Y74 D105 F106 T111 R112 N113 L114	T70-F109 HydrophobicContact CG2-CE1 4.03Å; T70-F109 HydrophobicContact CG2-CZ 4.07Å; Y74-F109 HydrophobicContact CD1-CD2 4.24Å; Y74-F109 AromaticContact CD1-CE2 3.61Å; Y74-F109 HydrophobicContact CD1-CE2 3.61Å; Y74-F109 HydrophobicContact CD1-CZ 4.27Å; Y74-F109 HydrophobicContact CD2-CE2 4.02Å; Y74-F109 AromaticContact CD2-CZ 3.85Å; Y74-F109 HydrophobicContact CD2-CZ 3.85Å; Y74-F109 AromaticContact CE1-CD2 3.97Å; Y74-F109 HydrophobicContact CE1-CD2 3.97Å; Y74-F109 AromaticContact CE1-CE2 3.66Å; Y74-F109 HydrophobicContact CE1-CE2 3.66Å; Y74-F109 HydrophobicContact CE1-CZ 4.23Å; Y74-F109 HydrophobicContact CE2-CE1 4.42Å; Y74-F109 HydrophobicContact CE2-CE2 4.08Å; Y74-F109 AromaticContact CE2-CZ 3.81Å; Y74-F109 HydrophobicContact CE2-CZ 3.81Å; Y74-F109 AromaticContact CG-CE2 3.79Å; Y74-F109 HydrophobicContact CG-CE2 3.79Å; Y74-F109 HydrophobicContact CG-CZ 4.08Å; Y74-F109 AromaticContact CZ-CE2 3.9Å; Y74-F109 AromaticContact CZ-CZ 4Å; D105-F109 VanDerWaalsContact O-CB 3.27Å; D105-F109 WeakPolarHBondContact O-CB 3.47Å; D105-F109 PolarHBondContact O-N 2.96Å; F106-F109 HydrophobicContact CD2-CD1 4.44Å; F106-F109 HydrophobicContact CE2-CD1 4.44Å; F109-T111 VanDerWaalsContact C-N 3.32Å; F109-T111 PolarHBondContact O-N 2.97Å; F109-R112 PolarHBondContact O-N 3.36Å; F109-N113 WeakPolarHBondContact CD2-ND2 3.46Å; F109-N113 VanDerWaalsContact CE2-ND2 3.28Å; F109-N113 WeakPolarHBondContact CE2-ND2 3.5Å; F109-N113 WeakPolarHBondContact O-CB 3.38Å; F109-N113 PolarHBondContact O-N 2.78Å; F109-N113 PolarHBondContact O-ND2 3.12Å; F109-L114 HydrophobicContact CE1-CD1 4.07Å
110	Y	87.4	Confident	85.2	Confident	38 Å²	38	74.6 Å²	74.6	15%	0.149	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-42.5	-179.3	-175	-96.6	0	0	0	111.2	F106 E107 L114 Y115 F486	F106-Y110 WeakPolarHBondContact O-CB 3.3Å; F106-Y110 PolarHBondContact O-N 2.9Å; E107-Y110 PolarHBondContact O-N 2.98Å; Y110-L114 HydrophobicContact CD2-CB 4.08Å; Y110-L114 HydrophobicContact CD2-CD2 3.63Å; Y110-L114 HydrophobicContact CD2-CG 4.42Å; Y110-L114 HydrophobicContact CE2-CB 4.11Å; Y110-L114 HydrophobicContact CE2-CD2 3.6Å; Y110-L114 HydrophobicContact CG-CB 4.5Å; Y110-L114 WeakPolarHBondContact O-CA 3.43Å; Y110-L114 WeakPolarHBondContact O-CB 3.47Å; Y110-L114 PolarHBondContact O-N 3.32Å; Y110-Y115 PolarHBondContact O-N 3.38Å; Y110-F486 HydrophobicContact CD2-CD1 4.4Å; Y110-F486 HydrophobicContact CE1-CD1 4.36Å; Y110-F486 AromaticContact CE2-CD1 3.94Å; Y110-F486 HydrophobicContact CE2-CD1 3.94Å; Y110-F486 AromaticContact CZ-CD1 3.9Å; Y110-F486 PolarHBondContact OH-O 2.88Å
111	T	86.4	Confident	85.6	Confident	65 Å²	65	69.4 Å²	69.4	40%	0.399	33%	0.331	S	S	.	.	I	π-helix	trans	-62	-58.9	176.9	-58.7	0	0	0	0	110.3	E107 F109 N113 M116	E107-T111 WeakPolarHBondContact O-CB 3.45Å; E107-T111 PolarHBondContact O-N 2.98Å; E107-T111 PolarHBondContact O-OG1 3.23Å; F109-T111 VanDerWaalsContact C-N 3.32Å; F109-T111 PolarHBondContact O-N 2.97Å; T111-N113 PolarHBondContact O-N 3.29Å; T111-M116 HydrophobicContact CG2-CG 4.47Å; T111-M116 WeakPolarHBondContact O-CG 3.29Å; T111-M116 PolarHBondContact O-N 3.1Å; T111-M116 VanDerWaalsContact O-N 3.11Å
112	R	86.9	Confident	86.2	Confident	66 Å²	66	67.9 Å²	67.9	25%	0.249	31%	0.313	C	S	.	.	I	π-helix	trans	-59.8	-41.3	-175.6	179.8	171.1	64.3	-121.3	-0.2	113.3	D77 V89 N108 F109	D77-R112 IonicContact OD1-CZ 3.09Å; D77-R112 IonicContact OD1-NE 2.7Å; D77-R112 PolarHBondContact OD1-NE 2.74Å; D77-R112 IonicContact OD1-NH2 3.14Å; D77-R112 PolarHBondContact OD1-NH2 3.22Å; D77-R112 IonicContact OD2-CZ 3.54Å; D77-R112 IonicContact OD2-NE 3.9Å; D77-R112 IonicContact OD2-NH2 2.7Å; D77-R112 PolarHBondContact OD2-NH2 3.13Å; V89-R112 HydrophobicContact CG2-CB 4.26Å; V89-R112 HydrophobicContact CG2-CG 3.79Å; N108-R112 VanDerWaalsContact O-CB 3.25Å; N108-R112 WeakPolarHBondContact O-CB 3.44Å; N108-R112 PolarHBondContact O-N 3.45Å; F109-R112 PolarHBondContact O-N 3.36Å
113	N	88.6	Confident	86.8	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	31%	0.307	C	S	.	.	I	π-helix	trans	-102.5	-32.3	-169.2	-69	-46	0	0	0	115.2	G73 D77 R80 F109 T111 R117	G73-N113 PolarHBondContact O-ND2 2.63Å; D77-N113 PolarHBondContact OD2-ND2 3.41Å; R80-N113 PolarHBondContact NH1-OD1 2.92Å; R80-N113 PolarHBondContact NH2-OD1 2.95Å; F109-N113 WeakPolarHBondContact CD2-ND2 3.46Å; F109-N113 VanDerWaalsContact CE2-ND2 3.28Å; F109-N113 WeakPolarHBondContact CE2-ND2 3.5Å; F109-N113 WeakPolarHBondContact O-CB 3.38Å; F109-N113 PolarHBondContact O-N 2.78Å; F109-N113 PolarHBondContact O-ND2 3.12Å; T111-N113 PolarHBondContact O-N 3.29Å; N113-R117 WeakPolarHBondContact O-CD 3.47Å; N113-R117 WeakPolarHBondContact O-CG 3.32Å
114	L	88.9	Confident	87.6	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.11	29%	0.291	C	S	.	.	I	π-helix	trans	-106.9	-65.6	-175.2	-77.4	64.9	0	0	0	110.3	V69 F109 Y110 M116 R117	V69-L114 HydrophobicContact CB-CG 4.37Å; V69-L114 HydrophobicContact CG2-CD2 3.73Å; V69-L114 HydrophobicContact CG2-CG 4.04Å; F109-L114 HydrophobicContact CE1-CD1 4.07Å; Y110-L114 HydrophobicContact CD2-CB 4.08Å; Y110-L114 HydrophobicContact CD2-CD2 3.63Å; Y110-L114 HydrophobicContact CD2-CG 4.42Å; Y110-L114 HydrophobicContact CE2-CB 4.11Å; Y110-L114 HydrophobicContact CE2-CD2 3.6Å; Y110-L114 HydrophobicContact CG-CB 4.5Å; Y110-L114 WeakPolarHBondContact O-CA 3.43Å; Y110-L114 WeakPolarHBondContact O-CB 3.47Å; Y110-L114 PolarHBondContact O-N 3.32Å; L114-M116 PolarHBondContact O-N 2.85Å; L114-R117 PolarHBondContact O-N 3.2Å
115	Y	88.8	Confident	88.3	Confident	68 Å²	68	58.4 Å²	58.4	27%	0.267	28%	0.275	S	S	.	.	I	π-helix	trans	-58.4	-46.9	-171.8	176.7	-106.5	0	0	0	113.4	Y110 R117 V118 R119 W122	Y110-Y115 PolarHBondContact O-N 3.38Å; Y115-R117 VanDerWaalsContact C-N 3.28Å; Y115-R117 PolarHBondContact O-N 3.04Å; Y115-V118 CarbonylContact O-C 3.52Å; Y115-V118 WeakPolarHBondContact O-CG2 3.44Å; Y115-V118 PolarHBondContact O-N 3.39Å; Y115-R119 HydrophobicContact CE1-CB 4.32Å; Y115-R119 HydrophobicContact CE1-CG 3.79Å; Y115-R119 PolarHBondContact O-N 2.78Å; Y115-W122 HydrophobicContact CD2-CZ3 4.41Å; Y115-W122 HydrophobicContact CE2-CD2 4.45Å; Y115-W122 AromaticContact CE2-CE3 3.9Å; Y115-W122 HydrophobicContact CE2-CE3 3.9Å; Y115-W122 HydrophobicContact CE2-CZ3 4.19Å
116	M	88.9	Confident	89	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.059	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56.8	-41.3	-176.9	-74.4	-58.7	-54.8	0	0	112.3	T111 L114 V118 R119 N145 W146	T111-M116 HydrophobicContact CG2-CG 4.47Å; T111-M116 WeakPolarHBondContact O-CG 3.29Å; T111-M116 PolarHBondContact O-N 3.1Å; T111-M116 VanDerWaalsContact O-N 3.11Å; L114-M116 PolarHBondContact O-N 2.85Å; M116-V118 PolarHBondContact O-N 2.96Å; M116-R119 PolarHBondContact O-N 2.98Å; M116-N145 WeakPolarHBondContact CE-O 3.18Å; M116-N145 VanDerWaalsContact O-CB 3.29Å; M116-N145 WeakPolarHBondContact O-CB 3.43Å; M116-N145 PolarHBondContact O-ND2 3.38Å; M116-W146 HydrophobicContact CB-CH2 4.29Å; M116-W146 HydrophobicContact CB-CZ2 4.22Å; M116-W146 HydrophobicContact CE-CB 4.5Å; M116-W146 HydrophobicContact CE-CD2 3.81Å; M116-W146 HydrophobicContact CE-CE3 3.54Å; M116-W146 HydrophobicContact CE-CG 4.3Å; M116-W146 HydrophobicContact CE-CH2 4.4Å; M116-W146 HydrophobicContact CE-CZ3 3.86Å; M116-W146 HydrophobicContact CG-CH2 3.73Å; M116-W146 HydrophobicContact CG-CZ2 4.18Å; M116-W146 HydrophobicContact CG-CZ3 3.94Å; M116-W146 HydrophobicContact SD-CZ3 4.26Å
117	R	88.6	Confident	89.5	Confident	117 Å²	117	53.9 Å²	53.9	44%	0.442	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-58.7	-15.6	178.9	-59.4	179.1	70.1	172.4	1.9	114.5	N113 L114 Y115 N145	N113-R117 WeakPolarHBondContact O-CD 3.47Å; N113-R117 WeakPolarHBondContact O-CG 3.32Å; L114-R117 PolarHBondContact O-N 3.2Å; Y115-R117 VanDerWaalsContact C-N 3.28Å; Y115-R117 PolarHBondContact O-N 3.04Å; R117-N145 PolarHBondContact O-ND2 2.98Å
118	V	91.4	Very high	90.1	Very high	34 Å²	34	51.4 Å²	51.4	21%	0.206	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-131.2	3.9	-170.9	-60.7	0	0	0	0	113	Y115 M116 D120 N121 W122 V468	Y115-V118 CarbonylContact O-C 3.52Å; Y115-V118 WeakPolarHBondContact O-CG2 3.44Å; Y115-V118 PolarHBondContact O-N 3.39Å; M116-V118 PolarHBondContact O-N 2.96Å; V118-D120 VanDerWaalsContact C-OD1 3.31Å; V118-D120 PolarHBondContact O-N 2.65Å; V118-N121 PolarHBondContact O-N 2.74Å; V118-N121 VanDerWaalsContact O-N 3.15Å; V118-N121 PolarHBondContact O-ND2 3.22Å; V118-W122 HydrophobicContact CB-CZ3 4.21Å; V118-W122 HydrophobicContact CG2-CH2 4.21Å; V118-W122 HydrophobicContact CG2-CZ3 3.8Å; V118-W122 WeakPolarHBondContact O-CZ3 3.3Å; V118-V468 HydrophobicContact CB-CG1 4.28Å; V118-V468 HydrophobicContact CB-CG2 3.74Å; V118-V468 HydrophobicContact CG1-CB 4.38Å; V118-V468 HydrophobicContact CG1-CG1 3.93Å; V118-V468 HydrophobicContact CG1-CG2 3.65Å; V118-V468 HydrophobicContact CG2-CG2 4.33Å
119	R	91.9	Very high	90.4	Very high	59 Å²	59	52.6 Å²	52.6	22%	0.223	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.8	-21.2	-177.1	-166.7	178.9	74.8	167.8	6.6	114.1	Y115 M116 N121 W122 R139 N145 W146 T147 F148	Y115-R119 HydrophobicContact CE1-CB 4.32Å; Y115-R119 HydrophobicContact CE1-CG 3.79Å; Y115-R119 PolarHBondContact O-N 2.78Å; M116-R119 PolarHBondContact O-N 2.98Å; R119-N121 PolarHBondContact O-N 3.31Å; R119-N121 VanDerWaalsContact O-N 3.08Å; R119-W122 PolarHBondContact O-N 3.4Å; R119-R139 PolarHBondContact O-NH2 2.84Å; R119-N145 HydrophobicContact CB-CB 4.19Å; R119-N145 PolarHBondContact NE-O 3.32Å; R119-N145 PolarHBondContact NH2-O 2.88Å; R119-W146 PolarHBondContact NH1-O 3.23Å; R119-W146 PolarHBondContact NH2-O 3.3Å; R119-T147 PolarHBondContact NH2-O 2.88Å; R119-F148 HydrophobicContact CG-CE2 4.22Å
120	D	92.7	Very high	90.2	Very high	16 Å²	16	54.4 Å²	54.4	9%	0.086	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58	-19.6	175.6	58.9	-72.5	0	0	0	114.4	V118 R124 R139 N145 F148 R472	V118-D120 VanDerWaalsContact C-OD1 3.31Å; V118-D120 PolarHBondContact O-N 2.65Å; D120-R124 VanDerWaalsContact O-CZ 3.25Å; D120-R124 PolarHBondContact O-NE 3.46Å; D120-R124 PolarHBondContact O-NH2 2.92Å; D120-R139 PolarHBondContact O-NH2 3.23Å; D120-N145 PolarHBondContact OD1-ND2 3.13Å; D120-F148 HydrophobicContact CB-CE1 4.22Å; D120-F148 HydrophobicContact CB-CZ 4.08Å; D120-R472 VanDerWaalsContact CG-NH2 3.28Å; D120-R472 IonicContact OD1-CZ 3.79Å; D120-R472 IonicContact OD1-NE 3.8Å; D120-R472 IonicContact OD1-NH2 3.99Å; D120-R472 PolarHBondContact OD1-NH2 3.47Å; D120-R472 IonicContact OD2-CZ 2.84Å; D120-R472 IonicContact OD2-NE 2.74Å; D120-R472 PolarHBondContact OD2-NE 3.31Å; D120-R472 IonicContact OD2-NH2 3.92Å; D120-R472 PolarHBondContact OD2-NH2 2.89Å; D120-R472 VanDerWaalsContact OD2-NH2 3.13Å
121	N	92.7	Very high	90.4	Very high	19 Å²	19	52.9 Å²	52.9	10%	0.102	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-82.7	-16.3	-177.8	-64.4	-80.6	0	0	0	114.3	V118 R119 A471 R472 V483	V118-N121 PolarHBondContact O-N 2.74Å; V118-N121 VanDerWaalsContact O-N 3.15Å; V118-N121 PolarHBondContact O-ND2 3.22Å; R119-N121 PolarHBondContact O-N 3.31Å; R119-N121 VanDerWaalsContact O-N 3.08Å; N121-A471 HydrophobicContact CB-CB 4.21Å; N121-A471 VanDerWaalsContact OD1-CB 3.28Å; N121-A471 WeakPolarHBondContact OD1-CB 3.28Å; N121-R472 WeakPolarHBondContact OD1-CG 3.41Å; N121-V483 HydrophobicContact CB-CG2 4.47Å
122	W	91.3	Very high	90.8	Very high	61 Å²	61	51 Å²	51	23%	0.231	26%	0.255	C	S	.	.	S	Bend	trans	-118.9	161.1	-177.1	-62.5	-84	0	0	0	112.6	Y115 V118 R119 R124 R139 V483	Y115-W122 HydrophobicContact CD2-CZ3 4.41Å; Y115-W122 HydrophobicContact CE2-CD2 4.45Å; Y115-W122 AromaticContact CE2-CE3 3.9Å; Y115-W122 HydrophobicContact CE2-CE3 3.9Å; Y115-W122 HydrophobicContact CE2-CZ3 4.19Å; V118-W122 HydrophobicContact CB-CZ3 4.21Å; V118-W122 HydrophobicContact CG2-CH2 4.21Å; V118-W122 HydrophobicContact CG2-CZ3 3.8Å; V118-W122 WeakPolarHBondContact O-CZ3 3.3Å; R119-W122 PolarHBondContact O-N 3.4Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 3.26Å; W122-R139 PolarHBondContact O-NH1 2.96Å; W122-R139 PolarHBondContact O-NH2 2.8Å; W122-V483 HydrophobicContact CZ2-CG2 3.87Å; W122-V483 PolarHBondContact NE1-O 3.01Å
123	N	90.2	Very high	91.2	Very high	133 Å²	133	50.7 Å²	50.7	71%	0.711	26%	0.258	S	S	*	.			trans	55.3	43.5	172.8	-52.4	-13	0	0	0	113.2	R139	N123-R139 PolarHBondContact O-NH1 2.85Å
124	R	91.3	Very high	91.6	Very high	66 Å²	66	51.4 Å²	51.4	25%	0.249	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-80.8	124.3	172	-71.2	-177.4	173.3	-102.9	-1.5	109.1	D120 W122 L136	D120-R124 VanDerWaalsContact O-CZ 3.25Å; D120-R124 PolarHBondContact O-NE 3.46Å; D120-R124 PolarHBondContact O-NH2 2.92Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 3.26Å; R124-L136 HydrophobicContact CB-CD2 4.22Å
125	P	92.9	Very high	92	Very high	47 Å²	47	52 Å²	52	31%	0.305	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-68.6	133.3	-179.4	-22.7	35.8	0	0	0	112.5	L136 M137 F150	P125-L136 WeakPolarHBondContact O-CA 3.34Å; P125-L136 WeakPolarHBondContact O-CD2 3.43Å; P125-M137 HydrophobicContact CB-CB 4.27Å; P125-M137 HydrophobicContact CB-CG 4.2Å; P125-M137 PolarHBondContact O-N 2.72Å; P125-F150 HydrophobicContact CG-CE1 3.79Å; P125-F150 HydrophobicContact CG-CZ 3.92Å
126	I	93.4	Very high	92.3	Very high	80 Å²	80	49.1 Å²	49.1	41%	0.41	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-85	140.6	167.2	-66.1	167.3	0	0	0	108.1	S128 F134 D135 L136	I126-S128 WeakPolarHBondContact CG2-O 3.39Å; I126-F134 HydrophobicContact CD1-CD1 3.95Å; I126-F134 HydrophobicContact CD1-CD2 4.42Å; I126-F134 HydrophobicContact CD1-CE1 4.04Å; I126-F134 HydrophobicContact CD1-CG 4.17Å; I126-F134 HydrophobicContact CD1-CZ 4.36Å; I126-F134 HydrophobicContact CG1-CD1 4.48Å; I126-F134 HydrophobicContact CG1-CD2 4.08Å; I126-F134 HydrophobicContact CG1-CE2 4.3Å; I126-F134 HydrophobicContact CG1-CG 4.22Å; I126-F134 HydrophobicContact CG2-CB 4.01Å; I126-F134 HydrophobicContact CG2-CG 4.34Å; I126-D135 WeakPolarHBondContact CA-O 3.28Å; I126-L136 HydrophobicContact CG1-CD2 3.67Å
127	C	94	Very high	92.6	Very high	61 Å²	61	51.1 Å²	51.1	41%	0.412	26%	0.264	S	S	.	.			trans	-123.9	12.8	179.8	55.5	0	0	0	0	114	D135 M137	C127-D135 PolarHBondContact N-O 3Å; C127-D135 PolarHBondContact SG-O 3.02Å; C127-M137 HydrophobicContact CB-CG 3.85Å; C127-M137 HydrophobicContact CB-SD 3.65Å
128	S	93.4	Very high	92.9	Very high	45 Å²	45	47.8 Å²	47.8	32%	0.315	25%	0.253	S	S	.	.	S	Bend	trans	-123.6	-175.2	171.4	68.6	0	0	0	0	111.1	I126 F134 D135	I126-S128 WeakPolarHBondContact CG2-O 3.39Å; S128-F134 VanDerWaalsContact OG-CA 3.23Å; S128-F134 WeakPolarHBondContact OG-CA 3.24Å; S128-F134 WeakPolarHBondContact OG-CB 3.38Å; S128-D135 PolarHBondContact OG-N 3.41Å
129	L	89.9	Confident	93	Very high	85 Å²	85	47.3 Å²	47.3	45%	0.445	25%	0.248	S	C	.	.			trans	-59.6	146.3	162.1	-59.3	172.9	0	0	0	110.9	G131 N172	L129-G131 VanDerWaalsContact C-N 3.26Å; L129-G131 PolarHBondContact O-N 3.13Å; L129-G131 VanDerWaalsContact O-N 3.11Å; L129-N172 HydrophobicContact CD1-CB 3.67Å; L129-N172 VanDerWaalsContact CD1-CG 3.48Å; L129-N172 WeakPolarHBondContact CD2-OD1 3.46Å
130	P	85.2	Confident	93.1	Very high	49 Å²	49	46.8 Å²	46.8	32%	0.318	25%	0.251	S	S	.	.			trans	-87.5	46.6	-175.7	37.4	-37.9	0	0	0	113.2	N160 A170	P130-N160 PolarHBondContact O-ND2 2.84Å; P130-A170 HydrophobicContact CG-CB 4.21Å
131	G	92.1	Very high	93.1	Very high	6 Å²	6	47.6 Å²	47.6	6%	0.062	26%	0.257	C	S	.	.	S	Bend	trans	-76	-161.9	-176.9	0	0	0	0	0	114.8	L129 I133 N160 E171	L129-G131 VanDerWaalsContact C-N 3.26Å; L129-G131 PolarHBondContact O-N 3.13Å; L129-G131 VanDerWaalsContact O-N 3.11Å; G131-I133 PolarHBondContact O-N 2.84Å; G131-N160 WeakPolarHBondContact O-CB 3.31Å; G131-N160 PolarHBondContact O-ND2 3.25Å; G131-E171 VanDerWaalsContact CA-CG 3.49Å
132	P	94.4	Very high	93	Very high	24 Å²	24	52.3 Å²	52.3	16%	0.156	28%	0.283	C	S	.	.	S	Bend	trans	-65.2	-19.2	174.3	29.9	-37.8	0	0	0	112.3	N160 E171 S503 M508	P132-N160 WeakPolarHBondContact O-CB 3.07Å; P132-N160 PolarHBondContact O-N 2.97Å; P132-E171 WeakPolarHBondContact CD-OE2 3.25Å; P132-S503 VanDerWaalsContact CB-O 3.31Å; P132-S503 WeakPolarHBondContact CB-O 3.48Å; P132-M508 HydrophobicContact CB-CE 4.44Å; P132-M508 HydrophobicContact CB-SD 4.04Å; P132-M508 HydrophobicContact CG-CE 4.48Å
133	I	95.7	Very high	92.9	Very high	61 Å²	61	51 Å²	51	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.2	167.8	-64.6	179.1	0	0	0	107.3	G131 N157 V158 M508	G131-I133 PolarHBondContact O-N 2.84Å; I133-N157 HydrophobicContact CG2-CB 4.19Å; I133-V158 CarbonylContact C-O 3.6Å; I133-V158 WeakPolarHBondContact CA-O 3.22Å; I133-M508 HydrophobicContact CD1-CE 3.93Å; I133-M508 HydrophobicContact CG1-CE 4.16Å; I133-M508 HydrophobicContact CG1-SD 4.47Å
134	F	95.7	Very high	92.7	Very high	16 Å²	16	54.1 Å²	54.1	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	169.4	168.9	60.2	-120.3	0	0	0	111.9	I126 S128 L136 V158 N160	I126-F134 HydrophobicContact CD1-CD1 3.95Å; I126-F134 HydrophobicContact CD1-CD2 4.42Å; I126-F134 HydrophobicContact CD1-CE1 4.04Å; I126-F134 HydrophobicContact CD1-CG 4.17Å; I126-F134 HydrophobicContact CD1-CZ 4.36Å; I126-F134 HydrophobicContact CG1-CD1 4.48Å; I126-F134 HydrophobicContact CG1-CD2 4.08Å; I126-F134 HydrophobicContact CG1-CE2 4.3Å; I126-F134 HydrophobicContact CG1-CG 4.22Å; I126-F134 HydrophobicContact CG2-CB 4.01Å; I126-F134 HydrophobicContact CG2-CG 4.34Å; S128-F134 VanDerWaalsContact OG-CA 3.23Å; S128-F134 WeakPolarHBondContact OG-CA 3.24Å; S128-F134 WeakPolarHBondContact OG-CB 3.38Å; F134-L136 HydrophobicContact CD2-CD2 4.02Å; F134-L136 HydrophobicContact CD2-CG 3.99Å; F134-L136 HydrophobicContact CE2-CD1 4.01Å; F134-L136 HydrophobicContact CE2-CD2 3.63Å; F134-L136 HydrophobicContact CE2-CG 3.65Å; F134-V158 HydrophobicContact CD2-CB 3.99Å; F134-V158 HydrophobicContact CD2-CG1 4.31Å; F134-V158 HydrophobicContact CE2-CB 3.85Å; F134-V158 HydrophobicContact CE2-CG1 3.66Å; F134-V158 HydrophobicContact CZ-CG1 4.18Å; F134-V158 PolarHBondContact N-O 2.84Å; F134-V158 WeakPolarHBondContact O-CA 3.38Å; F134-V158 WeakPolarHBondContact O-CB 3.15Å; F134-V158 PolarHBondContact O-N 3.47Å; F134-N160 HydrophobicContact CD1-CB 3.57Å; F134-N160 HydrophobicContact CE1-CB 3.57Å; F134-N160 VanDerWaalsContact CE1-CG 3.41Å
135	D	96.6	Very high	92.7	Very high	32 Å²	32	52 Å²	52	17%	0.171	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.7	173.1	-69.5	-8.5	0	0	0	110.9	I126 C127 S128 T154 H156 N157	I126-D135 WeakPolarHBondContact CA-O 3.28Å; C127-D135 PolarHBondContact N-O 3Å; C127-D135 PolarHBondContact SG-O 3.02Å; S128-D135 PolarHBondContact OG-N 3.41Å; D135-T154 HydrophobicContact CB-CG2 3.62Å; D135-H156 WeakPolarHBondContact OD1-CA 3.34Å; D135-H156 IonicContact OD1-ND1 2.75Å; D135-H156 IonicContact OD2-CE1 2.84Å; D135-H156 IonicContact OD2-CG 2.71Å; D135-H156 IonicContact OD2-ND1 3.84Å; D135-H156 PolarHBondContact OD2-ND1 3.46Å; D135-N157 PolarHBondContact OD1-N 2.85Å
136	L	96	Very high	92.5	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141	177.8	-66.8	172.7	0	0	0	112.2	R124 P125 I126 F134 E138 T154 I155 V158 L475	R124-L136 HydrophobicContact CB-CD2 4.22Å; P125-L136 WeakPolarHBondContact O-CA 3.34Å; P125-L136 WeakPolarHBondContact O-CD2 3.43Å; I126-L136 HydrophobicContact CG1-CD2 3.67Å; F134-L136 HydrophobicContact CD2-CD2 4.02Å; F134-L136 HydrophobicContact CD2-CG 3.99Å; F134-L136 HydrophobicContact CE2-CD1 4.01Å; F134-L136 HydrophobicContact CE2-CD2 3.63Å; F134-L136 HydrophobicContact CE2-CG 3.65Å; L136-E138 PolarHBondContact O-N 3.15Å; L136-T154 CarbonylContact O-C 3.56Å; L136-T154 WeakPolarHBondContact O-CA 3.38Å; L136-I155 HydrophobicContact CB-CB 4.3Å; L136-I155 PolarHBondContact N-O 2.83Å; L136-I155 PolarHBondContact O-N 2.89Å; L136-V158 HydrophobicContact CD1-CG2 4.37Å; L136-L475 HydrophobicContact CD1-CD1 3.72Å
137	M	95.3	Very high	92.3	Very high	53 Å²	53	52.3 Å²	52.3	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	122.7	165.3	-65.7	-62.7	-68.8	0	0	109.8	P125 C127 R139 F150	P125-M137 HydrophobicContact CB-CB 4.27Å; P125-M137 HydrophobicContact CB-CG 4.2Å; P125-M137 PolarHBondContact O-N 2.72Å; C127-M137 HydrophobicContact CB-CG 3.85Å; C127-M137 HydrophobicContact CB-SD 3.65Å; M137-R139 PolarHBondContact O-N 3.08Å; M137-F150 HydrophobicContact CB-CD1 3.97Å; M137-F150 HydrophobicContact CB-CE1 4.14Å; M137-F150 HydrophobicContact CE-CB 4.5Å; M137-F150 HydrophobicContact CE-CG 4.49Å
138	E	94.8	Very high	92.3	Very high	47 Å²	47	52 Å²	52	22%	0.22	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.2	170.5	-178.8	-179	-108.2	0	0	109.4	L136 F150 T151 R153 I155	L136-E138 PolarHBondContact O-N 3.15Å; E138-F150 WeakPolarHBondContact O-CA 3.2Å; E138-T151 WeakPolarHBondContact CB-OG1 3.28Å; E138-T151 HydrophobicContact CG-CG2 3.97Å; E138-T151 WeakPolarHBondContact CG-OG1 3.49Å; E138-T151 PolarHBondContact O-N 3.14Å; E138-T151 PolarHBondContact O-OG1 3.47Å; E138-T151 VanDerWaalsContact OE2-CB 3.31Å; E138-T151 WeakPolarHBondContact OE2-CB 3.48Å; E138-T151 WeakPolarHBondContact OE2-CG2 3.38Å; E138-T151 PolarHBondContact OE2-OG1 3.01Å; E138-R153 HydrophobicContact CB-CB 4.15Å; E138-R153 WeakPolarHBondContact CB-O 3.4Å; E138-R153 PolarHBondContact N-O 3.49Å; E138-R153 IonicContact OE1-NH1 3.65Å; E138-R153 WeakPolarHBondContact OE2-CD 3.48Å; E138-R153 IonicContact OE2-CZ 3.18Å; E138-R153 IonicContact OE2-NE 3.39Å; E138-R153 IonicContact OE2-NH1 2.62Å; E138-R153 PolarHBondContact OE2-NH1 2.94Å; E138-I155 HydrophobicContact CB-CG1 4.2Å
139	R	94.5	Very high	92.4	Very high	25 Å²	25	56 Å²	56	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.7	173.6	75.2	-178.5	-174.8	-167.8	-7.7	110	R119 D120 W122 N123 M137 F148 R149 F150	R119-R139 PolarHBondContact O-NH2 2.84Å; D120-R139 PolarHBondContact O-NH2 3.23Å; W122-R139 PolarHBondContact O-NH1 2.96Å; W122-R139 PolarHBondContact O-NH2 2.8Å; N123-R139 PolarHBondContact O-NH1 2.85Å; M137-R139 PolarHBondContact O-N 3.08Å; R139-F148 HydrophobicContact CB-CB 4.39Å; R139-F148 HydrophobicContact CG-CB 4.42Å; R139-F148 HydrophobicContact CG-CD1 4.1Å; R139-F148 HydrophobicContact CG-CG 4.29Å; R139-R149 CarbonylContact C-O 3.59Å; R139-R149 VanDerWaalsContact CA-O 3.24Å; R139-R149 WeakPolarHBondContact CA-O 3.45Å; R139-F150 HydrophobicContact CB-CD1 3.95Å; R139-F150 HydrophobicContact CB-CE1 4.18Å
140	V	93.7	Very high	92.7	Very high	48 Å²	48	57.6 Å²	57.6	29%	0.291	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.5	173.8	-64.3	0	0	0	0	110	F148 R149 T151	V140-F148 WeakPolarHBondContact O-CA 2.98Å; V140-R149 HydrophobicContact CG2-CG 3.77Å; V140-R149 VanDerWaalsContact CG2-CZ 3.5Å; V140-R149 PolarHBondContact N-O 2.94Å; V140-R149 PolarHBondContact O-N 3.34Å; V140-T151 HydrophobicContact CB-CG2 4.39Å; V140-T151 HydrophobicContact CG1-CG2 3.77Å; V140-T151 HydrophobicContact CG2-CG2 3.84Å
141	S	92.6	Very high	93.1	Very high	32 Å²	32	57.3 Å²	57.3	22%	0.224	28%	0.277	C	S	.	.			trans	-129.6	131.7	170	158.2	0	0	0	0	107.8	D143 Y144 N145 T147	S141-D143 VanDerWaalsContact C-N 3.33Å; S141-D143 PolarHBondContact OG-N 3.17Å; S141-D143 VanDerWaalsContact OG-N 3.12Å; S141-D143 PolarHBondContact OG-OD1 3.04Å; S141-Y144 PolarHBondContact OG-N 2.77Å; S141-N145 WeakPolarHBondContact OG-CA 3.33Å; S141-N145 PolarHBondContact OG-N 3.47Å; S141-T147 WeakPolarHBondContact CB-O 3.47Å
142	D	90.5	Very high	93.2	Very high	118 Å²	118	60.2 Å²	60.2	63%	0.631	31%	0.307	S	S	*	.	S	Bend	trans	-98	7.2	174.3	-43.6	-82.3	0	0	0	110.9	R149	D142-R149 IonicContact OD1-CZ 2.81Å; D142-R149 IonicContact OD1-NE 2.67Å; D142-R149 IonicContact OD1-NH2 2.95Å; D142-R149 PolarHBondContact OD1-NH2 2.79Å; D142-R149 IonicContact OD2-CZ 2.68Å; D142-R149 IonicContact OD2-NE 3.18Å; D142-R149 PolarHBondContact OD2-NE 2.72Å; D142-R149 IonicContact OD2-NH2 3.44Å; D142-R149 PolarHBondContact OD2-NH2 3.41Å
143	D	88.8	Confident	93.2	Very high	35 Å²	35	66.9 Å²	66.9	19%	0.187	33%	0.33	C	S	.	.	S	Bend	trans	-138.2	39.7	-166.8	67.7	-6.8	0	0	0	112.8	S141 N145 W146 T147	S141-D143 VanDerWaalsContact C-N 3.33Å; S141-D143 PolarHBondContact OG-N 3.17Å; S141-D143 VanDerWaalsContact OG-N 3.12Å; S141-D143 PolarHBondContact OG-OD1 3.04Å; D143-N145 VanDerWaalsContact C-N 3.25Å; D143-N145 PolarHBondContact O-N 3.33Å; D143-W146 HydrophobicContact CB-CB 4.33Å; D143-W146 WeakPolarHBondContact O-CB 3.29Å; D143-W146 PolarHBondContact O-N 3.19Å; D143-W146 PolarHBondContact OD1-N 3.34Å; D143-W146 VanDerWaalsContact OD1-N 3.17Å; D143-W146 WeakPolarHBondContact OD2-CB 3.21Å; D143-T147 VanDerWaalsContact CG-N 3.28Å; D143-T147 VanDerWaalsContact CG-OG1 3.29Å; D143-T147 PolarHBondContact OD1-N 2.73Å; D143-T147 PolarHBondContact OD1-OG1 3.33Å; D143-T147 VanDerWaalsContact OD2-CB 3.31Å; D143-T147 WeakPolarHBondContact OD2-CB 3.46Å; D143-T147 WeakPolarHBondContact OD2-CG2 3.13Å; D143-T147 PolarHBondContact OD2-N 3.19Å; D143-T147 PolarHBondContact OD2-OG1 3.21Å
144	Y	86.5	Confident	93.3	Very high	197 Å²	197	66.2 Å²	66.2	77%	0.773	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	38.7	176.8	-57.5	-78.5	0	0	0	114.6	S141	S141-Y144 PolarHBondContact OG-N 2.77Å
145	N	91.1	Very high	93.4	Very high	21 Å²	21	67.2 Å²	67.2	11%	0.112	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	18.7	-174.1	-53.3	-37.5	0	0	0	116.1	M116 R117 R119 D120 S141 D143 F148	M116-N145 WeakPolarHBondContact CE-O 3.18Å; M116-N145 VanDerWaalsContact O-CB 3.29Å; M116-N145 WeakPolarHBondContact O-CB 3.43Å; M116-N145 PolarHBondContact O-ND2 3.38Å; R117-N145 PolarHBondContact O-ND2 2.98Å; R119-N145 HydrophobicContact CB-CB 4.19Å; R119-N145 PolarHBondContact NE-O 3.32Å; R119-N145 PolarHBondContact NH2-O 2.88Å; D120-N145 PolarHBondContact OD1-ND2 3.13Å; S141-N145 WeakPolarHBondContact OG-CA 3.33Å; S141-N145 PolarHBondContact OG-N 3.47Å; D143-N145 VanDerWaalsContact C-N 3.25Å; D143-N145 PolarHBondContact O-N 3.33Å; N145-F148 HydrophobicContact CB-CE1 4.12Å; N145-F148 HydrophobicContact CB-CZ 3.78Å; N145-F148 WeakPolarHBondContact OD1-CE1 3.45Å
146	W	87.9	Confident	93.4	Very high	50 Å²	50	70.1 Å²	70.1	19%	0.189	35%	0.347	C	S	.	.	S	Bend	trans	-64.5	-42.6	173.6	-80.4	106.1	0	0	0	112.3	H88 V89 M116 R119 D143	H88-W146 HydrophobicContact CB-CD2 3.54Å; H88-W146 HydrophobicContact CB-CE3 4.03Å; H88-W146 HydrophobicContact CB-CG 3.72Å; H88-W146 HydrophobicContact CB-CZ2 4.34Å; H88-W146 AromaticContact CD2-CD1 3.97Å; H88-W146 AromaticContact CD2-NE1 3.92Å; H88-W146 AromaticContact CG-CD1 3.8Å; H88-W146 AromaticContact CG-NE1 3.96Å; V89-W146 HydrophobicContact CG2-CH2 3.29Å; V89-W146 HydrophobicContact CG2-CZ2 4.19Å; V89-W146 HydrophobicContact CG2-CZ3 3.69Å; M116-W146 HydrophobicContact CB-CH2 4.29Å; M116-W146 HydrophobicContact CB-CZ2 4.22Å; M116-W146 HydrophobicContact CE-CB 4.5Å; M116-W146 HydrophobicContact CE-CD2 3.81Å; M116-W146 HydrophobicContact CE-CE3 3.54Å; M116-W146 HydrophobicContact CE-CG 4.3Å; M116-W146 HydrophobicContact CE-CH2 4.4Å; M116-W146 HydrophobicContact CE-CZ3 3.86Å; M116-W146 HydrophobicContact CG-CH2 3.73Å; M116-W146 HydrophobicContact CG-CZ2 4.18Å; M116-W146 HydrophobicContact CG-CZ3 3.94Å; M116-W146 HydrophobicContact SD-CZ3 4.26Å; R119-W146 PolarHBondContact NH1-O 3.23Å; R119-W146 PolarHBondContact NH2-O 3.3Å; D143-W146 HydrophobicContact CB-CB 4.33Å; D143-W146 WeakPolarHBondContact O-CB 3.29Å; D143-W146 PolarHBondContact O-N 3.19Å; D143-W146 PolarHBondContact OD1-N 3.34Å; D143-W146 VanDerWaalsContact OD1-N 3.17Å; D143-W146 WeakPolarHBondContact OD2-CB 3.21Å
147	T	90.6	Very high	93.4	Very high	85 Å²	85	74.4 Å²	74.4	52%	0.521	37%	0.369	S	S	.	.	S	Bend	trans	-118.8	-177.4	168.8	64.6	0	0	0	0	110.4	R119 S141 D143	R119-T147 PolarHBondContact NH2-O 2.88Å; S141-T147 WeakPolarHBondContact CB-O 3.47Å; D143-T147 VanDerWaalsContact CG-N 3.28Å; D143-T147 VanDerWaalsContact CG-OG1 3.29Å; D143-T147 PolarHBondContact OD1-N 2.73Å; D143-T147 PolarHBondContact OD1-OG1 3.33Å; D143-T147 VanDerWaalsContact OD2-CB 3.31Å; D143-T147 WeakPolarHBondContact OD2-CB 3.46Å; D143-T147 WeakPolarHBondContact OD2-CG2 3.13Å; D143-T147 PolarHBondContact OD2-N 3.19Å; D143-T147 PolarHBondContact OD2-OG1 3.21Å
148	F	94.1	Very high	93.5	Very high	53 Å²	53	71.9 Å²	71.9	23%	0.232	36%	0.357	C	S	.	.			trans	-147.2	137.3	166.1	-71.6	-63.3	0	0	0	108.6	R119 D120 R139 V140 N145	R119-F148 HydrophobicContact CG-CE2 4.22Å; D120-F148 HydrophobicContact CB-CE1 4.22Å; D120-F148 HydrophobicContact CB-CZ 4.08Å; R139-F148 HydrophobicContact CB-CB 4.39Å; R139-F148 HydrophobicContact CG-CB 4.42Å; R139-F148 HydrophobicContact CG-CD1 4.1Å; R139-F148 HydrophobicContact CG-CG 4.29Å; V140-F148 WeakPolarHBondContact O-CA 2.98Å; N145-F148 HydrophobicContact CB-CE1 4.12Å; N145-F148 HydrophobicContact CB-CZ 3.78Å; N145-F148 WeakPolarHBondContact OD1-CE1 3.45Å
149	R	95	Very high	93.6	Very high	130 Å²	130	70 Å²	70	49%	0.491	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.2	167.2	61.4	180	171.1	95.2	4	110.3	R139 V140 D142	R139-R149 CarbonylContact C-O 3.59Å; R139-R149 VanDerWaalsContact CA-O 3.24Å; R139-R149 WeakPolarHBondContact CA-O 3.45Å; V140-R149 HydrophobicContact CG2-CG 3.77Å; V140-R149 VanDerWaalsContact CG2-CZ 3.5Å; V140-R149 PolarHBondContact N-O 2.94Å; V140-R149 PolarHBondContact O-N 3.34Å; D142-R149 IonicContact OD1-CZ 2.81Å; D142-R149 IonicContact OD1-NE 2.67Å; D142-R149 IonicContact OD1-NH2 2.95Å; D142-R149 PolarHBondContact OD1-NH2 2.79Å; D142-R149 IonicContact OD2-CZ 2.68Å; D142-R149 IonicContact OD2-NE 3.18Å; D142-R149 PolarHBondContact OD2-NE 2.72Å; D142-R149 IonicContact OD2-NH2 3.44Å; D142-R149 PolarHBondContact OD2-NH2 3.41Å
150	F	95	Very high	93.8	Very high	118 Å²	118	69.3 Å²	69.3	52%	0.518	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144	169.9	-58.5	-62.1	0	0	0	109.8	P125 M137 E138 R139	P125-F150 HydrophobicContact CG-CE1 3.79Å; P125-F150 HydrophobicContact CG-CZ 3.92Å; M137-F150 HydrophobicContact CB-CD1 3.97Å; M137-F150 HydrophobicContact CB-CE1 4.14Å; M137-F150 HydrophobicContact CE-CB 4.5Å; M137-F150 HydrophobicContact CE-CG 4.49Å; E138-F150 WeakPolarHBondContact O-CA 3.2Å; R139-F150 HydrophobicContact CB-CD1 3.95Å; R139-F150 HydrophobicContact CB-CE1 4.18Å
151	T	94.6	Very high	93.9	Very high	43 Å²	43	67 Å²	67	26%	0.264	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-3.8	178.1	62.8	0	0	0	0	113.1	E138 V140 R153	E138-T151 WeakPolarHBondContact CB-OG1 3.28Å; E138-T151 HydrophobicContact CG-CG2 3.97Å; E138-T151 WeakPolarHBondContact CG-OG1 3.49Å; E138-T151 PolarHBondContact O-N 3.14Å; E138-T151 PolarHBondContact O-OG1 3.47Å; E138-T151 VanDerWaalsContact OE2-CB 3.31Å; E138-T151 WeakPolarHBondContact OE2-CB 3.48Å; E138-T151 WeakPolarHBondContact OE2-CG2 3.38Å; E138-T151 PolarHBondContact OE2-OG1 3.01Å; V140-T151 HydrophobicContact CB-CG2 4.39Å; V140-T151 HydrophobicContact CG1-CG2 3.77Å; V140-T151 HydrophobicContact CG2-CG2 3.84Å; T151-R153 PolarHBondContact O-N 2.88Å; T151-R153 WeakPolarHBondContact OG1-CB 3.44Å; T151-R153 PolarHBondContact OG1-N 2.69Å
152	G	93.5	Very high	94	Very high	67 Å²	67	66 Å²	66	69%	0.691	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	74.7	-0.5	-168.8	0	0	0	0	0	114.1
153	R	95.9	Very high	94.2	Very high	165 Å²	165	62.3 Å²	62.3	62%	0.623	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	158.2	177.6	-48.8	-170.4	-162.4	130.6	-11.3	112.1	E138 T151	E138-R153 HydrophobicContact CB-CB 4.15Å; E138-R153 WeakPolarHBondContact CB-O 3.4Å; E138-R153 PolarHBondContact N-O 3.49Å; E138-R153 IonicContact OE1-NH1 3.65Å; E138-R153 WeakPolarHBondContact OE2-CD 3.48Å; E138-R153 IonicContact OE2-CZ 3.18Å; E138-R153 IonicContact OE2-NE 3.39Å; E138-R153 IonicContact OE2-NH1 2.62Å; E138-R153 PolarHBondContact OE2-NH1 2.94Å; T151-R153 PolarHBondContact O-N 2.88Å; T151-R153 WeakPolarHBondContact OG1-CB 3.44Å; T151-R153 PolarHBondContact OG1-N 2.69Å
154	T	97.1	Very high	94.6	Very high	47 Å²	47	63.2 Å²	63.2	29%	0.288	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.7	180	-60.1	0	0	0	0	110.7	D135 L136 H156	D135-T154 HydrophobicContact CB-CG2 3.62Å; L136-T154 CarbonylContact O-C 3.56Å; L136-T154 WeakPolarHBondContact O-CA 3.38Å; T154-H156 VanDerWaalsContact CG2-CE1 3.44Å; T154-H156 WeakPolarHBondContact CG2-CE1 3.44Å; T154-H156 PolarHBondContact O-CD2 3.22Å; T154-H156 PolarHBondContact O-N 3.23Å; T154-H156 VanDerWaalsContact O-N 3.15Å
155	I	96.5	Very high	95	Very high	36 Å²	36	54.1 Å²	54.1	19%	0.185	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	89.2	170.8	-51.7	177.6	0	0	0	107	L136 E138 V158	L136-I155 HydrophobicContact CB-CB 4.3Å; L136-I155 PolarHBondContact N-O 2.83Å; L136-I155 PolarHBondContact O-N 2.89Å; E138-I155 HydrophobicContact CB-CG1 4.2Å; I155-V158 HydrophobicContact CG2-CG2 3.83Å
156	H	96.9	Very high	95.3	Very high	94 Å²	94	53.1 Å²	53.1	44%	0.435	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	148	-175.8	-66.3	-75.8	0	0	0	113.8	D135 T154 K478	D135-H156 WeakPolarHBondContact OD1-CA 3.34Å; D135-H156 IonicContact OD1-ND1 2.75Å; D135-H156 IonicContact OD2-CE1 2.84Å; D135-H156 IonicContact OD2-CG 2.71Å; D135-H156 IonicContact OD2-ND1 3.84Å; D135-H156 PolarHBondContact OD2-ND1 3.46Å; T154-H156 VanDerWaalsContact CG2-CE1 3.44Å; T154-H156 WeakPolarHBondContact CG2-CE1 3.44Å; T154-H156 PolarHBondContact O-CD2 3.22Å; T154-H156 PolarHBondContact O-N 3.23Å; T154-H156 VanDerWaalsContact O-N 3.15Å; H156-K478 WeakPolarHBondContact O-CD 3.43Å; H156-K478 WeakPolarHBondContact O-CE 3.14Å; H156-K478 PolarHBondContact O-NZ 3.02Å
157	N	95.8	Very high	95.8	Very high	99 Å²	99	50.8 Å²	50.8	53%	0.529	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.7	56.2	171.8	-64.4	-60.1	0	0	0	114.5	I133 D135	I133-N157 HydrophobicContact CG2-CB 4.19Å; D135-N157 PolarHBondContact OD1-N 2.85Å
158	V	97.9	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.1	173.7	-179.4	0	0	0	0	110.2	I133 F134 L136 I155 N160 K478 G480	I133-V158 CarbonylContact C-O 3.6Å; I133-V158 WeakPolarHBondContact CA-O 3.22Å; F134-V158 HydrophobicContact CD2-CB 3.99Å; F134-V158 HydrophobicContact CD2-CG1 4.31Å; F134-V158 HydrophobicContact CE2-CB 3.85Å; F134-V158 HydrophobicContact CE2-CG1 3.66Å; F134-V158 HydrophobicContact CZ-CG1 4.18Å; F134-V158 PolarHBondContact N-O 2.84Å; F134-V158 WeakPolarHBondContact O-CA 3.38Å; F134-V158 WeakPolarHBondContact O-CB 3.15Å; F134-V158 PolarHBondContact O-N 3.47Å; L136-V158 HydrophobicContact CD1-CG2 4.37Å; I155-V158 HydrophobicContact CG2-CG2 3.83Å; V158-N160 PolarHBondContact O-N 2.83Å; V158-K478 CarbonylContact C-O 3.58Å; V158-K478 WeakPolarHBondContact CA-O 3.28Å; V158-K478 HydrophobicContact CG2-CB 4.43Å; V158-G480 VanDerWaalsContact CG1-N 3.31Å
159	I	98.1	Very high	96	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.9	178	-57.2	175.9	0	0	0	109.4	M161 K478 G480 K511 V512	I159-M161 HydrophobicContact CG2-CG 4.19Å; I159-M161 HydrophobicContact CG2-SD 3.94Å; I159-M161 PolarHBondContact O-N 3.3Å; I159-K478 PolarHBondContact N-O 3.11Å; I159-G480 PolarHBondContact O-N 3.33Å; I159-K511 HydrophobicContact CD1-CD 4.01Å; I159-K511 HydrophobicContact CD1-CG 4.44Å; I159-V512 HydrophobicContact CB-CG2 4.47Å; I159-V512 HydrophobicContact CD1-CG2 4.12Å; I159-V512 HydrophobicContact CG2-CG2 3.99Å
160	N	97.1	Very high	95.8	Very high	11 Å²	11	40 Å²	40	6%	0.059	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	100.4	-176.1	-176.4	-1.5	0	0	0	111.2	P130 G131 P132 F134 V158 G162 S163 H504	P130-N160 PolarHBondContact O-ND2 2.84Å; G131-N160 WeakPolarHBondContact O-CB 3.31Å; G131-N160 PolarHBondContact O-ND2 3.25Å; P132-N160 WeakPolarHBondContact O-CB 3.07Å; P132-N160 PolarHBondContact O-N 2.97Å; F134-N160 HydrophobicContact CD1-CB 3.57Å; F134-N160 HydrophobicContact CE1-CB 3.57Å; F134-N160 VanDerWaalsContact CE1-CG 3.41Å; V158-N160 PolarHBondContact O-N 2.83Å; N160-G162 PolarHBondContact OD1-N 3.2Å; N160-S163 VanDerWaalsContact ND2-CB 3.28Å; N160-S163 WeakPolarHBondContact ND2-CB 3.4Å; N160-S163 VanDerWaalsContact OD1-CB 3.26Å; N160-S163 WeakPolarHBondContact OD1-CB 3.24Å; N160-S163 PolarHBondContact OD1-N 2.79Å; N160-S163 VanDerWaalsContact OD1-N 3.12Å; N160-H504 PolarHBondContact O-CE1 2.94Å; N160-H504 PolarHBondContact O-NE2 3.36Å
161	M	97.5	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.			trans	-108.6	11	176.6	-60.4	-56.4	-62.9	0	0	113	I159 F437 I479 G480 F498 C499 L500 L509 V512	I159-M161 HydrophobicContact CG2-CG 4.19Å; I159-M161 HydrophobicContact CG2-SD 3.94Å; I159-M161 PolarHBondContact O-N 3.3Å; M161-F437 HydrophobicContact CE-CE1 4.38Å; M161-F437 HydrophobicContact CE-CE2 4.03Å; M161-F437 HydrophobicContact CE-CZ 3.91Å; M161-I479 HydrophobicContact CB-CG2 4.36Å; M161-I479 HydrophobicContact CG-CG2 3.67Å; M161-G480 CarbonylContact C-O 3.34Å; M161-G480 WeakPolarHBondContact CA-O 3.43Å; M161-G480 PolarHBondContact N-O 3.22Å; M161-F498 HydrophobicContact CB-CD1 3.76Å; M161-F498 HydrophobicContact CB-CE1 4.11Å; M161-F498 HydrophobicContact CE-CD1 3.95Å; M161-F498 HydrophobicContact CG-CD1 4.27Å; M161-F498 HydrophobicContact CG-CE1 4.41Å; M161-F498 CarbonylContact O-C 3.57Å; M161-F498 WeakPolarHBondContact O-CA 3.21Å; M161-C499 PolarHBondContact O-N 3.5Å; M161-L500 HydrophobicContact CE-CD1 3.84Å; M161-L509 HydrophobicContact CE-CD2 4.03Å; M161-V512 HydrophobicContact CE-CG1 4.28Å; M161-V512 HydrophobicContact CG-CG1 4.21Å; M161-V512 HydrophobicContact CG-CG2 4.03Å; M161-V512 HydrophobicContact SD-CG1 4.46Å; M161-V512 HydrophobicContact SD-CG2 4.01Å
162	G	94.5	Very high	94.5	Very high	12 Å²	12	39.9 Å²	39.9	12%	0.124	22%	0.218	C	C	.	.	S	Bend	trans	-121.2	-11.2	-171.8	0	0	0	0	0	115.9	N160 G480	N160-G162 PolarHBondContact OD1-N 3.2Å; G162-G480 PolarHBondContact N-O 2.97Å
163	S	94.8	Very high	93.9	Very high	39 Å²	39	40 Å²	40	27%	0.273	20%	0.203	S	C	.	.			trans	-82.4	146.7	-177.9	-176.8	0	0	0	0	112.8	N160 N165 C499	N160-S163 VanDerWaalsContact ND2-CB 3.28Å; N160-S163 WeakPolarHBondContact ND2-CB 3.4Å; N160-S163 VanDerWaalsContact OD1-CB 3.26Å; N160-S163 WeakPolarHBondContact OD1-CB 3.24Å; N160-S163 PolarHBondContact OD1-N 2.79Å; N160-S163 VanDerWaalsContact OD1-N 3.12Å; S163-N165 PolarHBondContact O-N 2.99Å; S163-N165 WeakPolarHBondContact OG-CB 3.49Å; S163-N165 PolarHBondContact OG-N 2.83Å; S163-C499 WeakPolarHBondContact O-CB 3.44Å
164	Y	95.9	Very high	93.3	Very high	54 Å²	54	39.3 Å²	39.3	21%	0.212	21%	0.207	C	C	.	.			trans	-84.9	20	171.9	-54.3	-44.3	0	0	0	113.4	Y166 H335 K367 R497 C499	Y164-Y166 WeakPolarHBondContact CD1-OH 3.41Å; Y164-Y166 WeakPolarHBondContact O-CD2 3.43Å; Y164-Y166 PolarHBondContact O-N 2.73Å; Y164-H335 AromaticContact CD1-CE1 3.8Å; Y164-H335 AromaticContact CE1-CE1 3.56Å; Y164-H335 AromaticContact CE2-CE1 3.84Å; Y164-H335 AromaticContact CZ-CE1 3.56Å; Y164-K367 HydrophobicContact CD2-CD 3.67Å; Y164-K367 HydrophobicContact CD2-CG 4Å; Y164-K367 HydrophobicContact CE2-CD 4.4Å; Y164-K367 HydrophobicContact CG-CD 3.82Å; Y164-K367 HydrophobicContact CG-CG 4.15Å; Y164-K367 CarbonylContact O-C 3.57Å; Y164-K367 WeakPolarHBondContact O-CA 3.28Å; Y164-K367 WeakPolarHBondContact O-CB 3.38Å; Y164-R497 PolarHBondContact OH-NH1 2.95Å; Y164-R497 PolarHBondContact OH-NH2 2.74Å; Y164-C499 HydrophobicContact CD1-CB 4.39Å; Y164-C499 VanDerWaalsContact CD1-SG 3.57Å; Y164-C499 VanDerWaalsContact CE1-SG 3.56Å
165	N	95.9	Very high	92.5	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	22%	0.217	C	C	.	.			trans	-72.7	60.2	175.7	-178.3	26.1	0	0	0	111.1	S163 L167 G168 F169 A170 E171 S501	S163-N165 PolarHBondContact O-N 2.99Å; S163-N165 WeakPolarHBondContact OG-CB 3.49Å; S163-N165 PolarHBondContact OG-N 2.83Å; N165-L167 VanDerWaalsContact C-N 3.34Å; N165-L167 PolarHBondContact O-N 3.34Å; N165-G168 PolarHBondContact O-N 3Å; N165-G168 VanDerWaalsContact O-N 3.16Å; N165-G168 VanDerWaalsContact OD1-C 3.25Å; N165-G168 WeakPolarHBondContact OD1-CA 3.47Å; N165-G168 PolarHBondContact OD1-N 3.09Å; N165-F169 PolarHBondContact OD1-N 3.28Å; N165-A170 HydrophobicContact CB-CB 4.25Å; N165-A170 PolarHBondContact OD1-N 2.99Å; N165-A170 VanDerWaalsContact OD1-N 3.09Å; N165-E171 PolarHBondContact ND2-OE1 3.43Å; N165-S501 WeakPolarHBondContact O-CB 3.26Å; N165-S501 PolarHBondContact O-OG 2.78Å
166	Y	97.6	Very high	91.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-39.2	-167.5	-65.5	-62	0	0	0	113.7	Y164 H335 A339 K367 S368 P455 V456 L500 S501 A502	Y164-Y166 WeakPolarHBondContact CD1-OH 3.41Å; Y164-Y166 WeakPolarHBondContact O-CD2 3.43Å; Y164-Y166 PolarHBondContact O-N 2.73Å; Y166-H335 AromaticContact CE2-ND1 3.86Å; Y166-H335 AromaticContact CZ-ND1 3.79Å; Y166-H335 PolarHBondContact OH-ND1 3.49Å; Y166-A339 HydrophobicContact CD2-CB 4.27Å; Y166-A339 HydrophobicContact CG-CB 4.28Å; Y166-K367 HydrophobicContact CD2-CB 4.11Å; Y166-K367 HydrophobicContact CE2-CB 4.08Å; Y166-K367 HydrophobicContact CE2-CD 4.24Å; Y166-S368 WeakPolarHBondContact CD2-OG 3.39Å; Y166-P455 HydrophobicContact CD1-CB 3.78Å; Y166-P455 HydrophobicContact CD1-CG 3.64Å; Y166-P455 HydrophobicContact CE1-CB 3.81Å; Y166-P455 HydrophobicContact CE1-CG 3.57Å; Y166-P455 HydrophobicContact CG-CG 4.43Å; Y166-V456 HydrophobicContact CE1-CG2 4.48Å; Y166-V456 WeakPolarHBondContact OH-CG2 3.31Å; Y166-L500 WeakPolarHBondContact CD1-O 3.35Å; Y166-S501 CarbonylContact O-C 3.57Å; Y166-S501 WeakPolarHBondContact O-CA 3.47Å; Y166-A502 PolarHBondContact O-N 3.01Å
167	L	96.9	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	4.6	178.3	-65.3	178.2	0	0	0	114.1	N165 F169 G338 I414 R426 I427 L430	N165-L167 VanDerWaalsContact C-N 3.34Å; N165-L167 PolarHBondContact O-N 3.34Å; L167-F169 HydrophobicContact CB-CD2 3.65Å; L167-F169 HydrophobicContact CB-CE2 3.73Å; L167-F169 HydrophobicContact CD1-CD2 4.39Å; L167-F169 HydrophobicContact CD1-CE2 3.98Å; L167-G338 VanDerWaalsContact CD1-O 3.24Å; L167-G338 WeakPolarHBondContact CD1-O 3.47Å; L167-G338 VanDerWaalsContact CD2-O 3.29Å; L167-G338 WeakPolarHBondContact CD2-O 3.2Å; L167-G338 WeakPolarHBondContact CG-O 3.38Å; L167-I414 HydrophobicContact CD1-CD1 3.6Å; L167-I414 HydrophobicContact CD1-CG1 3.78Å; L167-R426 HydrophobicContact CD2-CB 3.93Å; L167-R426 VanDerWaalsContact O-CD 3.3Å; L167-R426 WeakPolarHBondContact O-CD 3.44Å; L167-R426 PolarHBondContact O-NH1 3.26Å; L167-I427 HydrophobicContact CD1-CG1 4.4Å; L167-I427 HydrophobicContact CD2-CG1 3.82Å; L167-L430 HydrophobicContact CD2-CD2 4.18Å
168	G	95.1	Very high	91.2	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	75.5	20.5	176.2	0	0	0	0	0	115.6	N165 E171 R426 S503	N165-G168 PolarHBondContact O-N 3Å; N165-G168 VanDerWaalsContact O-N 3.16Å; N165-G168 VanDerWaalsContact OD1-C 3.25Å; N165-G168 WeakPolarHBondContact OD1-CA 3.47Å; N165-G168 PolarHBondContact OD1-N 3.09Å; G168-E171 VanDerWaalsContact CA-OE1 3.22Å; G168-E171 WeakPolarHBondContact CA-OE1 3.45Å; G168-R426 VanDerWaalsContact C-NH1 3.31Å; G168-R426 PolarHBondContact O-NH1 3.36Å; G168-S503 WeakPolarHBondContact CA-OG 3.26Å
169	F	93.9	Very high	90.8	Very high	17 Å²	17	42.7 Å²	42.7	8%	0.075	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.3	-178.8	-72.2	-61	0	0	0	114.3	N165 L167 E171 F176 S368 A410 C413 I414	N165-F169 PolarHBondContact OD1-N 3.28Å; L167-F169 HydrophobicContact CB-CD2 3.65Å; L167-F169 HydrophobicContact CB-CE2 3.73Å; L167-F169 HydrophobicContact CD1-CD2 4.39Å; L167-F169 HydrophobicContact CD1-CE2 3.98Å; F169-E171 PolarHBondContact O-N 2.59Å; F169-F176 HydrophobicContact CD1-CE2 4.04Å; F169-F176 AromaticContact CE1-CE2 3.96Å; F169-F176 HydrophobicContact CE1-CE2 3.96Å; F169-F176 HydrophobicContact CE1-CZ 4.26Å; F169-S368 WeakPolarHBondContact CD2-O 3.36Å; F169-A410 HydrophobicContact CB-CB 4.17Å; F169-A410 HydrophobicContact CD1-CB 4.1Å; F169-A410 HydrophobicContact CD2-CB 3.92Å; F169-A410 HydrophobicContact CE1-CB 4.49Å; F169-A410 HydrophobicContact CE2-CB 4.33Å; F169-A410 HydrophobicContact CG-CB 3.81Å; F169-C413 HydrophobicContact CE1-CB 4.14Å; F169-C413 HydrophobicContact CZ-CB 3.99Å; F169-I414 HydrophobicContact CE2-CD1 3.91Å; F169-I414 HydrophobicContact CE2-CG1 3.74Å; F169-I414 HydrophobicContact CZ-CG1 4.24Å
170	A	90.5	Very high	90.6	Very high	23 Å²	23	43.7 Å²	43.7	19%	0.19	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8	170.4	0	0	0	0	0	113.6	P130 N165	P130-A170 HydrophobicContact CG-CB 4.21Å; N165-A170 HydrophobicContact CB-CB 4.25Å; N165-A170 PolarHBondContact OD1-N 2.99Å; N165-A170 VanDerWaalsContact OD1-N 3.09Å
171	E	85.1	Confident	90.5	Very high	57 Å²	57	44.9 Å²	44.9	27%	0.266	24%	0.239	S	C	.	.	S	Bend	trans	-97.1	149.5	178.2	-71.5	151.7	-117.3	0	0	111	G131 P132 N165 G168 F169 N173 S503	G131-E171 VanDerWaalsContact CA-CG 3.49Å; P132-E171 WeakPolarHBondContact CD-OE2 3.25Å; N165-E171 PolarHBondContact ND2-OE1 3.43Å; G168-E171 VanDerWaalsContact CA-OE1 3.22Å; G168-E171 WeakPolarHBondContact CA-OE1 3.45Å; F169-E171 PolarHBondContact O-N 2.59Å; E171-N173 PolarHBondContact O-N 3.35Å; E171-S503 WeakPolarHBondContact OE1-CB 3.34Å; E171-S503 PolarHBondContact OE1-OG 3.02Å; E171-S503 PolarHBondContact OE2-OG 2.64Å
172	N	78.1	Confident	90.4	Very high	100 Å²	100	49.9 Å²	49.9	54%	0.535	26%	0.262	S	S	.	.			trans	-71.5	122.4	176.6	-79.9	8.1	0	0	0	110.8	L129 L177	L129-N172 HydrophobicContact CD1-CB 3.67Å; L129-N172 VanDerWaalsContact CD1-CG 3.48Å; L129-N172 WeakPolarHBondContact CD2-OD1 3.46Å; N172-L177 HydrophobicContact CB-CD1 4.13Å
173	N	81.4	Confident	90.4	Very high	71 Å²	71	51.5 Å²	51.5	38%	0.38	27%	0.266	S	S	.	.			trans	-118.7	124.1	161.1	173.4	-53.6	0	0	0	107.2	E171 D175 F176 L177	E171-N173 PolarHBondContact O-N 3.35Å; N173-D175 VanDerWaalsContact C-N 3.31Å; N173-D175 PolarHBondContact O-N 3.41Å; N173-D175 WeakPolarHBondContact OD1-CB 3.46Å; N173-D175 PolarHBondContact OD1-N 3.38Å; N173-F176 HydrophobicContact CB-CB 4.13Å; N173-F176 HydrophobicContact CB-CD1 4.03Å; N173-F176 HydrophobicContact CB-CG 4.14Å; N173-F176 PolarHBondContact O-N 2.79Å; N173-F176 VanDerWaalsContact O-N 3.15Å; N173-F176 WeakPolarHBondContact OD1-CD1 3.25Å; N173-F176 PolarHBondContact OD1-N 2.78Å; N173-F176 VanDerWaalsContact OD1-N 3.15Å; N173-L177 WeakPolarHBondContact O-CG 3.17Å; N173-L177 PolarHBondContact O-N 2.83Å
174	E	82.4	Confident	90.4	Very high	149 Å²	149	52.3 Å²	52.3	70%	0.696	27%	0.269	S	S	*	.	H	α-helix	trans	-61.4	-37.3	-173.7	-64.2	-168.7	171.5	0	0	113	F176 L177 K178	E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 3.48Å; E174-L177 PolarHBondContact O-N 2.92Å; E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.87Å
175	D	81.7	Confident	90.5	Very high	95 Å²	95	59.2 Å²	59.2	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-30.2	178.3	-65.1	-44.5	0	0	0	112.5	N173 K178	N173-D175 VanDerWaalsContact C-N 3.31Å; N173-D175 PolarHBondContact O-N 3.41Å; N173-D175 WeakPolarHBondContact OD1-CB 3.46Å; N173-D175 PolarHBondContact OD1-N 3.38Å; D175-K178 IonicContact OD1-NZ 2.68Å; D175-K178 PolarHBondContact OD1-NZ 3.33Å
176	F	82.2	Confident	90.4	Very high	40 Å²	40	64.2 Å²	64.2	18%	0.175	32%	0.318	C	S	.	.	H	α-helix	trans	-70.8	-40.4	172.2	-77.9	47.4	0	0	0	110.4	F169 N173 E174 K178 T179 V180 R409 C413	F169-F176 HydrophobicContact CD1-CE2 4.04Å; F169-F176 AromaticContact CE1-CE2 3.96Å; F169-F176 HydrophobicContact CE1-CE2 3.96Å; F169-F176 HydrophobicContact CE1-CZ 4.26Å; N173-F176 HydrophobicContact CB-CB 4.13Å; N173-F176 HydrophobicContact CB-CD1 4.03Å; N173-F176 HydrophobicContact CB-CG 4.14Å; N173-F176 PolarHBondContact O-N 2.79Å; N173-F176 VanDerWaalsContact O-N 3.15Å; N173-F176 WeakPolarHBondContact OD1-CD1 3.25Å; N173-F176 PolarHBondContact OD1-N 2.78Å; N173-F176 VanDerWaalsContact OD1-N 3.15Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 3.48Å; F176-K178 PolarHBondContact O-N 2.77Å; F176-T179 PolarHBondContact O-OG1 2.96Å; F176-T179 VanDerWaalsContact O-OG1 3.1Å; F176-V180 PolarHBondContact O-N 3.37Å; F176-R409 HydrophobicContact CD2-CB 3.88Å; F176-R409 HydrophobicContact CE2-CB 4.13Å; F176-C413 HydrophobicContact CZ-CB 4.2Å
177	L	86.4	Confident	90.3	Very high	76 Å²	76	67.5 Å²	67.5	40%	0.398	33%	0.331	S	S	.	.	H	α-helix	trans	-68.3	-28.9	179.5	-67.9	174.3	0	0	0	113.5	N172 N173 E174 V180 A181	N172-L177 HydrophobicContact CB-CD1 4.13Å; N173-L177 WeakPolarHBondContact O-CG 3.17Å; N173-L177 PolarHBondContact O-N 2.83Å; E174-L177 PolarHBondContact O-N 2.92Å; L177-V180 PolarHBondContact O-N 3.11Å; L177-A181 WeakPolarHBondContact O-CB 3.35Å; L177-A181 PolarHBondContact O-N 3.42Å
178	K	91.6	Very high	90.1	Very high	104 Å²	104	69 Å²	69	45%	0.452	35%	0.346	S	S	.	.	H	α-helix	trans	-56.4	-54.3	176.1	-73.7	165.1	-158.4	169.7	0	111.7	E174 D175 F176 V180 A181 E182	E174-K178 WeakPolarHBondContact O-CG 3.17Å; E174-K178 PolarHBondContact O-N 2.87Å; D175-K178 IonicContact OD1-NZ 2.68Å; D175-K178 PolarHBondContact OD1-NZ 3.33Å; F176-K178 PolarHBondContact O-N 2.77Å; K178-V180 PolarHBondContact O-N 2.91Å; K178-A181 PolarHBondContact O-N 3.43Å; K178-E182 WeakPolarHBondContact O-CG 3.2Å; K178-E182 PolarHBondContact O-N 3.38Å
179	T	90.9	Very high	89.9	Confident	33 Å²	33	72.5 Å²	72.5	20%	0.202	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-38.6	179.7	62.1	0	0	0	0	112.7	F176 A181 E182 K183 R409	F176-T179 PolarHBondContact O-OG1 2.96Å; F176-T179 VanDerWaalsContact O-OG1 3.1Å; T179-A181 PolarHBondContact O-N 3.26Å; T179-E182 WeakPolarHBondContact O-CB 3.46Å; T179-E182 PolarHBondContact O-N 2.89Å; T179-K183 WeakPolarHBondContact O-CG 3.27Å; T179-K183 PolarHBondContact O-N 2.97Å; T179-R409 WeakPolarHBondContact OG1-CD 3.32Å
180	V	93.8	Very high	89.7	Confident	26 Å²	26	73.4 Å²	73.4	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-62.2	-43.3	174.8	174.8	0	0	0	0	110.9	F176 L177 K178 K183 V184 A402 E405 Q406	F176-V180 PolarHBondContact O-N 3.37Å; L177-V180 PolarHBondContact O-N 3.11Å; K178-V180 PolarHBondContact O-N 2.91Å; V180-K183 PolarHBondContact O-N 2.8Å; V180-V184 WeakPolarHBondContact O-CG2 3.29Å; V180-V184 PolarHBondContact O-N 2.66Å; V180-A402 HydrophobicContact CG1-CB 4Å; V180-E405 HydrophobicContact CG2-CB 4.23Å; V180-E405 HydrophobicContact CG2-CG 3.98Å; V180-Q406 HydrophobicContact CG2-CB 4.24Å
181	A	94.4	Very high	89.7	Confident	36 Å²	36	73.9 Å²	73.9	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-36.5	176.8	0	0	0	0	0	112.6	L177 K178 T179 V184 R185	L177-A181 WeakPolarHBondContact O-CB 3.35Å; L177-A181 PolarHBondContact O-N 3.42Å; K178-A181 PolarHBondContact O-N 3.43Å; T179-A181 PolarHBondContact O-N 3.26Å; A181-V184 PolarHBondContact O-N 3.39Å; A181-R185 WeakPolarHBondContact O-CG 3.35Å; A181-R185 PolarHBondContact O-N 3.3Å
182	E	94.9	Very high	90	Very high	106 Å²	106	77 Å²	77	50%	0.495	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-43.3	171.4	-71.5	161	-169.2	0	0	111.8	K178 T179 R185 Q186	K178-E182 WeakPolarHBondContact O-CG 3.2Å; K178-E182 PolarHBondContact O-N 3.38Å; T179-E182 WeakPolarHBondContact O-CB 3.46Å; T179-E182 PolarHBondContact O-N 2.89Å; E182-R185 WeakPolarHBondContact O-CB 3.44Å; E182-R185 PolarHBondContact O-N 2.94Å; E182-Q186 WeakPolarHBondContact O-CB 3.48Å; E182-Q186 PolarHBondContact O-N 3.49Å
183	K	95	Very high	90.8	Very high	46 Å²	46	73 Å²	73	20%	0.2	40%	0.396	C	S	.	.	H	α-helix	trans	-68.5	-32.7	176.9	-65	-65	176.4	-175.1	0	113.2	T179 V180 Q186 Y187 I203 E405	T179-K183 WeakPolarHBondContact O-CG 3.27Å; T179-K183 PolarHBondContact O-N 2.97Å; V180-K183 PolarHBondContact O-N 2.8Å; K183-Q186 PolarHBondContact O-N 2.97Å; K183-Y187 HydrophobicContact CD-CD2 4.17Å; K183-Y187 HydrophobicContact CD-CE2 3.88Å; K183-Y187 PolarHBondContact O-N 2.88Å; K183-I203 HydrophobicContact CB-CD1 4.46Å; K183-I203 HydrophobicContact CD-CD1 4.06Å; K183-I203 HydrophobicContact CG-CD1 4.26Å; K183-E405 HydrophobicContact CB-CB 4.17Å; K183-E405 HydrophobicContact CB-CG 4.43Å; K183-E405 HydrophobicContact CG-CB 3.89Å; K183-E405 HydrophobicContact CG-CG 3.79Å
184	V	95.7	Very high	91.3	Very high	56 Å²	56	70.3 Å²	70.3	34%	0.339	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-41.3	168.7	169.9	0	0	0	0	111.4	V180 A181 Q186 G188 A402	V180-V184 WeakPolarHBondContact O-CG2 3.29Å; V180-V184 PolarHBondContact O-N 2.66Å; A181-V184 PolarHBondContact O-N 3.39Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-G188 WeakPolarHBondContact O-CA 3.04Å; V184-G188 PolarHBondContact O-N 2.67Å; V184-A402 HydrophobicContact CG2-CB 3.52Å
185	R	96.1	Very high	91.7	Very high	198 Å²	198	64.3 Å²	64.3	75%	0.747	35%	0.353	S	S	*	.	H	α-helix	trans	-67.2	-33.5	174.3	-67.9	170.2	-169.3	132.6	-0.8	112.4	A181 E182	A181-R185 WeakPolarHBondContact O-CG 3.35Å; A181-R185 PolarHBondContact O-N 3.3Å; E182-R185 WeakPolarHBondContact O-CB 3.44Å; E182-R185 PolarHBondContact O-N 2.94Å
186	Q	95.3	Very high	92.1	Very high	112 Å²	112	64.5 Å²	64.5	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-77.2	-41.5	-178.3	-173.7	177.9	12.6	0	0	113.4	E182 K183 V184	E182-Q186 WeakPolarHBondContact O-CB 3.48Å; E182-Q186 PolarHBondContact O-N 3.49Å; K183-Q186 PolarHBondContact O-N 2.97Å; V184-Q186 VanDerWaalsContact C-N 3.33Å
187	Y	94.1	Very high	92.5	Very high	70 Å²	70	68.8 Å²	68.8	28%	0.275	37%	0.371	S	S	.	.	H	α-helix	trans	-122.6	-1.6	-169.6	-62.9	-75.9	0	0	0	114.6	K183 L201 I203 P401	K183-Y187 HydrophobicContact CD-CD2 4.17Å; K183-Y187 HydrophobicContact CD-CE2 3.88Å; K183-Y187 PolarHBondContact O-N 2.88Å; Y187-L201 HydrophobicContact CD1-CD1 3.99Å; Y187-I203 HydrophobicContact CE2-CB 4.41Å; Y187-I203 HydrophobicContact CE2-CD1 4.36Å; Y187-P401 HydrophobicContact CD2-CB 4.2Å; Y187-P401 HydrophobicContact CG-CB 4.18Å; Y187-P401 HydrophobicContact CG-CG 4.35Å
188	G	93.3	Very high	92.8	Very high	31 Å²	31	72.2 Å²	72.2	32%	0.32	39%	0.388	S	S	.	.			trans	75.4	-178.5	-170.3	0	0	0	0	0	113.5	V184	V184-G188 WeakPolarHBondContact O-CA 3.04Å; V184-G188 PolarHBondContact O-N 2.67Å
189	A	91.2	Very high	92.8	Very high	76 Å²	76	67.2 Å²	67.2	63%	0.628	37%	0.367	S	S	*	.	S	Bend	trans	-78.2	-21	-178.3	0	0	0	0	0	113.9	S400	A189-S400 WeakPolarHBondContact O-CB 3.29Å; A189-S400 PolarHBondContact O-OG 3.36Å
190	G	90.6	Very high	92.9	Very high	37 Å²	37	68.6 Å²	68.6	38%	0.381	37%	0.373	S	S	.	.			trans	-166.3	156	-178.5	0	0	0	0	0	111.6
191	V	90.4	Very high	92.9	Very high	32 Å²	32	69.2 Å²	69.2	19%	0.194	38%	0.375	C	S	.	.			trans	-93.2	-15.9	-169.8	-158.7	0	0	0	0	113.2	S193 L201 H204 A398 P401	V191-S193 PolarHBondContact O-N 2.89Å; V191-L201 HydrophobicContact CB-CD1 4.4Å; V191-L201 HydrophobicContact CG1-CD1 3.82Å; V191-L201 HydrophobicContact CG1-CD2 4.32Å; V191-L201 HydrophobicContact CG1-CG 4.01Å; V191-L201 HydrophobicContact CG2-CD1 3.6Å; V191-L201 HydrophobicContact CG2-CG 4.39Å; V191-H204 WeakPolarHBondContact CG2-CE1 3.36Å; V191-A398 HydrophobicContact CB-CB 4.37Å; V191-A398 HydrophobicContact CG2-CB 4.39Å; V191-P401 HydrophobicContact CG2-CG 4.02Å
192	C	91.2	Very high	93	Very high	122 Å²	122	73.8 Å²	73.8	82%	0.824	39%	0.388	S	S	*	.			trans	57	20.8	173.5	-58.8	0	0	0	0	116.4
193	S	93.7	Very high	93.1	Very high	16 Å²	16	68.7 Å²	68.7	11%	0.112	37%	0.365	C	S	.	.	S	Bend	trans	-147.5	164.1	175.3	177	0	0	0	0	110.3	V191 E197 I198 G199 A398	V191-S193 PolarHBondContact O-N 2.89Å; S193-E197 WeakPolarHBondContact OG-CB 3.28Å; S193-E197 PolarHBondContact OG-OE2 3.02Å; S193-E197 VanDerWaalsContact OG-OE2 3.08Å; S193-I198 WeakPolarHBondContact OG-CG1 3.21Å; S193-I198 PolarHBondContact OG-N 3.44Å; S193-G199 PolarHBondContact OG-N 3.17Å; S193-A398 PolarHBondContact O-N 3.36Å
194	T	93.4	Very high	93.2	Very high	15 Å²	15	66.5 Å²	66.5	9%	0.092	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-79.3	164.6	-178.8	69.7	0	0	0	0	112.2	Q196 E197 G199 V394 A396	T194-Q196 PolarHBondContact O-N 3.3Å; T194-E197 WeakPolarHBondContact CB-OE2 3.27Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.41Å; T194-E197 PolarHBondContact N-OE2 3.27Å; T194-E197 VanDerWaalsContact N-OE2 3.15Å; T194-E197 PolarHBondContact O-N 3.25Å; T194-E197 VanDerWaalsContact OG1-CD 3.23Å; T194-E197 VanDerWaalsContact OG1-CG 3.25Å; T194-E197 WeakPolarHBondContact OG1-CG 3.21Å; T194-E197 PolarHBondContact OG1-OE2 3.18Å; T194-G199 WeakPolarHBondContact O-CA 3.19Å; T194-G199 PolarHBondContact O-N 3.43Å; T194-V394 WeakPolarHBondContact CG2-O 3.16Å; T194-A396 WeakPolarHBondContact CA-O 3.46Å
195	R	90.6	Very high	93.3	Very high	24 Å²	24	68.5 Å²	68.5	9%	0.091	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.8	180	-73.6	-68	-60.2	-69.9	6.4	113.9	N200 E208 M221 I222 A398	R195-N200 VanDerWaalsContact CZ-OD1 3.27Å; R195-N200 PolarHBondContact NE-OD1 2.61Å; R195-N200 PolarHBondContact NH2-OD1 3.06Å; R195-E208 IonicContact CZ-OE1 3.68Å; R195-E208 VanDerWaalsContact CZ-OE1 3.27Å; R195-E208 IonicContact NH1-OE1 2.69Å; R195-E208 PolarHBondContact NH1-OE1 3.1Å; R195-E208 VanDerWaalsContact NH2-CD 3.31Å; R195-E208 IonicContact NH2-OE1 3.15Å; R195-E208 PolarHBondContact NH2-OE1 3.31Å; R195-E208 IonicContact NH2-OE2 2.88Å; R195-E208 PolarHBondContact NH2-OE2 3Å; R195-E208 VanDerWaalsContact NH2-OE2 3.15Å; R195-M221 HydrophobicContact CB-CE 4.41Å; R195-I222 PolarHBondContact NH1-O 3.43Å; R195-A398 HydrophobicContact CG-CB 4.03Å
196	Q	90.5	Very high	93.3	Very high	99 Å²	99	62.3 Å²	62.3	46%	0.463	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-19	178.9	-168.7	171.6	11.7	0	0	113.6	T194 A393	T194-Q196 PolarHBondContact O-N 3.3Å; Q196-A393 PolarHBondContact N-O 3.37Å
197	E	90.3	Very high	93.5	Very high	129 Å²	129	57 Å²	57	60%	0.603	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-118.7	177.2	-62	165.4	130.5	0	0	110.6	S193 T194	S193-E197 WeakPolarHBondContact OG-CB 3.28Å; S193-E197 PolarHBondContact OG-OE2 3.02Å; S193-E197 VanDerWaalsContact OG-OE2 3.08Å; T194-E197 WeakPolarHBondContact CB-OE2 3.27Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.41Å; T194-E197 PolarHBondContact N-OE2 3.27Å; T194-E197 VanDerWaalsContact N-OE2 3.15Å; T194-E197 PolarHBondContact O-N 3.25Å; T194-E197 VanDerWaalsContact OG1-CD 3.23Å; T194-E197 VanDerWaalsContact OG1-CG 3.25Å; T194-E197 WeakPolarHBondContact OG1-CG 3.21Å; T194-E197 PolarHBondContact OG1-OE2 3.18Å
198	I	91.3	Very high	93.7	Very high	148 Å²	148	54 Å²	54	76%	0.759	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	3.2	-179.9	62.7	173.3	0	0	0	112.8	S193 N200	S193-I198 WeakPolarHBondContact OG-CG1 3.21Å; S193-I198 PolarHBondContact OG-N 3.44Å; I198-N200 VanDerWaalsContact C-N 3.31Å; I198-N200 PolarHBondContact O-N 2.91Å
199	G	91.6	Very high	94	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.312	C	S	.	.			trans	-81.2	-0.6	-179.1	0	0	0	0	0	115.3	S193 T194 H204 A398	S193-G199 PolarHBondContact OG-N 3.17Å; T194-G199 WeakPolarHBondContact O-CA 3.19Å; T194-G199 PolarHBondContact O-N 3.43Å; G199-H204 PolarHBondContact O-CE1 2.8Å; G199-H204 PolarHBondContact O-ND1 3.25Å; G199-A398 WeakPolarHBondContact O-CB 3.47Å
200	N	93.3	Very high	94.3	Very high	61 Å²	61	54.4 Å²	54.4	33%	0.326	29%	0.285	S	S	.	.			trans	-83	118.2	174.8	-171.1	61.5	0	0	0	111.2	R195 I198 E205	R195-N200 VanDerWaalsContact CZ-OD1 3.27Å; R195-N200 PolarHBondContact NE-OD1 2.61Å; R195-N200 PolarHBondContact NH2-OD1 3.06Å; I198-N200 VanDerWaalsContact C-N 3.31Å; I198-N200 PolarHBondContact O-N 2.91Å; N200-E205 PolarHBondContact ND2-OE1 3.01Å
201	L	95	Very high	94.7	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.209	27%	0.266	C	S	.	.			trans	-121	150.6	179.4	-59.7	179.7	0	0	0	110.8	Y187 V191 I203 H204 E205 P401	Y187-L201 HydrophobicContact CD1-CD1 3.99Å; V191-L201 HydrophobicContact CB-CD1 4.4Å; V191-L201 HydrophobicContact CG1-CD1 3.82Å; V191-L201 HydrophobicContact CG1-CD2 4.32Å; V191-L201 HydrophobicContact CG1-CG 4.01Å; V191-L201 HydrophobicContact CG2-CD1 3.6Å; V191-L201 HydrophobicContact CG2-CG 4.39Å; L201-I203 HydrophobicContact CB-CG2 4.05Å; L201-I203 PolarHBondContact O-N 2.72Å; L201-H204 PolarHBondContact N-ND1 2.97Å; L201-H204 VanDerWaalsContact N-ND1 3.18Å; L201-H204 VanDerWaalsContact O-CB 3.31Å; L201-H204 WeakPolarHBondContact O-CB 3.32Å; L201-H204 PolarHBondContact O-N 3.18Å; L201-E205 PolarHBondContact O-N 3.35Å; L201-P401 HydrophobicContact CD1-CG 4.26Å
202	K	95.6	Very high	95.1	Very high	131 Å²	131	51.1 Å²	51.1	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-50.6	-34.1	177.3	-171.6	172.9	-174	-84.1	0	113.8	H204 E205 E206	K202-H204 VanDerWaalsContact C-N 3.29Å; K202-H204 PolarHBondContact O-N 3.26Å; K202-E205 PolarHBondContact O-N 3.42Å; K202-E206 HydrophobicContact CG-CG 4.4Å; K202-E206 IonicContact NZ-OE1 3.88Å; K202-E206 PolarHBondContact NZ-OE1 2.95Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 3.42Å
203	I	96.6	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-32	176.7	-162.3	179.4	0	0	0	112.8	K183 Y187 L201 L207 P401 T404 E405 M408	K183-I203 HydrophobicContact CB-CD1 4.46Å; K183-I203 HydrophobicContact CD-CD1 4.06Å; K183-I203 HydrophobicContact CG-CD1 4.26Å; Y187-I203 HydrophobicContact CE2-CB 4.41Å; Y187-I203 HydrophobicContact CE2-CD1 4.36Å; L201-I203 HydrophobicContact CB-CG2 4.05Å; L201-I203 PolarHBondContact O-N 2.72Å; I203-L207 PolarHBondContact O-N 3Å; I203-L207 VanDerWaalsContact O-N 3.13Å; I203-P401 HydrophobicContact CD1-CB 4.36Å; I203-P401 HydrophobicContact CG2-CB 4.49Å; I203-T404 HydrophobicContact CB-CG2 4.48Å; I203-T404 HydrophobicContact CD1-CG2 4.32Å; I203-T404 HydrophobicContact CG1-CG2 3.84Å; I203-T404 HydrophobicContact CG2-CG2 4.35Å; I203-T404 VanDerWaalsContact O-CG2 3.29Å; I203-T404 WeakPolarHBondContact O-CG2 3.49Å; I203-E405 HydrophobicContact CD1-CB 4.38Å; I203-M408 HydrophobicContact CG1-SD 3.95Å
204	H	97.3	Very high	95.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-70.4	-39.1	174.4	-54.1	142.9	0	0	0	111.3	V191 G199 L201 K202 L207 E208 I222 A398 M399	V191-H204 WeakPolarHBondContact CG2-CE1 3.36Å; G199-H204 PolarHBondContact O-CE1 2.8Å; G199-H204 PolarHBondContact O-ND1 3.25Å; L201-H204 PolarHBondContact N-ND1 2.97Å; L201-H204 VanDerWaalsContact N-ND1 3.18Å; L201-H204 VanDerWaalsContact O-CB 3.31Å; L201-H204 WeakPolarHBondContact O-CB 3.32Å; L201-H204 PolarHBondContact O-N 3.18Å; K202-H204 VanDerWaalsContact C-N 3.29Å; K202-H204 PolarHBondContact O-N 3.26Å; H204-L207 PolarHBondContact O-N 3Å; H204-E208 WeakPolarHBondContact O-CB 3.25Å; H204-E208 WeakPolarHBondContact O-CG 3.44Å; H204-E208 PolarHBondContact O-N 3.03Å; H204-I222 HydrophobicContact CB-CD1 3.9Å; H204-I222 HydrophobicContact CB-CG1 4.49Å; H204-A398 WeakPolarHBondContact CE1-CB 3.4Å; H204-M399 PolarHBondContact NE2-O 2.99Å
205	E	97.1	Very high	95.7	Very high	97 Å²	97	47.3 Å²	47.3	45%	0.453	23%	0.227	S	C	.	.	H	α-helix	trans	-69.3	-39.3	177.5	-60.1	174	160.2	0	0	111.4	N200 L201 K202 L207 E208 Q209	N200-E205 PolarHBondContact ND2-OE1 3.01Å; L201-E205 PolarHBondContact O-N 3.35Å; K202-E205 PolarHBondContact O-N 3.42Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 3.07Å; E205-E208 PolarHBondContact O-N 3.49Å; E205-Q209 PolarHBondContact O-N 2.56Å
206	E	98.1	Very high	95.9	Very high	69 Å²	69	48.3 Å²	48.3	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-38	172.6	-73.9	175.1	-165.9	0	0	112.1	K202 L210 M408	K202-E206 HydrophobicContact CG-CG 4.4Å; K202-E206 IonicContact NZ-OE1 3.88Å; K202-E206 PolarHBondContact NZ-OE1 2.95Å; K202-E206 WeakPolarHBondContact O-CG 3.35Å; K202-E206 PolarHBondContact O-N 3.42Å; E206-L210 VanDerWaalsContact O-CB 3.31Å; E206-L210 WeakPolarHBondContact O-CB 3.42Å; E206-L210 PolarHBondContact O-N 2.91Å; E206-L210 VanDerWaalsContact O-N 3.09Å; E206-M408 HydrophobicContact CB-CE 3.6Å; E206-M408 HydrophobicContact CB-SD 4.32Å
207	L	98.4	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-73	-39.3	171.7	179.5	57.1	0	0	0	112.2	I203 H204 E205 Q209 L210 V211 I222 F365 M399 T404 V407 M408 M411	I203-L207 PolarHBondContact O-N 3Å; I203-L207 VanDerWaalsContact O-N 3.13Å; H204-L207 PolarHBondContact O-N 3Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 3.07Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.13Å; L207-L210 PolarHBondContact O-N 2.88Å; L207-L210 VanDerWaalsContact O-N 3.16Å; L207-V211 HydrophobicContact CD1-CG2 3.88Å; L207-V211 HydrophobicContact CG-CG2 4.21Å; L207-V211 WeakPolarHBondContact O-CB 3.36Å; L207-V211 VanDerWaalsContact O-CG2 3.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.37Å; L207-V211 PolarHBondContact O-N 2.85Å; L207-I222 HydrophobicContact CB-CD1 4.29Å; L207-I222 HydrophobicContact CD2-CD1 3.87Å; L207-I222 HydrophobicContact CD2-CG2 4.18Å; L207-I222 HydrophobicContact CG-CD1 4.32Å; L207-I222 HydrophobicContact CG-CG2 4.12Å; L207-F365 HydrophobicContact CD2-CE2 4.24Å; L207-F365 HydrophobicContact CD2-CZ 4.32Å; L207-M399 HydrophobicContact CD2-SD 4.34Å; L207-T404 HydrophobicContact CB-CG2 3.78Å; L207-T404 HydrophobicContact CD2-CG2 3.73Å; L207-T404 HydrophobicContact CG-CG2 4.4Å; L207-V407 HydrophobicContact CD1-CB 4.24Å; L207-V407 HydrophobicContact CD1-CG1 3.62Å; L207-V407 HydrophobicContact CD2-CB 3.95Å; L207-V407 HydrophobicContact CD2-CG1 3.89Å; L207-V407 HydrophobicContact CG-CG1 4.43Å; L207-M408 HydrophobicContact CB-CG 3.8Å; L207-M408 HydrophobicContact CB-SD 4.02Å; L207-M408 HydrophobicContact CD1-CG 3.75Å; L207-M408 HydrophobicContact CG-CG 4.23Å; L207-M411 HydrophobicContact CD1-SD 4.46Å
208	E	98.4	Very high	96.6	Very high	6 Å²	6	44 Å²	44	3%	0.028	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-38.5	177.4	-80.2	175.4	179.8	0	0	112.2	R195 H204 E205 A212 S220 M221 I222 R387	R195-E208 IonicContact CZ-OE1 3.68Å; R195-E208 VanDerWaalsContact CZ-OE1 3.27Å; R195-E208 IonicContact NH1-OE1 2.69Å; R195-E208 PolarHBondContact NH1-OE1 3.1Å; R195-E208 VanDerWaalsContact NH2-CD 3.31Å; R195-E208 IonicContact NH2-OE1 3.15Å; R195-E208 PolarHBondContact NH2-OE1 3.31Å; R195-E208 IonicContact NH2-OE2 2.88Å; R195-E208 PolarHBondContact NH2-OE2 3Å; R195-E208 VanDerWaalsContact NH2-OE2 3.15Å; H204-E208 WeakPolarHBondContact O-CB 3.25Å; H204-E208 WeakPolarHBondContact O-CG 3.44Å; H204-E208 PolarHBondContact O-N 3.03Å; E205-E208 PolarHBondContact O-N 3.49Å; E208-A212 WeakPolarHBondContact O-CB 3.12Å; E208-A212 PolarHBondContact O-N 3.17Å; E208-S220 VanDerWaalsContact CA-OG 3.3Å; E208-S220 WeakPolarHBondContact CA-OG 3.4Å; E208-S220 PolarHBondContact O-OG 2.88Å; E208-M221 VanDerWaalsContact OE1-CA 3.31Å; E208-M221 WeakPolarHBondContact OE1-CA 3.38Å; E208-I222 HydrophobicContact CG-CB 4.32Å; E208-I222 HydrophobicContact CG-CG1 4.02Å; E208-I222 HydrophobicContact CG-CG2 3.86Å; E208-I222 PolarHBondContact OE1-N 2.77Å; E208-R387 IonicContact OE2-CZ 3.55Å; E208-R387 IonicContact OE2-NE 2.66Å; E208-R387 IonicContact OE2-NH2 3.58Å; E208-R387 PolarHBondContact OE2-NH2 3.38Å
209	Q	98.5	Very high	97	Very high	105 Å²	105	37.8 Å²	37.8	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-68.7	-43.5	171.4	-172.7	60.1	54.5	0	0	111.5	E205 L207 V211 A212 D213	E205-Q209 PolarHBondContact O-N 2.56Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.13Å; Q209-V211 VanDerWaalsContact C-N 3.31Å; Q209-V211 PolarHBondContact O-N 3.41Å; Q209-A212 WeakPolarHBondContact O-CB 3.38Å; Q209-A212 PolarHBondContact O-N 3.47Å; Q209-A212 VanDerWaalsContact O-N 3.13Å; Q209-D213 PolarHBondContact NE2-OD1 2.8Å; Q209-D213 PolarHBondContact O-N 2.85Å
210	L	98.5	Very high	97.3	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-36.4	180	-172.3	66.8	0	0	0	112.6	E206 L207 F214 M408 M411 K412 M415 K417	E206-L210 VanDerWaalsContact O-CB 3.31Å; E206-L210 WeakPolarHBondContact O-CB 3.42Å; E206-L210 PolarHBondContact O-N 2.91Å; E206-L210 VanDerWaalsContact O-N 3.09Å; L207-L210 PolarHBondContact O-N 2.88Å; L207-L210 VanDerWaalsContact O-N 3.16Å; L210-F214 VanDerWaalsContact O-CB 3.23Å; L210-F214 WeakPolarHBondContact O-CB 3.43Å; L210-F214 PolarHBondContact O-N 2.85Å; L210-M408 HydrophobicContact CD2-CB 4.12Å; L210-M408 HydrophobicContact CD2-CG 4.11Å; L210-M411 HydrophobicContact CB-SD 4.35Å; L210-M411 HydrophobicContact CD2-CB 3.91Å; L210-M411 HydrophobicContact CD2-CG 4.02Å; L210-M411 HydrophobicContact CD2-SD 4.13Å; L210-M411 HydrophobicContact CG-CB 4.39Å; L210-M411 HydrophobicContact CG-CG 3.93Å; L210-M411 HydrophobicContact CG-SD 3.77Å; L210-K412 HydrophobicContact CD1-CG 4.39Å; L210-K412 HydrophobicContact CD2-CG 4.03Å; L210-M415 HydrophobicContact CD1-SD 3.74Å; L210-M415 HydrophobicContact CG-SD 4.42Å; L210-K417 HydrophobicContact CD1-CD 3.89Å
211	V	98.6	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-43.4	172.4	169.3	0	0	0	0	111	L207 Q209 F214 I215 S220 I222 F365 Y375 A377 M411	L207-V211 HydrophobicContact CD1-CG2 3.88Å; L207-V211 HydrophobicContact CG-CG2 4.21Å; L207-V211 WeakPolarHBondContact O-CB 3.36Å; L207-V211 VanDerWaalsContact O-CG2 3.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.37Å; L207-V211 PolarHBondContact O-N 2.85Å; Q209-V211 VanDerWaalsContact C-N 3.31Å; Q209-V211 PolarHBondContact O-N 3.41Å; V211-F214 PolarHBondContact O-N 2.82Å; V211-I215 HydrophobicContact CG1-CD1 3.7Å; V211-I215 WeakPolarHBondContact O-CG1 3.37Å; V211-I215 PolarHBondContact O-N 3.16Å; V211-S220 WeakPolarHBondContact CB-OG 3.23Å; V211-S220 WeakPolarHBondContact CG1-OG 3.36Å; V211-I222 HydrophobicContact CG2-CG2 4.5Å; V211-F365 HydrophobicContact CG2-CE1 4.15Å; V211-F365 HydrophobicContact CG2-CZ 3.85Å; V211-Y375 HydrophobicContact CG1-CD1 4.17Å; V211-Y375 HydrophobicContact CG1-CD2 3.8Å; V211-Y375 HydrophobicContact CG1-CE2 4.31Å; V211-Y375 HydrophobicContact CG1-CG 3.74Å; V211-A377 HydrophobicContact CG1-CB 4.42Å; V211-M411 HydrophobicContact CG2-CE 3.89Å; V211-M411 HydrophobicContact CG2-SD 3.98Å
212	A	98.4	Very high	97.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-47.4	177.7	0	0	0	0	0	111.7	E208 Q209 F214 I215 G216 V217	E208-A212 WeakPolarHBondContact O-CB 3.12Å; E208-A212 PolarHBondContact O-N 3.17Å; Q209-A212 WeakPolarHBondContact O-CB 3.38Å; Q209-A212 PolarHBondContact O-N 3.47Å; Q209-A212 VanDerWaalsContact O-N 3.13Å; A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.47Å; A212-I215 PolarHBondContact O-N 2.76Å; A212-G216 PolarHBondContact O-N 2.83Å; A212-V217 PolarHBondContact O-N 3.44Å; A212-V217 VanDerWaalsContact O-N 3.16Å
213	D	97.9	Very high	97.6	Very high	64 Å²	64	27.4 Å²	27.4	34%	0.342	15%	0.147	S	C	.	.	H	α-helix	trans	-57.1	-43	171.8	-73.6	15.5	0	0	0	112.1	Q209 R345 M415 K417	Q209-D213 PolarHBondContact NE2-OD1 2.8Å; Q209-D213 PolarHBondContact O-N 2.85Å; D213-R345 PolarHBondContact O-NH2 2.71Å; D213-M415 HydrophobicContact CB-CE 3.97Å; D213-K417 IonicContact OD2-NZ 3.81Å; D213-K417 PolarHBondContact OD2-NZ 3.06Å
214	F	97.8	Very high	97.4	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-44.3	-176.7	179.2	-128.6	0	0	0	111	L210 V211 A212 I337 G344 R345 F369 M411 I414 M415	L210-F214 VanDerWaalsContact O-CB 3.23Å; L210-F214 WeakPolarHBondContact O-CB 3.43Å; L210-F214 PolarHBondContact O-N 2.85Å; V211-F214 PolarHBondContact O-N 2.82Å; A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.47Å; F214-I337 HydrophobicContact CD1-CD1 4.22Å; F214-I337 HydrophobicContact CE1-CD1 3.59Å; F214-I337 HydrophobicContact CE1-CG1 3.99Å; F214-I337 HydrophobicContact CZ-CD1 4.42Å; F214-G344 WeakPolarHBondContact CZ-O 3.3Å; F214-R345 HydrophobicContact CD2-CG 4.42Å; F214-R345 HydrophobicContact CE2-CG 3.96Å; F214-R345 HydrophobicContact CZ-CG 4.25Å; F214-R345 WeakPolarHBondContact O-CG 3.24Å; F214-R345 PolarHBondContact O-NE 3.37Å; F214-R345 PolarHBondContact O-NH2 3.31Å; F214-F369 HydrophobicContact CD1-CZ 4.4Å; F214-F369 HydrophobicContact CE1-CE1 4.42Å; F214-F369 AromaticContact CE1-CZ 3.95Å; F214-F369 HydrophobicContact CE1-CZ 3.95Å; F214-M411 HydrophobicContact CB-CG 4.1Å; F214-M411 HydrophobicContact CB-SD 3.83Å; F214-M411 HydrophobicContact CD1-CE 3.91Å; F214-M411 HydrophobicContact CD1-CG 4.29Å; F214-M411 HydrophobicContact CD1-SD 4.21Å; F214-M411 HydrophobicContact CG-CG 4.1Å; F214-M411 HydrophobicContact CG-SD 4.23Å; F214-I414 HydrophobicContact CD2-CG2 4.43Å; F214-I414 HydrophobicContact CE2-CG2 3.47Å; F214-I414 VanDerWaalsContact CE2-CG2 3.47Å; F214-I414 HydrophobicContact CZ-CG2 3.64Å; F214-M415 HydrophobicContact CB-CE 4.28Å; F214-M415 HydrophobicContact CB-CG 4.49Å; F214-M415 HydrophobicContact CB-SD 3.83Å; F214-M415 HydrophobicContact CD2-CG 3.61Å; F214-M415 HydrophobicContact CD2-SD 4.08Å; F214-M415 HydrophobicContact CE2-CG 4.3Å; F214-M415 HydrophobicContact CG-CG 4.38Å; F214-M415 HydrophobicContact CG-SD 4.33Å
215	I	95.8	Very high	97.2	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-83.1	-27.5	-176	-62.1	167.2	0	0	0	111.9	V211 A212 V217 I337 M361 Y375 A377	V211-I215 HydrophobicContact CG1-CD1 3.7Å; V211-I215 WeakPolarHBondContact O-CG1 3.37Å; V211-I215 PolarHBondContact O-N 3.16Å; A212-I215 PolarHBondContact O-N 2.76Å; I215-V217 HydrophobicContact CB-CG2 4.25Å; I215-V217 HydrophobicContact CG2-CG1 4.08Å; I215-V217 HydrophobicContact CG2-CG2 4.15Å; I215-I337 HydrophobicContact CG1-CD1 4.44Å; I215-M361 HydrophobicContact CG2-CE 4.37Å; I215-M361 HydrophobicContact CG2-SD 3.32Å; I215-M361 WeakPolarHBondContact CG2-SD 3.4Å; I215-Y375 HydrophobicContact CD1-CD2 4.01Å; I215-Y375 HydrophobicContact CD1-CE1 4.46Å; I215-Y375 HydrophobicContact CD1-CE2 3.27Å; I215-A377 HydrophobicContact CD1-CB 3.9Å
216	G	96.2	Very high	96.9	Very high	46 Å²	46	30.5 Å²	30.5	47%	0.474	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	44.7	-175.9	0	0	0	0	0	113	A212	A212-G216 PolarHBondContact O-N 2.83Å
217	V	97.3	Very high	96.8	Very high	25 Å²	25	30.8 Å²	30.8	15%	0.152	18%	0.175	C	C	.	.	S	Bend	trans	-131.5	166	178.2	-64.5	0	0	0	0	111.1	A212 I215 S219 P355 M361 A377	A212-V217 PolarHBondContact O-N 3.44Å; A212-V217 VanDerWaalsContact O-N 3.16Å; I215-V217 HydrophobicContact CB-CG2 4.25Å; I215-V217 HydrophobicContact CG2-CG1 4.08Å; I215-V217 HydrophobicContact CG2-CG2 4.15Å; V217-S219 PolarHBondContact O-N 2.97Å; V217-P355 HydrophobicContact CG1-CB 3.72Å; V217-M361 HydrophobicContact CG1-CE 4.39Å; V217-M361 HydrophobicContact CG1-SD 4.45Å; V217-A377 HydrophobicContact CG2-CB 3.73Å
218	E	97.9	Very high	96.6	Very high	111 Å²	111	31.7 Å²	31.7	52%	0.519	18%	0.183	S	C	.	.	S	Bend	trans	-68.2	-34.3	-170.6	-61.9	167	-165	0	0	114.2	G378 R379 K380	E218-G378 PolarHBondContact N-O 2.96Å; E218-R379 VanDerWaalsContact OE2-CA 3.23Å; E218-R379 WeakPolarHBondContact OE2-CA 3.49Å; E218-R379 WeakPolarHBondContact OE2-CB 3.16Å; E218-K380 HydrophobicContact CB-CB 4.3Å; E218-K380 PolarHBondContact OE2-N 3.35Å
219	S	98.2	Very high	96.5	Very high	18 Å²	18	31.4 Å²	31.4	13%	0.126	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	163.2	-177.6	-156.4	0	0	0	0	112.3	V217 A377 G378	V217-S219 PolarHBondContact O-N 2.97Å; S219-A377 WeakPolarHBondContact O-CA 3.43Å; S219-G378 PolarHBondContact N-O 2.86Å; S219-G378 VanDerWaalsContact N-O 3.09Å; S219-G378 PolarHBondContact O-N 2.89Å
220	S	98.4	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168.8	170.4	84.1	0	0	0	0	112.6	E208 V211 I376 R387	E208-S220 VanDerWaalsContact CA-OG 3.3Å; E208-S220 WeakPolarHBondContact CA-OG 3.4Å; E208-S220 PolarHBondContact O-OG 2.88Å; V211-S220 WeakPolarHBondContact CB-OG 3.23Å; V211-S220 WeakPolarHBondContact CG1-OG 3.36Å; S220-I376 CarbonylContact C-O 3.57Å; S220-I376 VanDerWaalsContact CA-O 3.24Å; S220-I376 WeakPolarHBondContact CA-O 3.35Å; S220-I376 WeakPolarHBondContact CB-O 3.49Å; S220-R387 PolarHBondContact O-NH2 3.48Å
221	M	97	Very high	96.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133	171	-173.3	173.8	-173.5	0	0	110.2	R195 E208 F223 Y375 I376 M383 L386 R387 A393	R195-M221 HydrophobicContact CB-CE 4.41Å; E208-M221 VanDerWaalsContact OE1-CA 3.31Å; E208-M221 WeakPolarHBondContact OE1-CA 3.38Å; M221-F223 HydrophobicContact CB-CE2 4.25Å; M221-F223 HydrophobicContact CB-CZ 3.95Å; M221-F223 HydrophobicContact CE-CE1 3.92Å; M221-F223 HydrophobicContact CE-CZ 4.5Å; M221-F223 HydrophobicContact CG-CE1 3.89Å; M221-F223 HydrophobicContact CG-CE2 4.25Å; M221-F223 HydrophobicContact CG-CZ 3.64Å; M221-F223 VanDerWaalsContact O-CE2 3.26Å; M221-F223 WeakPolarHBondContact O-CE2 3.49Å; M221-F223 HydrophobicContact SD-CE1 3.71Å; M221-F223 HydrophobicContact SD-CZ 3.71Å; M221-Y375 CarbonylContact O-C 3.57Å; M221-Y375 WeakPolarHBondContact O-CA 3.41Å; M221-I376 PolarHBondContact N-O 3.3Å; M221-I376 PolarHBondContact O-N 3Å; M221-M383 HydrophobicContact CB-SD 4.09Å; M221-L386 HydrophobicContact SD-CB 4.32Å; M221-R387 HydrophobicContact CE-CG 3.94Å; M221-R387 HydrophobicContact CG-CG 4.44Å; M221-R387 HydrophobicContact SD-CB 4.37Å; M221-R387 HydrophobicContact SD-CG 3.64Å; M221-A393 HydrophobicContact CE-CB 3.74Å
222	I	97.3	Very high	96.2	Very high	3 Å²	3	29 Å²	29	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.3	179	65.4	172.8	0	0	0	113.7	R195 H204 L207 E208 V211 F365 G374 M399 T404	R195-I222 PolarHBondContact NH1-O 3.43Å; H204-I222 HydrophobicContact CB-CD1 3.9Å; H204-I222 HydrophobicContact CB-CG1 4.49Å; L207-I222 HydrophobicContact CB-CD1 4.29Å; L207-I222 HydrophobicContact CD2-CD1 3.87Å; L207-I222 HydrophobicContact CD2-CG2 4.18Å; L207-I222 HydrophobicContact CG-CD1 4.32Å; L207-I222 HydrophobicContact CG-CG2 4.12Å; E208-I222 HydrophobicContact CG-CB 4.32Å; E208-I222 HydrophobicContact CG-CG1 4.02Å; E208-I222 HydrophobicContact CG-CG2 3.86Å; E208-I222 PolarHBondContact OE1-N 2.77Å; V211-I222 HydrophobicContact CG2-CG2 4.5Å; I222-F365 HydrophobicContact CB-CE2 4.44Å; I222-F365 HydrophobicContact CG2-CE2 4.01Å; I222-F365 HydrophobicContact CG2-CZ 4.07Å; I222-G374 WeakPolarHBondContact CA-O 3.46Å; I222-M399 HydrophobicContact CB-CE 4.17Å; I222-M399 HydrophobicContact CD1-CB 4.42Å; I222-M399 HydrophobicContact CD1-CE 4.33Å; I222-M399 HydrophobicContact CD1-SD 4.17Å; I222-T404 HydrophobicContact CD1-CG2 4.38Å
223	F	95.4	Very high	96.1	Very high	10 Å²	10	29 Å²	29	4%	0.044	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.6	-174.6	-51.4	-78.1	0	0	0	111.7	M221 M225 T229 N233 G373 G374 I376 M399	M221-F223 HydrophobicContact CB-CE2 4.25Å; M221-F223 HydrophobicContact CB-CZ 3.95Å; M221-F223 HydrophobicContact CE-CE1 3.92Å; M221-F223 HydrophobicContact CE-CZ 4.5Å; M221-F223 HydrophobicContact CG-CE1 3.89Å; M221-F223 HydrophobicContact CG-CE2 4.25Å; M221-F223 HydrophobicContact CG-CZ 3.64Å; M221-F223 VanDerWaalsContact O-CE2 3.26Å; M221-F223 WeakPolarHBondContact O-CE2 3.49Å; M221-F223 HydrophobicContact SD-CE1 3.71Å; M221-F223 HydrophobicContact SD-CZ 3.71Å; F223-M225 VanDerWaalsContact C-N 3.27Å; F223-M225 PolarHBondContact O-N 3.39Å; F223-M225 VanDerWaalsContact O-N 3.17Å; F223-T229 HydrophobicContact CD2-CG2 3.73Å; F223-T229 HydrophobicContact CE2-CG2 4.2Å; F223-N233 WeakPolarHBondContact CE1-OD1 3.49Å; F223-N233 WeakPolarHBondContact CZ-ND2 3.47Å; F223-N233 WeakPolarHBondContact CZ-OD1 3.5Å; F223-G373 CarbonylContact O-C 3.53Å; F223-G373 WeakPolarHBondContact O-CA 3.4Å; F223-G374 PolarHBondContact N-O 3.16Å; F223-G374 PolarHBondContact O-N 2.7Å; F223-I376 HydrophobicContact CE2-CB 3.99Å; F223-I376 HydrophobicContact CE2-CD1 4.06Å; F223-I376 HydrophobicContact CE2-CG1 3.83Å; F223-I376 HydrophobicContact CZ-CD1 4.41Å; F223-M399 WeakPolarHBondContact O-CE 3.31Å
224	G	92.8	Very high	96.1	Very high	37 Å²	37	26 Å²	26	38%	0.381	15%	0.154	S	C	.	.	S	Bend	trans	-65.9	-15.8	-173.4	0	0	0	0	0	116.6	G373	G224-G373 WeakPolarHBondContact O-CA 3.34Å
225	M	92.4	Very high	96.1	Very high	116 Å²	116	27.1 Å²	27.1	57%	0.571	16%	0.162	S	C	*	.			trans	-140.5	120.3	-178.8	-172.1	-157.9	-165	0	0	112.2	F223 F227 A228 T229	F223-M225 VanDerWaalsContact C-N 3.27Å; F223-M225 PolarHBondContact O-N 3.39Å; F223-M225 VanDerWaalsContact O-N 3.17Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 HydrophobicContact CE-CB 4.01Å; M225-F227 PolarHBondContact O-N 2.88Å; M225-F227 HydrophobicContact SD-CB 4.2Å; M225-A228 HydrophobicContact CB-CB 4.04Å; M225-A228 HydrophobicContact CG-CB 4.45Å; M225-A228 PolarHBondContact O-N 3.14Å; M225-A228 HydrophobicContact SD-CB 4.05Å; M225-T229 PolarHBondContact O-N 3.48Å; M225-T229 PolarHBondContact O-OG1 2.73Å
226	G	91.6	Very high	96.1	Very high	8 Å²	8	27.6 Å²	27.6	8%	0.082	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-30.1	-176.2	0	0	0	0	0	115.5	T229 M362	G226-T229 WeakPolarHBondContact O-CB 3.46Å; G226-M362 WeakPolarHBondContact O-CE 3.48Å
227	F	95.7	Very high	96.2	Very high	75 Å²	75	26 Å²	26	33%	0.329	15%	0.147	S	C	.	.	H	α-helix	trans	-68.4	-44.5	172.8	-174.8	-79.5	0	0	0	111.3	M225 T229 N230 S231 H251 T252 S253 L256	M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 HydrophobicContact CE-CB 4.01Å; M225-F227 PolarHBondContact O-N 2.88Å; M225-F227 HydrophobicContact SD-CB 4.2Å; F227-T229 VanDerWaalsContact C-N 3.29Å; F227-T229 PolarHBondContact O-N 2.92Å; F227-N230 PolarHBondContact O-N 3.12Å; F227-S231 PolarHBondContact O-N 2.96Å; F227-S231 PolarHBondContact O-OG 2.82Å; F227-H251 AromaticContact CD2-CE1 3.96Å; F227-T252 HydrophobicContact CZ-CG2 4.47Å; F227-S253 WeakPolarHBondContact O-CB 3.46Å; F227-L256 HydrophobicContact CE1-CD2 3.84Å; F227-L256 HydrophobicContact CZ-CD2 4.21Å
228	A	95	Very high	96.2	Very high	20 Å²	20	25.2 Å²	25.2	17%	0.165	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-30.5	178.9	0	0	0	0	0	112.5	M225 N230 S231 M232	M225-A228 HydrophobicContact CB-CB 4.04Å; M225-A228 HydrophobicContact CG-CB 4.45Å; M225-A228 PolarHBondContact O-N 3.14Å; M225-A228 HydrophobicContact SD-CB 4.05Å; A228-N230 CarbonylContact O-C 3.46Å; A228-N230 PolarHBondContact O-N 2.8Å; A228-S231 PolarHBondContact O-N 3.18Å; A228-M232 HydrophobicContact CB-CG 4.04Å; A228-M232 WeakPolarHBondContact O-CB 3.24Å; A228-M232 PolarHBondContact O-N 3.05Å
229	T	96.6	Very high	96.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-47.7	-44.7	173.7	-57.2	0	0	0	0	112	F223 M225 G226 F227 N233 M362 Y375 I376	F223-T229 HydrophobicContact CD2-CG2 3.73Å; F223-T229 HydrophobicContact CE2-CG2 4.2Å; M225-T229 PolarHBondContact O-N 3.48Å; M225-T229 PolarHBondContact O-OG1 2.73Å; G226-T229 WeakPolarHBondContact O-CB 3.46Å; F227-T229 VanDerWaalsContact C-N 3.29Å; F227-T229 PolarHBondContact O-N 2.92Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-ND2 3.48Å; T229-M362 HydrophobicContact CG2-CE 3.78Å; T229-M362 HydrophobicContact CG2-CG 3.55Å; T229-M362 HydrophobicContact CG2-SD 4.49Å; T229-Y375 WeakPolarHBondContact CG2-O 3.3Å; T229-I376 HydrophobicContact CG2-CD1 4.36Å; T229-I376 HydrophobicContact CG2-CG1 3.82Å
230	N	97.8	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-74.9	-61.3	171	-71.5	-19.8	0	0	0	111.1	F227 A228 M232 N233 I234 S253 L254 Y330 D332 M362	F227-N230 PolarHBondContact O-N 3.12Å; A228-N230 CarbonylContact O-C 3.46Å; A228-N230 PolarHBondContact O-N 2.8Å; N230-M232 VanDerWaalsContact C-N 3.29Å; N230-M232 PolarHBondContact O-N 3.41Å; N230-M232 VanDerWaalsContact O-N 3.15Å; N230-N233 PolarHBondContact O-N 3.24Å; N230-I234 HydrophobicContact CB-CD1 4.02Å; N230-I234 VanDerWaalsContact O-CD1 3.31Å; N230-I234 WeakPolarHBondContact O-CD1 3.19Å; N230-I234 VanDerWaalsContact O-CG1 3.27Å; N230-I234 WeakPolarHBondContact O-CG1 3.36Å; N230-I234 PolarHBondContact O-N 3.24Å; N230-I234 VanDerWaalsContact O-N 3.13Å; N230-S253 PolarHBondContact ND2-OG 2.79Å; N230-L254 HydrophobicContact CB-CD2 4.14Å; N230-L254 VanDerWaalsContact CG-CD2 3.47Å; N230-L254 VanDerWaalsContact ND2-CD2 3.33Å; N230-L254 WeakPolarHBondContact ND2-CD2 3.47Å; N230-L254 WeakPolarHBondContact ND2-CG 3.33Å; N230-Y330 PolarHBondContact OD1-OH 3.11Å; N230-D332 PolarHBondContact ND2-OD2 2.98Å; N230-M362 WeakPolarHBondContact OD1-CG 3.46Å; N230-M362 PolarHBondContact OD1-SD 3.44Å
231	S	96.5	Very high	96	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-27.5	-160.6	63.5	0	0	0	0	114.8	F227 A228 P235 G257	F227-S231 PolarHBondContact O-N 2.96Å; F227-S231 PolarHBondContact O-OG 2.82Å; A228-S231 PolarHBondContact O-N 3.18Å; S231-P235 WeakPolarHBondContact O-CD 3.34Å; S231-G257 WeakPolarHBondContact O-CA 3.37Å
232	M	95.1	Very high	96.1	Very high	61 Å²	61	29 Å²	29	30%	0.3	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-22.1	-176.5	-62.4	-68.5	91.8	0	0	113.7	A228 N230 L260 H391 S392	A228-M232 HydrophobicContact CB-CG 4.04Å; A228-M232 WeakPolarHBondContact O-CB 3.24Å; A228-M232 PolarHBondContact O-N 3.05Å; N230-M232 VanDerWaalsContact C-N 3.29Å; N230-M232 PolarHBondContact O-N 3.41Å; N230-M232 VanDerWaalsContact O-N 3.15Å; M232-L260 HydrophobicContact CE-CD1 3.49Å; M232-L260 VanDerWaalsContact CE-CD1 3.49Å; M232-H391 HydrophobicContact CB-CB 4.18Å; M232-H391 PolarHBondContact O-ND1 2.83Å; M232-H391 VanDerWaalsContact O-ND1 3.14Å; M232-H391 HydrophobicContact SD-CB 4.4Å; M232-S392 WeakPolarHBondContact CB-OG 3.38Å
233	N	96.6	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-35.8	178.7	-70.4	-80.5	0	0	0	113.4	F223 T229 N230 P235 A236 I376 L386 S390	F223-N233 WeakPolarHBondContact CE1-OD1 3.49Å; F223-N233 WeakPolarHBondContact CZ-ND2 3.47Å; F223-N233 WeakPolarHBondContact CZ-OD1 3.5Å; T229-N233 WeakPolarHBondContact O-CB 3.47Å; T229-N233 PolarHBondContact O-ND2 3.48Å; N230-N233 PolarHBondContact O-N 3.24Å; N233-P235 VanDerWaalsContact C-CD 3.45Å; N233-P235 VanDerWaalsContact C-N 3.3Å; N233-A236 WeakPolarHBondContact O-CB 3.48Å; N233-A236 PolarHBondContact O-N 2.76Å; N233-I376 HydrophobicContact CB-CD1 3.44Å; N233-I376 VanDerWaalsContact CB-CD1 3.44Å; N233-L386 HydrophobicContact CB-CD2 4.38Å; N233-S390 VanDerWaalsContact OD1-CB 3.27Å; N233-S390 WeakPolarHBondContact OD1-CB 3.42Å; N233-S390 PolarHBondContact OD1-OG 2.82Å
234	I	97.9	Very high	96.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53.4	-39.8	-180	-67.7	159.1	0	0	0	113	N230 A236 L237 V238 L254 M301 Y330	N230-I234 HydrophobicContact CB-CD1 4.02Å; N230-I234 VanDerWaalsContact O-CD1 3.31Å; N230-I234 WeakPolarHBondContact O-CD1 3.19Å; N230-I234 VanDerWaalsContact O-CG1 3.27Å; N230-I234 WeakPolarHBondContact O-CG1 3.36Å; N230-I234 PolarHBondContact O-N 3.24Å; N230-I234 VanDerWaalsContact O-N 3.13Å; I234-A236 PolarHBondContact O-N 2.8Å; I234-L237 PolarHBondContact O-N 3.31Å; I234-V238 HydrophobicContact CG2-CG2 4.09Å; I234-V238 PolarHBondContact O-N 2.92Å; I234-L254 HydrophobicContact CD1-CD2 4.19Å; I234-M301 HydrophobicContact CD1-CE 3.54Å; I234-M301 HydrophobicContact CG1-CE 4.33Å; I234-Y330 HydrophobicContact CG1-CE2 3.93Å
235	P	96.9	Very high	96.6	Very high	28 Å²	28	26.7 Å²	26.7	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-17.6	175.4	-26.6	37.2	0	0	0	116.2	S231 N233 L260	S231-P235 WeakPolarHBondContact O-CD 3.34Å; N233-P235 VanDerWaalsContact C-CD 3.45Å; N233-P235 VanDerWaalsContact C-N 3.3Å; P235-L260 HydrophobicContact CG-CB 3.73Å
236	A	96.6	Very high	96.9	Very high	14 Å²	14	21.6 Å²	21.6	12%	0.116	12%	0.119	C	C	.	.	H	α-helix	trans	-82.2	-30.2	171.4	0	0	0	0	0	111.8	N233 I234 Y385 L386 H389	N233-A236 WeakPolarHBondContact O-CB 3.48Å; N233-A236 PolarHBondContact O-N 2.76Å; I234-A236 PolarHBondContact O-N 2.8Å; A236-Y385 HydrophobicContact CB-CE1 4.32Å; A236-Y385 WeakPolarHBondContact O-CE1 3.21Å; A236-Y385 PolarHBondContact O-OH 2.64Å; A236-L386 HydrophobicContact CB-CD2 4.15Å; A236-H389 HydrophobicContact CB-CB 4.34Å
237	L	97.2	Very high	97.2	Very high	12 Å²	12	21.3 Å²	21.3	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-76.7	-37.1	-174.7	-59.4	177.3	0	0	0	112.9	I234 K297 Y330 V360 L382 L386	I234-L237 PolarHBondContact O-N 3.31Å; L237-K297 WeakPolarHBondContact O-CD 3.44Å; L237-K297 PolarHBondContact O-NZ 2.87Å; L237-Y330 HydrophobicContact CD1-CD2 3.81Å; L237-Y330 HydrophobicContact CD1-CE2 3.61Å; L237-V360 HydrophobicContact CD1-CG1 4.14Å; L237-V360 HydrophobicContact CD1-CG2 4.21Å; L237-L382 HydrophobicContact CD2-CD1 3.65Å; L237-L386 HydrophobicContact CD2-CD1 4.5Å; L237-L386 HydrophobicContact CD2-CD2 3.96Å; L237-L386 HydrophobicContact CD2-CG 4.41Å
238	V	97.6	Very high	97.2	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.055	12%	0.121	C	C	.	.			trans	-144.7	160.5	-172.7	-73.5	0	0	0	0	110.7	I234 C242 I244 S261 K297 L299	I234-V238 HydrophobicContact CG2-CG2 4.09Å; I234-V238 PolarHBondContact O-N 2.92Å; V238-C242 HydrophobicContact CB-CB 3.92Å; V238-C242 HydrophobicContact CG1-CB 4.07Å; V238-I244 HydrophobicContact CG2-CD1 3.88Å; V238-I244 HydrophobicContact CG2-CG1 4.1Å; V238-S261 WeakPolarHBondContact O-CB 3.42Å; V238-K297 HydrophobicContact CG1-CB 4.35Å; V238-K297 HydrophobicContact CG1-CD 4.25Å; V238-L299 HydrophobicContact CG1-CB 4.08Å; V238-L299 HydrophobicContact CG1-CD2 3.99Å; V238-L299 HydrophobicContact CG2-CD2 4.18Å
239	G	97.2	Very high	97.3	Very high	15 Å²	15	24.4 Å²	24.4	16%	0.155	13%	0.129	C	C	.	.			trans	-174.9	-147	173.6	0	0	0	0	0	112.9	G241 C242 S261 A263	G239-G241 PolarHBondContact O-N 3.08Å; G239-G241 VanDerWaalsContact O-N 3.1Å; G239-C242 VanDerWaalsContact O-CB 3.26Å; G239-C242 WeakPolarHBondContact O-CB 3.34Å; G239-C242 PolarHBondContact O-N 3.24Å; G239-S261 WeakPolarHBondContact CA-O 3.44Å; G239-A263 WeakPolarHBondContact O-CA 3.18Å
240	K	96.4	Very high	97.3	Very high	178 Å²	178	24.6 Å²	24.6	77%	0.774	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	115.6	-176.2	-67.8	-178.6	-178.7	175.8	0	112.7	K296	K240-K296 PolarHBondContact O-NZ 3.45Å
241	G	96.9	Very high	97.2	Very high	12 Å²	12	27.8 Å²	27.8	12%	0.124	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	3.3	-175.6	0	0	0	0	0	115.2	G239 K296	G239-G241 PolarHBondContact O-N 3.08Å; G239-G241 VanDerWaalsContact O-N 3.1Å; G241-K296 PolarHBondContact O-N 2.87Å
242	C	98.4	Very high	97.1	Very high	7 Å²	7	31.8 Å²	31.8	5%	0.047	17%	0.169	C	C	.	.			trans	-100	158.6	167.5	-56.5	0	0	0	0	111.1	V238 G239 A263 T264 W295 K297	V238-C242 HydrophobicContact CB-CB 3.92Å; V238-C242 HydrophobicContact CG1-CB 4.07Å; G239-C242 VanDerWaalsContact O-CB 3.26Å; G239-C242 WeakPolarHBondContact O-CB 3.34Å; G239-C242 PolarHBondContact O-N 3.24Å; C242-A263 HydrophobicContact CB-CB 4.24Å; C242-T264 PolarHBondContact O-N 3.17Å; C242-W295 VanDerWaalsContact C-CE3 3.41Å; C242-W295 WeakPolarHBondContact O-CZ3 3.22Å; C242-K297 WeakPolarHBondContact CA-O 3.15Å; C242-K297 HydrophobicContact CB-CB 4.32Å
243	L	98.6	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.6	171	174.7	64.7	0	0	0	110.1	V245 T264 R266 A283 W295 K297 I298 L299	L243-V245 HydrophobicContact CD2-CG2 3.82Å; L243-V245 HydrophobicContact CG-CG2 3.87Å; L243-T264 CarbonylContact C-O 3.49Å; L243-T264 WeakPolarHBondContact CA-O 3.32Å; L243-T264 HydrophobicContact CD1-CG2 4.12Å; L243-R266 HydrophobicContact CD1-CB 4.22Å; L243-R266 HydrophobicContact CD1-CG 3.81Å; L243-A283 HydrophobicContact CD2-CB 3.31Å; L243-W295 HydrophobicContact CB-CD2 3.66Å; L243-W295 HydrophobicContact CB-CE3 3.61Å; L243-W295 HydrophobicContact CB-CG 4.24Å; L243-W295 HydrophobicContact CB-CH2 4.1Å; L243-W295 HydrophobicContact CB-CZ2 4.16Å; L243-W295 HydrophobicContact CB-CZ3 3.83Å; L243-W295 HydrophobicContact CD1-CH2 4.26Å; L243-W295 HydrophobicContact CD1-CZ2 4.35Å; L243-W295 HydrophobicContact CD2-CZ2 4.3Å; L243-K297 PolarHBondContact N-O 3.28Å; L243-I298 HydrophobicContact CB-CG1 4.35Å; L243-I298 HydrophobicContact CD2-CG1 4.5Å; L243-I298 HydrophobicContact CD2-CG2 4.17Å; L243-I298 HydrophobicContact CG-CG2 4.46Å; L243-I298 CarbonylContact O-C 3.6Å; L243-I298 WeakPolarHBondContact O-CA 3.28Å; L243-L299 PolarHBondContact O-N 2.98Å
244	I	98.8	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.2	164.5	-66.8	173.5	0	0	0	108.2	V238 A258 A263 T264 I265 R266 L299 M301	V238-I244 HydrophobicContact CG2-CD1 3.88Å; V238-I244 HydrophobicContact CG2-CG1 4.1Å; I244-A258 HydrophobicContact CD1-CB 3.57Å; I244-A258 HydrophobicContact CG2-CB 4.36Å; I244-A263 HydrophobicContact CD1-CB 3.96Å; I244-A263 HydrophobicContact CG1-CB 4.05Å; I244-T264 PolarHBondContact N-O 3.34Å; I244-I265 HydrophobicContact CB-CG1 4.37Å; I244-I265 HydrophobicContact CD1-CG1 4.5Å; I244-I265 HydrophobicContact CG2-CG2 4.34Å; I244-R266 PolarHBondContact O-N 3.28Å; I244-L299 CarbonylContact C-O 3.55Å; I244-L299 WeakPolarHBondContact CA-O 3.45Å; I244-M301 HydrophobicContact CB-SD 4.47Å; I244-M301 HydrophobicContact CD1-SD 4.16Å; I244-M301 HydrophobicContact CG1-SD 4.31Å; I244-M301 HydrophobicContact CG2-CG 4.1Å; I244-M301 HydrophobicContact CG2-SD 3.41Å; I244-M301 WeakPolarHBondContact CG2-SD 3.43Å
245	V	98.6	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	97.9	173.3	-174.5	0	0	0	0	107.6	L243 R266 F268 L276 L279 L280 I298 L299 I300 M301	L243-V245 HydrophobicContact CD2-CG2 3.82Å; L243-V245 HydrophobicContact CG-CG2 3.87Å; V245-R266 WeakPolarHBondContact CA-O 3.34Å; V245-F268 HydrophobicContact CG1-CD1 3.7Å; V245-F268 HydrophobicContact CG1-CE1 4.3Å; V245-L276 HydrophobicContact CB-CD1 4.48Å; V245-L276 HydrophobicContact CG1-CD1 3.54Å; V245-L279 HydrophobicContact CG1-CB 4.34Å; V245-L279 HydrophobicContact CG1-CD1 4.13Å; V245-L280 HydrophobicContact CG2-CD2 4.37Å; V245-I298 HydrophobicContact CG2-CG2 4.12Å; V245-L299 PolarHBondContact N-O 2.95Å; V245-I300 WeakPolarHBondContact O-CA 3.49Å; V245-M301 PolarHBondContact O-N 2.86Å
246	S	98.6	Very high	97.3	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.07	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.3	-173.7	-177.7	0	0	0	0	111.3	N250 R266 V267 F268	S246-N250 PolarHBondContact OG-ND2 2.86Å; S246-R266 PolarHBondContact N-O 3.16Å; S246-V267 CarbonylContact O-C 3.56Å; S246-V267 VanDerWaalsContact O-CA 3.29Å; S246-V267 WeakPolarHBondContact O-CA 3.28Å; S246-F268 WeakPolarHBondContact O-CD1 3.35Å; S246-F268 PolarHBondContact O-N 3.27Å
247	D	98.6	Very high	97.3	Very high	2 Å²	2	33 Å²	33	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	151.8	160	-165.8	-78.5	0	0	0	109.4	L249 N250 F268 H270 N271 M301 V302 Y306	D247-L249 VanDerWaalsContact C-N 3.3Å; D247-L249 PolarHBondContact O-N 2.91Å; D247-L249 PolarHBondContact OD1-N 3.49Å; D247-N250 PolarHBondContact N-ND2 2.98Å; D247-F268 HydrophobicContact CB-CE1 4.05Å; D247-F268 HydrophobicContact CB-CE2 4.26Å; D247-F268 HydrophobicContact CB-CZ 3.75Å; D247-F268 WeakPolarHBondContact OD2-CE2 3.39Å; D247-H270 IonicContact OD1-CE1 2.78Å; D247-H270 IonicContact OD1-CG 2.7Å; D247-H270 IonicContact OD1-ND1 3.37Å; D247-H270 PolarHBondContact OD1-ND1 3.12Å; D247-H270 WeakPolarHBondContact OD2-CA 3.26Å; D247-H270 IonicContact OD2-ND1 3.89Å; D247-H270 PolarHBondContact OD2-ND1 3.32Å; D247-N271 PolarHBondContact OD2-N 3.49Å; D247-M301 PolarHBondContact N-O 3.35Å; D247-V302 HydrophobicContact CB-CG1 4.3Å; D247-Y306 HydrophobicContact CB-CE1 4.17Å
248	E	96.3	Very high	97.4	Very high	96 Å²	96	32.6 Å²	32.6	45%	0.449	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.8	-177.9	73.1	-166.3	160.7	0	0	113.9	V267 F268 K269 H270	E248-V267 VanDerWaalsContact CA-CG1 3.49Å; E248-V267 HydrophobicContact CB-CG1 3.47Å; E248-V267 VanDerWaalsContact CB-CG1 3.47Å; E248-F268 PolarHBondContact N-O 2.67Å; E248-F268 VanDerWaalsContact N-O 3.1Å; E248-K269 WeakPolarHBondContact OE1-CA 3.47Å; E248-H270 VanDerWaalsContact CD-N 3.34Å; E248-H270 HydrophobicContact CG-CB 3.98Å; E248-H270 PolarHBondContact OE1-N 2.99Å
249	L	95.3	Very high	97.4	Very high	63 Å²	63	40.8 Å²	40.8	33%	0.33	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	6.6	179.4	-55.4	-173.2	0	0	0	114.1	D247 H251 H270 Y306 E309	D247-L249 VanDerWaalsContact C-N 3.3Å; D247-L249 PolarHBondContact O-N 2.91Å; D247-L249 PolarHBondContact OD1-N 3.49Å; L249-H251 PolarHBondContact O-N 3.48Å; L249-H270 HydrophobicContact CD1-CB 3.98Å; L249-H270 VanDerWaalsContact CD1-CG 3.48Å; L249-H270 HydrophobicContact CG-CB 4.08Å; L249-Y306 HydrophobicContact CB-CD1 3.98Å; L249-Y306 HydrophobicContact CB-CE1 4.43Å; L249-E309 HydrophobicContact CD1-CG 3.7Å
250	N	97.1	Very high	97.4	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.217	C	C	.	.			trans	-55.2	132.9	178.2	-89	-16.7	0	0	0	112.8	S246 D247 L254 I255 M301 V302 E303	S246-N250 PolarHBondContact OG-ND2 2.86Å; D247-N250 PolarHBondContact N-ND2 2.98Å; N250-L254 HydrophobicContact CB-CB 4.34Å; N250-L254 HydrophobicContact CB-CD1 3.91Å; N250-I255 WeakPolarHBondContact O-CD1 3.15Å; N250-I255 WeakPolarHBondContact O-CG1 3.31Å; N250-M301 PolarHBondContact ND2-O 3.37Å; N250-V302 WeakPolarHBondContact OD1-CA 3.21Å; N250-E303 WeakPolarHBondContact CA-OE1 3.44Å; N250-E303 PolarHBondContact OD1-N 2.83Å
251	H	96.2	Very high	97.4	Very high	67 Å²	67	36.8 Å²	36.8	31%	0.31	19%	0.185	S	C	.	.			trans	-54.6	147.9	-176.9	-178.2	-107	0	0	0	114.1	F227 L249 S253 L254 I255 E303	F227-H251 AromaticContact CD2-CE1 3.96Å; L249-H251 PolarHBondContact O-N 3.48Å; H251-S253 PolarHBondContact ND1-N 3Å; H251-S253 PolarHBondContact ND1-OG 3.41Å; H251-S253 PolarHBondContact O-N 2.82Å; H251-L254 WeakPolarHBondContact O-CA 3.49Å; H251-L254 VanDerWaalsContact O-CB 3.32Å; H251-L254 WeakPolarHBondContact O-CB 3.26Å; H251-L254 PolarHBondContact O-N 3.18Å; H251-I255 PolarHBondContact O-N 3.41Å; H251-E303 VanDerWaalsContact CB-OE1 3.28Å; H251-E303 WeakPolarHBondContact CB-OE1 3.37Å; H251-E303 PolarHBondContact N-OE1 3.12Å
252	T	95.2	Very high	97.4	Very high	90 Å²	90	38.2 Å²	38.2	55%	0.552	20%	0.2	S	C	*	.	H	α-helix	trans	-52	-29.5	-175.6	-52.7	0	0	0	0	114.4	F227 I255 L256	F227-T252 HydrophobicContact CZ-CG2 4.47Å; T252-I255 PolarHBondContact O-N 2.9Å; T252-L256 WeakPolarHBondContact O-CB 3.28Å; T252-L256 PolarHBondContact O-N 2.95Å
253	S	96.9	Very high	97.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-70.5	-35.9	176	62.8	0	0	0	0	113.4	F227 N230 H251 G257	F227-S253 WeakPolarHBondContact O-CB 3.46Å; N230-S253 PolarHBondContact ND2-OG 2.79Å; H251-S253 PolarHBondContact ND1-N 3Å; H251-S253 PolarHBondContact ND1-OG 3.41Å; H251-S253 PolarHBondContact O-N 2.82Å; S253-G257 PolarHBondContact O-N 3.3Å; S253-G257 VanDerWaalsContact O-N 3.08Å
254	L	98	Very high	97.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-47.5	171.1	-64.9	171.1	0	0	0	110	N230 I234 N250 H251 L256 G257 A258 M301 E303 Y330 D332	N230-L254 HydrophobicContact CB-CD2 4.14Å; N230-L254 VanDerWaalsContact CG-CD2 3.47Å; N230-L254 VanDerWaalsContact ND2-CD2 3.33Å; N230-L254 WeakPolarHBondContact ND2-CD2 3.47Å; N230-L254 WeakPolarHBondContact ND2-CG 3.33Å; I234-L254 HydrophobicContact CD1-CD2 4.19Å; N250-L254 HydrophobicContact CB-CB 4.34Å; N250-L254 HydrophobicContact CB-CD1 3.91Å; H251-L254 WeakPolarHBondContact O-CA 3.49Å; H251-L254 VanDerWaalsContact O-CB 3.32Å; H251-L254 WeakPolarHBondContact O-CB 3.26Å; H251-L254 PolarHBondContact O-N 3.18Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.96Å; L254-G257 PolarHBondContact O-N 3.45Å; L254-A258 VanDerWaalsContact O-CB 3.29Å; L254-A258 WeakPolarHBondContact O-CB 3.15Å; L254-A258 PolarHBondContact O-N 2.92Å; L254-M301 HydrophobicContact CB-CE 3.8Å; L254-M301 HydrophobicContact CD2-CE 3.69Å; L254-M301 HydrophobicContact CG-CE 4.31Å; L254-E303 HydrophobicContact CD1-CG 4.21Å; L254-Y330 HydrophobicContact CD2-CD1 4.01Å; L254-Y330 HydrophobicContact CD2-CE1 3.73Å; L254-D332 HydrophobicContact CD1-CB 4.15Å; L254-D332 HydrophobicContact CD2-CB 4.33Å
255	I	97.3	Very high	97.3	Very high	59 Å²	59	44.2 Å²	44.2	30%	0.303	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-43.8	177.8	-63.6	177.3	0	0	0	111.1	N250 H251 T252 R259	N250-I255 WeakPolarHBondContact O-CD1 3.15Å; N250-I255 WeakPolarHBondContact O-CG1 3.31Å; H251-I255 PolarHBondContact O-N 3.41Å; T252-I255 PolarHBondContact O-N 2.9Å; I255-R259 VanDerWaalsContact O-CG 3.31Å; I255-R259 WeakPolarHBondContact O-CG 3.41Å; I255-R259 PolarHBondContact O-N 3.49Å
256	L	97.5	Very high	97.3	Very high	67 Å²	67	47.6 Å²	47.6	35%	0.351	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-47.3	179	-177.6	62.9	0	0	0	111.6	F227 T252 L254 A258 R259 L260	F227-L256 HydrophobicContact CE1-CD2 3.84Å; F227-L256 HydrophobicContact CZ-CD2 4.21Å; T252-L256 WeakPolarHBondContact O-CB 3.28Å; T252-L256 PolarHBondContact O-N 2.95Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.96Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 3.27Å; L256-R259 PolarHBondContact O-N 2.89Å; L256-L260 HydrophobicContact CD1-CD1 4.17Å; L256-L260 HydrophobicContact CD1-CG 4.18Å; L256-L260 HydrophobicContact CD2-CD1 4.49Å; L256-L260 HydrophobicContact CG-CD1 3.89Å; L256-L260 HydrophobicContact CG-CG 4.33Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 WeakPolarHBondContact O-CG 3.24Å; L256-L260 PolarHBondContact O-N 3.24Å
257	G	97.6	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-40	177.2	0	0	0	0	0	112.9	S231 S253 L254 L260 S261	S231-G257 WeakPolarHBondContact O-CA 3.37Å; S253-G257 PolarHBondContact O-N 3.3Å; S253-G257 VanDerWaalsContact O-N 3.08Å; L254-G257 PolarHBondContact O-N 3.45Å; G257-L260 PolarHBondContact O-N 2.99Å; G257-S261 PolarHBondContact O-N 3.25Å; G257-S261 VanDerWaalsContact O-N 3.09Å
258	A	97.9	Very high	97.2	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-45.4	173.5	0	0	0	0	0	111.7	I244 L254 L256 S261 I265 M301	I244-A258 HydrophobicContact CD1-CB 3.57Å; I244-A258 HydrophobicContact CG2-CB 4.36Å; L254-A258 VanDerWaalsContact O-CB 3.29Å; L254-A258 WeakPolarHBondContact O-CB 3.15Å; L254-A258 PolarHBondContact O-N 2.92Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 3.27Å; A258-S261 PolarHBondContact O-N 3.14Å; A258-S261 PolarHBondContact O-OG 3.2Å; A258-I265 HydrophobicContact CB-CD1 3.8Å; A258-I265 HydrophobicContact CB-CG1 4.33Å; A258-M301 HydrophobicContact CB-SD 4.4Å
259	R	97.6	Very high	97.3	Very high	181 Å²	181	52.7 Å²	52.7	68%	0.683	27%	0.274	S	S	*	.	H	α-helix	trans	-64.3	-45.8	176.5	-72.6	174.4	-176.5	-169.4	2.9	112.3	I255 L256 S261 G262 I265	I255-R259 VanDerWaalsContact O-CG 3.31Å; I255-R259 WeakPolarHBondContact O-CG 3.41Å; I255-R259 PolarHBondContact O-N 3.49Å; L256-R259 PolarHBondContact O-N 2.89Å; R259-S261 PolarHBondContact O-N 3.33Å; R259-G262 PolarHBondContact O-N 3.34Å; R259-I265 HydrophobicContact CG-CD1 4.07Å
260	L	96.9	Very high	97.4	Very high	94 Å²	94	51.1 Å²	51.1	49%	0.492	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-26.5	179.9	-71.4	173.4	0	0	0	113.2	M232 P235 L256 G257 G262	M232-L260 HydrophobicContact CE-CD1 3.49Å; M232-L260 VanDerWaalsContact CE-CD1 3.49Å; P235-L260 HydrophobicContact CG-CB 3.73Å; L256-L260 HydrophobicContact CD1-CD1 4.17Å; L256-L260 HydrophobicContact CD1-CG 4.18Å; L256-L260 HydrophobicContact CD2-CD1 4.49Å; L256-L260 HydrophobicContact CG-CD1 3.89Å; L256-L260 HydrophobicContact CG-CG 4.33Å; L256-L260 WeakPolarHBondContact O-CB 3.46Å; L256-L260 WeakPolarHBondContact O-CG 3.24Å; L256-L260 PolarHBondContact O-N 3.24Å; G257-L260 PolarHBondContact O-N 2.99Å; L260-G262 VanDerWaalsContact C-N 3.28Å; L260-G262 PolarHBondContact O-N 2.85Å
261	S	97	Very high	97.2	Very high	15 Å²	15	51.4 Å²	51.4	11%	0.105	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.9	177.6	77.6	0	0	0	0	114.5	V238 G239 G257 A258 R259 A263	V238-S261 WeakPolarHBondContact O-CB 3.42Å; G239-S261 WeakPolarHBondContact CA-O 3.44Å; G257-S261 PolarHBondContact O-N 3.25Å; G257-S261 VanDerWaalsContact O-N 3.09Å; A258-S261 PolarHBondContact O-N 3.14Å; A258-S261 PolarHBondContact O-OG 3.2Å; R259-S261 PolarHBondContact O-N 3.33Å; S261-A263 PolarHBondContact O-N 2.74Å; S261-A263 VanDerWaalsContact OG-CB 3.28Å; S261-A263 WeakPolarHBondContact OG-CB 3.45Å; S261-A263 PolarHBondContact OG-N 3.28Å
262	G	96.6	Very high	97.3	Very high	41 Å²	41	51.3 Å²	51.3	42%	0.423	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	17.3	-169.2	0	0	0	0	0	114.4	R259 L260	R259-G262 PolarHBondContact O-N 3.34Å; L260-G262 VanDerWaalsContact C-N 3.28Å; L260-G262 PolarHBondContact O-N 2.85Å
263	A	97.8	Very high	97.4	Very high	14 Å²	14	47.8 Å²	47.8	12%	0.116	25%	0.245	C	C	.	.			trans	-69.3	161.9	165	0	0	0	0	0	111	G239 C242 I244 S261	G239-A263 WeakPolarHBondContact O-CA 3.18Å; C242-A263 HydrophobicContact CB-CB 4.24Å; I244-A263 HydrophobicContact CD1-CB 3.96Å; I244-A263 HydrophobicContact CG1-CB 4.05Å; S261-A263 PolarHBondContact O-N 2.74Å; S261-A263 VanDerWaalsContact OG-CB 3.28Å; S261-A263 WeakPolarHBondContact OG-CB 3.45Å; S261-A263 PolarHBondContact OG-N 3.28Å
264	T	97.9	Very high	97.5	Very high	52 Å²	52	54.6 Å²	54.6	32%	0.319	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.8	166	-59.1	0	0	0	0	108.6	C242 L243 I244 W295	C242-T264 PolarHBondContact O-N 3.17Å; L243-T264 CarbonylContact C-O 3.49Å; L243-T264 WeakPolarHBondContact CA-O 3.32Å; L243-T264 HydrophobicContact CD1-CG2 4.12Å; I244-T264 PolarHBondContact N-O 3.34Å; T264-W295 HydrophobicContact CG2-CH2 3.88Å
265	I	98.3	Very high	97.5	Very high	68 Å²	68	55.9 Å²	55.9	35%	0.349	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134	176	-52.2	171.1	0	0	0	108.6	I244 A258 R259	I244-I265 HydrophobicContact CB-CG1 4.37Å; I244-I265 HydrophobicContact CD1-CG1 4.5Å; I244-I265 HydrophobicContact CG2-CG2 4.34Å; A258-I265 HydrophobicContact CB-CD1 3.8Å; A258-I265 HydrophobicContact CB-CG1 4.33Å; R259-I265 HydrophobicContact CG-CD1 4.07Å
266	R	98.1	Very high	97.6	Very high	70 Å²	70	53 Å²	53	26%	0.264	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.6	164.2	-66.5	178.5	170.3	-146	-0.3	108.7	L243 I244 V245 S246 L279 E282	L243-R266 HydrophobicContact CD1-CB 4.22Å; L243-R266 HydrophobicContact CD1-CG 3.81Å; I244-R266 PolarHBondContact O-N 3.28Å; V245-R266 WeakPolarHBondContact CA-O 3.34Å; S246-R266 PolarHBondContact N-O 3.16Å; R266-L279 HydrophobicContact CB-CD1 4.07Å; R266-E282 IonicContact CZ-OE2 2.7Å; R266-E282 IonicContact NH1-OE2 2.73Å; R266-E282 PolarHBondContact NH1-OE2 2.79Å
267	V	98.4	Very high	97.6	Very high	84 Å²	84	51.6 Å²	51.6	51%	0.509	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.2	-178.2	179	0	0	0	0	109.7	S246 E248 L279	S246-V267 CarbonylContact O-C 3.56Å; S246-V267 VanDerWaalsContact O-CA 3.29Å; S246-V267 WeakPolarHBondContact O-CA 3.28Å; E248-V267 VanDerWaalsContact CA-CG1 3.49Å; E248-V267 HydrophobicContact CB-CG1 3.47Å; E248-V267 VanDerWaalsContact CB-CG1 3.47Å; V267-L279 WeakPolarHBondContact O-CD1 3.45Å
268	F	98.5	Very high	97.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	153.7	170.6	72	-85.4	0	0	0	111.1	V245 S246 D247 E248 M273 L276 L279 V302	V245-F268 HydrophobicContact CG1-CD1 3.7Å; V245-F268 HydrophobicContact CG1-CE1 4.3Å; S246-F268 WeakPolarHBondContact O-CD1 3.35Å; S246-F268 PolarHBondContact O-N 3.27Å; D247-F268 HydrophobicContact CB-CE1 4.05Å; D247-F268 HydrophobicContact CB-CE2 4.26Å; D247-F268 HydrophobicContact CB-CZ 3.75Å; D247-F268 WeakPolarHBondContact OD2-CE2 3.39Å; E248-F268 PolarHBondContact N-O 2.67Å; E248-F268 VanDerWaalsContact N-O 3.1Å; F268-M273 HydrophobicContact CE2-CE 4.45Å; F268-L276 HydrophobicContact CD1-CD1 3.95Å; F268-L276 HydrophobicContact CD2-CB 3.87Å; F268-L276 HydrophobicContact CE1-CD1 3.96Å; F268-L276 HydrophobicContact CE2-CB 4.18Å; F268-L276 HydrophobicContact CE2-CD2 4.43Å; F268-L276 HydrophobicContact CG-CB 4.09Å; F268-L276 HydrophobicContact CG-CD1 4.32Å; F268-L276 HydrophobicContact CZ-CD1 4.38Å; F268-L276 HydrophobicContact CZ-CD2 4.31Å; F268-L279 HydrophobicContact CB-CD1 3.9Å; F268-V302 HydrophobicContact CE1-CG1 4.48Å; F268-V302 HydrophobicContact CZ-CG1 3.88Å
269	K	97.8	Very high	97.7	Very high	130 Å²	130	58.1 Å²	58.1	57%	0.565	29%	0.291	S	S	*	.			trans	-63.2	146.8	-179.6	-68.3	-167.8	173.2	-164.7	0	112.3	E248 N271 N272 S275	E248-K269 WeakPolarHBondContact OE1-CA 3.47Å; K269-N271 PolarHBondContact O-N 3.45Å; K269-N272 HydrophobicContact CB-CB 3.83Å; K269-N272 WeakPolarHBondContact O-CB 3.3Å; K269-N272 PolarHBondContact O-N 3.15Å; K269-S275 PolarHBondContact N-OG 3.03Å; K269-S275 VanDerWaalsContact N-OG 3.16Å
270	H	96.3	Very high	97.7	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.139	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125.7	-170.4	-175.8	53.9	0	0	0	112.8	D247 E248 L249 N272 Y306 S311	D247-H270 IonicContact OD1-CE1 2.78Å; D247-H270 IonicContact OD1-CG 2.7Å; D247-H270 IonicContact OD1-ND1 3.37Å; D247-H270 PolarHBondContact OD1-ND1 3.12Å; D247-H270 WeakPolarHBondContact OD2-CA 3.26Å; D247-H270 IonicContact OD2-ND1 3.89Å; D247-H270 PolarHBondContact OD2-ND1 3.32Å; E248-H270 VanDerWaalsContact CD-N 3.34Å; E248-H270 HydrophobicContact CG-CB 3.98Å; E248-H270 PolarHBondContact OE1-N 2.99Å; L249-H270 HydrophobicContact CD1-CB 3.98Å; L249-H270 VanDerWaalsContact CD1-CG 3.48Å; L249-H270 HydrophobicContact CG-CB 4.08Å; H270-N272 PolarHBondContact O-N 3.34Å; H270-Y306 AromaticContact CE1-CD1 3.66Å; H270-Y306 AromaticContact CE1-CD2 3.52Å; H270-Y306 AromaticContact CE1-CE1 3.79Å; H270-Y306 AromaticContact CE1-CE2 3.67Å; H270-Y306 AromaticContact CE1-CG 3.52Å; H270-Y306 AromaticContact CE1-CZ 3.82Å; H270-S311 PolarHBondContact CE1-OG 3.18Å; H270-S311 PolarHBondContact NE2-OG 2.97Å
271	N	94.6	Very high	97.8	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.053	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	19.3	179.4	-141.1	3.1	0	0	0	114.1	D49 D247 K269 V312 R314	D49-N271 PolarHBondContact OD2-ND2 3.47Å; D247-N271 PolarHBondContact OD2-N 3.49Å; K269-N271 PolarHBondContact O-N 3.45Å; N271-V312 PolarHBondContact ND2-O 3.36Å; N271-R314 WeakPolarHBondContact OD1-CG 3.37Å; N271-R314 PolarHBondContact OD1-N 3.04Å
272	N	97.3	Very high	97.8	Very high	64 Å²	64	53.5 Å²	53.5	34%	0.342	27%	0.268	S	S	.	.			trans	-100.5	96	-167.9	-167.2	-61.3	0	0	0	112.3	K269 H270 H274 S275 L276	K269-N272 HydrophobicContact CB-CB 3.83Å; K269-N272 WeakPolarHBondContact O-CB 3.3Å; K269-N272 PolarHBondContact O-N 3.15Å; H270-N272 PolarHBondContact O-N 3.34Å; N272-H274 VanDerWaalsContact C-N 3.26Å; N272-H274 PolarHBondContact O-N 3.37Å; N272-H274 PolarHBondContact OD1-N 2.99Å; N272-S275 WeakPolarHBondContact O-CB 3.28Å; N272-S275 PolarHBondContact O-N 3.16Å; N272-S275 PolarHBondContact OD1-N 2.62Å; N272-L276 PolarHBondContact O-N 3.18Å
273	M	97.9	Very high	97.8	Very high	17 Å²	17	51.6 Å²	51.6	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-27.3	-175.1	-60.6	-57.8	103.8	0	0	114.1	F268 L276 E277 R314 E317 I318 L321	F268-M273 HydrophobicContact CE2-CE 4.45Å; M273-L276 HydrophobicContact CE-CD2 4.2Å; M273-L276 HydrophobicContact SD-CD2 4.06Å; M273-E277 WeakPolarHBondContact O-CB 3.14Å; M273-E277 PolarHBondContact O-N 3.28Å; M273-R314 HydrophobicContact CE-CB 4.43Å; M273-E317 HydrophobicContact CG-CB 3.77Å; M273-E317 HydrophobicContact SD-CB 3.85Å; M273-I318 HydrophobicContact CE-CD1 3.95Å; M273-I318 HydrophobicContact CE-CG1 3.67Å; M273-I318 HydrophobicContact SD-CD1 4.42Å; M273-I318 HydrophobicContact SD-CG1 3.49Å; M273-I318 WeakPolarHBondContact SD-CG1 3.17Å; M273-L321 HydrophobicContact CB-CD1 4.24Å; M273-L321 HydrophobicContact SD-CD1 4.2Å
274	H	98.1	Very high	97.7	Very high	145 Å²	145	54.9 Å²	54.9	67%	0.671	27%	0.266	S	S	*	.	H	α-helix	trans	-71	-40.4	173.8	-177.7	78.2	0	0	0	111.9	N272 L276 K278	N272-H274 VanDerWaalsContact C-N 3.26Å; N272-H274 PolarHBondContact O-N 3.37Å; N272-H274 PolarHBondContact OD1-N 2.99Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-K278 WeakPolarHBondContact O-CB 3.43Å; H274-K278 PolarHBondContact O-N 3.02Å
275	S	98.4	Very high	97.6	Very high	27 Å²	27	57.4 Å²	57.4	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-41.1	173.1	-166.6	0	0	0	0	111.3	K269 N272 L279	K269-S275 PolarHBondContact N-OG 3.03Å; K269-S275 VanDerWaalsContact N-OG 3.16Å; N272-S275 WeakPolarHBondContact O-CB 3.28Å; N272-S275 PolarHBondContact O-N 3.16Å; N272-S275 PolarHBondContact OD1-N 2.62Å; S275-L279 WeakPolarHBondContact O-CG 3.41Å; S275-L279 PolarHBondContact O-N 2.68Å
276	L	98.7	Very high	97.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-51.6	175.9	177.6	55.8	0	0	0	111.7	V245 F268 N272 M273 H274 K278 L279 L280 I300 I318 L321	V245-L276 HydrophobicContact CB-CD1 4.48Å; V245-L276 HydrophobicContact CG1-CD1 3.54Å; F268-L276 HydrophobicContact CD1-CD1 3.95Å; F268-L276 HydrophobicContact CD2-CB 3.87Å; F268-L276 HydrophobicContact CE1-CD1 3.96Å; F268-L276 HydrophobicContact CE2-CB 4.18Å; F268-L276 HydrophobicContact CE2-CD2 4.43Å; F268-L276 HydrophobicContact CG-CB 4.09Å; F268-L276 HydrophobicContact CG-CD1 4.32Å; F268-L276 HydrophobicContact CZ-CD1 4.38Å; F268-L276 HydrophobicContact CZ-CD2 4.31Å; N272-L276 PolarHBondContact O-N 3.18Å; M273-L276 HydrophobicContact CE-CD2 4.2Å; M273-L276 HydrophobicContact SD-CD2 4.06Å; H274-L276 VanDerWaalsContact C-N 3.34Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-K278 PolarHBondContact O-N 2.95Å; L276-L279 PolarHBondContact O-N 2.91Å; L276-L280 HydrophobicContact CD1-CD1 3.93Å; L276-L280 HydrophobicContact CD1-CG 4.07Å; L276-L280 HydrophobicContact CG-CD1 3.95Å; L276-L280 WeakPolarHBondContact O-CG 3.25Å; L276-L280 PolarHBondContact O-N 3.28Å; L276-I300 HydrophobicContact CD1-CD1 4.36Å; L276-I300 HydrophobicContact CD1-CG1 4.31Å; L276-I300 HydrophobicContact CD1-CG2 4.15Å; L276-I300 HydrophobicContact CD2-CG2 4.36Å; L276-I318 HydrophobicContact CD2-CD1 4.47Å; L276-I318 HydrophobicContact CD2-CG1 3.98Å; L276-I318 HydrophobicContact CD2-CG2 4.39Å; L276-L321 HydrophobicContact CB-CD1 4.31Å; L276-L321 HydrophobicContact CD2-CD1 3.92Å; L276-L321 HydrophobicContact CG-CD1 3.99Å
277	E	98.6	Very high	97.2	Very high	37 Å²	37	54.2 Å²	54.2	17%	0.173	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-41.7	178.6	176.5	164.4	-173	0	0	112	M273 L279 L280 R281 L321 K324 Y325	M273-E277 WeakPolarHBondContact O-CB 3.14Å; M273-E277 PolarHBondContact O-N 3.28Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 3Å; E277-L280 PolarHBondContact O-N 3.24Å; E277-R281 VanDerWaalsContact O-CB 3.25Å; E277-R281 WeakPolarHBondContact O-CB 3.27Å; E277-R281 PolarHBondContact O-N 2.81Å; E277-R281 IonicContact OE1-CZ 2.77Å; E277-R281 IonicContact OE1-NE 2.66Å; E277-R281 IonicContact OE1-NH2 3.52Å; E277-R281 PolarHBondContact OE1-NH2 2.94Å; E277-L321 HydrophobicContact CB-CD1 4.22Å; E277-L321 HydrophobicContact CB-CD2 3.8Å; E277-L321 HydrophobicContact CG-CD2 4.05Å; E277-K324 IonicContact OE1-NZ 2.67Å; E277-K324 PolarHBondContact OE1-NZ 3.02Å; E277-K324 IonicContact OE2-NZ 2.64Å; E277-Y325 HydrophobicContact CG-CE2 3.85Å; E277-Y325 PolarHBondContact OE1-OH 2.84Å
278	K	98.6	Very high	97	Very high	117 Å²	117	52.2 Å²	52.2	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-48.9	177.3	177.8	175.7	171	177.9	0	111.3	H274 L276 R281 E282	H274-K278 WeakPolarHBondContact O-CB 3.43Å; H274-K278 PolarHBondContact O-N 3.02Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-K278 PolarHBondContact O-N 2.95Å; K278-R281 PolarHBondContact O-N 3.05Å; K278-E282 WeakPolarHBondContact CE-OE1 3.34Å; K278-E282 IonicContact NZ-OE1 2.65Å; K278-E282 WeakPolarHBondContact O-CG 3.32Å; K278-E282 PolarHBondContact O-N 3.16Å
279	L	98.3	Very high	96.6	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.12	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-38.3	-179.2	-63.4	-177.3	0	0	0	112.8	V245 R266 V267 F268 S275 L276 E277 A283	V245-L279 HydrophobicContact CG1-CB 4.34Å; V245-L279 HydrophobicContact CG1-CD1 4.13Å; R266-L279 HydrophobicContact CB-CD1 4.07Å; V267-L279 WeakPolarHBondContact O-CD1 3.45Å; F268-L279 HydrophobicContact CB-CD1 3.9Å; S275-L279 WeakPolarHBondContact O-CG 3.41Å; S275-L279 PolarHBondContact O-N 2.68Å; L276-L279 PolarHBondContact O-N 2.91Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 3Å; L279-A283 VanDerWaalsContact O-CB 3.25Å; L279-A283 WeakPolarHBondContact O-CB 3.24Å; L279-A283 PolarHBondContact O-N 3.32Å
280	L	98.6	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-42.4	175.2	-68.5	172.5	0	0	0	111.4	V245 L276 E277 A283 V284 I298 I300 L321 Y325 A327	V245-L280 HydrophobicContact CG2-CD2 4.37Å; L276-L280 HydrophobicContact CD1-CD1 3.93Å; L276-L280 HydrophobicContact CD1-CG 4.07Å; L276-L280 HydrophobicContact CG-CD1 3.95Å; L276-L280 WeakPolarHBondContact O-CG 3.25Å; L276-L280 PolarHBondContact O-N 3.28Å; E277-L280 PolarHBondContact O-N 3.24Å; L280-A283 PolarHBondContact O-N 3.46Å; L280-V284 WeakPolarHBondContact O-CG2 3.33Å; L280-V284 PolarHBondContact O-N 3.14Å; L280-I298 HydrophobicContact CD2-CG2 3.82Å; L280-I300 HydrophobicContact CD1-CD1 3.98Å; L280-I300 HydrophobicContact CD2-CD1 4.23Å; L280-I300 HydrophobicContact CD2-CG1 4.13Å; L280-L321 HydrophobicContact CD1-CB 3.95Å; L280-Y325 HydrophobicContact CB-CD1 4.21Å; L280-Y325 HydrophobicContact CB-CD2 3.79Å; L280-Y325 HydrophobicContact CB-CE2 4.32Å; L280-Y325 HydrophobicContact CB-CG 3.73Å; L280-Y325 HydrophobicContact CD1-CD2 3.97Å; L280-Y325 HydrophobicContact CD1-CG 4.42Å; L280-A327 HydrophobicContact CD2-CB 4.24Å
281	R	98.1	Very high	96	Very high	130 Å²	130	63.1 Å²	63.1	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-48.2	176.7	-167.5	-175.2	-61.3	-166.5	1.2	111.7	E277 K278 A283 V284 C285 Y325	E277-R281 VanDerWaalsContact O-CB 3.25Å; E277-R281 WeakPolarHBondContact O-CB 3.27Å; E277-R281 PolarHBondContact O-N 2.81Å; E277-R281 IonicContact OE1-CZ 2.77Å; E277-R281 IonicContact OE1-NE 2.66Å; E277-R281 IonicContact OE1-NH2 3.52Å; E277-R281 PolarHBondContact OE1-NH2 2.94Å; K278-R281 PolarHBondContact O-N 3.05Å; R281-A283 VanDerWaalsContact C-N 3.31Å; R281-A283 PolarHBondContact O-N 3.02Å; R281-V284 PolarHBondContact O-N 3.25Å; R281-C285 WeakPolarHBondContact O-CB 3.18Å; R281-C285 PolarHBondContact O-N 3.41Å; R281-C285 PolarHBondContact O-SG 3.02Å; R281-C285 VanDerWaalsContact O-SG 3.33Å; R281-Y325 HydrophobicContact CB-CE1 3.99Å; R281-Y325 HydrophobicContact CG-CE1 4.31Å; R281-Y325 PolarHBondContact NE-OH 3.47Å
282	E	96.9	Very high	95.9	Very high	63 Å²	63	69.2 Å²	69.2	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-58.3	-42.2	173.6	-76.1	177.5	-158.3	0	0	112.1	R266 K278 C285 S286	R266-E282 IonicContact CZ-OE2 2.7Å; R266-E282 IonicContact NH1-OE2 2.73Å; R266-E282 PolarHBondContact NH1-OE2 2.79Å; K278-E282 WeakPolarHBondContact CE-OE1 3.34Å; K278-E282 IonicContact NZ-OE1 2.65Å; K278-E282 WeakPolarHBondContact O-CG 3.32Å; K278-E282 PolarHBondContact O-N 3.16Å; E282-C285 PolarHBondContact O-N 2.73Å; E282-S286 VanDerWaalsContact O-CB 3.26Å; E282-S286 WeakPolarHBondContact O-CB 3.04Å; E282-S286 PolarHBondContact O-N 2.67Å; E282-S286 PolarHBondContact O-OG 3.16Å
283	A	96.8	Very high	95.8	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-43.6	-179.7	0	0	0	0	0	112.4	L243 L279 L280 R281 G287 W295 I298	L243-A283 HydrophobicContact CD2-CB 3.31Å; L279-A283 VanDerWaalsContact O-CB 3.25Å; L279-A283 WeakPolarHBondContact O-CB 3.24Å; L279-A283 PolarHBondContact O-N 3.32Å; L280-A283 PolarHBondContact O-N 3.46Å; R281-A283 VanDerWaalsContact C-N 3.31Å; R281-A283 PolarHBondContact O-N 3.02Å; A283-G287 WeakPolarHBondContact O-CA 3.2Å; A283-G287 PolarHBondContact O-N 2.93Å; A283-G287 VanDerWaalsContact O-N 3.13Å; A283-W295 PolarHBondContact O-NE1 3.12Å; A283-W295 VanDerWaalsContact O-NE1 3.09Å; A283-I298 HydrophobicContact CB-CD1 3.84Å
284	V	96.1	Very high	95.8	Very high	83 Å²	83	79 Å²	79	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-71.9	-40.5	178.4	172.5	0	0	0	0	111.8	L280 R281 I298 Y325	L280-V284 WeakPolarHBondContact O-CG2 3.33Å; L280-V284 PolarHBondContact O-N 3.14Å; R281-V284 PolarHBondContact O-N 3.25Å; V284-I298 HydrophobicContact CG2-CD1 4.05Å; V284-Y325 HydrophobicContact CG2-CD1 4.1Å
285	C	95.1	Very high	95.8	Very high	105 Å²	105	73.4 Å²	73.4	71%	0.709	37%	0.366	S	S	*	.	H	α-helix	trans	-78.6	-35.2	-177.7	-66.6	0	0	0	0	114.1	R281 E282	R281-C285 WeakPolarHBondContact O-CB 3.18Å; R281-C285 PolarHBondContact O-N 3.41Å; R281-C285 PolarHBondContact O-SG 3.02Å; R281-C285 VanDerWaalsContact O-SG 3.33Å; E282-C285 PolarHBondContact O-N 2.73Å
286	S	94.1	Very high	95.7	Very high	62 Å²	62	79.5 Å²	79.5	43%	0.434	39%	0.389	S	S	.	.	H	α-helix	trans	-105.1	-14.1	-173	-54.8	0	0	0	0	114.5	E282 H292	E282-S286 VanDerWaalsContact O-CB 3.26Å; E282-S286 WeakPolarHBondContact O-CB 3.04Å; E282-S286 PolarHBondContact O-N 2.67Å; E282-S286 PolarHBondContact O-OG 3.16Å; S286-H292 PolarHBondContact O-ND1 2.92Å
287	G	94.1	Very high	95.7	Very high	8 Å²	8	83 Å²	83	8%	0.082	40%	0.404	C	S	.	.			trans	65.6	-156.4	-179.3	0	0	0	0	0	114.2	A283 R293 W295	A283-G287 WeakPolarHBondContact O-CA 3.2Å; A283-G287 PolarHBondContact O-N 2.93Å; A283-G287 VanDerWaalsContact O-N 3.13Å; G287-R293 CarbonylContact C-O 3.58Å; G287-R293 WeakPolarHBondContact CA-O 3.47Å; G287-W295 VanDerWaalsContact C-NE1 3.31Å; G287-W295 WeakPolarHBondContact O-CZ2 3.33Å; G287-W295 PolarHBondContact O-NE1 2.89Å; G287-W295 VanDerWaalsContact O-NE1 3.15Å
288	Q	94.6	Very high	95.7	Very high	42 Å²	42	82 Å²	82	20%	0.196	40%	0.4	C	S	.	.	S	Bend	trans	-68.9	138.7	178.3	-72.4	177	63.9	0	0	111.6	T291 H292 R293 P294 W295	Q288-T291 WeakPolarHBondContact CB-OG1 3.43Å; Q288-T291 PolarHBondContact O-N 3.34Å; Q288-H292 WeakPolarHBondContact O-CA 3.33Å; Q288-H292 PolarHBondContact O-N 3.46Å; Q288-R293 WeakPolarHBondContact CB-O 3.38Å; Q288-R293 WeakPolarHBondContact CG-O 3.2Å; Q288-R293 PolarHBondContact N-O 3.15Å; Q288-P294 PolarHBondContact NE2-O 3.36Å; Q288-W295 HydrophobicContact CG-CD2 3.81Å; Q288-W295 HydrophobicContact CG-CE3 3.56Å; Q288-W295 HydrophobicContact CG-CG 4.46Å; Q288-W295 HydrophobicContact CG-CH2 4.26Å; Q288-W295 HydrophobicContact CG-CZ2 4.46Å; Q288-W295 HydrophobicContact CG-CZ3 3.81Å
289	P	90.4	Very high	95.7	Very high	70 Å²	70	76.7 Å²	76.7	46%	0.455	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	141.9	176	-27.7	34.2	0	0	0	113.1	T291 W295	P289-T291 PolarHBondContact O-N 2.92Å; P289-W295 VanDerWaalsContact CD-CH2 3.41Å; P289-W295 HydrophobicContact CG-CH2 4.34Å
290	R	89.4	Confident	95.7	Very high	246 Å²	246	75.6 Å²	75.6	93%	0.928	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-26	178.4	-45.6	177.5	81.3	141.9	2.6	116.1
291	T	92.1	Very high	95.7	Very high	75 Å²	75	75.6 Å²	75.6	46%	0.46	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-18.4	-176.1	64.9	0	0	0	0	113.9	Q288 P289 R293	Q288-T291 WeakPolarHBondContact CB-OG1 3.43Å; Q288-T291 PolarHBondContact O-N 3.34Å; P289-T291 PolarHBondContact O-N 2.92Å; T291-R293 PolarHBondContact O-N 3.4Å
292	H	92.8	Very high	95.8	Very high	139 Å²	139	69.5 Å²	69.5	64%	0.644	35%	0.348	S	S	*	.			trans	54.2	11.9	-176.6	-62.6	-69.4	0	0	0	115.6	S286 Q288	S286-H292 PolarHBondContact O-ND1 2.92Å; Q288-H292 WeakPolarHBondContact O-CA 3.33Å; Q288-H292 PolarHBondContact O-N 3.46Å
293	R	95.1	Very high	95.8	Very high	173 Å²	173	66.6 Å²	66.6	65%	0.653	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-68.2	145	175.9	-67.3	179.7	177.3	-172.7	-2.1	110.2	G287 Q288 T291	G287-R293 CarbonylContact C-O 3.58Å; G287-R293 WeakPolarHBondContact CA-O 3.47Å; Q288-R293 WeakPolarHBondContact CB-O 3.38Å; Q288-R293 WeakPolarHBondContact CG-O 3.2Å; Q288-R293 PolarHBondContact N-O 3.15Å; T291-R293 PolarHBondContact O-N 3.4Å
294	P	96.6	Very high	95.9	Very high	112 Å²	112	66.6 Å²	66.6	73%	0.727	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-52.8	148	172	-27.1	35.3	0	0	0	112.5	Q288	Q288-P294 PolarHBondContact NE2-O 3.36Å
295	W	97.9	Very high	96	Very high	28 Å²	28	62.6 Å²	62.6	11%	0.106	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-70	138.9	173.9	-64.1	98.9	0	0	0	110.7	C242 L243 T264 A283 G287 Q288 P289 I298	C242-W295 VanDerWaalsContact C-CE3 3.41Å; C242-W295 WeakPolarHBondContact O-CZ3 3.22Å; L243-W295 HydrophobicContact CB-CD2 3.66Å; L243-W295 HydrophobicContact CB-CE3 3.61Å; L243-W295 HydrophobicContact CB-CG 4.24Å; L243-W295 HydrophobicContact CB-CH2 4.1Å; L243-W295 HydrophobicContact CB-CZ2 4.16Å; L243-W295 HydrophobicContact CB-CZ3 3.83Å; L243-W295 HydrophobicContact CD1-CH2 4.26Å; L243-W295 HydrophobicContact CD1-CZ2 4.35Å; L243-W295 HydrophobicContact CD2-CZ2 4.3Å; T264-W295 HydrophobicContact CG2-CH2 3.88Å; A283-W295 PolarHBondContact O-NE1 3.12Å; A283-W295 VanDerWaalsContact O-NE1 3.09Å; G287-W295 VanDerWaalsContact C-NE1 3.31Å; G287-W295 WeakPolarHBondContact O-CZ2 3.33Å; G287-W295 PolarHBondContact O-NE1 2.89Å; G287-W295 VanDerWaalsContact O-NE1 3.15Å; Q288-W295 HydrophobicContact CG-CD2 3.81Å; Q288-W295 HydrophobicContact CG-CE3 3.56Å; Q288-W295 HydrophobicContact CG-CG 4.46Å; Q288-W295 HydrophobicContact CG-CH2 4.26Å; Q288-W295 HydrophobicContact CG-CZ2 4.46Å; Q288-W295 HydrophobicContact CG-CZ3 3.81Å; P289-W295 VanDerWaalsContact CD-CH2 3.41Å; P289-W295 HydrophobicContact CG-CH2 4.34Å; W295-I298 HydrophobicContact CB-CD1 4.41Å; W295-I298 HydrophobicContact CB-CG1 3.83Å; W295-I298 HydrophobicContact CG-CD1 4.43Å; W295-I298 HydrophobicContact CG-CG1 4.09Å
296	K	97.4	Very high	96.1	Very high	155 Å²	155	57.7 Å²	57.7	67%	0.674	28%	0.277	S	S	*	.	S	Bend	trans	-64.9	-40.7	175.3	-68.7	178	178.7	171.2	0	112.2	K240 G241	K240-K296 PolarHBondContact O-NZ 3.45Å; G241-K296 PolarHBondContact O-N 2.87Å
297	K	98.1	Very high	96	Very high	75 Å²	75	55.1 Å²	55.1	33%	0.326	26%	0.259	S	S	.	.			trans	-147.9	147.6	171.9	-58.9	-174.1	-174.7	176.2	0	108.1	L237 V238 C242 L243 Y328	L237-K297 WeakPolarHBondContact O-CD 3.44Å; L237-K297 PolarHBondContact O-NZ 2.87Å; V238-K297 HydrophobicContact CG1-CB 4.35Å; V238-K297 HydrophobicContact CG1-CD 4.25Å; C242-K297 WeakPolarHBondContact CA-O 3.15Å; C242-K297 HydrophobicContact CB-CB 4.32Å; L243-K297 PolarHBondContact N-O 3.28Å; K297-Y328 HydrophobicContact CB-CD2 4.1Å; K297-Y328 HydrophobicContact CB-CE2 4.03Å; K297-Y328 HydrophobicContact CD-CD2 4.42Å; K297-Y328 HydrophobicContact CD-CE2 4.11Å; K297-Y328 HydrophobicContact CG-CD2 4.37Å; K297-Y328 HydrophobicContact CG-CE2 3.88Å
298	I	98.6	Very high	95.9	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.077	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.2	163.6	-58.1	174.8	0	0	0	106.2	L243 V245 L280 A283 V284 W295 A327 Y328	L243-I298 HydrophobicContact CB-CG1 4.35Å; L243-I298 HydrophobicContact CD2-CG1 4.5Å; L243-I298 HydrophobicContact CD2-CG2 4.17Å; L243-I298 HydrophobicContact CG-CG2 4.46Å; L243-I298 CarbonylContact O-C 3.6Å; L243-I298 WeakPolarHBondContact O-CA 3.28Å; V245-I298 HydrophobicContact CG2-CG2 4.12Å; L280-I298 HydrophobicContact CD2-CG2 3.82Å; A283-I298 HydrophobicContact CB-CD1 3.84Å; V284-I298 HydrophobicContact CG2-CD1 4.05Å; W295-I298 HydrophobicContact CB-CD1 4.41Å; W295-I298 HydrophobicContact CB-CG1 3.83Å; W295-I298 HydrophobicContact CG-CD1 4.43Å; W295-I298 HydrophobicContact CG-CG1 4.09Å; I298-A327 HydrophobicContact CB-CB 4.22Å; I298-A327 HydrophobicContact CG2-CB 4.13Å; I298-Y328 PolarHBondContact O-N 3.22Å
299	L	98.8	Very high	95.8	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.9	-178.6	-176.6	67	0	0	0	109.7	V238 L243 I244 V245 M301	V238-L299 HydrophobicContact CG1-CB 4.08Å; V238-L299 HydrophobicContact CG1-CD2 3.99Å; V238-L299 HydrophobicContact CG2-CD2 4.18Å; L243-L299 PolarHBondContact O-N 2.98Å; I244-L299 CarbonylContact C-O 3.55Å; I244-L299 WeakPolarHBondContact CA-O 3.45Å; V245-L299 PolarHBondContact N-O 2.95Å; L299-M301 HydrophobicContact CD2-CG 4.05Å; L299-M301 HydrophobicContact CD2-SD 4.2Å; L299-M301 HydrophobicContact CG-CG 4.04Å
300	I	98.9	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.5	167.9	-53.8	170.6	0	0	0	107.4	V245 L276 L280 I318 K322 A327 Y328 L329 Y330	V245-I300 WeakPolarHBondContact O-CA 3.49Å; L276-I300 HydrophobicContact CD1-CD1 4.36Å; L276-I300 HydrophobicContact CD1-CG1 4.31Å; L276-I300 HydrophobicContact CD1-CG2 4.15Å; L276-I300 HydrophobicContact CD2-CG2 4.36Å; L280-I300 HydrophobicContact CD1-CD1 3.98Å; L280-I300 HydrophobicContact CD2-CD1 4.23Å; L280-I300 HydrophobicContact CD2-CG1 4.13Å; I300-I318 HydrophobicContact CD1-CG2 4.25Å; I300-I318 HydrophobicContact CG2-CG2 4.02Å; I300-K322 HydrophobicContact CD1-CB 4.35Å; I300-A327 HydrophobicContact CD1-CB 4.11Å; I300-A327 HydrophobicContact CG1-CB 4.2Å; I300-Y328 PolarHBondContact N-O 2.84Å; I300-L329 HydrophobicContact CB-CD1 4.06Å; I300-L329 HydrophobicContact CG2-CD1 4.03Å; I300-Y330 PolarHBondContact O-N 3.43Å
301	M	98.8	Very high	96.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.7	178.2	-65.6	179.5	59.9	0	0	110.4	I234 I244 V245 D247 N250 L254 A258 L299	I234-M301 HydrophobicContact CD1-CE 3.54Å; I234-M301 HydrophobicContact CG1-CE 4.33Å; I244-M301 HydrophobicContact CB-SD 4.47Å; I244-M301 HydrophobicContact CD1-SD 4.16Å; I244-M301 HydrophobicContact CG1-SD 4.31Å; I244-M301 HydrophobicContact CG2-CG 4.1Å; I244-M301 HydrophobicContact CG2-SD 3.41Å; I244-M301 WeakPolarHBondContact CG2-SD 3.43Å; V245-M301 PolarHBondContact O-N 2.86Å; D247-M301 PolarHBondContact N-O 3.35Å; N250-M301 PolarHBondContact ND2-O 3.37Å; L254-M301 HydrophobicContact CB-CE 3.8Å; L254-M301 HydrophobicContact CD2-CE 3.69Å; L254-M301 HydrophobicContact CG-CE 4.31Å; A258-M301 HydrophobicContact CB-SD 4.4Å; L299-M301 HydrophobicContact CD2-CG 4.05Å; L299-M301 HydrophobicContact CD2-SD 4.2Å; L299-M301 HydrophobicContact CG-CG 4.04Å
302	V	98.8	Very high	96.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.4	-178.5	-73.7	0	0	0	0	112.2	D247 N250 F268 Y306 V313 I318 L329 Y330 L331 D332	D247-V302 HydrophobicContact CB-CG1 4.3Å; N250-V302 WeakPolarHBondContact OD1-CA 3.21Å; F268-V302 HydrophobicContact CE1-CG1 4.48Å; F268-V302 HydrophobicContact CZ-CG1 3.88Å; V302-Y306 WeakPolarHBondContact CB-OH 3.39Å; V302-Y306 WeakPolarHBondContact CG1-OH 3.3Å; V302-V313 HydrophobicContact CB-CG2 4.1Å; V302-V313 HydrophobicContact CG1-CG2 4.26Å; V302-V313 HydrophobicContact CG2-CG2 4.17Å; V302-I318 HydrophobicContact CB-CD1 4.48Å; V302-I318 HydrophobicContact CG1-CD1 3.75Å; V302-I318 HydrophobicContact CG2-CD1 4.19Å; V302-L329 HydrophobicContact CG2-CD1 3.81Å; V302-Y330 PolarHBondContact N-O 3.29Å; V302-Y330 VanDerWaalsContact N-O 3.14Å; V302-L331 HydrophobicContact CG2-CD1 3.92Å; V302-L331 WeakPolarHBondContact O-CA 3.29Å; V302-D332 PolarHBondContact O-N 2.65Å
303	E	98.6	Very high	96.8	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	154	160.7	-83	165.3	-107.3	0	0	111.3	N250 H251 L254 Y306 S307 V313 D332	N250-E303 WeakPolarHBondContact CA-OE1 3.44Å; N250-E303 PolarHBondContact OD1-N 2.83Å; H251-E303 VanDerWaalsContact CB-OE1 3.28Å; H251-E303 WeakPolarHBondContact CB-OE1 3.37Å; H251-E303 PolarHBondContact N-OE1 3.12Å; L254-E303 HydrophobicContact CD1-CG 4.21Å; E303-Y306 HydrophobicContact CB-CD1 3.97Å; E303-Y306 HydrophobicContact CB-CD2 4.28Å; E303-Y306 HydrophobicContact CB-CE1 3.87Å; E303-Y306 HydrophobicContact CB-CE2 4.18Å; E303-Y306 HydrophobicContact CB-CG 4.17Å; E303-Y306 PolarHBondContact N-OH 3.09Å; E303-Y306 WeakPolarHBondContact O-CE2 3.21Å; E303-S307 PolarHBondContact OE2-N 3Å; E303-V313 VanDerWaalsContact O-CB 3.26Å; E303-V313 WeakPolarHBondContact O-CB 3.41Å; E303-V313 WeakPolarHBondContact O-CG1 3.4Å; E303-D332 CarbonylContact C-O 3.57Å; E303-D332 WeakPolarHBondContact CA-O 3.41Å; E303-D332 HydrophobicContact CG-CB 4.05Å
304	G	97.8	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-74.2	-51.4	170.3	0	0	0	0	0	112.2	V313 D332	G304-V313 PolarHBondContact O-N 3.48Å; G304-D332 PolarHBondContact N-O 3.08Å
305	I	97.9	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-124.3	127	169.5	-73.4	173.7	0	0	0	108.5	S311 V312 H335 V340 S454 V456	I305-S311 WeakPolarHBondContact CA-O 3.23Å; I305-V312 HydrophobicContact CD1-CG2 4.39Å; I305-V312 HydrophobicContact CG1-CG2 3.91Å; I305-H335 HydrophobicContact CB-CB 3.79Å; I305-H335 HydrophobicContact CG2-CB 3.9Å; I305-H335 WeakPolarHBondContact O-CB 3.4Å; I305-V340 HydrophobicContact CD1-CG1 3.76Å; I305-V340 HydrophobicContact CD1-CG2 4.07Å; I305-S454 WeakPolarHBondContact CG2-OG 3.49Å; I305-V456 HydrophobicContact CG2-CG2 4.45Å
306	Y	96.8	Very high	96.9	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	10%	0.102	C	C	.	.			trans	-82.2	126.5	-174.4	-70.2	-99.1	0	0	0	111.9	D247 L249 H270 V302 E303 M308 E309 G310 S311 V313	D247-Y306 HydrophobicContact CB-CE1 4.17Å; L249-Y306 HydrophobicContact CB-CD1 3.98Å; L249-Y306 HydrophobicContact CB-CE1 4.43Å; H270-Y306 AromaticContact CE1-CD1 3.66Å; H270-Y306 AromaticContact CE1-CD2 3.52Å; H270-Y306 AromaticContact CE1-CE1 3.79Å; H270-Y306 AromaticContact CE1-CE2 3.67Å; H270-Y306 AromaticContact CE1-CG 3.52Å; H270-Y306 AromaticContact CE1-CZ 3.82Å; V302-Y306 WeakPolarHBondContact CB-OH 3.39Å; V302-Y306 WeakPolarHBondContact CG1-OH 3.3Å; E303-Y306 HydrophobicContact CB-CD1 3.97Å; E303-Y306 HydrophobicContact CB-CD2 4.28Å; E303-Y306 HydrophobicContact CB-CE1 3.87Å; E303-Y306 HydrophobicContact CB-CE2 4.18Å; E303-Y306 HydrophobicContact CB-CG 4.17Å; E303-Y306 PolarHBondContact N-OH 3.09Å; E303-Y306 WeakPolarHBondContact O-CE2 3.21Å; Y306-M308 VanDerWaalsContact C-N 3.31Å; Y306-M308 PolarHBondContact O-N 2.99Å; Y306-M308 VanDerWaalsContact O-N 3.12Å; Y306-E309 PolarHBondContact O-N 3.19Å; Y306-G310 PolarHBondContact O-N 2.83Å; Y306-S311 PolarHBondContact N-O 3.23Å; Y306-V313 HydrophobicContact CE2-CB 4.15Å
307	S	92.5	Very high	97	Very high	9 Å²	9	18.6 Å²	18.6	6%	0.063	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.8	-163.9	62	0	0	0	0	117.7	E303 H335 R497	E303-S307 PolarHBondContact OE2-N 3Å; S307-H335 VanDerWaalsContact CB-CD2 3.5Å; S307-H335 WeakPolarHBondContact CB-CD2 3.02Å; S307-H335 WeakPolarHBondContact CB-NE2 3.41Å; S307-R497 WeakPolarHBondContact O-CD 3.45Å
308	M	92.4	Very high	97	Very high	38 Å²	38	15.1 Å²	15.1	19%	0.187	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-31.3	178.3	-57.9	-55.1	137.9	0	0	113.6	Y306 P458 V484 T489 R495 R497	Y306-M308 VanDerWaalsContact C-N 3.31Å; Y306-M308 PolarHBondContact O-N 2.99Å; Y306-M308 VanDerWaalsContact O-N 3.12Å; M308-P458 WeakPolarHBondContact O-CB 3.34Å; M308-V484 HydrophobicContact SD-CG1 4.34Å; M308-T489 HydrophobicContact CB-CG2 4.2Å; M308-T489 HydrophobicContact CG-CG2 4.34Å; M308-R495 PolarHBondContact O-NH1 2.87Å; M308-R497 PolarHBondContact SD-NH1 3.19Å
309	E	92.2	Very high	97	Very high	15 Å²	15	14.8 Å²	14.8	7%	0.07	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.9	-175.3	-74	56.3	-125.8	0	0	112.4	F51 L249 Y306 S311 Y449 G450 P458 R495	F51-E309 HydrophobicContact CE1-CB 4.13Å; F51-E309 HydrophobicContact CE1-CG 4.02Å; F51-E309 HydrophobicContact CZ-CB 4.3Å; F51-E309 HydrophobicContact CZ-CG 4.4Å; L249-E309 HydrophobicContact CD1-CG 3.7Å; Y306-E309 PolarHBondContact O-N 3.19Å; E309-S311 WeakPolarHBondContact CB-OG 3.42Å; E309-S311 PolarHBondContact O-N 2.78Å; E309-Y449 CarbonylContact O-C 3.51Å; E309-Y449 VanDerWaalsContact O-C 3.3Å; E309-G450 WeakPolarHBondContact O-CA 3.41Å; E309-G450 PolarHBondContact O-N 2.89Å; E309-G450 VanDerWaalsContact O-N 3.16Å; E309-P458 VanDerWaalsContact O-CG 3.3Å; E309-P458 WeakPolarHBondContact O-CG 3.49Å; E309-R495 IonicContact OE1-CZ 3.53Å; E309-R495 IonicContact OE1-NH1 3.47Å; E309-R495 PolarHBondContact OE1-NH1 2.88Å; E309-R495 IonicContact OE1-NH2 3.36Å; E309-R495 PolarHBondContact OE1-NH2 3.49Å
310	G	95	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.			trans	66.7	13.4	-170.7	0	0	0	0	0	113.8	Y306 G450 D451 S454	Y306-G310 PolarHBondContact O-N 2.83Å; G310-G450 VanDerWaalsContact C-CA 3.46Å; G310-G450 WeakPolarHBondContact O-CA 3.47Å; G310-D451 PolarHBondContact O-N 2.84Å; G310-S454 WeakPolarHBondContact O-CB 3.21Å; G310-S454 PolarHBondContact O-OG 2.73Å
311	S	96	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.			trans	-70.6	153.5	174.1	40.3	0	0	0	0	112.1	D49 H270 I305 Y306 E309	D49-S311 VanDerWaalsContact CG-CB 3.47Å; D49-S311 WeakPolarHBondContact OD1-CA 3.4Å; D49-S311 VanDerWaalsContact OD1-CB 3.23Å; D49-S311 WeakPolarHBondContact OD1-CB 3.14Å; H270-S311 PolarHBondContact CE1-OG 3.18Å; H270-S311 PolarHBondContact NE2-OG 2.97Å; I305-S311 WeakPolarHBondContact CA-O 3.23Å; Y306-S311 PolarHBondContact N-O 3.23Å; E309-S311 WeakPolarHBondContact CB-OG 3.42Å; E309-S311 PolarHBondContact O-N 2.78Å
312	V	97.2	Very high	97	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.055	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-109.4	132.7	178.6	176.9	0	0	0	0	109.7	D49 N271 I305 V347 L350 F351 D451	D49-V312 PolarHBondContact OD1-N 2.92Å; N271-V312 PolarHBondContact ND2-O 3.36Å; I305-V312 HydrophobicContact CD1-CG2 4.39Å; I305-V312 HydrophobicContact CG1-CG2 3.91Å; V312-V347 HydrophobicContact CG1-CG1 3.94Å; V312-L350 HydrophobicContact CG1-CD2 3.99Å; V312-F351 HydrophobicContact CG1-CE2 3.61Å; V312-F351 HydrophobicContact CG1-CZ 3.57Å; V312-D451 HydrophobicContact CB-CB 4.13Å; V312-D451 HydrophobicContact CG2-CB 3.51Å
313	V	97.3	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.			trans	-64.3	140.6	-179.6	67.1	0	0	0	0	113.1	V302 E303 G304 Y306 L315 I318 L331 V347 F351	V302-V313 HydrophobicContact CB-CG2 4.1Å; V302-V313 HydrophobicContact CG1-CG2 4.26Å; V302-V313 HydrophobicContact CG2-CG2 4.17Å; E303-V313 VanDerWaalsContact O-CB 3.26Å; E303-V313 WeakPolarHBondContact O-CB 3.41Å; E303-V313 WeakPolarHBondContact O-CG1 3.4Å; G304-V313 PolarHBondContact O-N 3.48Å; Y306-V313 HydrophobicContact CE2-CB 4.15Å; V313-L315 HydrophobicContact CG1-CB 4.17Å; V313-L315 PolarHBondContact O-N 3.25Å; V313-I318 HydrophobicContact CG2-CD1 3.4Å; V313-L331 HydrophobicContact CG1-CD1 4.24Å; V313-V347 HydrophobicContact CG1-CG2 3.99Å; V313-F351 WeakPolarHBondContact O-CE2 3.42Å; V313-F351 VanDerWaalsContact O-CZ 3.32Å; V313-F351 WeakPolarHBondContact O-CZ 3.44Å
314	R	96.7	Very high	96.9	Very high	100 Å²	100	29.8 Å²	29.8	38%	0.377	15%	0.146	S	C	.	.			trans	-76.7	58.7	174.6	-66.7	168.4	70.2	166.2	3.9	112.2	N271 M273 P316 E317 I318	N271-R314 WeakPolarHBondContact OD1-CG 3.37Å; N271-R314 PolarHBondContact OD1-N 3.04Å; M273-R314 HydrophobicContact CE-CB 4.43Å; R314-P316 VanDerWaalsContact C-CD 3.48Å; R314-E317 IonicContact CZ-OE1 2.72Å; R314-E317 IonicContact CZ-OE2 3.65Å; R314-E317 IonicContact NE-OE1 2.73Å; R314-E317 PolarHBondContact NE-OE1 3.45Å; R314-E317 IonicContact NE-OE2 3.73Å; R314-E317 IonicContact NH2-OE1 3.13Å; R314-E317 PolarHBondContact NH2-OE1 3.15Å; R314-E317 IonicContact NH2-OE2 2.74Å; R314-E317 PolarHBondContact NH2-OE2 2.98Å; R314-E317 PolarHBondContact O-N 3.47Å; R314-E317 VanDerWaalsContact O-N 3.09Å; R314-I318 PolarHBondContact O-N 3.1Å
315	L	97.8	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-51.5	-43.4	-170.4	-175.9	58.2	0	0	0	114.7	V313 E317 I318 I319 L329 L331 V347 T348 F351 V353 V358	V313-L315 HydrophobicContact CG1-CB 4.17Å; V313-L315 PolarHBondContact O-N 3.25Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 2.97Å; L315-I318 PolarHBondContact O-N 3.23Å; L315-I319 HydrophobicContact CD1-CD1 3.9Å; L315-I319 HydrophobicContact CD1-CG1 4.06Å; L315-I319 HydrophobicContact CD2-CD1 4.47Å; L315-I319 HydrophobicContact CG-CD1 3.78Å; L315-I319 HydrophobicContact CG-CG1 4.38Å; L315-I319 WeakPolarHBondContact O-CG1 3.5Å; L315-I319 PolarHBondContact O-N 3.02Å; L315-L329 HydrophobicContact CD1-CD2 3.87Å; L315-L331 HydrophobicContact CD1-CD2 4.29Å; L315-L331 HydrophobicContact CD2-CD2 4.11Å; L315-V347 HydrophobicContact CD2-CG2 3.92Å; L315-T348 HydrophobicContact CD2-CG2 3.99Å; L315-F351 HydrophobicContact CB-CD2 3.87Å; L315-F351 HydrophobicContact CB-CE2 4.25Å; L315-V353 HydrophobicContact CD2-CG2 3.62Å; L315-V353 HydrophobicContact CG-CG2 4.13Å; L315-V358 HydrophobicContact CD1-CG2 4.48Å
316	P	98.1	Very high	97	Very high	41 Å²	41	40.4 Å²	40.4	27%	0.266	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-36.9	179.3	-24.5	35.6	0	0	0	113.5	R314 I319 A320 F351 V353	R314-P316 VanDerWaalsContact C-CD 3.48Å; P316-I319 PolarHBondContact O-N 3.46Å; P316-A320 PolarHBondContact O-N 3.48Å; P316-F351 HydrophobicContact CG-CB 3.94Å; P316-F351 HydrophobicContact CG-CD1 4.21Å; P316-F351 HydrophobicContact CG-CG 4.07Å; P316-V353 HydrophobicContact CB-CG1 4.42Å; P316-V353 HydrophobicContact CG-CG1 4.04Å
317	E	98.3	Very high	97	Very high	78 Å²	78	40.6 Å²	40.6	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-74.5	-36.8	179.1	-66.4	174.1	-108.7	0	0	111.4	M273 R314 L315 A320 L321	M273-E317 HydrophobicContact CG-CB 3.77Å; M273-E317 HydrophobicContact SD-CB 3.85Å; R314-E317 IonicContact CZ-OE1 2.72Å; R314-E317 IonicContact CZ-OE2 3.65Å; R314-E317 IonicContact NE-OE1 2.73Å; R314-E317 PolarHBondContact NE-OE1 3.45Å; R314-E317 IonicContact NE-OE2 3.73Å; R314-E317 IonicContact NH2-OE1 3.13Å; R314-E317 PolarHBondContact NH2-OE1 3.15Å; R314-E317 IonicContact NH2-OE2 2.74Å; R314-E317 PolarHBondContact NH2-OE2 2.98Å; R314-E317 PolarHBondContact O-N 3.47Å; R314-E317 VanDerWaalsContact O-N 3.09Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 2.97Å; E317-A320 PolarHBondContact O-N 2.67Å; E317-L321 WeakPolarHBondContact O-CG 3.27Å; E317-L321 PolarHBondContact O-N 3.45Å
318	I	98.6	Very high	97.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-41.8	171.9	-61.2	-174.3	0	0	0	110.8	M273 L276 I300 V302 V313 R314 L315 A320 L321 K322 L329	M273-I318 HydrophobicContact CE-CD1 3.95Å; M273-I318 HydrophobicContact CE-CG1 3.67Å; M273-I318 HydrophobicContact SD-CD1 4.42Å; M273-I318 HydrophobicContact SD-CG1 3.49Å; M273-I318 WeakPolarHBondContact SD-CG1 3.17Å; L276-I318 HydrophobicContact CD2-CD1 4.47Å; L276-I318 HydrophobicContact CD2-CG1 3.98Å; L276-I318 HydrophobicContact CD2-CG2 4.39Å; I300-I318 HydrophobicContact CD1-CG2 4.25Å; I300-I318 HydrophobicContact CG2-CG2 4.02Å; V302-I318 HydrophobicContact CB-CD1 4.48Å; V302-I318 HydrophobicContact CG1-CD1 3.75Å; V302-I318 HydrophobicContact CG2-CD1 4.19Å; V313-I318 HydrophobicContact CG2-CD1 3.4Å; R314-I318 PolarHBondContact O-N 3.1Å; L315-I318 PolarHBondContact O-N 3.23Å; I318-A320 VanDerWaalsContact C-N 3.34Å; I318-A320 PolarHBondContact O-N 3.06Å; I318-L321 PolarHBondContact O-N 3.41Å; I318-K322 VanDerWaalsContact O-CB 3.28Å; I318-K322 WeakPolarHBondContact O-CB 3.19Å; I318-K322 PolarHBondContact O-N 2.9Å; I318-L329 HydrophobicContact CG2-CD1 3.66Å; I318-L329 HydrophobicContact CG2-CD2 4.11Å
319	I	98.8	Very high	97.6	Very high	8 Å²	8	43 Å²	43	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-40.5	175	-71.9	167.7	0	0	0	110.9	L315 P316 K322 K323 L329 V353 D357	L315-I319 HydrophobicContact CD1-CD1 3.9Å; L315-I319 HydrophobicContact CD1-CG1 4.06Å; L315-I319 HydrophobicContact CD2-CD1 4.47Å; L315-I319 HydrophobicContact CG-CD1 3.78Å; L315-I319 HydrophobicContact CG-CG1 4.38Å; L315-I319 WeakPolarHBondContact O-CG1 3.5Å; L315-I319 PolarHBondContact O-N 3.02Å; P316-I319 PolarHBondContact O-N 3.46Å; I319-K322 WeakPolarHBondContact O-CB 3.38Å; I319-K322 PolarHBondContact O-N 2.54Å; I319-K323 HydrophobicContact CG2-CD 4.09Å; I319-K323 WeakPolarHBondContact O-CB 3.18Å; I319-K323 WeakPolarHBondContact O-CG 3.46Å; I319-K323 PolarHBondContact O-N 2.74Å; I319-L329 HydrophobicContact CG1-CD2 4.15Å; I319-V353 HydrophobicContact CD1-CB 4.03Å; I319-V353 HydrophobicContact CD1-CG1 4.26Å; I319-V353 HydrophobicContact CD1-CG2 3.93Å; I319-D357 HydrophobicContact CD1-CB 3.88Å; I319-D357 HydrophobicContact CG1-CB 4.19Å; I319-D357 HydrophobicContact CG2-CB 3.8Å
320	A	98.6	Very high	98	Very high	56 Å²	56	42.2 Å²	42.2	46%	0.463	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-44.2	174.9	0	0	0	0	0	112	P316 E317 I318 K323 K324	P316-A320 PolarHBondContact O-N 3.48Å; E317-A320 PolarHBondContact O-N 2.67Å; I318-A320 VanDerWaalsContact C-N 3.34Å; I318-A320 PolarHBondContact O-N 3.06Å; A320-K323 PolarHBondContact O-N 2.78Å; A320-K324 VanDerWaalsContact O-CB 3.26Å; A320-K324 WeakPolarHBondContact O-CB 3.19Å; A320-K324 PolarHBondContact O-N 2.84Å
321	L	98.7	Very high	98.1	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-40.6	176	-71.1	175.8	0	0	0	112.6	M273 L276 E277 L280 E317 I318 K323 K324 Y325	M273-L321 HydrophobicContact CB-CD1 4.24Å; M273-L321 HydrophobicContact SD-CD1 4.2Å; L276-L321 HydrophobicContact CB-CD1 4.31Å; L276-L321 HydrophobicContact CD2-CD1 3.92Å; L276-L321 HydrophobicContact CG-CD1 3.99Å; E277-L321 HydrophobicContact CB-CD1 4.22Å; E277-L321 HydrophobicContact CB-CD2 3.8Å; E277-L321 HydrophobicContact CG-CD2 4.05Å; L280-L321 HydrophobicContact CD1-CB 3.95Å; E317-L321 WeakPolarHBondContact O-CG 3.27Å; E317-L321 PolarHBondContact O-N 3.45Å; I318-L321 PolarHBondContact O-N 3.41Å; L321-K323 PolarHBondContact O-N 3.49Å; L321-K324 HydrophobicContact CD2-CD 4.48Å; L321-K324 PolarHBondContact O-N 3.02Å; L321-Y325 HydrophobicContact CD2-CD2 4.33Å; L321-Y325 HydrophobicContact CD2-CE2 4.06Å; L321-Y325 WeakPolarHBondContact O-CD2 3.46Å; L321-Y325 PolarHBondContact O-N 2.83Å
322	K	98.3	Very high	98.3	Very high	20 Å²	20	42.5 Å²	42.5	9%	0.087	20%	0.198	C	C	.	.	H	α-helix	trans	-52.3	-55.1	171.9	176.6	-158.2	156.3	167.1	0	110.1	I300 I318 I319 Y325 K326 A327 L329 D357 D359	I300-K322 HydrophobicContact CD1-CB 4.35Å; I318-K322 VanDerWaalsContact O-CB 3.28Å; I318-K322 WeakPolarHBondContact O-CB 3.19Å; I318-K322 PolarHBondContact O-N 2.9Å; I319-K322 WeakPolarHBondContact O-CB 3.38Å; I319-K322 PolarHBondContact O-N 2.54Å; K322-Y325 PolarHBondContact O-N 3.49Å; K322-K326 WeakPolarHBondContact O-CA 3.38Å; K322-K326 PolarHBondContact O-N 2.89Å; K322-A327 WeakPolarHBondContact CE-O 3.3Å; K322-A327 WeakPolarHBondContact CG-O 3.23Å; K322-A327 PolarHBondContact O-N 3.03Å; K322-L329 HydrophobicContact CD-CB 3.96Å; K322-L329 HydrophobicContact CG-CB 4.49Å; K322-D357 WeakPolarHBondContact CD-O 3.48Å; K322-D357 PolarHBondContact NZ-O 3.21Å; K322-D359 WeakPolarHBondContact CE-OD2 3.44Å; K322-D359 IonicContact NZ-OD1 2.95Å; K322-D359 PolarHBondContact NZ-OD1 2.75Å; K322-D359 IonicContact NZ-OD2 3.99Å; K322-D359 PolarHBondContact NZ-OD2 3.48Å
323	K	98.5	Very high	98.3	Very high	113 Å²	113	42.2 Å²	42.2	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-61.5	-46.8	-179.7	-72.8	173.6	177.7	177.6	0	111.7	I319 A320 L321 Y325 K326 D357	I319-K323 HydrophobicContact CG2-CD 4.09Å; I319-K323 WeakPolarHBondContact O-CB 3.18Å; I319-K323 WeakPolarHBondContact O-CG 3.46Å; I319-K323 PolarHBondContact O-N 2.74Å; A320-K323 PolarHBondContact O-N 2.78Å; L321-K323 PolarHBondContact O-N 3.49Å; K323-Y325 PolarHBondContact O-N 3.42Å; K323-K326 PolarHBondContact O-N 2.92Å; K323-D357 VanDerWaalsContact CE-CG 3.46Å; K323-D357 WeakPolarHBondContact CE-OD1 3.37Å; K323-D357 IonicContact NZ-OD1 3.98Å; K323-D357 PolarHBondContact NZ-OD1 3.09Å; K323-D357 IonicContact NZ-OD2 3.27Å; K323-D357 PolarHBondContact NZ-OD2 2.7Å
324	K	98.5	Very high	98.3	Very high	124 Å²	124	42.5 Å²	42.5	54%	0.539	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-40.5	179.5	179	175.2	169.8	-176	0	113.4	E277 A320 L321	E277-K324 IonicContact OE1-NZ 2.67Å; E277-K324 PolarHBondContact OE1-NZ 3.02Å; E277-K324 IonicContact OE2-NZ 2.64Å; A320-K324 VanDerWaalsContact O-CB 3.26Å; A320-K324 WeakPolarHBondContact O-CB 3.19Å; A320-K324 PolarHBondContact O-N 2.84Å; L321-K324 HydrophobicContact CD2-CD 4.48Å; L321-K324 PolarHBondContact O-N 3.02Å
325	Y	98.3	Very high	98.4	Very high	32 Å²	32	38 Å²	38	13%	0.125	18%	0.182	C	C	.	.	H	α-helix	trans	-102.9	6	-176	-70.8	-74.7	0	0	0	114.5	E277 L280 R281 V284 L321 K322 K323 A327	E277-Y325 HydrophobicContact CG-CE2 3.85Å; E277-Y325 PolarHBondContact OE1-OH 2.84Å; L280-Y325 HydrophobicContact CB-CD1 4.21Å; L280-Y325 HydrophobicContact CB-CD2 3.79Å; L280-Y325 HydrophobicContact CB-CE2 4.32Å; L280-Y325 HydrophobicContact CB-CG 3.73Å; L280-Y325 HydrophobicContact CD1-CD2 3.97Å; L280-Y325 HydrophobicContact CD1-CG 4.42Å; R281-Y325 HydrophobicContact CB-CE1 3.99Å; R281-Y325 HydrophobicContact CG-CE1 4.31Å; R281-Y325 PolarHBondContact NE-OH 3.47Å; V284-Y325 HydrophobicContact CG2-CD1 4.1Å; L321-Y325 HydrophobicContact CD2-CD2 4.33Å; L321-Y325 HydrophobicContact CD2-CE2 4.06Å; L321-Y325 WeakPolarHBondContact O-CD2 3.46Å; L321-Y325 PolarHBondContact O-N 2.83Å; K322-Y325 PolarHBondContact O-N 3.49Å; K323-Y325 PolarHBondContact O-N 3.42Å; Y325-A327 PolarHBondContact O-N 2.97Å
326	K	97.8	Very high	98.4	Very high	191 Å²	191	38 Å²	38	83%	0.83	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.4	-177.4	-57.6	-176	179.8	-177.8	0	113.2	K322 K323	K322-K326 WeakPolarHBondContact O-CA 3.38Å; K322-K326 PolarHBondContact O-N 2.89Å; K323-K326 PolarHBondContact O-N 2.92Å
327	A	98.5	Very high	98.3	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	17%	0.17	C	C	.	.			trans	-86.6	169.6	174.2	0	0	0	0	0	111.5	L280 I298 I300 K322 Y325	L280-A327 HydrophobicContact CD2-CB 4.24Å; I298-A327 HydrophobicContact CB-CB 4.22Å; I298-A327 HydrophobicContact CG2-CB 4.13Å; I300-A327 HydrophobicContact CD1-CB 4.11Å; I300-A327 HydrophobicContact CG1-CB 4.2Å; K322-A327 WeakPolarHBondContact CE-O 3.3Å; K322-A327 WeakPolarHBondContact CG-O 3.23Å; K322-A327 PolarHBondContact O-N 3.03Å; Y325-A327 PolarHBondContact O-N 2.97Å
328	Y	98.7	Very high	98.2	Very high	96 Å²	96	32.4 Å²	32.4	38%	0.376	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	159.6	165	-61.3	-83.4	0	0	0	110.2	K297 I298 I300 D359	K297-Y328 HydrophobicContact CB-CD2 4.1Å; K297-Y328 HydrophobicContact CB-CE2 4.03Å; K297-Y328 HydrophobicContact CD-CD2 4.42Å; K297-Y328 HydrophobicContact CD-CE2 4.11Å; K297-Y328 HydrophobicContact CG-CD2 4.37Å; K297-Y328 HydrophobicContact CG-CE2 3.88Å; I298-Y328 PolarHBondContact O-N 3.22Å; I300-Y328 PolarHBondContact N-O 2.84Å; Y328-D359 VanDerWaalsContact CA-OD2 3.24Å; Y328-D359 WeakPolarHBondContact CA-OD2 3.37Å; Y328-D359 HydrophobicContact CD1-CB 4.13Å
329	L	98.9	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.3	178	177.9	60.1	0	0	0	111	I300 V302 L315 I318 I319 K322 V358 D359 V360	I300-L329 HydrophobicContact CB-CD1 4.06Å; I300-L329 HydrophobicContact CG2-CD1 4.03Å; V302-L329 HydrophobicContact CG2-CD1 3.81Å; L315-L329 HydrophobicContact CD1-CD2 3.87Å; I318-L329 HydrophobicContact CG2-CD1 3.66Å; I318-L329 HydrophobicContact CG2-CD2 4.11Å; I319-L329 HydrophobicContact CG1-CD2 4.15Å; K322-L329 HydrophobicContact CD-CB 3.96Å; K322-L329 HydrophobicContact CG-CB 4.49Å; L329-V358 HydrophobicContact CD2-CG1 4.33Å; L329-V358 HydrophobicContact CD2-CG2 4.15Å; L329-V358 HydrophobicContact CG-CG1 4.25Å; L329-D359 PolarHBondContact N-OD2 3.16Å; L329-D359 PolarHBondContact O-N 3.31Å; L329-V360 PolarHBondContact O-N 3.5Å; L329-V360 VanDerWaalsContact O-N 3.11Å
330	Y	98.9	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.4	165	-161.3	-75.8	0	0	0	108.4	N230 I234 L237 L254 I300 V302 V360 M362	N230-Y330 PolarHBondContact OD1-OH 3.11Å; I234-Y330 HydrophobicContact CG1-CE2 3.93Å; L237-Y330 HydrophobicContact CD1-CD2 3.81Å; L237-Y330 HydrophobicContact CD1-CE2 3.61Å; L254-Y330 HydrophobicContact CD2-CD1 4.01Å; L254-Y330 HydrophobicContact CD2-CE1 3.73Å; I300-Y330 PolarHBondContact O-N 3.43Å; V302-Y330 PolarHBondContact N-O 3.29Å; V302-Y330 VanDerWaalsContact N-O 3.14Å; Y330-V360 WeakPolarHBondContact CA-O 3.49Å; Y330-V360 HydrophobicContact CD2-CB 3.69Å; Y330-V360 HydrophobicContact CD2-CG1 3.6Å; Y330-V360 HydrophobicContact CD2-CG2 4.19Å; Y330-V360 HydrophobicContact CE2-CB 4.15Å; Y330-V360 HydrophobicContact CE2-CG1 3.51Å; Y330-V360 HydrophobicContact CG-CB 4.23Å; Y330-V360 HydrophobicContact CG-CG1 4.42Å; Y330-M362 HydrophobicContact CE1-CB 3.72Å; Y330-M362 HydrophobicContact CE1-CG 4.43Å
331	L	98.8	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.5	179.2	-179.7	65.4	0	0	0	109.5	V302 V313 L315 E333 V347 T348 V358 V360 M362	V302-L331 HydrophobicContact CG2-CD1 3.92Å; V302-L331 WeakPolarHBondContact O-CA 3.29Å; V313-L331 HydrophobicContact CG1-CD1 4.24Å; L315-L331 HydrophobicContact CD1-CD2 4.29Å; L315-L331 HydrophobicContact CD2-CD2 4.11Å; L331-E333 HydrophobicContact CD2-CG 3.99Å; L331-E333 HydrophobicContact CG-CG 4.1Å; L331-E333 PolarHBondContact O-N 2.94Å; L331-V347 HydrophobicContact CD1-CG2 4.17Å; L331-V347 HydrophobicContact CD2-CG2 3.96Å; L331-T348 HydrophobicContact CD2-CG2 4.07Å; L331-V358 HydrophobicContact CB-CG1 3.69Å; L331-V358 HydrophobicContact CD2-CG1 4.34Å; L331-V358 HydrophobicContact CD2-CG2 4.19Å; L331-V360 PolarHBondContact N-O 2.73Å; L331-M362 PolarHBondContact O-N 3.29Å
332	D	98.7	Very high	97.5	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.032	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	95.9	172.9	-173.7	-29.5	0	0	0	109.3	N230 L254 V302 E303 G304 A334 M362	N230-D332 PolarHBondContact ND2-OD2 2.98Å; L254-D332 HydrophobicContact CD1-CB 4.15Å; L254-D332 HydrophobicContact CD2-CB 4.33Å; V302-D332 PolarHBondContact O-N 2.65Å; E303-D332 CarbonylContact C-O 3.57Å; E303-D332 WeakPolarHBondContact CA-O 3.41Å; E303-D332 HydrophobicContact CG-CB 4.05Å; G304-D332 PolarHBondContact N-O 3.08Å; D332-A334 PolarHBondContact O-N 2.92Å; D332-A334 WeakPolarHBondContact OD1-CA 3.35Å; D332-A334 WeakPolarHBondContact OD1-CB 3.04Å; D332-A334 PolarHBondContact OD1-N 2.89Å; D332-M362 HydrophobicContact CB-SD 4.35Å; D332-M362 VanDerWaalsContact OD1-SD 3.38Å
333	E	97.9	Very high	97.4	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	17%	0.173	C	C	.	.			trans	-77.6	10.2	176.9	-71.5	-85.1	-159.9	0	0	112.1	L331 H335 S336 I337 G346 V347 T348 M362	L331-E333 HydrophobicContact CD2-CG 3.99Å; L331-E333 HydrophobicContact CG-CG 4.1Å; L331-E333 PolarHBondContact O-N 2.94Å; E333-H335 PolarHBondContact O-N 2.61Å; E333-S336 WeakPolarHBondContact CA-OG 3.14Å; E333-S336 PolarHBondContact O-N 3.29Å; E333-S336 PolarHBondContact O-OG 3.42Å; E333-S336 WeakPolarHBondContact OE2-CB 3.23Å; E333-S336 PolarHBondContact OE2-OG 2.97Å; E333-I337 HydrophobicContact CB-CB 4.15Å; E333-I337 WeakPolarHBondContact O-CG2 3.38Å; E333-I337 PolarHBondContact O-N 3.38Å; E333-G346 WeakPolarHBondContact OE2-CA 3.34Å; E333-V347 WeakPolarHBondContact OE1-CG2 3.24Å; E333-V347 PolarHBondContact OE1-N 2.75Å; E333-V347 WeakPolarHBondContact OE2-CG2 3.28Å; E333-V347 PolarHBondContact OE2-N 3.2Å; E333-T348 PolarHBondContact OE1-N 3.06Å; E333-M362 WeakPolarHBondContact CB-O 3.36Å; E333-M362 PolarHBondContact N-O 3.13Å
334	A	97.6	Very high	97.2	Very high	6 Å²	6	30 Å²	30	5%	0.05	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.4	-166.5	0	0	0	0	0	115.8	D332 M362 T364 K367	D332-A334 PolarHBondContact O-N 2.92Å; D332-A334 WeakPolarHBondContact OD1-CA 3.35Å; D332-A334 WeakPolarHBondContact OD1-CB 3.04Å; D332-A334 PolarHBondContact OD1-N 2.89Å; A334-M362 HydrophobicContact CB-SD 4.32Å; A334-T364 HydrophobicContact CB-CG2 3.65Å; A334-K367 VanDerWaalsContact O-CD 3.23Å; A334-K367 WeakPolarHBondContact O-CD 3.17Å; A334-K367 WeakPolarHBondContact O-CE 3.37Å; A334-K367 PolarHBondContact O-NZ 2.88Å
335	H	98.1	Very high	97.1	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.032	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-6.9	171.6	-85	-70.1	0	0	0	114.1	Y164 Y166 I305 S307 E333 A339 K367	Y164-H335 AromaticContact CD1-CE1 3.8Å; Y164-H335 AromaticContact CE1-CE1 3.56Å; Y164-H335 AromaticContact CE2-CE1 3.84Å; Y164-H335 AromaticContact CZ-CE1 3.56Å; Y166-H335 AromaticContact CE2-ND1 3.86Å; Y166-H335 AromaticContact CZ-ND1 3.79Å; Y166-H335 PolarHBondContact OH-ND1 3.49Å; I305-H335 HydrophobicContact CB-CB 3.79Å; I305-H335 HydrophobicContact CG2-CB 3.9Å; I305-H335 WeakPolarHBondContact O-CB 3.4Å; S307-H335 VanDerWaalsContact CB-CD2 3.5Å; S307-H335 WeakPolarHBondContact CB-CD2 3.02Å; S307-H335 WeakPolarHBondContact CB-NE2 3.41Å; E333-H335 PolarHBondContact O-N 2.61Å; H335-A339 VanDerWaalsContact O-CB 3.3Å; H335-A339 WeakPolarHBondContact O-CB 3.43Å; H335-K367 PolarHBondContact CD2-NZ 2.99Å; H335-K367 PolarHBondContact CE1-NZ 3.27Å; H335-K367 VanDerWaalsContact CE1-NZ 3.28Å; H335-K367 PolarHBondContact NE2-NZ 2.97Å
336	S	97.6	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-30.9	-174.5	31.9	0	0	0	0	112.8	E333 G338 A339 V340 G346	E333-S336 WeakPolarHBondContact CA-OG 3.14Å; E333-S336 PolarHBondContact O-N 3.29Å; E333-S336 PolarHBondContact O-OG 3.42Å; E333-S336 WeakPolarHBondContact OE2-CB 3.23Å; E333-S336 PolarHBondContact OE2-OG 2.97Å; S336-G338 PolarHBondContact O-N 2.88Å; S336-A339 WeakPolarHBondContact O-CA 3.28Å; S336-A339 PolarHBondContact O-N 3.18Å; S336-V340 PolarHBondContact O-N 2.87Å; S336-G346 WeakPolarHBondContact O-CA 3.21Å
337	I	97.4	Very high	97.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	128	173.3	-164.1	69.2	0	0	0	110.5	F214 I215 E333 A339 R345 S368 F369 Y375	F214-I337 HydrophobicContact CD1-CD1 4.22Å; F214-I337 HydrophobicContact CE1-CD1 3.59Å; F214-I337 HydrophobicContact CE1-CG1 3.99Å; F214-I337 HydrophobicContact CZ-CD1 4.42Å; I215-I337 HydrophobicContact CG1-CD1 4.44Å; E333-I337 HydrophobicContact CB-CB 4.15Å; E333-I337 WeakPolarHBondContact O-CG2 3.38Å; E333-I337 PolarHBondContact O-N 3.38Å; I337-A339 PolarHBondContact O-N 2.87Å; I337-A339 VanDerWaalsContact O-N 3.13Å; I337-R345 WeakPolarHBondContact CD1-O 3.49Å; I337-S368 VanDerWaalsContact O-CB 3.28Å; I337-S368 WeakPolarHBondContact O-CB 3.38Å; I337-S368 PolarHBondContact O-OG 3.49Å; I337-F369 HydrophobicContact CG1-CE2 3.97Å; I337-F369 HydrophobicContact CG1-CZ 4.01Å; I337-F369 HydrophobicContact CG2-CE2 3.99Å; I337-Y375 WeakPolarHBondContact CG1-OH 3.37Å
338	G	95.8	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-7.4	-169.8	0	0	0	0	0	115.3	L167 S336 G344	L167-G338 VanDerWaalsContact CD1-O 3.24Å; L167-G338 WeakPolarHBondContact CD1-O 3.47Å; L167-G338 VanDerWaalsContact CD2-O 3.29Å; L167-G338 WeakPolarHBondContact CD2-O 3.2Å; L167-G338 WeakPolarHBondContact CG-O 3.38Å; S336-G338 PolarHBondContact O-N 2.88Å; G338-G344 VanDerWaalsContact CA-O 3.24Å; G338-G344 WeakPolarHBondContact CA-O 3.35Å; G338-G344 PolarHBondContact N-O 3.41Å
339	A	95.6	Very high	96.8	Very high	6 Å²	6	15 Å²	15	5%	0.05	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-33.3	-173.1	0	0	0	0	0	113.5	Y166 H335 S336 I337 L430 P455	Y166-A339 HydrophobicContact CD2-CB 4.27Å; Y166-A339 HydrophobicContact CG-CB 4.28Å; H335-A339 VanDerWaalsContact O-CB 3.3Å; H335-A339 WeakPolarHBondContact O-CB 3.43Å; S336-A339 WeakPolarHBondContact O-CA 3.28Å; S336-A339 PolarHBondContact O-N 3.18Å; I337-A339 PolarHBondContact O-N 2.87Å; I337-A339 VanDerWaalsContact O-N 3.13Å; A339-L430 HydrophobicContact CB-CD2 4.32Å; A339-P455 HydrophobicContact CB-CG 4.01Å
340	V	96.2	Very high	96.7	Very high	7 Å²	7	16 Å²	16	4%	0.042	9%	0.09	C	C	.	.	S	Bend	trans	-136.3	163.5	178.1	-62.7	0	0	0	0	112.1	I305 S336 G344 R345 G346 V347 L350 D453	I305-V340 HydrophobicContact CD1-CG1 3.76Å; I305-V340 HydrophobicContact CD1-CG2 4.07Å; S336-V340 PolarHBondContact O-N 2.87Å; V340-G344 CarbonylContact O-C 3.59Å; V340-G344 VanDerWaalsContact O-C 3.29Å; V340-G344 WeakPolarHBondContact O-CA 3.49Å; V340-R345 PolarHBondContact O-N 2.88Å; V340-G346 PolarHBondContact O-N 2.82Å; V340-V347 HydrophobicContact CG2-CG1 4.21Å; V340-L350 HydrophobicContact CB-CD1 4.45Å; V340-L350 HydrophobicContact CB-CD2 4.22Å; V340-L350 HydrophobicContact CG2-CB 4.44Å; V340-L350 HydrophobicContact CG2-CD2 4.12Å; V340-D453 WeakPolarHBondContact CG1-O 3.27Å
341	G	94.6	Very high	96.6	Very high	10 Å²	10	18.6 Å²	18.6	10%	0.103	10%	0.101	C	C	.	.	S	Bend	trans	92.6	144.2	-169.8	0	0	0	0	0	112.1	S343 G344 E349	G341-S343 PolarHBondContact O-N 3.36Å; G341-S343 VanDerWaalsContact O-N 3.16Å; G341-G344 PolarHBondContact O-N 3.46Å; G341-E349 WeakPolarHBondContact CA-OE2 3.37Å
342	P	93.9	Very high	96.5	Very high	103 Å²	103	25.9 Å²	25.9	67%	0.669	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28	-179.1	-30.9	37.1	0	0	0	116.8
343	S	94.7	Very high	96.4	Very high	34 Å²	34	27 Å²	27	24%	0.238	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	16.6	172.1	64.8	0	0	0	0	113	G341 R345 E349 I427	G341-S343 PolarHBondContact O-N 3.36Å; G341-S343 VanDerWaalsContact O-N 3.16Å; S343-R345 WeakPolarHBondContact OG-CD 3.29Å; S343-E349 WeakPolarHBondContact CB-OE1 3.34Å; S343-E349 VanDerWaalsContact N-CD 3.34Å; S343-E349 PolarHBondContact N-OE1 3.25Å; S343-E349 PolarHBondContact N-OE2 3.4Å; S343-E349 VanDerWaalsContact OG-CD 3.27Å; S343-E349 PolarHBondContact OG-OE1 3.01Å; S343-E349 PolarHBondContact OG-OE2 3.42Å; S343-I427 VanDerWaalsContact C-CD1 3.49Å
344	G	95.8	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	74.1	23.2	176.5	0	0	0	0	0	113.7	F214 G338 V340 G341 G346 E349	F214-G344 WeakPolarHBondContact CZ-O 3.3Å; G338-G344 VanDerWaalsContact CA-O 3.24Å; G338-G344 WeakPolarHBondContact CA-O 3.35Å; G338-G344 PolarHBondContact N-O 3.41Å; V340-G344 CarbonylContact O-C 3.59Å; V340-G344 VanDerWaalsContact O-C 3.29Å; V340-G344 WeakPolarHBondContact O-CA 3.49Å; G341-G344 PolarHBondContact O-N 3.46Å; G344-G346 VanDerWaalsContact C-N 3.28Å; G344-G346 PolarHBondContact O-N 2.96Å; G344-E349 PolarHBondContact N-OE2 3.17Å
345	R	96.1	Very high	96.3	Very high	86 Å²	86	32.4 Å²	32.4	33%	0.325	18%	0.177	S	C	.	.			trans	-80.9	-1	-174.3	-74.6	173.2	154.6	172.7	-16.2	114.9	D213 F214 I337 V340 S343 E349	D213-R345 PolarHBondContact O-NH2 2.71Å; F214-R345 HydrophobicContact CD2-CG 4.42Å; F214-R345 HydrophobicContact CE2-CG 3.96Å; F214-R345 HydrophobicContact CZ-CG 4.25Å; F214-R345 WeakPolarHBondContact O-CG 3.24Å; F214-R345 PolarHBondContact O-NE 3.37Å; F214-R345 PolarHBondContact O-NH2 3.31Å; I337-R345 WeakPolarHBondContact CD1-O 3.49Å; V340-R345 PolarHBondContact O-N 2.88Å; S343-R345 WeakPolarHBondContact OG-CD 3.29Å; R345-E349 HydrophobicContact CB-CB 3.68Å; R345-E349 HydrophobicContact CB-CG 4.2Å; R345-E349 WeakPolarHBondContact CB-OE2 3.32Å; R345-E349 PolarHBondContact N-OE2 3.49Å
346	G	97.1	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.			trans	100.2	-165	178.6	0	0	0	0	0	113.7	E333 S336 V340 G344 T348 E349 L350	E333-G346 WeakPolarHBondContact OE2-CA 3.34Å; S336-G346 WeakPolarHBondContact O-CA 3.21Å; V340-G346 PolarHBondContact O-N 2.82Å; G344-G346 VanDerWaalsContact C-N 3.28Å; G344-G346 PolarHBondContact O-N 2.96Å; G346-T348 PolarHBondContact O-N 3.25Å; G346-E349 PolarHBondContact O-N 2.96Å; G346-L350 PolarHBondContact O-N 2.71Å; G346-L350 VanDerWaalsContact O-N 3.07Å
347	V	97.6	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-25.1	-175.1	-66.9	0	0	0	0	112.8	V312 V313 L315 L331 E333 V340 E349 L350 F351	V312-V347 HydrophobicContact CG1-CG1 3.94Å; V313-V347 HydrophobicContact CG1-CG2 3.99Å; L315-V347 HydrophobicContact CD2-CG2 3.92Å; L331-V347 HydrophobicContact CD1-CG2 4.17Å; L331-V347 HydrophobicContact CD2-CG2 3.96Å; E333-V347 WeakPolarHBondContact OE1-CG2 3.24Å; E333-V347 PolarHBondContact OE1-N 2.75Å; E333-V347 WeakPolarHBondContact OE2-CG2 3.28Å; E333-V347 PolarHBondContact OE2-N 3.2Å; V340-V347 HydrophobicContact CG2-CG1 4.21Å; V347-E349 VanDerWaalsContact C-N 3.33Å; V347-E349 PolarHBondContact O-N 3.33Å; V347-L350 HydrophobicContact CG1-CD2 4.39Å; V347-L350 PolarHBondContact O-N 3.34Å; V347-F351 HydrophobicContact CB-CD2 4.17Å; V347-F351 HydrophobicContact CB-CE2 4.17Å; V347-F351 WeakPolarHBondContact O-CD2 3.48Å; V347-F351 PolarHBondContact O-N 2.95Å
348	T	97.1	Very high	96.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-55	-47.6	172	50.2	0	0	0	0	112.3	L315 L331 E333 G346 N352 V353 V358 M361	L315-T348 HydrophobicContact CD2-CG2 3.99Å; L331-T348 HydrophobicContact CD2-CG2 4.07Å; E333-T348 PolarHBondContact OE1-N 3.06Å; G346-T348 PolarHBondContact O-N 3.25Å; T348-N352 PolarHBondContact O-N 3.39Å; T348-V353 HydrophobicContact CG2-CG2 4.49Å; T348-V353 WeakPolarHBondContact O-CG2 3.4Å; T348-V353 PolarHBondContact O-N 3.02Å; T348-V358 HydrophobicContact CG2-CG2 4.27Å; T348-M361 HydrophobicContact CG2-CE 3.64Å; T348-M361 HydrophobicContact CG2-SD 4.44Å
349	E	95.8	Very high	96.3	Very high	44 Å²	44	38.6 Å²	38.6	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-76.3	-37.1	176.7	-165.2	-163.5	-158.6	0	0	112.2	G341 S343 G344 R345 G346 V347 F351 N352	G341-E349 WeakPolarHBondContact CA-OE2 3.37Å; S343-E349 WeakPolarHBondContact CB-OE1 3.34Å; S343-E349 VanDerWaalsContact N-CD 3.34Å; S343-E349 PolarHBondContact N-OE1 3.25Å; S343-E349 PolarHBondContact N-OE2 3.4Å; S343-E349 VanDerWaalsContact OG-CD 3.27Å; S343-E349 PolarHBondContact OG-OE1 3.01Å; S343-E349 PolarHBondContact OG-OE2 3.42Å; G344-E349 PolarHBondContact N-OE2 3.17Å; R345-E349 HydrophobicContact CB-CB 3.68Å; R345-E349 HydrophobicContact CB-CG 4.2Å; R345-E349 WeakPolarHBondContact CB-OE2 3.32Å; R345-E349 PolarHBondContact N-OE2 3.49Å; G346-E349 PolarHBondContact O-N 2.96Å; V347-E349 VanDerWaalsContact C-N 3.33Å; V347-E349 PolarHBondContact O-N 3.33Å; E349-F351 PolarHBondContact O-N 3.22Å; E349-N352 PolarHBondContact O-N 3.43Å
350	L	96.3	Very high	96.5	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-55.8	-38.5	176.6	-176.5	65	0	0	0	112.7	V312 V340 G346 V347	V312-L350 HydrophobicContact CG1-CD2 3.99Å; V340-L350 HydrophobicContact CB-CD1 4.45Å; V340-L350 HydrophobicContact CB-CD2 4.22Å; V340-L350 HydrophobicContact CG2-CB 4.44Å; V340-L350 HydrophobicContact CG2-CD2 4.12Å; G346-L350 PolarHBondContact O-N 2.71Å; G346-L350 VanDerWaalsContact O-N 3.07Å; V347-L350 HydrophobicContact CG1-CD2 4.39Å; V347-L350 PolarHBondContact O-N 3.34Å
351	F	96.7	Very high	96.6	Very high	53 Å²	53	38.4 Å²	38.4	23%	0.232	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	1.1	177.4	-66.8	-63.6	0	0	0	114.3	F46 V312 V313 L315 P316 V347 E349 V353	F46-F351 HydrophobicContact CD1-CD1 4.49Å; F46-F351 HydrophobicContact CD1-CE1 4.23Å; F46-F351 HydrophobicContact CE1-CD1 4.18Å; F46-F351 HydrophobicContact CE1-CE1 4.33Å; V312-F351 HydrophobicContact CG1-CE2 3.61Å; V312-F351 HydrophobicContact CG1-CZ 3.57Å; V313-F351 WeakPolarHBondContact O-CE2 3.42Å; V313-F351 VanDerWaalsContact O-CZ 3.32Å; V313-F351 WeakPolarHBondContact O-CZ 3.44Å; L315-F351 HydrophobicContact CB-CD2 3.87Å; L315-F351 HydrophobicContact CB-CE2 4.25Å; P316-F351 HydrophobicContact CG-CB 3.94Å; P316-F351 HydrophobicContact CG-CD1 4.21Å; P316-F351 HydrophobicContact CG-CG 4.07Å; V347-F351 HydrophobicContact CB-CD2 4.17Å; V347-F351 HydrophobicContact CB-CE2 4.17Å; V347-F351 WeakPolarHBondContact O-CD2 3.48Å; V347-F351 PolarHBondContact O-N 2.95Å; E349-F351 PolarHBondContact O-N 3.22Å; F351-V353 VanDerWaalsContact C-N 3.29Å; F351-V353 HydrophobicContact CB-CG1 4.2Å; F351-V353 PolarHBondContact O-N 3.36Å
352	N	96.4	Very high	96.7	Very high	153 Å²	153	38.1 Å²	38.1	82%	0.818	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	45.1	-175.9	-169.7	61	0	0	0	113.1	T348 E349	T348-N352 PolarHBondContact O-N 3.39Å; E349-N352 PolarHBondContact O-N 3.43Å
353	V	96.8	Very high	96.9	Very high	29 Å²	29	33.2 Å²	33.2	18%	0.176	18%	0.182	C	C	.	.			trans	-100.1	149.1	174.2	-63.7	0	0	0	0	110.7	L315 P316 I319 T348 F351 P355	L315-V353 HydrophobicContact CD2-CG2 3.62Å; L315-V353 HydrophobicContact CG-CG2 4.13Å; P316-V353 HydrophobicContact CB-CG1 4.42Å; P316-V353 HydrophobicContact CG-CG1 4.04Å; I319-V353 HydrophobicContact CD1-CB 4.03Å; I319-V353 HydrophobicContact CD1-CG1 4.26Å; I319-V353 HydrophobicContact CD1-CG2 3.93Å; T348-V353 HydrophobicContact CG2-CG2 4.49Å; T348-V353 WeakPolarHBondContact O-CG2 3.4Å; T348-V353 PolarHBondContact O-N 3.02Å; F351-V353 VanDerWaalsContact C-N 3.29Å; F351-V353 HydrophobicContact CB-CG1 4.2Å; F351-V353 PolarHBondContact O-N 3.36Å; V353-P355 WeakPolarHBondContact O-CD 3.4Å
354	N	96.5	Very high	97.1	Very high	96 Å²	96	31.7 Å²	31.7	51%	0.513	17%	0.172	S	C	.	.			trans	-66.7	125.5	179.1	-177	-14.2	0	0	0	110.4	A356 D357	N354-A356 PolarHBondContact O-N 3.12Å; N354-A356 VanDerWaalsContact O-N 3.12Å; N354-A356 WeakPolarHBondContact OD1-CB 3.35Å; N354-A356 PolarHBondContact OD1-N 2.91Å; N354-D357 WeakPolarHBondContact O-CB 2.88Å; N354-D357 PolarHBondContact O-N 2.8Å
355	P	96.3	Very high	97.2	Very high	27 Å²	27	31.7 Å²	31.7	18%	0.175	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-48.4	-37.2	173.5	-32.5	38.5	0	0	0	114.6	V217 V353 D357 V358 M361	V217-P355 HydrophobicContact CG1-CB 3.72Å; V353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-D357 PolarHBondContact O-N 3.33Å; P355-D357 VanDerWaalsContact O-N 3.09Å; P355-V358 PolarHBondContact O-N 3.26Å; P355-M361 VanDerWaalsContact CA-CE 3.46Å; P355-M361 HydrophobicContact CB-CE 3.62Å; P355-M361 WeakPolarHBondContact O-CE 3.38Å
356	A	95.6	Very high	97.2	Very high	70 Å²	70	31 Å²	31	58%	0.579	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-64.6	-12.5	179.7	0	0	0	0	0	114.7	N354 V358	N354-A356 PolarHBondContact O-N 3.12Å; N354-A356 VanDerWaalsContact O-N 3.12Å; N354-A356 WeakPolarHBondContact OD1-CB 3.35Å; N354-A356 PolarHBondContact OD1-N 2.91Å; A356-V358 VanDerWaalsContact C-N 3.26Å
357	D	97.3	Very high	97.2	Very high	39 Å²	39	32.1 Å²	32.1	21%	0.209	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-77.1	-10.2	172.4	-82.2	-28.9	0	0	0	113.5	I319 K322 K323 N354 P355	I319-D357 HydrophobicContact CD1-CB 3.88Å; I319-D357 HydrophobicContact CG1-CB 4.19Å; I319-D357 HydrophobicContact CG2-CB 3.8Å; K322-D357 WeakPolarHBondContact CD-O 3.48Å; K322-D357 PolarHBondContact NZ-O 3.21Å; K323-D357 VanDerWaalsContact CE-CG 3.46Å; K323-D357 WeakPolarHBondContact CE-OD1 3.37Å; K323-D357 IonicContact NZ-OD1 3.98Å; K323-D357 PolarHBondContact NZ-OD1 3.09Å; K323-D357 IonicContact NZ-OD2 3.27Å; K323-D357 PolarHBondContact NZ-OD2 2.7Å; N354-D357 WeakPolarHBondContact O-CB 2.88Å; N354-D357 PolarHBondContact O-N 2.8Å; P355-D357 PolarHBondContact O-N 3.33Å; P355-D357 VanDerWaalsContact O-N 3.09Å
358	V	98.3	Very high	97.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	18%	0.182	C	C	.	.			trans	-103.8	128.2	173.3	-173.8	0	0	0	0	108.9	L315 L329 L331 T348 P355 A356 M361	L315-V358 HydrophobicContact CD1-CG2 4.48Å; L329-V358 HydrophobicContact CD2-CG1 4.33Å; L329-V358 HydrophobicContact CD2-CG2 4.15Å; L329-V358 HydrophobicContact CG-CG1 4.25Å; L331-V358 HydrophobicContact CB-CG1 3.69Å; L331-V358 HydrophobicContact CD2-CG1 4.34Å; L331-V358 HydrophobicContact CD2-CG2 4.19Å; T348-V358 HydrophobicContact CG2-CG2 4.27Å; P355-V358 PolarHBondContact O-N 3.26Å; A356-V358 VanDerWaalsContact C-N 3.26Å; V358-M361 HydrophobicContact CB-CE 3.72Å; V358-M361 HydrophobicContact CB-CG 4.11Å; V358-M361 HydrophobicContact CG1-CE 4.36Å; V358-M361 HydrophobicContact CG1-CG 3.76Å; V358-M361 HydrophobicContact CG2-CE 3.92Å
359	D	98.6	Very high	97.1	Very high	24 Å²	24	32 Å²	32	13%	0.128	18%	0.181	C	C	.	.	S	Bend	trans	-82.5	-33.2	-174.7	-49.3	-83.7	0	0	0	112.7	K322 Y328 L329 L382	K322-D359 WeakPolarHBondContact CE-OD2 3.44Å; K322-D359 IonicContact NZ-OD1 2.95Å; K322-D359 PolarHBondContact NZ-OD1 2.75Å; K322-D359 IonicContact NZ-OD2 3.99Å; K322-D359 PolarHBondContact NZ-OD2 3.48Å; Y328-D359 VanDerWaalsContact CA-OD2 3.24Å; Y328-D359 WeakPolarHBondContact CA-OD2 3.37Å; Y328-D359 HydrophobicContact CD1-CB 4.13Å; L329-D359 PolarHBondContact N-OD2 3.16Å; L329-D359 PolarHBondContact O-N 3.31Å; D359-L382 WeakPolarHBondContact O-CD2 3.28Å
360	V	98.6	Very high	97	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	108.4	-178.6	-163	0	0	0	0	108.6	L237 L329 Y330 L331 I376 L382	L237-V360 HydrophobicContact CD1-CG1 4.14Å; L237-V360 HydrophobicContact CD1-CG2 4.21Å; L329-V360 PolarHBondContact O-N 3.5Å; L329-V360 VanDerWaalsContact O-N 3.11Å; Y330-V360 WeakPolarHBondContact CA-O 3.49Å; Y330-V360 HydrophobicContact CD2-CB 3.69Å; Y330-V360 HydrophobicContact CD2-CG1 3.6Å; Y330-V360 HydrophobicContact CD2-CG2 4.19Å; Y330-V360 HydrophobicContact CE2-CB 4.15Å; Y330-V360 HydrophobicContact CE2-CG1 3.51Å; Y330-V360 HydrophobicContact CG-CB 4.23Å; Y330-V360 HydrophobicContact CG-CG1 4.42Å; L331-V360 PolarHBondContact N-O 2.73Å; V360-I376 HydrophobicContact CG1-CG2 3.48Å; V360-I376 VanDerWaalsContact CG1-CG2 3.48Å; V360-L382 HydrophobicContact CB-CD2 4.46Å; V360-L382 HydrophobicContact CG1-CD2 4.38Å; V360-L382 HydrophobicContact CG2-CD2 3.92Å
361	M	98.3	Very high	96.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.5	169.7	-64.8	-169.6	-173.9	0	0	109.3	I215 V217 T348 P355 V358 I376 A377	I215-M361 HydrophobicContact CG2-CE 4.37Å; I215-M361 HydrophobicContact CG2-SD 3.32Å; I215-M361 WeakPolarHBondContact CG2-SD 3.4Å; V217-M361 HydrophobicContact CG1-CE 4.39Å; V217-M361 HydrophobicContact CG1-SD 4.45Å; T348-M361 HydrophobicContact CG2-CE 3.64Å; T348-M361 HydrophobicContact CG2-SD 4.44Å; P355-M361 VanDerWaalsContact CA-CE 3.46Å; P355-M361 HydrophobicContact CB-CE 3.62Å; P355-M361 WeakPolarHBondContact O-CE 3.38Å; V358-M361 HydrophobicContact CB-CE 3.72Å; V358-M361 HydrophobicContact CB-CG 4.11Å; V358-M361 HydrophobicContact CG1-CE 4.36Å; V358-M361 HydrophobicContact CG1-CG 3.76Å; V358-M361 HydrophobicContact CG2-CE 3.92Å; M361-I376 CarbonylContact O-C 3.52Å; M361-I376 VanDerWaalsContact O-CA 3.25Å; M361-I376 WeakPolarHBondContact O-CA 3.32Å; M361-A377 PolarHBondContact N-O 2.97Å; M361-A377 PolarHBondContact O-N 2.94Å
362	M	98.1	Very high	96.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	148.3	170.9	179.1	-86.2	-172	0	0	109.7	G226 T229 N230 Y330 L331 D332 E333 A334 Y375 I376	G226-M362 WeakPolarHBondContact O-CE 3.48Å; T229-M362 HydrophobicContact CG2-CE 3.78Å; T229-M362 HydrophobicContact CG2-CG 3.55Å; T229-M362 HydrophobicContact CG2-SD 4.49Å; N230-M362 WeakPolarHBondContact OD1-CG 3.46Å; N230-M362 PolarHBondContact OD1-SD 3.44Å; Y330-M362 HydrophobicContact CE1-CB 3.72Å; Y330-M362 HydrophobicContact CE1-CG 4.43Å; L331-M362 PolarHBondContact O-N 3.29Å; D332-M362 HydrophobicContact CB-SD 4.35Å; D332-M362 VanDerWaalsContact OD1-SD 3.38Å; E333-M362 WeakPolarHBondContact CB-O 3.36Å; E333-M362 PolarHBondContact N-O 3.13Å; A334-M362 HydrophobicContact CB-SD 4.32Å; M362-Y375 WeakPolarHBondContact CA-O 3.37Å; M362-I376 HydrophobicContact CB-CG1 4.39Å; M362-I376 HydrophobicContact CG-CG1 4.42Å
363	G	97.9	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	176.7	166.2	0	0	0	0	0	112.6	G374 Y375	G363-G374 CarbonylContact O-C 3.55Å; G363-G374 WeakPolarHBondContact O-CA 3.5Å; G363-Y375 VanDerWaalsContact CA-CZ 3.46Å; G363-Y375 PolarHBondContact N-O 3.47Å; G363-Y375 VanDerWaalsContact N-O 3.13Å; G363-Y375 PolarHBondContact O-N 2.92Å
364	T	97.8	Very high	96.9	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.6	-177.8	-170.5	0	0	0	0	112.4	A334 T366 K367 G373	A334-T364 HydrophobicContact CB-CG2 3.65Å; T364-T366 VanDerWaalsContact C-N 3.34Å; T364-T366 WeakPolarHBondContact CG2-OG1 3.39Å; T364-T366 WeakPolarHBondContact OG1-CG2 3.35Å; T364-T366 PolarHBondContact OG1-N 2.66Å; T364-T366 PolarHBondContact OG1-OG1 2.91Å; T364-K367 HydrophobicContact CG2-CB 4.39Å; T364-K367 HydrophobicContact CG2-CD 4.2Å; T364-K367 HydrophobicContact CG2-CG 3.9Å; T364-G373 PolarHBondContact OG1-O 3.06Å
365	F	97.9	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-86.6	-6.8	171.9	-52.4	-50.5	0	0	0	112.8	L207 V211 I222 K367 F369 G370 A371 G373 Y375 M399 V407 M411	L207-F365 HydrophobicContact CD2-CE2 4.24Å; L207-F365 HydrophobicContact CD2-CZ 4.32Å; V211-F365 HydrophobicContact CG2-CE1 4.15Å; V211-F365 HydrophobicContact CG2-CZ 3.85Å; I222-F365 HydrophobicContact CB-CE2 4.44Å; I222-F365 HydrophobicContact CG2-CE2 4.01Å; I222-F365 HydrophobicContact CG2-CZ 4.07Å; F365-K367 PolarHBondContact O-N 2.91Å; F365-F369 HydrophobicContact CB-CB 4.34Å; F365-F369 AromaticContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CE2 4.19Å; F365-F369 HydrophobicContact CD1-CG 4.15Å; F365-G370 PolarHBondContact O-N 3.17Å; F365-A371 HydrophobicContact CB-CB 4.37Å; F365-A371 CarbonylContact O-C 3.54Å; F365-A371 PolarHBondContact O-N 3.42Å; F365-G373 PolarHBondContact N-O 2.94Å; F365-Y375 HydrophobicContact CD1-CD1 4.41Å; F365-Y375 AromaticContact CE1-CD1 3.57Å; F365-Y375 HydrophobicContact CE1-CD1 3.57Å; F365-Y375 HydrophobicContact CE1-CE1 4.15Å; F365-Y375 HydrophobicContact CE2-CD1 4.5Å; F365-Y375 AromaticContact CZ-CD1 3.63Å; F365-Y375 HydrophobicContact CZ-CD1 3.63Å; F365-Y375 HydrophobicContact CZ-CG 4.28Å; F365-M399 HydrophobicContact CD2-CE 3.93Å; F365-M399 HydrophobicContact CE2-CE 3.95Å; F365-V407 HydrophobicContact CB-CG1 4.47Å; F365-V407 HydrophobicContact CB-CG2 3.66Å; F365-V407 HydrophobicContact CD1-CB 4.48Å; F365-V407 HydrophobicContact CD1-CG1 3.41Å; F365-V407 VanDerWaalsContact CD1-CG1 3.41Å; F365-V407 HydrophobicContact CD1-CG2 4.15Å; F365-V407 HydrophobicContact CD2-CG1 4.22Å; F365-V407 HydrophobicContact CD2-CG2 3.97Å; F365-V407 HydrophobicContact CE1-CG1 3.53Å; F365-V407 HydrophobicContact CE2-CG1 4.32Å; F365-V407 HydrophobicContact CG-CB 4.42Å; F365-V407 HydrophobicContact CG-CG1 3.78Å; F365-V407 HydrophobicContact CG-CG2 3.66Å; F365-V407 HydrophobicContact CZ-CG1 4Å; F365-M411 HydrophobicContact CE1-CE 4.08Å
366	T	96.4	Very high	97.1	Very high	70 Å²	70	15.4 Å²	15.4	43%	0.429	11%	0.106	S	C	.	.	S	Bend	trans	-74.4	-1.5	-176.6	61.2	0	0	0	0	115.8	T364 A371	T364-T366 VanDerWaalsContact C-N 3.34Å; T364-T366 WeakPolarHBondContact CG2-OG1 3.39Å; T364-T366 WeakPolarHBondContact OG1-CG2 3.35Å; T364-T366 PolarHBondContact OG1-N 2.66Å; T364-T366 PolarHBondContact OG1-OG1 2.91Å; T366-A371 WeakPolarHBondContact CA-O 3.44Å
367	K	96.9	Very high	97.2	Very high	24 Å²	24	12.1 Å²	12.1	10%	0.104	8%	0.079	C	C	.	.	S	Bend	trans	-123.6	-100	-173.5	-56.9	-168.3	-149.2	146.1	0	111.1	Y164 Y166 A334 H335 T364 F365 F369 G370	Y164-K367 HydrophobicContact CD2-CD 3.67Å; Y164-K367 HydrophobicContact CD2-CG 4Å; Y164-K367 HydrophobicContact CE2-CD 4.4Å; Y164-K367 HydrophobicContact CG-CD 3.82Å; Y164-K367 HydrophobicContact CG-CG 4.15Å; Y164-K367 CarbonylContact O-C 3.57Å; Y164-K367 WeakPolarHBondContact O-CA 3.28Å; Y164-K367 WeakPolarHBondContact O-CB 3.38Å; Y166-K367 HydrophobicContact CD2-CB 4.11Å; Y166-K367 HydrophobicContact CE2-CB 4.08Å; Y166-K367 HydrophobicContact CE2-CD 4.24Å; A334-K367 VanDerWaalsContact O-CD 3.23Å; A334-K367 WeakPolarHBondContact O-CD 3.17Å; A334-K367 WeakPolarHBondContact O-CE 3.37Å; A334-K367 PolarHBondContact O-NZ 2.88Å; H335-K367 PolarHBondContact CD2-NZ 2.99Å; H335-K367 PolarHBondContact CE1-NZ 3.27Å; H335-K367 VanDerWaalsContact CE1-NZ 3.28Å; H335-K367 PolarHBondContact NE2-NZ 2.97Å; T364-K367 HydrophobicContact CG2-CB 4.39Å; T364-K367 HydrophobicContact CG2-CD 4.2Å; T364-K367 HydrophobicContact CG2-CG 3.9Å; F365-K367 PolarHBondContact O-N 2.91Å; K367-F369 PolarHBondContact O-N 3.32Å; K367-F369 VanDerWaalsContact O-N 3.12Å; K367-G370 PolarHBondContact O-N 3.26Å
368	S	96.8	Very high	97.2	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.007	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.4	-177.3	-47.4	0	0	0	0	113.8	Y166 F169 I337	Y166-S368 WeakPolarHBondContact CD2-OG 3.39Å; F169-S368 WeakPolarHBondContact CD2-O 3.36Å; I337-S368 VanDerWaalsContact O-CB 3.28Å; I337-S368 WeakPolarHBondContact O-CB 3.38Å; I337-S368 PolarHBondContact O-OG 3.49Å
369	F	95.8	Very high	97.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.2	-179.4	-54.5	-86.9	0	0	0	114.5	F214 I337 F365 K367 A371 A410 M411 I414	F214-F369 HydrophobicContact CD1-CZ 4.4Å; F214-F369 HydrophobicContact CE1-CE1 4.42Å; F214-F369 AromaticContact CE1-CZ 3.95Å; F214-F369 HydrophobicContact CE1-CZ 3.95Å; I337-F369 HydrophobicContact CG1-CE2 3.97Å; I337-F369 HydrophobicContact CG1-CZ 4.01Å; I337-F369 HydrophobicContact CG2-CE2 3.99Å; F365-F369 HydrophobicContact CB-CB 4.34Å; F365-F369 AromaticContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CE2 4.19Å; F365-F369 HydrophobicContact CD1-CG 4.15Å; K367-F369 PolarHBondContact O-N 3.32Å; K367-F369 VanDerWaalsContact O-N 3.12Å; F369-A371 VanDerWaalsContact C-N 3.25Å; F369-A371 PolarHBondContact O-N 3.12Å; F369-A410 HydrophobicContact CB-CB 4.41Å; F369-A410 HydrophobicContact CD1-CB 4.24Å; F369-M411 HydrophobicContact CD1-CB 4.47Å; F369-M411 HydrophobicContact CD1-CE 4.22Å; F369-M411 HydrophobicContact CE1-CB 4.15Å; F369-M411 HydrophobicContact CE1-CE 3.39Å; F369-M411 HydrophobicContact CE1-CG 4.33Å; F369-M411 HydrophobicContact CE2-CE 4.48Å; F369-M411 HydrophobicContact CZ-CE 3.55Å; F369-I414 HydrophobicContact CD1-CD1 3.87Å; F369-I414 HydrophobicContact CE1-CD1 3.59Å; F369-I414 HydrophobicContact CZ-CD1 4.48Å
370	G	93.6	Very high	97.2	Very high	18 Å²	18	19.7 Å²	19.7	19%	0.186	11%	0.106	C	C	.	.	S	Bend	trans	65	16.1	173.5	0	0	0	0	0	117.1	F365 K367 Q406	F365-G370 PolarHBondContact O-N 3.17Å; K367-G370 PolarHBondContact O-N 3.26Å; G370-Q406 PolarHBondContact O-NE2 2.9Å
371	A	94.6	Very high	97.1	Very high	18 Å²	18	24.4 Å²	24.4	15%	0.149	13%	0.128	C	C	.	.	S	Bend	trans	-121.9	-145.8	-168.9	0	0	0	0	0	111.6	F365 T366 F369 I403 Q406 V407	F365-A371 HydrophobicContact CB-CB 4.37Å; F365-A371 CarbonylContact O-C 3.54Å; F365-A371 PolarHBondContact O-N 3.42Å; T366-A371 WeakPolarHBondContact CA-O 3.44Å; F369-A371 VanDerWaalsContact C-N 3.25Å; F369-A371 PolarHBondContact O-N 3.12Å; A371-I403 HydrophobicContact CB-CG2 4.32Å; A371-Q406 HydrophobicContact CB-CB 4.49Å; A371-Q406 HydrophobicContact CB-CG 4.24Å; A371-V407 HydrophobicContact CB-CG2 3.53Å
372	A	95.3	Very high	97.1	Very high	37 Å²	37	26 Å²	26	31%	0.306	14%	0.136	S	C	.	.	S	Bend	trans	-133.2	155.5	178.3	0	0	0	0	0	112.9	I403	A372-I403 HydrophobicContact CB-CD1 4.39Å; A372-I403 HydrophobicContact CB-CG2 3.98Å; A372-I403 WeakPolarHBondContact O-CG2 3.48Å
373	G	96.3	Very high	97	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	14%	0.135	C	C	.	.			trans	91.8	-157.8	178.8	0	0	0	0	0	115.4	F223 G224 T364 F365	F223-G373 CarbonylContact O-C 3.53Å; F223-G373 WeakPolarHBondContact O-CA 3.4Å; G224-G373 WeakPolarHBondContact O-CA 3.34Å; T364-G373 PolarHBondContact OG1-O 3.06Å; F365-G373 PolarHBondContact N-O 2.94Å
374	G	97.6	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-172.5	178.6	0	0	0	0	0	112.3	I222 F223 G363	I222-G374 WeakPolarHBondContact CA-O 3.46Å; F223-G374 PolarHBondContact N-O 3.16Å; F223-G374 PolarHBondContact O-N 2.7Å; G363-G374 CarbonylContact O-C 3.55Å; G363-G374 WeakPolarHBondContact O-CA 3.5Å
375	Y	98.3	Very high	96.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	161.2	-175.4	65.2	-93.7	0	0	0	112	V211 I215 M221 T229 I337 M362 G363 F365 A377	V211-Y375 HydrophobicContact CG1-CD1 4.17Å; V211-Y375 HydrophobicContact CG1-CD2 3.8Å; V211-Y375 HydrophobicContact CG1-CE2 4.31Å; V211-Y375 HydrophobicContact CG1-CG 3.74Å; I215-Y375 HydrophobicContact CD1-CD2 4.01Å; I215-Y375 HydrophobicContact CD1-CE1 4.46Å; I215-Y375 HydrophobicContact CD1-CE2 3.27Å; M221-Y375 CarbonylContact O-C 3.57Å; M221-Y375 WeakPolarHBondContact O-CA 3.41Å; T229-Y375 WeakPolarHBondContact CG2-O 3.3Å; I337-Y375 WeakPolarHBondContact CG1-OH 3.37Å; M362-Y375 WeakPolarHBondContact CA-O 3.37Å; G363-Y375 VanDerWaalsContact CA-CZ 3.46Å; G363-Y375 PolarHBondContact N-O 3.47Å; G363-Y375 VanDerWaalsContact N-O 3.13Å; G363-Y375 PolarHBondContact O-N 2.92Å; F365-Y375 HydrophobicContact CD1-CD1 4.41Å; F365-Y375 AromaticContact CE1-CD1 3.57Å; F365-Y375 HydrophobicContact CE1-CD1 3.57Å; F365-Y375 HydrophobicContact CE1-CE1 4.15Å; F365-Y375 HydrophobicContact CE2-CD1 4.5Å; F365-Y375 AromaticContact CZ-CD1 3.63Å; F365-Y375 HydrophobicContact CZ-CD1 3.63Å; F365-Y375 HydrophobicContact CZ-CG 4.28Å; Y375-A377 HydrophobicContact CD2-CB 4Å; Y375-A377 HydrophobicContact CE2-CB 4.25Å
376	I	98.6	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.8	155.6	-65.2	174.5	0	0	0	107.4	S220 M221 F223 T229 N233 V360 M361 M362 M383 L386	S220-I376 CarbonylContact C-O 3.57Å; S220-I376 VanDerWaalsContact CA-O 3.24Å; S220-I376 WeakPolarHBondContact CA-O 3.35Å; S220-I376 WeakPolarHBondContact CB-O 3.49Å; M221-I376 PolarHBondContact N-O 3.3Å; M221-I376 PolarHBondContact O-N 3Å; F223-I376 HydrophobicContact CE2-CB 3.99Å; F223-I376 HydrophobicContact CE2-CD1 4.06Å; F223-I376 HydrophobicContact CE2-CG1 3.83Å; F223-I376 HydrophobicContact CZ-CD1 4.41Å; T229-I376 HydrophobicContact CG2-CD1 4.36Å; T229-I376 HydrophobicContact CG2-CG1 3.82Å; N233-I376 HydrophobicContact CB-CD1 3.44Å; N233-I376 VanDerWaalsContact CB-CD1 3.44Å; V360-I376 HydrophobicContact CG1-CG2 3.48Å; V360-I376 VanDerWaalsContact CG1-CG2 3.48Å; M361-I376 CarbonylContact O-C 3.52Å; M361-I376 VanDerWaalsContact O-CA 3.25Å; M361-I376 WeakPolarHBondContact O-CA 3.32Å; M362-I376 HydrophobicContact CB-CG1 4.39Å; M362-I376 HydrophobicContact CG-CG1 4.42Å; I376-M383 HydrophobicContact CG2-CE 3.96Å; I376-M383 HydrophobicContact CG2-SD 4.4Å; I376-L386 HydrophobicContact CB-CD1 4.4Å; I376-L386 HydrophobicContact CD1-CD1 4.29Å; I376-L386 HydrophobicContact CG2-CD1 3.93Å
377	A	98.4	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157	-178.9	0	0	0	0	0	111.2	V211 I215 V217 S219 M361 Y375	V211-A377 HydrophobicContact CG1-CB 4.42Å; I215-A377 HydrophobicContact CD1-CB 3.9Å; V217-A377 HydrophobicContact CG2-CB 3.73Å; S219-A377 WeakPolarHBondContact O-CA 3.43Å; M361-A377 PolarHBondContact N-O 2.97Å; M361-A377 PolarHBondContact O-N 2.94Å; Y375-A377 HydrophobicContact CD2-CB 4Å; Y375-A377 HydrophobicContact CE2-CB 4.25Å
378	G	97.9	Very high	96.4	Very high	4 Å²	4	36.3 Å²	36.3	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-142	-176	0	0	0	0	0	111.8	E218 S219	E218-G378 PolarHBondContact N-O 2.96Å; S219-G378 PolarHBondContact N-O 2.86Å; S219-G378 VanDerWaalsContact N-O 3.09Å; S219-G378 PolarHBondContact O-N 2.89Å
379	R	97.9	Very high	96.2	Very high	118 Å²	118	41 Å²	41	45%	0.445	20%	0.201	S	C	.	.			trans	-71.7	152.5	177.5	-70.6	-169.3	-76.4	119.5	-7.7	113.3	E218 E381 L382 M383	E218-R379 VanDerWaalsContact OE2-CA 3.23Å; E218-R379 WeakPolarHBondContact OE2-CA 3.49Å; E218-R379 WeakPolarHBondContact OE2-CB 3.16Å; R379-E381 WeakPolarHBondContact CB-OE2 3.13Å; R379-E381 IonicContact CZ-OE2 3.8Å; R379-E381 IonicContact NH1-OE2 2.8Å; R379-E381 PolarHBondContact NH1-OE2 3.03Å; R379-E381 PolarHBondContact O-N 2.84Å; R379-L382 WeakPolarHBondContact O-CB 3.35Å; R379-L382 PolarHBondContact O-N 3.1Å; R379-M383 PolarHBondContact O-N 3.38Å
380	K	97.7	Very high	96.1	Very high	106 Å²	106	41 Å²	41	46%	0.461	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-43.1	-175.4	-172.7	171.3	-179	-77.4	0	112.5	E218 L382 M383 E384	E218-K380 HydrophobicContact CB-CB 4.3Å; E218-K380 PolarHBondContact OE2-N 3.35Å; K380-L382 PolarHBondContact O-N 3.28Å; K380-M383 PolarHBondContact O-N 3Å; K380-M383 VanDerWaalsContact O-N 3.1Å; K380-E384 WeakPolarHBondContact CE-OE1 3.49Å; K380-E384 IonicContact NZ-OE1 2.62Å; K380-E384 PolarHBondContact NZ-OE1 3.29Å; K380-E384 PolarHBondContact O-N 2.9Å
381	E	97.6	Very high	96	Very high	106 Å²	106	44.1 Å²	44.1	50%	0.495	21%	0.21	S	C	.	.	H	α-helix	trans	-67.5	-28.2	-177.8	-37.4	92	166.7	0	0	111.8	R379 Y385	R379-E381 WeakPolarHBondContact CB-OE2 3.13Å; R379-E381 IonicContact CZ-OE2 3.8Å; R379-E381 IonicContact NH1-OE2 2.8Å; R379-E381 PolarHBondContact NH1-OE2 3.03Å; R379-E381 PolarHBondContact O-N 2.84Å; E381-Y385 VanDerWaalsContact O-CB 3.27Å; E381-Y385 WeakPolarHBondContact O-CB 3.38Å; E381-Y385 PolarHBondContact O-N 3.34Å
382	L	97.3	Very high	95.9	Very high	34 Å²	34	43.5 Å²	43.5	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-39.5	173.9	178.5	66.6	0	0	0	111.5	L237 D359 V360 R379 K380 L386	L237-L382 HydrophobicContact CD2-CD1 3.65Å; D359-L382 WeakPolarHBondContact O-CD2 3.28Å; V360-L382 HydrophobicContact CB-CD2 4.46Å; V360-L382 HydrophobicContact CG1-CD2 4.38Å; V360-L382 HydrophobicContact CG2-CD2 3.92Å; R379-L382 WeakPolarHBondContact O-CB 3.35Å; R379-L382 PolarHBondContact O-N 3.1Å; K380-L382 PolarHBondContact O-N 3.28Å; L382-L386 HydrophobicContact CD1-CD1 4.43Å; L382-L386 HydrophobicContact CG-CD1 4.25Å; L382-L386 WeakPolarHBondContact O-CB 3.35Å; L382-L386 WeakPolarHBondContact O-CG 3.05Å; L382-L386 PolarHBondContact O-N 3.27Å
383	M	97.4	Very high	95.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.9	-38.8	177.7	-62.3	-48	113.8	0	0	111.8	M221 I376 R379 K380 Y385 L386 R387	M221-M383 HydrophobicContact CB-SD 4.09Å; I376-M383 HydrophobicContact CG2-CE 3.96Å; I376-M383 HydrophobicContact CG2-SD 4.4Å; R379-M383 PolarHBondContact O-N 3.38Å; K380-M383 PolarHBondContact O-N 3Å; K380-M383 VanDerWaalsContact O-N 3.1Å; M383-Y385 VanDerWaalsContact C-N 3.33Å; M383-Y385 PolarHBondContact O-N 2.99Å; M383-L386 HydrophobicContact CE-CD1 4.23Å; M383-L386 PolarHBondContact O-N 3.06Å; M383-L386 HydrophobicContact SD-CD1 4.35Å; M383-R387 WeakPolarHBondContact O-CB 3.32Å; M383-R387 WeakPolarHBondContact O-CG 3.46Å; M383-R387 PolarHBondContact O-N 2.86Å
384	E	95.3	Very high	95.3	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.421	20%	0.202	S	C	.	.	H	α-helix	trans	-63.6	-38.9	174	-69.9	172.5	170.9	0	0	111.9	K380 S388	K380-E384 WeakPolarHBondContact CE-OE1 3.49Å; K380-E384 IonicContact NZ-OE1 2.62Å; K380-E384 PolarHBondContact NZ-OE1 3.29Å; K380-E384 PolarHBondContact O-N 2.9Å; E384-S388 PolarHBondContact O-OG 3.07Å
385	Y	96.4	Very high	95	Very high	89 Å²	89	52 Å²	52	35%	0.349	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-47.6	170.9	-178.1	-98.8	0	0	0	112.3	A236 E381 M383 R387 S388 H389	A236-Y385 HydrophobicContact CB-CE1 4.32Å; A236-Y385 WeakPolarHBondContact O-CE1 3.21Å; A236-Y385 PolarHBondContact O-OH 2.64Å; E381-Y385 VanDerWaalsContact O-CB 3.27Å; E381-Y385 WeakPolarHBondContact O-CB 3.38Å; E381-Y385 PolarHBondContact O-N 3.34Å; M383-Y385 VanDerWaalsContact C-N 3.33Å; M383-Y385 PolarHBondContact O-N 2.99Å; Y385-R387 PolarHBondContact O-N 2.81Å; Y385-S388 PolarHBondContact O-N 3.43Å; Y385-S388 PolarHBondContact O-OG 2.95Å; Y385-H389 HydrophobicContact CD1-CB 4.49Å; Y385-H389 AromaticContact CD2-CE1 3.69Å; Y385-H389 AromaticContact CD2-ND1 3.53Å; Y385-H389 HydrophobicContact CE1-CB 4.01Å; Y385-H389 HydrophobicContact CE2-CB 4.21Å; Y385-H389 AromaticContact CE2-CD2 3.55Å; Y385-H389 AromaticContact CE2-CE1 3.48Å; Y385-H389 VanDerWaalsContact CE2-CE1 3.48Å; Y385-H389 WeakPolarHBondContact CE2-CE1 3.44Å; Y385-H389 AromaticContact CE2-CG 3.49Å; Y385-H389 VanDerWaalsContact CE2-CG 3.49Å; Y385-H389 AromaticContact CE2-ND1 3.44Å; Y385-H389 WeakPolarHBondContact CE2-ND1 3.34Å; Y385-H389 AromaticContact CE2-NE2 3.52Å; Y385-H389 AromaticContact CZ-CD2 3.72Å; Y385-H389 AromaticContact CZ-CG 3.59Å; Y385-H389 AromaticContact CZ-ND1 4Å; Y385-H389 WeakPolarHBondContact O-CB 3.26Å; Y385-H389 PolarHBondContact O-N 3.38Å; Y385-H389 PolarHBondContact O-ND1 3.28Å; Y385-H389 VanDerWaalsContact O-ND1 3.09Å
386	L	96.1	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-38.8	179.8	-76.9	172.6	0	0	0	113	M221 N233 A236 L237 I376 L382 M383 S388 H389 S390	M221-L386 HydrophobicContact SD-CB 4.32Å; N233-L386 HydrophobicContact CB-CD2 4.38Å; A236-L386 HydrophobicContact CB-CD2 4.15Å; L237-L386 HydrophobicContact CD2-CD1 4.5Å; L237-L386 HydrophobicContact CD2-CD2 3.96Å; L237-L386 HydrophobicContact CD2-CG 4.41Å; I376-L386 HydrophobicContact CB-CD1 4.4Å; I376-L386 HydrophobicContact CD1-CD1 4.29Å; I376-L386 HydrophobicContact CG2-CD1 3.93Å; L382-L386 HydrophobicContact CD1-CD1 4.43Å; L382-L386 HydrophobicContact CG-CD1 4.25Å; L382-L386 WeakPolarHBondContact O-CB 3.35Å; L382-L386 WeakPolarHBondContact O-CG 3.05Å; L382-L386 PolarHBondContact O-N 3.27Å; M383-L386 HydrophobicContact CE-CD1 4.23Å; M383-L386 PolarHBondContact O-N 3.06Å; M383-L386 HydrophobicContact SD-CD1 4.35Å; L386-S388 PolarHBondContact O-N 3.16Å; L386-S388 VanDerWaalsContact O-N 3.14Å; L386-H389 PolarHBondContact O-N 2.98Å; L386-S390 WeakPolarHBondContact O-CB 3.16Å; L386-S390 PolarHBondContact O-N 2.95Å
387	R	93.1	Very high	94.3	Very high	83 Å²	83	57.1 Å²	57.1	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-23.8	175.2	-77.7	179.8	-177.7	117.8	1.8	113.6	E208 S220 M221 M383 Y385 A393	E208-R387 IonicContact OE2-CZ 3.55Å; E208-R387 IonicContact OE2-NE 2.66Å; E208-R387 IonicContact OE2-NH2 3.58Å; E208-R387 PolarHBondContact OE2-NH2 3.38Å; S220-R387 PolarHBondContact O-NH2 3.48Å; M221-R387 HydrophobicContact CE-CG 3.94Å; M221-R387 HydrophobicContact CG-CG 4.44Å; M221-R387 HydrophobicContact SD-CB 4.37Å; M221-R387 HydrophobicContact SD-CG 3.64Å; M383-R387 WeakPolarHBondContact O-CB 3.32Å; M383-R387 WeakPolarHBondContact O-CG 3.46Å; M383-R387 PolarHBondContact O-N 2.86Å; Y385-R387 PolarHBondContact O-N 2.81Å; R387-A393 WeakPolarHBondContact O-CB 3.4Å
388	S	91.9	Very high	94.1	Very high	56 Å²	56	57.7 Å²	57.7	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-107.1	-19.1	-177.8	48.6	0	0	0	0	114.7	E384 Y385 L386	E384-S388 PolarHBondContact O-OG 3.07Å; Y385-S388 PolarHBondContact O-N 3.43Å; Y385-S388 PolarHBondContact O-OG 2.95Å; L386-S388 PolarHBondContact O-N 3.16Å; L386-S388 VanDerWaalsContact O-N 3.14Å
389	H	93.4	Very high	93.9	Very high	100 Å²	100	57.8 Å²	57.8	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-123.1	-8.3	-172.9	-64.4	74.8	0	0	0	115	A236 Y385 L386	A236-H389 HydrophobicContact CB-CB 4.34Å; Y385-H389 HydrophobicContact CD1-CB 4.49Å; Y385-H389 AromaticContact CD2-CE1 3.69Å; Y385-H389 AromaticContact CD2-ND1 3.53Å; Y385-H389 HydrophobicContact CE1-CB 4.01Å; Y385-H389 HydrophobicContact CE2-CB 4.21Å; Y385-H389 AromaticContact CE2-CD2 3.55Å; Y385-H389 AromaticContact CE2-CE1 3.48Å; Y385-H389 VanDerWaalsContact CE2-CE1 3.48Å; Y385-H389 WeakPolarHBondContact CE2-CE1 3.44Å; Y385-H389 AromaticContact CE2-CG 3.49Å; Y385-H389 VanDerWaalsContact CE2-CG 3.49Å; Y385-H389 AromaticContact CE2-ND1 3.44Å; Y385-H389 WeakPolarHBondContact CE2-ND1 3.34Å; Y385-H389 AromaticContact CE2-NE2 3.52Å; Y385-H389 AromaticContact CZ-CD2 3.72Å; Y385-H389 AromaticContact CZ-CG 3.59Å; Y385-H389 AromaticContact CZ-ND1 4Å; Y385-H389 WeakPolarHBondContact O-CB 3.26Å; Y385-H389 PolarHBondContact O-N 3.38Å; Y385-H389 PolarHBondContact O-ND1 3.28Å; Y385-H389 VanDerWaalsContact O-ND1 3.09Å; L386-H389 PolarHBondContact O-N 2.98Å
390	S	92.5	Very high	93.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.266	C	S	.	.			trans	-80.8	133.9	-179	177.2	0	0	0	0	112.7	N233 L386 S392 A393 V394	N233-S390 VanDerWaalsContact OD1-CB 3.27Å; N233-S390 WeakPolarHBondContact OD1-CB 3.42Å; N233-S390 PolarHBondContact OD1-OG 2.82Å; L386-S390 WeakPolarHBondContact O-CB 3.16Å; L386-S390 PolarHBondContact O-N 2.95Å; S390-S392 PolarHBondContact O-N 2.53Å; S390-S392 VanDerWaalsContact O-N 3.13Å; S390-S392 PolarHBondContact OG-N 2.79Å; S390-A393 WeakPolarHBondContact O-CA 3.41Å; S390-A393 WeakPolarHBondContact O-CB 3.34Å; S390-A393 PolarHBondContact O-N 3.24Å; S390-V394 WeakPolarHBondContact O-CG2 3.34Å; S390-V394 PolarHBondContact O-N 2.72Å
391	H	92.6	Very high	93.7	Very high	82 Å²	82	48.6 Å²	48.6	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-55.6	-29.3	168.7	-56.3	90.5	0	0	0	112.4	M232 Y395	M232-H391 HydrophobicContact CB-CB 4.18Å; M232-H391 PolarHBondContact O-ND1 2.83Å; M232-H391 VanDerWaalsContact O-ND1 3.14Å; M232-H391 HydrophobicContact SD-CB 4.4Å; H391-Y395 HydrophobicContact CB-CD2 4.13Å; H391-Y395 WeakPolarHBondContact O-CB 3.48Å; H391-Y395 PolarHBondContact O-N 3.28Å
392	S	91.3	Very high	93.6	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-76.5	-21.5	174.3	-59.9	0	0	0	0	114.2	M232 S390 A396	M232-S392 WeakPolarHBondContact CB-OG 3.38Å; S390-S392 PolarHBondContact O-N 2.53Å; S390-S392 VanDerWaalsContact O-N 3.13Å; S390-S392 PolarHBondContact OG-N 2.79Å; S392-A396 WeakPolarHBondContact O-CB 3.34Å
393	A	88.6	Confident	93.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-78.9	-43.4	172	0	0	0	0	0	110.9	Q196 M221 R387 S390	Q196-A393 PolarHBondContact N-O 3.37Å; M221-A393 HydrophobicContact CE-CB 3.74Å; R387-A393 WeakPolarHBondContact O-CB 3.4Å; S390-A393 WeakPolarHBondContact O-CA 3.41Å; S390-A393 WeakPolarHBondContact O-CB 3.34Å; S390-A393 PolarHBondContact O-N 3.24Å
394	V	91.1	Very high	93.5	Very high	43 Å²	43	44.8 Å²	44.8	26%	0.261	23%	0.229	S	C	.	.	H	α-helix	trans	-79.4	-38	-172.5	-174	0	0	0	0	113	T194 S390	T194-V394 WeakPolarHBondContact CG2-O 3.16Å; S390-V394 WeakPolarHBondContact O-CG2 3.34Å; S390-V394 PolarHBondContact O-N 2.72Å
395	Y	91.1	Very high	93.6	Very high	174 Å²	174	41 Å²	41	68%	0.682	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-14.3	-166.6	-54.8	-65.8	0	0	0	115.6	H391	H391-Y395 HydrophobicContact CB-CD2 4.13Å; H391-Y395 WeakPolarHBondContact O-CB 3.48Å; H391-Y395 PolarHBondContact O-N 3.28Å
396	A	91.3	Very high	93.5	Very high	39 Å²	39	39.4 Å²	39.4	32%	0.322	21%	0.207	S	C	.	.	S	Bend	trans	-93.2	137.3	178.9	0	0	0	0	0	111.1	T194 S392	T194-A396 WeakPolarHBondContact CA-O 3.46Å; S392-A396 WeakPolarHBondContact O-CB 3.34Å
397	S	91.6	Very high	93.5	Very high	70 Å²	70	39.4 Å²	39.4	49%	0.49	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-57.3	142	171.2	-174	0	0	0	0	110.8
398	A	93.5	Very high	93.7	Very high	11 Å²	11	35.6 Å²	35.6	9%	0.091	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-59.7	157.4	175.1	0	0	0	0	0	112.2	V191 S193 R195 G199 H204	V191-A398 HydrophobicContact CB-CB 4.37Å; V191-A398 HydrophobicContact CG2-CB 4.39Å; S193-A398 PolarHBondContact O-N 3.36Å; R195-A398 HydrophobicContact CG-CB 4.03Å; G199-A398 WeakPolarHBondContact O-CB 3.47Å; H204-A398 WeakPolarHBondContact CE1-CB 3.4Å
399	M	95.1	Very high	93.9	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.034	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-61.8	143.8	179	-169.9	173.6	-67.5	0	0	111	H204 L207 I222 F223 F365 I403	H204-M399 PolarHBondContact NE2-O 2.99Å; L207-M399 HydrophobicContact CD2-SD 4.34Å; I222-M399 HydrophobicContact CB-CE 4.17Å; I222-M399 HydrophobicContact CD1-CB 4.42Å; I222-M399 HydrophobicContact CD1-CE 4.33Å; I222-M399 HydrophobicContact CD1-SD 4.17Å; F223-M399 WeakPolarHBondContact O-CE 3.31Å; F365-M399 HydrophobicContact CD2-CE 3.93Å; F365-M399 HydrophobicContact CE2-CE 3.95Å; M399-I403 HydrophobicContact CG-CB 4.31Å; M399-I403 HydrophobicContact CG-CG2 4.13Å; M399-I403 HydrophobicContact SD-CG2 4Å
400	S	95.6	Very high	94	Very high	30 Å²	30	30.6 Å²	30.6	21%	0.21	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-58.5	133.7	172.7	170.1	0	0	0	0	110.4	A189 A402 I403 T404	A189-S400 WeakPolarHBondContact O-CB 3.29Å; A189-S400 PolarHBondContact O-OG 3.36Å; S400-A402 PolarHBondContact O-N 3.01Å; S400-A402 PolarHBondContact OG-N 3.46Å; S400-I403 PolarHBondContact O-N 2.92Å; S400-T404 PolarHBondContact O-N 3.31Å; S400-T404 PolarHBondContact O-OG1 2.9Å
401	P	95.5	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.4	-34.6	174.4	-25.6	34.8	0	0	0	113	Y187 V191 L201 I203 T404 E405	Y187-P401 HydrophobicContact CD2-CB 4.2Å; Y187-P401 HydrophobicContact CG-CB 4.18Å; Y187-P401 HydrophobicContact CG-CG 4.35Å; V191-P401 HydrophobicContact CG2-CG 4.02Å; L201-P401 HydrophobicContact CD1-CG 4.26Å; I203-P401 HydrophobicContact CD1-CB 4.36Å; I203-P401 HydrophobicContact CG2-CB 4.49Å; P401-T404 PolarHBondContact O-N 3Å; P401-E405 PolarHBondContact O-N 3.42Å
402	A	95.1	Very high	94.3	Very high	17 Å²	17	29.5 Å²	29.5	14%	0.14	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-47.7	177.2	0	0	0	0	0	112.2	V180 V184 S400 T404 E405 Q406	V180-A402 HydrophobicContact CG1-CB 4Å; V184-A402 HydrophobicContact CG2-CB 3.52Å; S400-A402 PolarHBondContact O-N 3.01Å; S400-A402 PolarHBondContact OG-N 3.46Å; A402-T404 VanDerWaalsContact C-N 3.33Å; A402-E405 PolarHBondContact O-N 2.74Å; A402-Q406 PolarHBondContact O-N 3.46Å
403	I	95.8	Very high	94.5	Very high	44 Å²	44	29.3 Å²	29.3	23%	0.226	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-39.6	175.9	-61.3	-60.7	0	0	0	110.4	A371 A372 M399 S400 E405 Q406 V407	A371-I403 HydrophobicContact CB-CG2 4.32Å; A372-I403 HydrophobicContact CB-CD1 4.39Å; A372-I403 HydrophobicContact CB-CG2 3.98Å; A372-I403 WeakPolarHBondContact O-CG2 3.48Å; M399-I403 HydrophobicContact CG-CB 4.31Å; M399-I403 HydrophobicContact CG-CG2 4.13Å; M399-I403 HydrophobicContact SD-CG2 4Å; S400-I403 PolarHBondContact O-N 2.92Å; I403-E405 PolarHBondContact O-N 3.13Å; I403-Q406 WeakPolarHBondContact O-CB 3.33Å; I403-Q406 PolarHBondContact O-N 3.46Å; I403-V407 HydrophobicContact CG2-CG2 4.48Å; I403-V407 WeakPolarHBondContact O-CG2 3.42Å; I403-V407 PolarHBondContact O-N 3.07Å
404	T	96.9	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-47.4	178.5	-49.4	0	0	0	0	110.7	I203 L207 I222 S400 P401 A402 V407 M408	I203-T404 HydrophobicContact CB-CG2 4.48Å; I203-T404 HydrophobicContact CD1-CG2 4.32Å; I203-T404 HydrophobicContact CG1-CG2 3.84Å; I203-T404 HydrophobicContact CG2-CG2 4.35Å; I203-T404 VanDerWaalsContact O-CG2 3.29Å; I203-T404 WeakPolarHBondContact O-CG2 3.49Å; L207-T404 HydrophobicContact CB-CG2 3.78Å; L207-T404 HydrophobicContact CD2-CG2 3.73Å; L207-T404 HydrophobicContact CG-CG2 4.4Å; I222-T404 HydrophobicContact CD1-CG2 4.38Å; S400-T404 PolarHBondContact O-N 3.31Å; S400-T404 PolarHBondContact O-OG1 2.9Å; P401-T404 PolarHBondContact O-N 3Å; A402-T404 VanDerWaalsContact C-N 3.33Å; T404-V407 PolarHBondContact O-N 3.42Å; T404-M408 HydrophobicContact CG2-SD 4.19Å; T404-M408 VanDerWaalsContact O-CG 3.26Å; T404-M408 WeakPolarHBondContact O-CG 3.45Å; T404-M408 PolarHBondContact O-N 3.19Å
405	E	96.2	Very high	95.2	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-42.4	173.7	-177.1	61.5	-140.1	0	0	112.2	V180 K183 I203 P401 A402 I403 V407 M408 R409	V180-E405 HydrophobicContact CG2-CB 4.23Å; V180-E405 HydrophobicContact CG2-CG 3.98Å; K183-E405 HydrophobicContact CB-CB 4.17Å; K183-E405 HydrophobicContact CB-CG 4.43Å; K183-E405 HydrophobicContact CG-CB 3.89Å; K183-E405 HydrophobicContact CG-CG 3.79Å; I203-E405 HydrophobicContact CD1-CB 4.38Å; P401-E405 PolarHBondContact O-N 3.42Å; A402-E405 PolarHBondContact O-N 2.74Å; I403-E405 PolarHBondContact O-N 3.13Å; E405-V407 VanDerWaalsContact C-N 3.31Å; E405-V407 PolarHBondContact O-N 3.16Å; E405-M408 CarbonylContact O-C 3.08Å; E405-M408 PolarHBondContact O-N 3.35Å; E405-M408 VanDerWaalsContact O-N 3.12Å; E405-R409 HydrophobicContact CG-CG 4.33Å; E405-R409 WeakPolarHBondContact O-CB 3.19Å; E405-R409 WeakPolarHBondContact O-CG 3.49Å; E405-R409 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact OE1-CG 3.48Å
406	Q	95.3	Very high	95.4	Very high	54 Å²	54	22.9 Å²	22.9	25%	0.252	14%	0.136	S	C	.	.	H	α-helix	trans	-56.9	-45.1	177.1	-169.5	-165.9	-3.6	0	0	111.5	V180 G370 A371 A402 I403 R409 A410	V180-Q406 HydrophobicContact CG2-CB 4.24Å; G370-Q406 PolarHBondContact O-NE2 2.9Å; A371-Q406 HydrophobicContact CB-CB 4.49Å; A371-Q406 HydrophobicContact CB-CG 4.24Å; A402-Q406 PolarHBondContact O-N 3.46Å; I403-Q406 WeakPolarHBondContact O-CB 3.33Å; I403-Q406 PolarHBondContact O-N 3.46Å; Q406-R409 PolarHBondContact O-N 2.83Å; Q406-A410 PolarHBondContact O-N 3.08Å
407	V	96.8	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-44.2	175.2	179.5	0	0	0	0	111	L207 F365 A371 I403 T404 E405 R409 A410 M411	L207-V407 HydrophobicContact CD1-CB 4.24Å; L207-V407 HydrophobicContact CD1-CG1 3.62Å; L207-V407 HydrophobicContact CD2-CB 3.95Å; L207-V407 HydrophobicContact CD2-CG1 3.89Å; L207-V407 HydrophobicContact CG-CG1 4.43Å; F365-V407 HydrophobicContact CB-CG1 4.47Å; F365-V407 HydrophobicContact CB-CG2 3.66Å; F365-V407 HydrophobicContact CD1-CB 4.48Å; F365-V407 HydrophobicContact CD1-CG1 3.41Å; F365-V407 VanDerWaalsContact CD1-CG1 3.41Å; F365-V407 HydrophobicContact CD1-CG2 4.15Å; F365-V407 HydrophobicContact CD2-CG1 4.22Å; F365-V407 HydrophobicContact CD2-CG2 3.97Å; F365-V407 HydrophobicContact CE1-CG1 3.53Å; F365-V407 HydrophobicContact CE2-CG1 4.32Å; F365-V407 HydrophobicContact CG-CB 4.42Å; F365-V407 HydrophobicContact CG-CG1 3.78Å; F365-V407 HydrophobicContact CG-CG2 3.66Å; F365-V407 HydrophobicContact CZ-CG1 4Å; A371-V407 HydrophobicContact CB-CG2 3.53Å; I403-V407 HydrophobicContact CG2-CG2 4.48Å; I403-V407 WeakPolarHBondContact O-CG2 3.42Å; I403-V407 PolarHBondContact O-N 3.07Å; T404-V407 PolarHBondContact O-N 3.42Å; E405-V407 VanDerWaalsContact C-N 3.31Å; E405-V407 PolarHBondContact O-N 3.16Å; V407-R409 VanDerWaalsContact C-N 3.32Å; V407-R409 PolarHBondContact O-N 3.02Å; V407-A410 PolarHBondContact O-N 3.3Å; V407-M411 HydrophobicContact CG1-CE 4.49Å; V407-M411 VanDerWaalsContact O-CB 3.25Å; V407-M411 WeakPolarHBondContact O-CB 3.32Å; V407-M411 PolarHBondContact O-N 3.38Å
408	M	96.8	Very high	95.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.02	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-38.3	177.6	-71.7	171.6	68.9	0	0	112.2	I203 E206 L207 L210 T404 E405 K412	I203-M408 HydrophobicContact CG1-SD 3.95Å; E206-M408 HydrophobicContact CB-CE 3.6Å; E206-M408 HydrophobicContact CB-SD 4.32Å; L207-M408 HydrophobicContact CB-CG 3.8Å; L207-M408 HydrophobicContact CB-SD 4.02Å; L207-M408 HydrophobicContact CD1-CG 3.75Å; L207-M408 HydrophobicContact CG-CG 4.23Å; L210-M408 HydrophobicContact CD2-CB 4.12Å; L210-M408 HydrophobicContact CD2-CG 4.11Å; T404-M408 HydrophobicContact CG2-SD 4.19Å; T404-M408 VanDerWaalsContact O-CG 3.26Å; T404-M408 WeakPolarHBondContact O-CG 3.45Å; T404-M408 PolarHBondContact O-N 3.19Å; E405-M408 CarbonylContact O-C 3.08Å; E405-M408 PolarHBondContact O-N 3.35Å; E405-M408 VanDerWaalsContact O-N 3.12Å; M408-K412 VanDerWaalsContact O-CB 3.25Å; M408-K412 WeakPolarHBondContact O-CB 3.25Å; M408-K412 WeakPolarHBondContact O-CD 3.23Å; M408-K412 WeakPolarHBondContact O-CG 3.13Å; M408-K412 PolarHBondContact O-N 3.43Å
409	R	95.3	Very high	95.7	Very high	49 Å²	49	27.5 Å²	27.5	19%	0.185	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-52.5	173.9	-74.5	-65.6	-54.2	163.7	9.8	111.6	F176 T179 E405 Q406 V407 M411 K412 C413	F176-R409 HydrophobicContact CD2-CB 3.88Å; F176-R409 HydrophobicContact CE2-CB 4.13Å; T179-R409 WeakPolarHBondContact OG1-CD 3.32Å; E405-R409 HydrophobicContact CG-CG 4.33Å; E405-R409 WeakPolarHBondContact O-CB 3.19Å; E405-R409 WeakPolarHBondContact O-CG 3.49Å; E405-R409 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact OE1-CG 3.48Å; Q406-R409 PolarHBondContact O-N 2.83Å; V407-R409 VanDerWaalsContact C-N 3.32Å; V407-R409 PolarHBondContact O-N 3.02Å; R409-M411 VanDerWaalsContact C-N 3.34Å; R409-M411 PolarHBondContact O-N 2.89Å; R409-K412 PolarHBondContact O-N 3.2Å; R409-C413 WeakPolarHBondContact O-CB 3.38Å; R409-C413 PolarHBondContact O-N 3.43Å
410	A	95.6	Very high	95.6	Very high	2 Å²	2	30 Å²	30	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-44.5	178.1	0	0	0	0	0	111.8	F169 F369 Q406 V407 C413 I414	F169-A410 HydrophobicContact CB-CB 4.17Å; F169-A410 HydrophobicContact CD1-CB 4.1Å; F169-A410 HydrophobicContact CD2-CB 3.92Å; F169-A410 HydrophobicContact CE1-CB 4.49Å; F169-A410 HydrophobicContact CE2-CB 4.33Å; F169-A410 HydrophobicContact CG-CB 3.81Å; F369-A410 HydrophobicContact CB-CB 4.41Å; F369-A410 HydrophobicContact CD1-CB 4.24Å; Q406-A410 PolarHBondContact O-N 3.08Å; V407-A410 PolarHBondContact O-N 3.3Å; A410-C413 WeakPolarHBondContact O-CB 3.17Å; A410-C413 PolarHBondContact O-N 3.19Å; A410-I414 WeakPolarHBondContact O-CD1 3.49Å; A410-I414 VanDerWaalsContact O-CG1 3.28Å; A410-I414 WeakPolarHBondContact O-CG1 3.15Å; A410-I414 PolarHBondContact O-N 2.89Å
411	M	96.6	Very high	95.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-39.7	-179.8	-169.3	169.6	-73	0	0	112.7	L207 L210 V211 F214 F365 F369 V407 R409 C413 I414 M415	L207-M411 HydrophobicContact CD1-SD 4.46Å; L210-M411 HydrophobicContact CB-SD 4.35Å; L210-M411 HydrophobicContact CD2-CB 3.91Å; L210-M411 HydrophobicContact CD2-CG 4.02Å; L210-M411 HydrophobicContact CD2-SD 4.13Å; L210-M411 HydrophobicContact CG-CB 4.39Å; L210-M411 HydrophobicContact CG-CG 3.93Å; L210-M411 HydrophobicContact CG-SD 3.77Å; V211-M411 HydrophobicContact CG2-CE 3.89Å; V211-M411 HydrophobicContact CG2-SD 3.98Å; F214-M411 HydrophobicContact CB-CG 4.1Å; F214-M411 HydrophobicContact CB-SD 3.83Å; F214-M411 HydrophobicContact CD1-CE 3.91Å; F214-M411 HydrophobicContact CD1-CG 4.29Å; F214-M411 HydrophobicContact CD1-SD 4.21Å; F214-M411 HydrophobicContact CG-CG 4.1Å; F214-M411 HydrophobicContact CG-SD 4.23Å; F365-M411 HydrophobicContact CE1-CE 4.08Å; F369-M411 HydrophobicContact CD1-CB 4.47Å; F369-M411 HydrophobicContact CD1-CE 4.22Å; F369-M411 HydrophobicContact CE1-CB 4.15Å; F369-M411 HydrophobicContact CE1-CE 3.39Å; F369-M411 HydrophobicContact CE1-CG 4.33Å; F369-M411 HydrophobicContact CE2-CE 4.48Å; F369-M411 HydrophobicContact CZ-CE 3.55Å; V407-M411 HydrophobicContact CG1-CE 4.49Å; V407-M411 VanDerWaalsContact O-CB 3.25Å; V407-M411 WeakPolarHBondContact O-CB 3.32Å; V407-M411 PolarHBondContact O-N 3.38Å; R409-M411 VanDerWaalsContact C-N 3.34Å; R409-M411 PolarHBondContact O-N 2.89Å; M411-C413 VanDerWaalsContact C-N 3.29Å; M411-C413 PolarHBondContact O-N 3.19Å; M411-I414 PolarHBondContact O-N 2.95Å; M411-M415 HydrophobicContact CG-SD 4.22Å; M411-M415 WeakPolarHBondContact O-CB 3.41Å; M411-M415 VanDerWaalsContact O-CG 3.23Å; M411-M415 WeakPolarHBondContact O-CG 3.17Å; M411-M415 PolarHBondContact O-N 3.01Å
412	K	96.3	Very high	95.5	Very high	58 Å²	58	36 Å²	36	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-40.6	171.6	-75.6	165.5	-172.2	171.8	0	111.4	L210 M408 R409 M415 G416 K417 D418	L210-K412 HydrophobicContact CD1-CG 4.39Å; L210-K412 HydrophobicContact CD2-CG 4.03Å; M408-K412 VanDerWaalsContact O-CB 3.25Å; M408-K412 WeakPolarHBondContact O-CB 3.25Å; M408-K412 WeakPolarHBondContact O-CD 3.23Å; M408-K412 WeakPolarHBondContact O-CG 3.13Å; M408-K412 PolarHBondContact O-N 3.43Å; R409-K412 PolarHBondContact O-N 3.2Å; K412-M415 CarbonylContact O-C 3.54Å; K412-M415 PolarHBondContact O-N 3.06Å; K412-G416 CarbonylContact O-C 3.49Å; K412-G416 PolarHBondContact O-N 2.83Å; K412-G416 VanDerWaalsContact O-N 3.07Å; K412-K417 HydrophobicContact CB-CB 4.09Å; K412-K417 HydrophobicContact CG-CB 4.14Å; K412-K417 PolarHBondContact O-N 3.46Å; K412-D418 HydrophobicContact CB-CB 4.45Å; K412-D418 PolarHBondContact O-N 3.16Å
413	C	95.6	Very high	95.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-43.6	177.2	-169.5	0	0	0	0	112.7	F169 F176 R409 A410 M411 M415 G416 D418 G423	F169-C413 HydrophobicContact CE1-CB 4.14Å; F169-C413 HydrophobicContact CZ-CB 3.99Å; F176-C413 HydrophobicContact CZ-CB 4.2Å; R409-C413 WeakPolarHBondContact O-CB 3.38Å; R409-C413 PolarHBondContact O-N 3.43Å; A410-C413 WeakPolarHBondContact O-CB 3.17Å; A410-C413 PolarHBondContact O-N 3.19Å; M411-C413 VanDerWaalsContact C-N 3.29Å; M411-C413 PolarHBondContact O-N 3.19Å; C413-M415 VanDerWaalsContact C-N 3.3Å; C413-M415 PolarHBondContact O-N 2.92Å; C413-G416 PolarHBondContact O-N 2.86Å; C413-D418 VanDerWaalsContact CA-OD2 3.32Å; C413-D418 WeakPolarHBondContact CA-OD2 3.25Å; C413-D418 VanDerWaalsContact CB-OD2 3.28Å; C413-D418 WeakPolarHBondContact CB-OD2 3.36Å; C413-D418 PolarHBondContact SG-OD2 3.4Å; C413-D418 VanDerWaalsContact SG-OD2 3.36Å; C413-G423 WeakPolarHBondContact O-CA 3.29Å; C413-G423 PolarHBondContact O-N 3.22Å
414	I	96.5	Very high	95.6	Very high	3 Å²	3	36 Å²	36	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-42.8	172.3	-69.7	161.8	0	0	0	111.3	L167 F169 F214 F369 A410 M411 G416 I427	L167-I414 HydrophobicContact CD1-CD1 3.6Å; L167-I414 HydrophobicContact CD1-CG1 3.78Å; F169-I414 HydrophobicContact CE2-CD1 3.91Å; F169-I414 HydrophobicContact CE2-CG1 3.74Å; F169-I414 HydrophobicContact CZ-CG1 4.24Å; F214-I414 HydrophobicContact CD2-CG2 4.43Å; F214-I414 HydrophobicContact CE2-CG2 3.47Å; F214-I414 VanDerWaalsContact CE2-CG2 3.47Å; F214-I414 HydrophobicContact CZ-CG2 3.64Å; F369-I414 HydrophobicContact CD1-CD1 3.87Å; F369-I414 HydrophobicContact CE1-CD1 3.59Å; F369-I414 HydrophobicContact CZ-CD1 4.48Å; A410-I414 WeakPolarHBondContact O-CD1 3.49Å; A410-I414 VanDerWaalsContact O-CG1 3.28Å; A410-I414 WeakPolarHBondContact O-CG1 3.15Å; A410-I414 PolarHBondContact O-N 2.89Å; M411-I414 PolarHBondContact O-N 2.95Å; I414-G416 VanDerWaalsContact C-N 3.33Å; I414-G416 PolarHBondContact O-N 2.95Å; I414-I427 HydrophobicContact CG2-CD1 4.16Å
415	M	96.9	Very high	95.6	Very high	51 Å²	51	42.4 Å²	42.4	25%	0.251	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4	-178.9	-65.3	179.8	82.4	0	0	114.9	L210 D213 F214 M411 K412 C413 K417	L210-M415 HydrophobicContact CD1-SD 3.74Å; L210-M415 HydrophobicContact CG-SD 4.42Å; D213-M415 HydrophobicContact CB-CE 3.97Å; F214-M415 HydrophobicContact CB-CE 4.28Å; F214-M415 HydrophobicContact CB-CG 4.49Å; F214-M415 HydrophobicContact CB-SD 3.83Å; F214-M415 HydrophobicContact CD2-CG 3.61Å; F214-M415 HydrophobicContact CD2-SD 4.08Å; F214-M415 HydrophobicContact CE2-CG 4.3Å; F214-M415 HydrophobicContact CG-CG 4.38Å; F214-M415 HydrophobicContact CG-SD 4.33Å; M411-M415 HydrophobicContact CG-SD 4.22Å; M411-M415 WeakPolarHBondContact O-CB 3.41Å; M411-M415 VanDerWaalsContact O-CG 3.23Å; M411-M415 WeakPolarHBondContact O-CG 3.17Å; M411-M415 PolarHBondContact O-N 3.01Å; K412-M415 CarbonylContact O-C 3.54Å; K412-M415 PolarHBondContact O-N 3.06Å; C413-M415 VanDerWaalsContact C-N 3.3Å; C413-M415 PolarHBondContact O-N 2.92Å; M415-K417 HydrophobicContact CB-CB 4.28Å; M415-K417 HydrophobicContact CB-CD 4.25Å; M415-K417 HydrophobicContact CB-CG 3.98Å; M415-K417 HydrophobicContact CE-CD 4.05Å; M415-K417 PolarHBondContact O-N 1.96Å; M415-K417 VanDerWaalsContact O-N 3.16Å; M415-K417 HydrophobicContact SD-CD 3.97Å
416	G	95.9	Very high	95.7	Very high	28 Å²	28	44 Å²	44	29%	0.289	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	8.8	-168.5	0	0	0	0	0	114.6	K412 C413 I414 D418 G419	K412-G416 CarbonylContact O-C 3.49Å; K412-G416 PolarHBondContact O-N 2.83Å; K412-G416 VanDerWaalsContact O-N 3.07Å; C413-G416 PolarHBondContact O-N 2.86Å; I414-G416 VanDerWaalsContact C-N 3.33Å; I414-G416 PolarHBondContact O-N 2.95Å; G416-D418 PolarHBondContact O-N 2.94Å; G416-G419 PolarHBondContact O-N 2.95Å
417	K	95.8	Very high	95.8	Very high	102 Å²	102	42 Å²	42	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-4	176.6	-79.4	-176.6	171.9	-179.4	0	113.1	L210 D213 K412 M415	L210-K417 HydrophobicContact CD1-CD 3.89Å; D213-K417 IonicContact OD2-NZ 3.81Å; D213-K417 PolarHBondContact OD2-NZ 3.06Å; K412-K417 HydrophobicContact CB-CB 4.09Å; K412-K417 HydrophobicContact CG-CB 4.14Å; K412-K417 PolarHBondContact O-N 3.46Å; M415-K417 HydrophobicContact CB-CB 4.28Å; M415-K417 HydrophobicContact CB-CD 4.25Å; M415-K417 HydrophobicContact CB-CG 3.98Å; M415-K417 HydrophobicContact CE-CD 4.05Å; M415-K417 PolarHBondContact O-N 1.96Å; M415-K417 VanDerWaalsContact O-N 3.16Å; M415-K417 HydrophobicContact SD-CD 3.97Å
418	D	92.1	Very high	95.8	Very high	41 Å²	41	49.7 Å²	49.7	22%	0.219	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.4	168.4	70.6	-4.9	0	0	0	113.6	K412 C413 G416 T420	K412-D418 HydrophobicContact CB-CB 4.45Å; K412-D418 PolarHBondContact O-N 3.16Å; C413-D418 VanDerWaalsContact CA-OD2 3.32Å; C413-D418 WeakPolarHBondContact CA-OD2 3.25Å; C413-D418 VanDerWaalsContact CB-OD2 3.28Å; C413-D418 WeakPolarHBondContact CB-OD2 3.36Å; C413-D418 PolarHBondContact SG-OD2 3.4Å; C413-D418 VanDerWaalsContact SG-OD2 3.36Å; G416-D418 PolarHBondContact O-N 2.94Å; D418-T420 VanDerWaalsContact C-N 3.34Å; D418-T420 WeakPolarHBondContact OD1-CB 3.26Å; D418-T420 PolarHBondContact OD1-N 2.88Å; D418-T420 PolarHBondContact OD1-OG1 2.83Å; D418-T420 PolarHBondContact OD2-OG1 3.07Å
419	G	93.2	Very high	95.9	Very high	75 Å²	75	52.3 Å²	52.3	77%	0.773	27%	0.269	S	S	*	.	S	Bend	trans	84	2.3	-178.1	0	0	0	0	0	114.6	G416	G416-G419 PolarHBondContact O-N 2.95Å
420	T	93.4	Very high	96.1	Very high	60 Å²	60	50 Å²	50	37%	0.368	26%	0.26	S	S	.	.			trans	-104.8	165.1	-178.1	77.8	0	0	0	0	112.9	D418 E422	D418-T420 VanDerWaalsContact C-N 3.34Å; D418-T420 WeakPolarHBondContact OD1-CB 3.26Å; D418-T420 PolarHBondContact OD1-N 2.88Å; D418-T420 PolarHBondContact OD1-OG1 2.83Å; D418-T420 PolarHBondContact OD2-OG1 3.07Å; T420-E422 WeakPolarHBondContact OG1-CB 3.47Å; T420-E422 PolarHBondContact OG1-N 3.33Å
421	T	95.5	Very high	96.2	Very high	110 Å²	110	51.3 Å²	51.3	68%	0.675	27%	0.27	S	S	*	.	S	Bend	trans	-98.7	7	168.6	54.4	0	0	0	0	112.7	G423 I424 R425	T421-G423 PolarHBondContact O-N 2.95Å; T421-I424 PolarHBondContact O-N 2.82Å; T421-R425 PolarHBondContact O-N 2.78Å
422	E	94.6	Very high	96.2	Very high	45 Å²	45	55.9 Å²	55.9	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-45.9	-170.1	178.7	68.8	-159	0	0	112.5	T420 R425 R426	T420-E422 WeakPolarHBondContact OG1-CB 3.47Å; T420-E422 PolarHBondContact OG1-N 3.33Å; E422-R425 PolarHBondContact O-N 2.74Å; E422-R425 IonicContact OE1-CZ 3.31Å; E422-R425 IonicContact OE1-NH2 3.18Å; E422-R425 PolarHBondContact OE1-NH2 3.19Å; E422-R425 IonicContact OE2-CZ 2.74Å; E422-R425 IonicContact OE2-NH1 3.19Å; E422-R425 PolarHBondContact OE2-NH1 3.09Å; E422-R425 IonicContact OE2-NH2 2.7Å; E422-R425 PolarHBondContact OE2-NH2 3.05Å; E422-R426 WeakPolarHBondContact O-CG 3.39Å; E422-R426 PolarHBondContact O-N 3.19Å; E422-R426 IonicContact OE1-CZ 2.71Å; E422-R426 VanDerWaalsContact OE1-CZ 3.23Å; E422-R426 IonicContact OE1-NE 3.77Å; E422-R426 PolarHBondContact OE1-NE 3.26Å; E422-R426 IonicContact OE1-NH2 2.91Å; E422-R426 PolarHBondContact OE1-NH2 3.05Å
423	G	95.6	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-43.2	178.4	0	0	0	0	0	113.3	C413 T421 R425 R426 I427	C413-G423 WeakPolarHBondContact O-CA 3.29Å; C413-G423 PolarHBondContact O-N 3.22Å; T421-G423 PolarHBondContact O-N 2.95Å; G423-R425 VanDerWaalsContact C-N 3.34Å; G423-R425 PolarHBondContact O-N 3.35Å; G423-R426 PolarHBondContact O-N 3.34Å; G423-I427 WeakPolarHBondContact O-CG1 3.12Å; G423-I427 PolarHBondContact O-N 2.88Å
424	I	96.5	Very high	96.4	Very high	62 Å²	62	53.1 Å²	53.1	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-37.3	176.5	-64.1	171.8	0	0	0	110.7	T421 R428	T421-I424 PolarHBondContact O-N 2.82Å; I424-R428 WeakPolarHBondContact O-CG 3.14Å; I424-R428 PolarHBondContact O-N 3.26Å; I424-R428 VanDerWaalsContact O-N 3.16Å
425	R	97.6	Very high	96.5	Very high	133 Å²	133	58.4 Å²	58.4	50%	0.502	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-45	172.6	-164.7	-177.5	76.9	-113.9	-9.8	111	T421 E422 G423 R428 Q429	T421-R425 PolarHBondContact O-N 2.78Å; E422-R425 PolarHBondContact O-N 2.74Å; E422-R425 IonicContact OE1-CZ 3.31Å; E422-R425 IonicContact OE1-NH2 3.18Å; E422-R425 PolarHBondContact OE1-NH2 3.19Å; E422-R425 IonicContact OE2-CZ 2.74Å; E422-R425 IonicContact OE2-NH1 3.19Å; E422-R425 PolarHBondContact OE2-NH1 3.09Å; E422-R425 IonicContact OE2-NH2 2.7Å; E422-R425 PolarHBondContact OE2-NH2 3.05Å; G423-R425 VanDerWaalsContact C-N 3.34Å; G423-R425 PolarHBondContact O-N 3.35Å; R425-R428 PolarHBondContact O-N 3Å; R425-Q429 WeakPolarHBondContact O-CB 3.18Å; R425-Q429 PolarHBondContact O-N 3.44Å
426	R	97.5	Very high	96.6	Very high	46 Å²	46	58.9 Å²	58.9	17%	0.174	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-43.4	178.9	-73.3	166.5	178.5	-101.6	-6.3	112.6	L167 G168 E422 G423 R428 Q429 L430 A502	L167-R426 HydrophobicContact CD2-CB 3.93Å; L167-R426 VanDerWaalsContact O-CD 3.3Å; L167-R426 WeakPolarHBondContact O-CD 3.44Å; L167-R426 PolarHBondContact O-NH1 3.26Å; G168-R426 VanDerWaalsContact C-NH1 3.31Å; G168-R426 PolarHBondContact O-NH1 3.36Å; E422-R426 WeakPolarHBondContact O-CG 3.39Å; E422-R426 PolarHBondContact O-N 3.19Å; E422-R426 IonicContact OE1-CZ 2.71Å; E422-R426 VanDerWaalsContact OE1-CZ 3.23Å; E422-R426 IonicContact OE1-NE 3.77Å; E422-R426 PolarHBondContact OE1-NE 3.26Å; E422-R426 IonicContact OE1-NH2 2.91Å; E422-R426 PolarHBondContact OE1-NH2 3.05Å; G423-R426 PolarHBondContact O-N 3.34Å; R426-R428 PolarHBondContact O-N 3.32Å; R426-Q429 PolarHBondContact O-N 2.58Å; R426-L430 WeakPolarHBondContact O-CB 3.41Å; R426-L430 PolarHBondContact O-N 2.94Å; R426-A502 HydrophobicContact CB-CB 3.73Å; R426-A502 HydrophobicContact CG-CB 4.01Å; R426-A502 VanDerWaalsContact O-CB 3.27Å; R426-A502 WeakPolarHBondContact O-CB 3.48Å
427	I	97.9	Very high	96.7	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-45.8	176.6	-69.1	157.8	0	0	0	111.3	L167 S343 I414 G423 L430 A431	L167-I427 HydrophobicContact CD1-CG1 4.4Å; L167-I427 HydrophobicContact CD2-CG1 3.82Å; S343-I427 VanDerWaalsContact C-CD1 3.49Å; I414-I427 HydrophobicContact CG2-CD1 4.16Å; G423-I427 WeakPolarHBondContact O-CG1 3.12Å; G423-I427 PolarHBondContact O-N 2.88Å; I427-L430 PolarHBondContact O-N 2.86Å; I427-A431 PolarHBondContact O-N 3.14Å; I427-A431 VanDerWaalsContact O-N 3.15Å
428	R	97.6	Very high	96.8	Very high	163 Å²	163	52.7 Å²	52.7	62%	0.615	26%	0.264	S	S	*	.	H	α-helix	trans	-63.1	-48.4	176.9	-68	174.7	-172.6	-179.6	3	111.6	I424 R425 R426 L430 A431 E432	I424-R428 WeakPolarHBondContact O-CG 3.14Å; I424-R428 PolarHBondContact O-N 3.26Å; I424-R428 VanDerWaalsContact O-N 3.16Å; R425-R428 PolarHBondContact O-N 3Å; R426-R428 PolarHBondContact O-N 3.32Å; R428-L430 VanDerWaalsContact C-N 3.31Å; R428-L430 PolarHBondContact O-N 2.95Å; R428-A431 PolarHBondContact O-N 2.89Å; R428-A431 VanDerWaalsContact O-N 3.16Å; R428-E432 WeakPolarHBondContact O-CG 3.22Å; R428-E432 PolarHBondContact O-N 2.92Å
429	Q	98.2	Very high	97	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-58	-42	178.5	-169.3	65.8	65.9	0	0	111.9	R425 R426 E432 N433 A502	R425-Q429 WeakPolarHBondContact O-CB 3.18Å; R425-Q429 PolarHBondContact O-N 3.44Å; R426-Q429 PolarHBondContact O-N 2.58Å; Q429-E432 PolarHBondContact O-N 2.69Å; Q429-N433 PolarHBondContact NE2-OD1 2.89Å; Q429-N433 WeakPolarHBondContact O-CB 3.41Å; Q429-N433 PolarHBondContact O-N 2.85Å; Q429-N433 PolarHBondContact O-ND2 3.03Å; Q429-N433 PolarHBondContact O-OD1 3.32Å; Q429-A502 HydrophobicContact CB-CB 4.46Å; Q429-A502 VanDerWaalsContact CG-O 3.32Å; Q429-A502 WeakPolarHBondContact CG-O 3.46Å
430	L	98.4	Very high	97.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-46	175.9	176.5	62.8	0	0	0	112.2	L167 A339 R426 I427 R428 N433 T434 P455 L500 A502	L167-L430 HydrophobicContact CD2-CD2 4.18Å; A339-L430 HydrophobicContact CB-CD2 4.32Å; R426-L430 WeakPolarHBondContact O-CB 3.41Å; R426-L430 PolarHBondContact O-N 2.94Å; I427-L430 PolarHBondContact O-N 2.86Å; R428-L430 VanDerWaalsContact C-N 3.31Å; R428-L430 PolarHBondContact O-N 2.95Å; L430-N433 PolarHBondContact O-N 2.79Å; L430-T434 VanDerWaalsContact O-CB 3.23Å; L430-T434 WeakPolarHBondContact O-CB 3.29Å; L430-T434 PolarHBondContact O-N 3.43Å; L430-T434 PolarHBondContact O-OG1 3.44Å; L430-P455 HydrophobicContact CD1-CB 3.88Å; L430-P455 HydrophobicContact CG-CB 4.44Å; L430-L500 HydrophobicContact CD1-CB 4.22Å; L430-L500 WeakPolarHBondContact CD1-O 3.49Å; L430-A502 HydrophobicContact CB-CB 4.35Å
431	A	97.8	Very high	97.4	Very high	28 Å²	28	49.4 Å²	49.4	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-41.3	179	0	0	0	0	0	112.1	I427 R428 R435	I427-A431 PolarHBondContact O-N 3.14Å; I427-A431 VanDerWaalsContact O-N 3.15Å; R428-A431 PolarHBondContact O-N 2.89Å; R428-A431 VanDerWaalsContact O-N 3.16Å; A431-R435 WeakPolarHBondContact O-CG 3.35Å; A431-R435 PolarHBondContact O-N 3.09Å
432	E	97.9	Very high	97.4	Very high	98 Å²	98	46.4 Å²	46.4	46%	0.458	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-45.1	175.5	-71.8	172.3	-145.3	0	0	112.2	R428 Q429 T434 Y436	R428-E432 WeakPolarHBondContact O-CG 3.22Å; R428-E432 PolarHBondContact O-N 2.92Å; Q429-E432 PolarHBondContact O-N 2.69Å; E432-T434 VanDerWaalsContact C-N 3.34Å; E432-T434 PolarHBondContact O-N 3.28Å; E432-Y436 WeakPolarHBondContact O-CB 3.45Å; E432-Y436 PolarHBondContact O-N 3.28Å
433	N	98.5	Very high	97.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-44.3	175.7	-75.6	-4.9	0	0	0	111.6	Q429 L430 F437 S501 H504 L509	Q429-N433 PolarHBondContact NE2-OD1 2.89Å; Q429-N433 WeakPolarHBondContact O-CB 3.41Å; Q429-N433 PolarHBondContact O-N 2.85Å; Q429-N433 PolarHBondContact O-ND2 3.03Å; Q429-N433 PolarHBondContact O-OD1 3.32Å; L430-N433 PolarHBondContact O-N 2.79Å; N433-F437 VanDerWaalsContact O-CB 3.25Å; N433-F437 WeakPolarHBondContact O-CB 3.43Å; N433-F437 PolarHBondContact O-N 3.15Å; N433-S501 PolarHBondContact ND2-O 3.43Å; N433-H504 PolarHBondContact ND2-O 3.39Å; N433-L509 HydrophobicContact CB-CD1 3.76Å
434	T	97.8	Very high	97.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-58.1	178.1	-63.7	0	0	0	0	111.5	L430 E432 Y436 F437 R438 S454	L430-T434 VanDerWaalsContact O-CB 3.23Å; L430-T434 WeakPolarHBondContact O-CB 3.29Å; L430-T434 PolarHBondContact O-N 3.43Å; L430-T434 PolarHBondContact O-OG1 3.44Å; E432-T434 VanDerWaalsContact C-N 3.34Å; E432-T434 PolarHBondContact O-N 3.28Å; T434-Y436 VanDerWaalsContact C-N 3.32Å; T434-Y436 PolarHBondContact O-N 2.65Å; T434-F437 PolarHBondContact O-N 2.81Å; T434-R438 WeakPolarHBondContact O-CB 3.4Å; T434-R438 VanDerWaalsContact O-CG 3.28Å; T434-R438 WeakPolarHBondContact O-CG 3.41Å; T434-R438 PolarHBondContact O-N 2.92Å; T434-S454 VanDerWaalsContact CG2-C 3.42Å; T434-S454 WeakPolarHBondContact CG2-O 3.07Å
435	R	97.4	Very high	97.4	Very high	113 Å²	113	46 Å²	46	43%	0.426	21%	0.208	S	C	.	.	H	α-helix	trans	-59.8	-42.3	-179.2	-70.6	175.9	-174.6	150.3	5.5	111.9	A431 A439 D452 D453	A431-R435 WeakPolarHBondContact O-CG 3.35Å; A431-R435 PolarHBondContact O-N 3.09Å; R435-A439 VanDerWaalsContact O-CB 3.28Å; R435-A439 WeakPolarHBondContact O-CB 3.41Å; R435-A439 PolarHBondContact O-N 2.86Å; R435-D452 WeakPolarHBondContact CG-O 3.16Å; R435-D453 IonicContact CZ-OD1 3.78Å; R435-D453 IonicContact NE-OD1 2.74Å; R435-D453 PolarHBondContact NE-OD1 3.42Å; R435-D453 VanDerWaalsContact NH2-CG 3.26Å; R435-D453 IonicContact NH2-OD1 2.7Å; R435-D453 PolarHBondContact NH2-OD1 2.98Å; R435-D453 IonicContact NH2-OD2 3.7Å; R435-D453 PolarHBondContact NH2-OD2 3.3Å; R435-D453 VanDerWaalsContact NH2-OD2 3.09Å
436	Y	98.4	Very high	97.3	Very high	61 Å²	61	39.7 Å²	39.7	24%	0.239	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-52.4	177.9	179.7	-102.1	0	0	0	112.4	E432 T434 R438 A439 K440 R506 L509 D510 L513	E432-Y436 WeakPolarHBondContact O-CB 3.45Å; E432-Y436 PolarHBondContact O-N 3.28Å; T434-Y436 VanDerWaalsContact C-N 3.32Å; T434-Y436 PolarHBondContact O-N 2.65Å; Y436-R438 VanDerWaalsContact C-N 3.35Å; Y436-R438 PolarHBondContact O-N 3.13Å; Y436-A439 PolarHBondContact O-N 3.09Å; Y436-K440 HydrophobicContact CD2-CG 4.41Å; Y436-K440 HydrophobicContact CE1-CG 4.18Å; Y436-K440 HydrophobicContact CE2-CD 4.42Å; Y436-K440 HydrophobicContact CE2-CG 4.01Å; Y436-K440 WeakPolarHBondContact O-CG 3.41Å; Y436-K440 PolarHBondContact O-N 3.16Å; Y436-R506 VanDerWaalsContact CG-NH1 3.29Å; Y436-L509 HydrophobicContact CD1-CD1 4.47Å; Y436-D510 WeakPolarHBondContact CE1-OD1 3.41Å; Y436-D510 VanDerWaalsContact CZ-OD1 3.24Å; Y436-D510 PolarHBondContact OH-OD1 3.33Å; Y436-L513 HydrophobicContact CD1-CD1 4.22Å; Y436-L513 HydrophobicContact CE1-CD1 3.65Å
437	F	98.4	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-40.7	-177.8	-168.6	-103.1	0	0	0	111.5	M161 N433 T434 L441 V457 F498 L500 L509 V512 L513	M161-F437 HydrophobicContact CE-CE1 4.38Å; M161-F437 HydrophobicContact CE-CE2 4.03Å; M161-F437 HydrophobicContact CE-CZ 3.91Å; N433-F437 VanDerWaalsContact O-CB 3.25Å; N433-F437 WeakPolarHBondContact O-CB 3.43Å; N433-F437 PolarHBondContact O-N 3.15Å; T434-F437 PolarHBondContact O-N 2.81Å; F437-L441 HydrophobicContact CD1-CD1 3.69Å; F437-L441 HydrophobicContact CE1-CD1 3.42Å; F437-L441 VanDerWaalsContact CE1-CD1 3.42Å; F437-L441 HydrophobicContact CE1-CG 4.35Å; F437-L441 HydrophobicContact CZ-CD1 4.03Å; F437-L441 WeakPolarHBondContact O-CB 3.47Å; F437-L441 WeakPolarHBondContact O-CG 3.46Å; F437-L441 PolarHBondContact O-N 2.63Å; F437-L441 VanDerWaalsContact O-N 3.1Å; F437-V457 HydrophobicContact CD1-CG1 4.24Å; F437-V457 HydrophobicContact CE1-CG1 4.41Å; F437-F498 HydrophobicContact CE1-CB 3.88Å; F437-F498 AromaticContact CE1-CD1 3.77Å; F437-F498 HydrophobicContact CE1-CD1 3.77Å; F437-F498 AromaticContact CE1-CG 3.82Å; F437-F498 HydrophobicContact CE1-CG 3.82Å; F437-F498 AromaticContact CZ-CD1 3.58Å; F437-F498 HydrophobicContact CZ-CD1 3.58Å; F437-F498 AromaticContact CZ-CE1 4Å; F437-F498 HydrophobicContact CZ-CE1 4Å; F437-F498 HydrophobicContact CZ-CG 4.11Å; F437-L500 HydrophobicContact CB-CD1 4.04Å; F437-L500 HydrophobicContact CB-CG 4.41Å; F437-L500 HydrophobicContact CD1-CD1 4.09Å; F437-L500 HydrophobicContact CD1-CD2 3.91Å; F437-L500 HydrophobicContact CD1-CG 4.48Å; F437-L500 HydrophobicContact CD2-CD1 4.45Å; F437-L500 HydrophobicContact CG-CD1 3.96Å; F437-L500 HydrophobicContact CG-CD2 4.48Å; F437-L509 HydrophobicContact CD2-CD2 4.06Å; F437-V512 HydrophobicContact CE2-CB 4.37Å; F437-V512 HydrophobicContact CE2-CG1 3.79Å; F437-V512 HydrophobicContact CZ-CG1 3.98Å; F437-L513 HydrophobicContact CD2-CD1 4.06Å; F437-L513 HydrophobicContact CD2-CD2 3.68Å; F437-L513 HydrophobicContact CD2-CG 3.73Å; F437-L513 HydrophobicContact CE2-CD2 3.69Å; F437-L513 HydrophobicContact CE2-CG 3.78Å; F437-L513 HydrophobicContact CG-CD2 4.42Å; F437-L513 HydrophobicContact CZ-CD2 4.45Å
438	R	97.3	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.6	-69.6	-175.9	68.8	94.8	2.5	112.3	T434 Y436 L441 K442 I448 Y449 G450 D451 D452 V456 V457	T434-R438 WeakPolarHBondContact O-CB 3.4Å; T434-R438 VanDerWaalsContact O-CG 3.28Å; T434-R438 WeakPolarHBondContact O-CG 3.41Å; T434-R438 PolarHBondContact O-N 2.92Å; Y436-R438 VanDerWaalsContact C-N 3.35Å; Y436-R438 PolarHBondContact O-N 3.13Å; R438-L441 PolarHBondContact O-N 3.14Å; R438-K442 WeakPolarHBondContact O-CG 3.49Å; R438-K442 PolarHBondContact O-N 3.04Å; R438-K442 VanDerWaalsContact O-N 3.13Å; R438-I448 HydrophobicContact CB-CD1 3.93Å; R438-I448 HydrophobicContact CG-CD1 4.08Å; R438-Y449 PolarHBondContact NH1-O 3.04Å; R438-Y449 PolarHBondContact NH2-O 3.13Å; R438-G450 PolarHBondContact NH2-O 3.21Å; R438-D451 PolarHBondContact NE-O 3.39Å; R438-D451 PolarHBondContact NH1-O 2.88Å; R438-D451 PolarHBondContact NH2-O 3.04Å; R438-D452 IonicContact CZ-OD1 2.74Å; R438-D452 IonicContact NE-OD1 2.95Å; R438-D452 PolarHBondContact NE-OD1 2.69Å; R438-D452 IonicContact NH2-OD1 2.63Å; R438-D452 PolarHBondContact NH2-OD1 3.15Å; R438-V456 PolarHBondContact NH1-O 3.37Å; R438-V457 HydrophobicContact CG-CB 4.37Å; R438-V457 HydrophobicContact CG-CG1 3.98Å; R438-V457 HydrophobicContact CG-CG2 3.42Å; R438-V457 VanDerWaalsContact CG-CG2 3.42Å
439	A	96.3	Very high	97	Very high	44 Å²	44	29.7 Å²	29.7	36%	0.364	15%	0.147	S	C	.	.	H	α-helix	trans	-60.4	-51.9	177.6	0	0	0	0	0	111.6	R435 Y436 L441 K442 D443	R435-A439 VanDerWaalsContact O-CB 3.28Å; R435-A439 WeakPolarHBondContact O-CB 3.41Å; R435-A439 PolarHBondContact O-N 2.86Å; Y436-A439 PolarHBondContact O-N 3.09Å; A439-L441 VanDerWaalsContact C-N 3.32Å; A439-L441 PolarHBondContact O-N 2.59Å; A439-K442 WeakPolarHBondContact O-CB 3.33Å; A439-K442 PolarHBondContact O-N 3.42Å; A439-D443 PolarHBondContact O-N 2.89Å
440	K	97.8	Very high	96.8	Very high	64 Å²	64	26.9 Å²	26.9	28%	0.278	13%	0.134	S	C	.	.	H	α-helix	trans	-61.4	-37	-179.2	-67	-64.4	-171.9	-176.6	0	112.9	Y436 D443 M444 L513	Y436-K440 HydrophobicContact CD2-CG 4.41Å; Y436-K440 HydrophobicContact CE1-CG 4.18Å; Y436-K440 HydrophobicContact CE2-CD 4.42Å; Y436-K440 HydrophobicContact CE2-CG 4.01Å; Y436-K440 WeakPolarHBondContact O-CG 3.41Å; Y436-K440 PolarHBondContact O-N 3.16Å; K440-D443 PolarHBondContact O-N 2.95Å; K440-M444 WeakPolarHBondContact O-CB 3.25Å; K440-M444 VanDerWaalsContact O-CG 3.24Å; K440-M444 WeakPolarHBondContact O-CG 3.4Å; K440-M444 PolarHBondContact O-N 2.68Å; K440-L513 HydrophobicContact CB-CD1 3.7Å; K440-L513 HydrophobicContact CB-CD2 3.78Å; K440-L513 HydrophobicContact CB-CG 4.34Å; K440-L513 HydrophobicContact CG-CD1 3.93Å
441	L	97.2	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-37.6	173.3	-74	173.6	0	0	0	113	F437 R438 A439 G445 F446 I448 V457 V459 L513 M516	F437-L441 HydrophobicContact CD1-CD1 3.69Å; F437-L441 HydrophobicContact CE1-CD1 3.42Å; F437-L441 VanDerWaalsContact CE1-CD1 3.42Å; F437-L441 HydrophobicContact CE1-CG 4.35Å; F437-L441 HydrophobicContact CZ-CD1 4.03Å; F437-L441 WeakPolarHBondContact O-CB 3.47Å; F437-L441 WeakPolarHBondContact O-CG 3.46Å; F437-L441 PolarHBondContact O-N 2.63Å; F437-L441 VanDerWaalsContact O-N 3.1Å; R438-L441 PolarHBondContact O-N 3.14Å; A439-L441 VanDerWaalsContact C-N 3.32Å; A439-L441 PolarHBondContact O-N 2.59Å; L441-G445 PolarHBondContact O-N 3.25Å; L441-F446 HydrophobicContact CB-CD2 4.44Å; L441-F446 HydrophobicContact CD2-CD2 3.6Å; L441-F446 HydrophobicContact CD2-CE2 3.92Å; L441-F446 HydrophobicContact CD2-CG 4.29Å; L441-F446 WeakPolarHBondContact O-CB 3.33Å; L441-F446 PolarHBondContact O-N 3.13Å; L441-F446 VanDerWaalsContact O-N 3.07Å; L441-I448 HydrophobicContact CB-CG2 4.2Å; L441-I448 HydrophobicContact CD1-CG2 4.32Å; L441-V457 HydrophobicContact CD1-CG1 3.87Å; L441-V459 HydrophobicContact CD1-CG2 3.79Å; L441-L513 HydrophobicContact CD2-CD2 4.08Å; L441-L513 HydrophobicContact CG-CD2 3.98Å; L441-M516 HydrophobicContact CD2-CB 4.46Å; L441-M516 HydrophobicContact CD2-CE 3.74Å
442	K	95.4	Very high	96.5	Very high	47 Å²	47	28.4 Å²	28.4	20%	0.204	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-44.6	173.6	-68.1	174.5	-168.1	-170.2	0	111.3	R438 A439 M444 G445 I448 D452	R438-K442 WeakPolarHBondContact O-CG 3.49Å; R438-K442 PolarHBondContact O-N 3.04Å; R438-K442 VanDerWaalsContact O-N 3.13Å; A439-K442 WeakPolarHBondContact O-CB 3.33Å; A439-K442 PolarHBondContact O-N 3.42Å; K442-M444 VanDerWaalsContact C-N 3.32Å; K442-M444 PolarHBondContact O-N 2.84Å; K442-G445 WeakPolarHBondContact O-CA 3.31Å; K442-G445 PolarHBondContact O-N 3.41Å; K442-I448 HydrophobicContact CD-CD1 4.5Å; K442-I448 HydrophobicContact CG-CD1 4.02Å; K442-I448 HydrophobicContact CG-CG1 4.22Å; K442-D452 WeakPolarHBondContact CE-OD1 3.42Å; K442-D452 IonicContact NZ-OD1 2.78Å; K442-D452 PolarHBondContact NZ-OD1 3.45Å; K442-D452 IonicContact NZ-OD2 3.17Å; K442-D452 PolarHBondContact NZ-OD2 2.5Å
443	D	95.1	Very high	96.3	Very high	52 Å²	52	25 Å²	25	28%	0.278	12%	0.123	S	C	.	.	H	α-helix	trans	-62.8	-37.4	178	-67.9	-40.2	0	0	0	112.6	A439 K440 G445 S533	A439-D443 PolarHBondContact O-N 2.89Å; K440-D443 PolarHBondContact O-N 2.95Å; D443-G445 PolarHBondContact O-N 3.48Å; D443-S533 WeakPolarHBondContact OD1-CB 3.46Å; D443-S533 PolarHBondContact OD1-OG 2.94Å
444	M	95.9	Very high	96.2	Very high	36 Å²	36	25 Å²	25	18%	0.177	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.1	172.6	-72.1	172.5	-177.8	0	0	113.3	K440 K442 F446 L513 N517 K526	K440-M444 WeakPolarHBondContact O-CB 3.25Å; K440-M444 VanDerWaalsContact O-CG 3.24Å; K440-M444 WeakPolarHBondContact O-CG 3.4Å; K440-M444 PolarHBondContact O-N 2.68Å; K442-M444 VanDerWaalsContact C-N 3.32Å; K442-M444 PolarHBondContact O-N 2.84Å; M444-F446 HydrophobicContact CB-CD2 3.78Å; M444-F446 HydrophobicContact CB-CE2 3.88Å; M444-F446 HydrophobicContact SD-CE2 4.2Å; M444-L513 HydrophobicContact CE-CB 4Å; M444-L513 WeakPolarHBondContact CE-O 3.44Å; M444-L513 HydrophobicContact SD-CD2 4.49Å; M444-N517 HydrophobicContact CE-CB 3.99Å; M444-N517 HydrophobicContact SD-CB 3.89Å; M444-K526 WeakPolarHBondContact O-CD 3.23Å; M444-K526 WeakPolarHBondContact O-CG 3.32Å
445	G	96.1	Very high	96.1	Very high	9 Å²	9	24.9 Å²	24.9	9%	0.093	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	17.3	178.8	0	0	0	0	0	114.8	L441 K442 D443 K526 F527 S528	L441-G445 PolarHBondContact O-N 3.25Å; K442-G445 WeakPolarHBondContact O-CA 3.31Å; K442-G445 PolarHBondContact O-N 3.41Å; D443-G445 PolarHBondContact O-N 3.48Å; G445-K526 CarbonylContact O-C 3.53Å; G445-K526 VanDerWaalsContact O-CA 3.24Å; G445-K526 WeakPolarHBondContact O-CA 3.27Å; G445-F527 PolarHBondContact O-N 3.29Å; G445-F527 VanDerWaalsContact O-N 3.13Å; G445-S528 WeakPolarHBondContact O-CB 3.42Å; G445-S528 PolarHBondContact O-N 2.98Å
446	F	96.9	Very high	96.1	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	10%	0.102	C	C	.	.			trans	-72.2	145.8	170.5	-69.2	-80.5	0	0	0	111	L441 M444 I448 V459 M516 L525 K526	L441-F446 HydrophobicContact CB-CD2 4.44Å; L441-F446 HydrophobicContact CD2-CD2 3.6Å; L441-F446 HydrophobicContact CD2-CE2 3.92Å; L441-F446 HydrophobicContact CD2-CG 4.29Å; L441-F446 WeakPolarHBondContact O-CB 3.33Å; L441-F446 PolarHBondContact O-N 3.13Å; L441-F446 VanDerWaalsContact O-N 3.07Å; M444-F446 HydrophobicContact CB-CD2 3.78Å; M444-F446 HydrophobicContact CB-CE2 3.88Å; M444-F446 HydrophobicContact SD-CE2 4.2Å; F446-I448 HydrophobicContact CB-CG2 4.32Å; F446-V459 HydrophobicContact CB-CG1 4.25Å; F446-V459 HydrophobicContact CD1-CG1 3.7Å; F446-V459 HydrophobicContact CE1-CG1 4.35Å; F446-V459 HydrophobicContact CG-CG1 4.18Å; F446-M516 HydrophobicContact CE1-CE 4.21Å; F446-M516 HydrophobicContact CE2-CE 4.34Å; F446-M516 HydrophobicContact CZ-CE 4.04Å; F446-M516 WeakPolarHBondContact CZ-O 3.22Å; F446-L525 HydrophobicContact CD1-CB 4.3Å; F446-L525 HydrophobicContact CE1-CB 3.85Å; F446-K526 HydrophobicContact CE1-CG 4.43Å; F446-K526 HydrophobicContact CE2-CG 4.5Å; F446-K526 HydrophobicContact CZ-CG 4.34Å
447	I	96.3	Very high	96.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.091	C	C	.	.			trans	-82.8	122.9	162.5	-64.9	176.6	0	0	0	107.6	E52 P54 Y449 L460 Y462 F527	E52-I447 HydrophobicContact CB-CG2 4.19Å; E52-I447 HydrophobicContact CG-CD1 4.25Å; E52-I447 HydrophobicContact CG-CG1 4.35Å; E52-I447 WeakPolarHBondContact O-CG2 3.23Å; P54-I447 HydrophobicContact CB-CD1 4.35Å; I447-Y449 HydrophobicContact CG2-CD1 4.28Å; I447-Y449 HydrophobicContact CG2-CE1 4.05Å; I447-L460 HydrophobicContact CB-CB 4.36Å; I447-L460 HydrophobicContact CG2-CB 4.23Å; I447-L460 HydrophobicContact CG2-CD2 4.33Å; I447-L460 HydrophobicContact CG2-CG 4.1Å; I447-L460 PolarHBondContact O-N 3.37Å; I447-Y462 HydrophobicContact CD1-CE2 4.46Å; I447-Y462 WeakPolarHBondContact CD1-OH 3.43Å; I447-Y462 WeakPolarHBondContact CG2-OH 3.38Å; I447-F527 HydrophobicContact CD1-CB 3.74Å; I447-F527 HydrophobicContact CG1-CB 4.11Å
448	I	95.9	Very high	96	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.031	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-124.7	147.5	171.4	71.7	175.1	0	0	0	110.1	T50 R438 L441 K442 F446 V457 P458 V459	T50-I448 VanDerWaalsContact O-O 3.08Å; R438-I448 HydrophobicContact CB-CD1 3.93Å; R438-I448 HydrophobicContact CG-CD1 4.08Å; L441-I448 HydrophobicContact CB-CG2 4.2Å; L441-I448 HydrophobicContact CD1-CG2 4.32Å; K442-I448 HydrophobicContact CD-CD1 4.5Å; K442-I448 HydrophobicContact CG-CD1 4.02Å; K442-I448 HydrophobicContact CG-CG1 4.22Å; F446-I448 HydrophobicContact CB-CG2 4.32Å; I448-V457 HydrophobicContact CD1-CG1 4.19Å; I448-P458 WeakPolarHBondContact CA-O 3.42Å; I448-P458 WeakPolarHBondContact CB-O 3.41Å; I448-V459 HydrophobicContact CG2-CG2 3.93Å
449	Y	94.8	Very high	96	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.008	9%	0.091	C	C	.	.			trans	-100.3	171.6	177	-71.8	-2.6	0	0	0	113.3	T50 F51 E309 R438 I447 P458 L460 E493	T50-Y449 WeakPolarHBondContact O-CA 3.48Å; F51-Y449 AromaticContact CD1-CD1 3.98Å; F51-Y449 HydrophobicContact CD1-CD1 3.98Å; F51-Y449 AromaticContact CD1-CD2 3.56Å; F51-Y449 HydrophobicContact CD1-CD2 3.56Å; F51-Y449 HydrophobicContact CD1-CE1 4.32Å; F51-Y449 AromaticContact CD1-CE2 3.92Å; F51-Y449 HydrophobicContact CD1-CE2 3.92Å; F51-Y449 AromaticContact CD1-CG 3.59Å; F51-Y449 HydrophobicContact CD1-CG 3.59Å; F51-Y449 AromaticContact CE1-CD2 3.79Å; F51-Y449 HydrophobicContact CE1-CD2 3.79Å; F51-Y449 HydrophobicContact CE1-CE2 4.41Å; F51-Y449 AromaticContact CE1-CG 4Å; F51-Y449 HydrophobicContact CE1-CG 4Å; E309-Y449 CarbonylContact O-C 3.51Å; E309-Y449 VanDerWaalsContact O-C 3.3Å; R438-Y449 PolarHBondContact NH1-O 3.04Å; R438-Y449 PolarHBondContact NH2-O 3.13Å; I447-Y449 HydrophobicContact CG2-CD1 4.28Å; I447-Y449 HydrophobicContact CG2-CE1 4.05Å; Y449-P458 PolarHBondContact N-O 3.18Å; Y449-L460 HydrophobicContact CD1-CD2 3.66Å; Y449-L460 HydrophobicContact CD1-CG 4.2Å; Y449-L460 HydrophobicContact CD2-CD1 4.41Å; Y449-L460 HydrophobicContact CD2-CD2 4.09Å; Y449-L460 HydrophobicContact CE1-CD1 4.38Å; Y449-L460 HydrophobicContact CE1-CD2 3.96Å; Y449-L460 HydrophobicContact CE1-CG 3.96Å; Y449-L460 HydrophobicContact CE2-CD1 4.01Å; Y449-L460 HydrophobicContact CE2-CD2 4.38Å; Y449-L460 HydrophobicContact CE2-CG 4.42Å; Y449-L460 HydrophobicContact CG-CD2 3.73Å; Y449-E493 VanDerWaalsContact CE2-OE1 3.26Å; Y449-E493 WeakPolarHBondContact CE2-OE1 3.33Å; Y449-E493 PolarHBondContact OH-OE1 2.96Å
450	G	93.9	Very high	96.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	84.2	-168.5	171.3	0	0	0	0	0	115.2	T50 E309 G310 R438	T50-G450 PolarHBondContact N-O 2.9Å; T50-G450 PolarHBondContact OG1-O 3.44Å; E309-G450 WeakPolarHBondContact O-CA 3.41Å; E309-G450 PolarHBondContact O-N 2.89Å; E309-G450 VanDerWaalsContact O-N 3.16Å; G310-G450 VanDerWaalsContact C-CA 3.46Å; G310-G450 WeakPolarHBondContact O-CA 3.47Å; R438-G450 PolarHBondContact NH2-O 3.21Å
451	D	95	Very high	96	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.053	6%	0.06	C	C	.	.			trans	-91.7	156.5	-177.7	-175.9	-111.1	0	0	0	113.3	S47 G310 V312 R438 D453 S454	S47-D451 WeakPolarHBondContact CB-OD2 3.31Å; S47-D451 PolarHBondContact OG-OD2 3.36Å; G310-D451 PolarHBondContact O-N 2.84Å; V312-D451 HydrophobicContact CB-CB 4.13Å; V312-D451 HydrophobicContact CG2-CB 3.51Å; R438-D451 PolarHBondContact NE-O 3.39Å; R438-D451 PolarHBondContact NH1-O 2.88Å; R438-D451 PolarHBondContact NH2-O 3.04Å; D451-D453 PolarHBondContact OD1-N 3.36Å; D451-S454 VanDerWaalsContact O-CB 3.3Å; D451-S454 WeakPolarHBondContact O-CB 3.41Å; D451-S454 PolarHBondContact O-N 2.63Å
452	D	94.1	Very high	95.9	Very high	50 Å²	50	11.6 Å²	11.6	27%	0.267	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.3	-177.1	-75.8	-7	0	0	0	116.1	R435 R438 K442	R435-D452 WeakPolarHBondContact CG-O 3.16Å; R438-D452 IonicContact CZ-OD1 2.74Å; R438-D452 IonicContact NE-OD1 2.95Å; R438-D452 PolarHBondContact NE-OD1 2.69Å; R438-D452 IonicContact NH2-OD1 2.63Å; R438-D452 PolarHBondContact NH2-OD1 3.15Å; K442-D452 WeakPolarHBondContact CE-OD1 3.42Å; K442-D452 IonicContact NZ-OD1 2.78Å; K442-D452 PolarHBondContact NZ-OD1 3.45Å; K442-D452 IonicContact NZ-OD2 3.17Å; K442-D452 PolarHBondContact NZ-OD2 2.5Å
453	D	92.9	Very high	95.8	Very high	26 Å²	26	10.7 Å²	10.7	14%	0.139	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.5	165.5	-78.7	3.3	0	0	0	112.5	R44 V340 R435 D451	R44-D453 IonicContact CZ-OD2 3.22Å; R44-D453 IonicContact NH1-OD2 2.63Å; R44-D453 IonicContact NH2-OD1 3.78Å; R44-D453 IonicContact NH2-OD2 2.78Å; R44-D453 PolarHBondContact NH2-OD2 3.2Å; V340-D453 WeakPolarHBondContact CG1-O 3.27Å; R435-D453 IonicContact CZ-OD1 3.78Å; R435-D453 IonicContact NE-OD1 2.74Å; R435-D453 PolarHBondContact NE-OD1 3.42Å; R435-D453 VanDerWaalsContact NH2-CG 3.26Å; R435-D453 IonicContact NH2-OD1 2.7Å; R435-D453 PolarHBondContact NH2-OD1 2.98Å; R435-D453 IonicContact NH2-OD2 3.7Å; R435-D453 PolarHBondContact NH2-OD2 3.3Å; R435-D453 VanDerWaalsContact NH2-OD2 3.09Å; D451-D453 PolarHBondContact OD1-N 3.36Å
454	S	96.6	Very high	95.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.			trans	-86.1	119.8	-176.4	-175.7	0	0	0	0	113.4	I305 G310 T434 D451 V456	I305-S454 WeakPolarHBondContact CG2-OG 3.49Å; G310-S454 WeakPolarHBondContact O-CB 3.21Å; G310-S454 PolarHBondContact O-OG 2.73Å; T434-S454 VanDerWaalsContact CG2-C 3.42Å; T434-S454 WeakPolarHBondContact CG2-O 3.07Å; D451-S454 VanDerWaalsContact O-CB 3.3Å; D451-S454 WeakPolarHBondContact O-CB 3.41Å; D451-S454 PolarHBondContact O-N 2.63Å; S454-V456 PolarHBondContact O-N 3.43Å; S454-V456 VanDerWaalsContact O-N 3.14Å
455	P	97	Very high	95.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-75	1.2	-179.5	32.8	-37.3	0	0	0	113.7	Y166 A339 L430 C499 L500	Y166-P455 HydrophobicContact CD1-CB 3.78Å; Y166-P455 HydrophobicContact CD1-CG 3.64Å; Y166-P455 HydrophobicContact CE1-CB 3.81Å; Y166-P455 HydrophobicContact CE1-CG 3.57Å; Y166-P455 HydrophobicContact CG-CG 4.43Å; A339-P455 HydrophobicContact CB-CG 4.01Å; L430-P455 HydrophobicContact CD1-CB 3.88Å; L430-P455 HydrophobicContact CG-CB 4.44Å; P455-C499 WeakPolarHBondContact O-CA 3.26Å; P455-L500 HydrophobicContact CB-CB 4.32Å; P455-L500 PolarHBondContact O-N 2.81Å
456	V	97.8	Very high	95.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.8	168.5	178.2	0	0	0	0	107.9	Y166 I305 R438 S454 P458 R497	Y166-V456 HydrophobicContact CE1-CG2 4.48Å; Y166-V456 WeakPolarHBondContact OH-CG2 3.31Å; I305-V456 HydrophobicContact CG2-CG2 4.45Å; R438-V456 PolarHBondContact NH1-O 3.37Å; S454-V456 PolarHBondContact O-N 3.43Å; S454-V456 VanDerWaalsContact O-N 3.14Å; V456-P458 VanDerWaalsContact O-CD 3.24Å; V456-P458 WeakPolarHBondContact O-CD 3.31Å; V456-R497 HydrophobicContact CG1-CG 3.77Å
457	V	97.6	Very high	95.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	86.3	-174.6	-177	0	0	0	0	109.7	F437 R438 L441 I448 V459 F498 L500	F437-V457 HydrophobicContact CD1-CG1 4.24Å; F437-V457 HydrophobicContact CE1-CG1 4.41Å; R438-V457 HydrophobicContact CG-CB 4.37Å; R438-V457 HydrophobicContact CG-CG1 3.98Å; R438-V457 HydrophobicContact CG-CG2 3.42Å; R438-V457 VanDerWaalsContact CG-CG2 3.42Å; L441-V457 HydrophobicContact CD1-CG1 3.87Å; I448-V457 HydrophobicContact CD1-CG1 4.19Å; V457-V459 PolarHBondContact O-N 3.08Å; V457-F498 HydrophobicContact CB-CB 4.15Å; V457-F498 PolarHBondContact N-O 2.91Å; V457-F498 WeakPolarHBondContact O-CB 3.39Å; V457-F498 PolarHBondContact O-N 3.15Å; V457-L500 HydrophobicContact CB-CD2 4.11Å; V457-L500 HydrophobicContact CG2-CD2 3.49Å; V457-L500 VanDerWaalsContact CG2-CD2 3.49Å
458	P	96.9	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.8	174.3	29.3	-33.8	0	0	0	111.3	M308 E309 I448 Y449 V456 A496	M308-P458 WeakPolarHBondContact O-CB 3.34Å; E309-P458 VanDerWaalsContact O-CG 3.3Å; E309-P458 WeakPolarHBondContact O-CG 3.49Å; I448-P458 WeakPolarHBondContact CA-O 3.42Å; I448-P458 WeakPolarHBondContact CB-O 3.41Å; Y449-P458 PolarHBondContact N-O 3.18Å; V456-P458 VanDerWaalsContact O-CD 3.24Å; V456-P458 WeakPolarHBondContact O-CD 3.31Å; P458-A496 CarbonylContact C-O 3.53Å; P458-A496 WeakPolarHBondContact CA-O 3.07Å
459	V	97.6	Very high	95.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.3	169.2	179.8	0	0	0	0	108.8	L441 F446 I448 V457 L461 R495 A496 F498 M516	L441-V459 HydrophobicContact CD1-CG2 3.79Å; F446-V459 HydrophobicContact CB-CG1 4.25Å; F446-V459 HydrophobicContact CD1-CG1 3.7Å; F446-V459 HydrophobicContact CE1-CG1 4.35Å; F446-V459 HydrophobicContact CG-CG1 4.18Å; I448-V459 HydrophobicContact CG2-CG2 3.93Å; V457-V459 PolarHBondContact O-N 3.08Å; V459-L461 HydrophobicContact CG1-CD2 4.4Å; V459-R495 CarbonylContact O-C 3.54Å; V459-R495 WeakPolarHBondContact O-CA 3.35Å; V459-R495 WeakPolarHBondContact O-CB 3.47Å; V459-A496 PolarHBondContact N-O 3.35Å; V459-A496 PolarHBondContact O-N 3.39Å; V459-F498 HydrophobicContact CB-CD2 4.41Å; V459-F498 HydrophobicContact CB-CE2 4.24Å; V459-F498 HydrophobicContact CG2-CD2 3.76Å; V459-F498 HydrophobicContact CG2-CE2 3.81Å; V459-M516 HydrophobicContact CB-CE 4.49Å; V459-M516 HydrophobicContact CG1-CE 4.14Å; V459-M516 HydrophobicContact CG2-CE 4.03Å
460	L	96.7	Very high	95.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.7	-173.8	-76	-72.8	0	0	0	110.6	I447 Y449 Y462 E493 R495	I447-L460 HydrophobicContact CB-CB 4.36Å; I447-L460 HydrophobicContact CG2-CB 4.23Å; I447-L460 HydrophobicContact CG2-CD2 4.33Å; I447-L460 HydrophobicContact CG2-CG 4.1Å; I447-L460 PolarHBondContact O-N 3.37Å; Y449-L460 HydrophobicContact CD1-CD2 3.66Å; Y449-L460 HydrophobicContact CD1-CG 4.2Å; Y449-L460 HydrophobicContact CD2-CD1 4.41Å; Y449-L460 HydrophobicContact CD2-CD2 4.09Å; Y449-L460 HydrophobicContact CE1-CD1 4.38Å; Y449-L460 HydrophobicContact CE1-CD2 3.96Å; Y449-L460 HydrophobicContact CE1-CG 3.96Å; Y449-L460 HydrophobicContact CE2-CD1 4.01Å; Y449-L460 HydrophobicContact CE2-CD2 4.38Å; Y449-L460 HydrophobicContact CE2-CG 4.42Å; Y449-L460 HydrophobicContact CG-CD2 3.73Å; L460-Y462 HydrophobicContact CB-CD2 4.19Å; L460-Y462 HydrophobicContact CB-CE1 4.14Å; L460-Y462 HydrophobicContact CB-CE2 3.5Å; L460-Y462 VanDerWaalsContact CB-CE2 3.5Å; L460-Y462 VanDerWaalsContact CB-CZ 3.45Å; L460-Y462 WeakPolarHBondContact CB-OH 3.11Å; L460-Y462 HydrophobicContact CD1-CE1 4.24Å; L460-Y462 HydrophobicContact CG-CE1 4.39Å; L460-Y462 HydrophobicContact CG-CE2 4.49Å; L460-E493 HydrophobicContact CD1-CB 4.23Å; L460-R495 HydrophobicContact CD1-CB 4.33Å
461	L	96.4	Very high	95.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.094	C	C	.	.			trans	-109.9	-24.6	-176.5	-57.7	-177.4	0	0	0	112.8	V459 M463 V467 F470 V483 A494 A496 L525	V459-L461 HydrophobicContact CG1-CD2 4.4Å; L461-M463 VanDerWaalsContact C-N 3.33Å; L461-M463 PolarHBondContact O-N 3.09Å; L461-V467 HydrophobicContact CB-CG2 3.88Å; L461-V467 HydrophobicContact CD1-CB 4.47Å; L461-V467 HydrophobicContact CD1-CG2 4.39Å; L461-F470 HydrophobicContact CD1-CB 3.94Å; L461-F470 HydrophobicContact CD1-CD1 3.75Å; L461-F470 HydrophobicContact CD1-CD2 4.43Å; L461-F470 HydrophobicContact CD1-CE1 4.34Å; L461-F470 HydrophobicContact CD1-CG 3.79Å; L461-F470 HydrophobicContact CD2-CD2 3.9Å; L461-F470 HydrophobicContact CD2-CE2 4.11Å; L461-F470 HydrophobicContact CD2-CG 4.1Å; L461-V483 HydrophobicContact CD1-CG1 4.07Å; L461-A494 PolarHBondContact N-O 3.19Å; L461-A496 HydrophobicContact CD1-CB 3.96Å; L461-A496 HydrophobicContact CG-CB 4.45Å; L461-L525 HydrophobicContact CB-CD2 4.44Å; L461-L525 HydrophobicContact CD2-CD1 3.74Å; L461-L525 HydrophobicContact CD2-CD2 3.87Å; L461-L525 HydrophobicContact CD2-CG 4.38Å
462	Y	95	Very high	95.6	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.008	11%	0.109	C	C	.	.			trans	61.3	-74.5	176.3	-54.4	-80.1	0	0	0	115	P54 V58 T62 I447 L460 T492 A494 F527	P54-Y462 HydrophobicContact CB-CE1 3.89Å; P54-Y462 HydrophobicContact CB-CE2 4.2Å; P54-Y462 HydrophobicContact CG-CD1 4.39Å; P54-Y462 HydrophobicContact CG-CE1 3.67Å; V58-Y462 HydrophobicContact CG1-CD1 4.37Å; V58-Y462 HydrophobicContact CG1-CD2 3.64Å; V58-Y462 HydrophobicContact CG1-CE2 4.28Å; V58-Y462 HydrophobicContact CG1-CG 3.7Å; T62-Y462 WeakPolarHBondContact CG2-O 3.39Å; T62-Y462 WeakPolarHBondContact OG1-CB 3.33Å; I447-Y462 HydrophobicContact CD1-CE2 4.46Å; I447-Y462 WeakPolarHBondContact CD1-OH 3.43Å; I447-Y462 WeakPolarHBondContact CG2-OH 3.38Å; L460-Y462 HydrophobicContact CB-CD2 4.19Å; L460-Y462 HydrophobicContact CB-CE1 4.14Å; L460-Y462 HydrophobicContact CB-CE2 3.5Å; L460-Y462 VanDerWaalsContact CB-CE2 3.5Å; L460-Y462 VanDerWaalsContact CB-CZ 3.45Å; L460-Y462 WeakPolarHBondContact CB-OH 3.11Å; L460-Y462 HydrophobicContact CD1-CE1 4.24Å; L460-Y462 HydrophobicContact CG-CE1 4.39Å; L460-Y462 HydrophobicContact CG-CE2 4.49Å; Y462-T492 WeakPolarHBondContact CD1-O 3.25Å; Y462-A494 PolarHBondContact N-O 3.13Å; Y462-F527 AromaticContact CD2-CD2 3.66Å; Y462-F527 HydrophobicContact CD2-CD2 3.66Å; Y462-F527 AromaticContact CD2-CE2 3.55Å; Y462-F527 HydrophobicContact CD2-CE2 3.55Å; Y462-F527 HydrophobicContact CD2-CZ 4.31Å; Y462-F527 AromaticContact CE2-CD2 3.61Å; Y462-F527 HydrophobicContact CE2-CD2 3.61Å; Y462-F527 HydrophobicContact CE2-CE2 4.01Å; Y462-F527 HydrophobicContact CE2-CG 4.32Å
463	M	93.3	Very high	95.8	Very high	28 Å²	28	17.6 Å²	17.6	14%	0.138	10%	0.103	C	C	.	.	S	Bend	trans	-75.2	131.5	-168	-57.3	176.4	-166.4	0	0	111.5	V58 M61 T62 L461 G465 K466 V467	V58-M463 HydrophobicContact CG1-CE 4.2Å; M61-M463 HydrophobicContact CB-CE 3.53Å; M61-M463 HydrophobicContact CB-SD 4.31Å; M61-M463 HydrophobicContact CG-CE 4.49Å; T62-M463 WeakPolarHBondContact OG1-CG 3.48Å; L461-M463 VanDerWaalsContact C-N 3.33Å; L461-M463 PolarHBondContact O-N 3.09Å; M463-G465 VanDerWaalsContact C-N 3.3Å; M463-G465 PolarHBondContact O-N 3.36Å; M463-K466 HydrophobicContact CB-CB 4.26Å; M463-K466 HydrophobicContact CB-CD 4.23Å; M463-K466 HydrophobicContact CB-CG 4.04Å; M463-K466 HydrophobicContact CG-CD 4.43Å; M463-K466 WeakPolarHBondContact O-CA 2.86Å; M463-K466 WeakPolarHBondContact O-CB 3.39Å; M463-K466 PolarHBondContact O-N 2.86Å; M463-K466 HydrophobicContact SD-CD 4.01Å; M463-V467 WeakPolarHBondContact O-CG2 3.4Å; M463-V467 PolarHBondContact O-N 3.43Å; M463-V467 VanDerWaalsContact O-N 3.09Å
464	P	91.2	Very high	96	Very high	25 Å²	25	16.4 Å²	16.4	16%	0.162	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-34	-170.9	22.3	-32.5	0	0	0	113.4	Y66 V468	Y66-P464 HydrophobicContact CD1-CG 4.35Å; Y66-P464 HydrophobicContact CD2-CB 4.46Å; Y66-P464 HydrophobicContact CD2-CG 3.72Å; Y66-P464 HydrophobicContact CE1-CB 4.24Å; Y66-P464 HydrophobicContact CE1-CG 4.3Å; Y66-P464 HydrophobicContact CE2-CB 3.93Å; Y66-P464 HydrophobicContact CE2-CG 3.68Å; Y66-P464 HydrophobicContact CG-CG 4.08Å; P464-V468 WeakPolarHBondContact O-CG2 3.37Å; P464-V468 PolarHBondContact O-N 3.4Å
465	G	92.2	Very high	96	Very high	55 Å²	55	17.7 Å²	17.7	57%	0.567	10%	0.104	S	C	*	.	H	α-helix	trans	-65.7	-35.8	172.9	0	0	0	0	0	113.5	M463 A469	M463-G465 VanDerWaalsContact C-N 3.3Å; M463-G465 PolarHBondContact O-N 3.36Å; G465-A469 WeakPolarHBondContact O-CB 3.33Å; G465-A469 PolarHBondContact O-N 3.01Å
466	K	95.1	Very high	96	Very high	43 Å²	43	24.8 Å²	24.8	19%	0.187	14%	0.135	C	C	.	.	H	α-helix	trans	-71.7	-38.3	177.8	-67.1	-170.3	178.4	-163.3	0	111.9	M463 V468 A469 F470 L523 C524 L525	M463-K466 HydrophobicContact CB-CB 4.26Å; M463-K466 HydrophobicContact CB-CD 4.23Å; M463-K466 HydrophobicContact CB-CG 4.04Å; M463-K466 HydrophobicContact CG-CD 4.43Å; M463-K466 WeakPolarHBondContact O-CA 2.86Å; M463-K466 WeakPolarHBondContact O-CB 3.39Å; M463-K466 PolarHBondContact O-N 2.86Å; M463-K466 HydrophobicContact SD-CD 4.01Å; K466-V468 PolarHBondContact O-N 2.7Å; K466-A469 PolarHBondContact O-N 2.94Å; K466-F470 WeakPolarHBondContact O-CB 3.36Å; K466-F470 PolarHBondContact O-N 3.31Å; K466-L523 WeakPolarHBondContact CD-O 3.36Å; K466-L523 WeakPolarHBondContact CE-O 3.45Å; K466-L523 PolarHBondContact NZ-O 3.35Å; K466-C524 PolarHBondContact NZ-O 3.02Å; K466-L525 HydrophobicContact CB-CD2 4.26Å; K466-L525 HydrophobicContact CD-CD2 3.84Å
467	V	95.1	Very high	96	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-53.5	-45.2	174.4	178.7	0	0	0	0	111.1	L461 M463 A471 V483 A494	L461-V467 HydrophobicContact CB-CG2 3.88Å; L461-V467 HydrophobicContact CD1-CB 4.47Å; L461-V467 HydrophobicContact CD1-CG2 4.39Å; M463-V467 WeakPolarHBondContact O-CG2 3.4Å; M463-V467 PolarHBondContact O-N 3.43Å; M463-V467 VanDerWaalsContact O-N 3.09Å; V467-A471 PolarHBondContact O-N 3.2Å; V467-V483 HydrophobicContact CG1-CB 3.76Å; V467-V483 HydrophobicContact CG1-CG1 4.17Å; V467-V483 HydrophobicContact CG1-CG2 4.21Å; V467-A494 HydrophobicContact CG2-CB 3.51Å
468	V	93.9	Very high	96	Very high	15 Å²	15	31.6 Å²	31.6	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-75.5	-41.8	-178.4	170.3	0	0	0	0	112.2	V118 P464 K466 F470 R472	V118-V468 HydrophobicContact CB-CG1 4.28Å; V118-V468 HydrophobicContact CB-CG2 3.74Å; V118-V468 HydrophobicContact CG1-CB 4.38Å; V118-V468 HydrophobicContact CG1-CG1 3.93Å; V118-V468 HydrophobicContact CG1-CG2 3.65Å; V118-V468 HydrophobicContact CG2-CG2 4.33Å; P464-V468 WeakPolarHBondContact O-CG2 3.37Å; P464-V468 PolarHBondContact O-N 3.4Å; K466-V468 PolarHBondContact O-N 2.7Å; V468-F470 VanDerWaalsContact C-N 3.33Å; V468-F470 PolarHBondContact O-N 2.77Å; V468-R472 WeakPolarHBondContact O-CG 3.28Å; V468-R472 PolarHBondContact O-N 2.93Å
469	A	96.7	Very high	96.1	Very high	30 Å²	30	31.6 Å²	31.6	25%	0.248	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-44.2	174.3	0	0	0	0	0	111.1	G465 K466 R472 E473 L523	G465-A469 WeakPolarHBondContact O-CB 3.33Å; G465-A469 PolarHBondContact O-N 3.01Å; K466-A469 PolarHBondContact O-N 2.94Å; A469-R472 PolarHBondContact O-N 3.34Å; A469-E473 WeakPolarHBondContact O-CB 3.25Å; A469-E473 WeakPolarHBondContact O-CG 3.25Å; A469-E473 PolarHBondContact O-N 2.88Å; A469-L523 HydrophobicContact CB-CD1 3.95Å; A469-L523 HydrophobicContact CB-CD2 3.71Å
470	F	98	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-51.3	179.8	-178.9	-88.7	0	0	0	112.4	L461 K466 V468 R472 E473 M474 V481 V483 A496 F498 M516 V519 L523 L525	L461-F470 HydrophobicContact CD1-CB 3.94Å; L461-F470 HydrophobicContact CD1-CD1 3.75Å; L461-F470 HydrophobicContact CD1-CD2 4.43Å; L461-F470 HydrophobicContact CD1-CE1 4.34Å; L461-F470 HydrophobicContact CD1-CG 3.79Å; L461-F470 HydrophobicContact CD2-CD2 3.9Å; L461-F470 HydrophobicContact CD2-CE2 4.11Å; L461-F470 HydrophobicContact CD2-CG 4.1Å; K466-F470 WeakPolarHBondContact O-CB 3.36Å; K466-F470 PolarHBondContact O-N 3.31Å; V468-F470 VanDerWaalsContact C-N 3.33Å; V468-F470 PolarHBondContact O-N 2.77Å; F470-R472 VanDerWaalsContact C-N 3.31Å; F470-R472 PolarHBondContact O-N 3.49Å; F470-E473 PolarHBondContact O-N 3.26Å; F470-M474 HydrophobicContact CD1-CG 4.08Å; F470-M474 HydrophobicContact CD2-CG 4.48Å; F470-M474 HydrophobicContact CE1-CG 3.8Å; F470-M474 HydrophobicContact CE2-CG 4.26Å; F470-M474 HydrophobicContact CE2-SD 4.48Å; F470-M474 HydrophobicContact CG-CG 4.41Å; F470-M474 HydrophobicContact CZ-CG 3.93Å; F470-M474 HydrophobicContact CZ-SD 4.37Å; F470-M474 WeakPolarHBondContact O-CB 3.42Å; F470-M474 VanDerWaalsContact O-CG 3.28Å; F470-M474 WeakPolarHBondContact O-CG 3.39Å; F470-M474 PolarHBondContact O-N 2.9Å; F470-V481 HydrophobicContact CD1-CG2 4.32Å; F470-V481 HydrophobicContact CE1-CB 4.46Å; F470-V481 HydrophobicContact CE1-CG1 4.46Å; F470-V481 HydrophobicContact CE1-CG2 4.05Å; F470-V483 HydrophobicContact CD1-CG1 4.02Å; F470-A496 HydrophobicContact CD1-CB 4Å; F470-A496 HydrophobicContact CE1-CB 3.33Å; F470-A496 HydrophobicContact CZ-CB 3.92Å; F470-F498 HydrophobicContact CE1-CE2 4.37Å; F470-F498 HydrophobicContact CE1-CZ 4.28Å; F470-F498 HydrophobicContact CZ-CE2 4.04Å; F470-F498 AromaticContact CZ-CZ 3.9Å; F470-F498 HydrophobicContact CZ-CZ 3.9Å; F470-M516 HydrophobicContact CE2-CE 4.08Å; F470-M516 HydrophobicContact CE2-SD 3.67Å; F470-M516 HydrophobicContact CZ-CE 3.94Å; F470-M516 HydrophobicContact CZ-SD 3.45Å; F470-M516 WeakPolarHBondContact CZ-SD 3.24Å; F470-V519 HydrophobicContact CD2-CG1 3.69Å; F470-V519 HydrophobicContact CE2-CG1 4.14Å; F470-L523 HydrophobicContact CB-CD1 3.83Å; F470-L523 HydrophobicContact CD2-CD1 4.41Å; F470-L525 HydrophobicContact CD2-CD1 3.62Å; F470-L525 HydrophobicContact CE2-CD1 4.17Å
471	A	96.8	Very high	96	Very high	8 Å²	8	33.3 Å²	33.3	7%	0.066	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-38.7	179.2	0	0	0	0	0	112.7	N121 V467 L475 V483	N121-A471 HydrophobicContact CB-CB 4.21Å; N121-A471 VanDerWaalsContact OD1-CB 3.28Å; N121-A471 WeakPolarHBondContact OD1-CB 3.28Å; V467-A471 PolarHBondContact O-N 3.2Å; A471-L475 WeakPolarHBondContact O-CB 3.4Å; A471-L475 PolarHBondContact O-N 2.99Å; A471-L475 VanDerWaalsContact O-N 3.12Å; A471-V483 HydrophobicContact CB-CB 4.46Å; A471-V483 HydrophobicContact CB-CG1 3.9Å; A471-V483 HydrophobicContact CB-CG2 3.7Å
472	R	96.4	Very high	96	Very high	98 Å²	98	35.6 Å²	35.6	37%	0.37	19%	0.189	S	C	.	.	H	α-helix	trans	-67.2	-44.3	174.6	-67.7	174.5	177.5	161.4	1.9	112.1	D120 N121 V468 A469 F470 L475 K476	D120-R472 VanDerWaalsContact CG-NH2 3.28Å; D120-R472 IonicContact OD1-CZ 3.79Å; D120-R472 IonicContact OD1-NE 3.8Å; D120-R472 IonicContact OD1-NH2 3.99Å; D120-R472 PolarHBondContact OD1-NH2 3.47Å; D120-R472 IonicContact OD2-CZ 2.84Å; D120-R472 IonicContact OD2-NE 2.74Å; D120-R472 PolarHBondContact OD2-NE 3.31Å; D120-R472 IonicContact OD2-NH2 3.92Å; D120-R472 PolarHBondContact OD2-NH2 2.89Å; D120-R472 VanDerWaalsContact OD2-NH2 3.13Å; N121-R472 WeakPolarHBondContact OD1-CG 3.41Å; V468-R472 WeakPolarHBondContact O-CG 3.28Å; V468-R472 PolarHBondContact O-N 2.93Å; A469-R472 PolarHBondContact O-N 3.34Å; F470-R472 VanDerWaalsContact C-N 3.31Å; F470-R472 PolarHBondContact O-N 3.49Å; R472-L475 PolarHBondContact O-N 3.12Å; R472-K476 WeakPolarHBondContact O-CG 3.39Å; R472-K476 PolarHBondContact O-N 2.79Å
473	E	98	Very high	96	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.154	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-35.4	-179.9	-74	-50	122.3	0	0	113.5	A469 F470 K476 R477 V519 L522	A469-E473 WeakPolarHBondContact O-CB 3.25Å; A469-E473 WeakPolarHBondContact O-CG 3.25Å; A469-E473 PolarHBondContact O-N 2.88Å; F470-E473 PolarHBondContact O-N 3.26Å; E473-K476 WeakPolarHBondContact OE1-CE 3.42Å; E473-K476 IonicContact OE1-NZ 2.65Å; E473-K476 PolarHBondContact OE1-NZ 2.99Å; E473-K476 IonicContact OE2-NZ 3.8Å; E473-R477 VanDerWaalsContact O-CD 3.3Å; E473-R477 WeakPolarHBondContact O-CD 3.38Å; E473-R477 VanDerWaalsContact O-CG 3.3Å; E473-R477 WeakPolarHBondContact O-CG 3.22Å; E473-R477 PolarHBondContact O-N 3.33Å; E473-R477 PolarHBondContact O-NH1 2.83Å; E473-R477 IonicContact OE2-CZ 2.84Å; E473-R477 IonicContact OE2-NH1 2.86Å; E473-R477 PolarHBondContact OE2-NH1 2.96Å; E473-V519 HydrophobicContact CB-CG1 4.16Å; E473-V519 HydrophobicContact CB-CG2 4.03Å; E473-L522 HydrophobicContact CG-CD2 4.32Å
474	M	98	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-39.9	173.9	-66.3	-59.9	-77.4	0	0	111.5	F470 R477 K478 I479 V481 F498 M516 V519	F470-M474 HydrophobicContact CD1-CG 4.08Å; F470-M474 HydrophobicContact CD2-CG 4.48Å; F470-M474 HydrophobicContact CE1-CG 3.8Å; F470-M474 HydrophobicContact CE2-CG 4.26Å; F470-M474 HydrophobicContact CE2-SD 4.48Å; F470-M474 HydrophobicContact CG-CG 4.41Å; F470-M474 HydrophobicContact CZ-CG 3.93Å; F470-M474 HydrophobicContact CZ-SD 4.37Å; F470-M474 WeakPolarHBondContact O-CB 3.42Å; F470-M474 VanDerWaalsContact O-CG 3.28Å; F470-M474 WeakPolarHBondContact O-CG 3.39Å; F470-M474 PolarHBondContact O-N 2.9Å; M474-R477 CarbonylContact O-C 3.3Å; M474-R477 WeakPolarHBondContact O-CA 3.42Å; M474-R477 WeakPolarHBondContact O-CB 3.44Å; M474-R477 PolarHBondContact O-N 2.83Å; M474-R477 VanDerWaalsContact O-N 3.11Å; M474-K478 PolarHBondContact O-N 2.74Å; M474-I479 CarbonylContact C-O 3.04Å; M474-I479 HydrophobicContact CB-CB 4.43Å; M474-I479 HydrophobicContact CE-CB 3.98Å; M474-I479 HydrophobicContact CE-CD1 3.61Å; M474-I479 HydrophobicContact CE-CG1 4.4Å; M474-I479 HydrophobicContact CE-CG2 3.79Å; M474-I479 PolarHBondContact O-N 3.09Å; M474-I479 HydrophobicContact SD-CD1 4.44Å; M474-V481 HydrophobicContact CB-CG1 4.13Å; M474-V481 HydrophobicContact CB-CG2 3.87Å; M474-V481 HydrophobicContact CE-CG1 4.06Å; M474-V481 HydrophobicContact CG-CG1 4.24Å; M474-V481 HydrophobicContact CG-CG2 4.23Å; M474-F498 HydrophobicContact CE-CE1 4.44Å; M474-F498 HydrophobicContact CE-CZ 4.3Å; M474-M516 HydrophobicContact CE-CG 3.9Å; M474-M516 HydrophobicContact CE-SD 3.61Å; M474-M516 HydrophobicContact SD-SD 4.07Å; M474-V519 HydrophobicContact SD-CB 4.36Å; M474-V519 HydrophobicContact SD-CG1 4.49Å; M474-V519 HydrophobicContact SD-CG2 4.08Å
475	L	96.9	Very high	95.8	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-39.5	176.4	-180	60.3	0	0	0	112.5	L136 A471 R472 R477 K478	L136-L475 HydrophobicContact CD1-CD1 3.72Å; A471-L475 WeakPolarHBondContact O-CB 3.4Å; A471-L475 PolarHBondContact O-N 2.99Å; A471-L475 VanDerWaalsContact O-N 3.12Å; R472-L475 PolarHBondContact O-N 3.12Å; L475-R477 PolarHBondContact O-N 2.81Å; L475-K478 WeakPolarHBondContact O-CA 3.32Å; L475-K478 PolarHBondContact O-N 3.26Å
476	K	96.9	Very high	95.3	Very high	149 Å²	149	34.9 Å²	34.9	65%	0.648	17%	0.173	S	C	*	.	H	α-helix	trans	-54.3	-34.5	171.4	-75.5	174.7	-178.8	177.6	0	112.3	R472 E473 K478	R472-K476 WeakPolarHBondContact O-CG 3.39Å; R472-K476 PolarHBondContact O-N 2.79Å; E473-K476 WeakPolarHBondContact OE1-CE 3.42Å; E473-K476 IonicContact OE1-NZ 2.65Å; E473-K476 PolarHBondContact OE1-NZ 2.99Å; E473-K476 IonicContact OE2-NZ 3.8Å; K476-K478 VanDerWaalsContact C-N 3.26Å; K476-K478 PolarHBondContact O-N 2.85Å
477	R	97.8	Very high	94.4	Very high	56 Å²	56	37.8 Å²	37.8	21%	0.211	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	7.2	179.3	-65.5	166.7	164.4	79.3	0.6	113.5	E473 M474 L475 I479 Q515 E518	E473-R477 VanDerWaalsContact O-CD 3.3Å; E473-R477 WeakPolarHBondContact O-CD 3.38Å; E473-R477 VanDerWaalsContact O-CG 3.3Å; E473-R477 WeakPolarHBondContact O-CG 3.22Å; E473-R477 PolarHBondContact O-N 3.33Å; E473-R477 PolarHBondContact O-NH1 2.83Å; E473-R477 IonicContact OE2-CZ 2.84Å; E473-R477 IonicContact OE2-NH1 2.86Å; E473-R477 PolarHBondContact OE2-NH1 2.96Å; M474-R477 CarbonylContact O-C 3.3Å; M474-R477 WeakPolarHBondContact O-CA 3.42Å; M474-R477 WeakPolarHBondContact O-CB 3.44Å; M474-R477 PolarHBondContact O-N 2.83Å; M474-R477 VanDerWaalsContact O-N 3.11Å; L475-R477 PolarHBondContact O-N 2.81Å; R477-I479 HydrophobicContact CB-CD1 4.33Å; R477-Q515 HydrophobicContact CB-CG 4.47Å; R477-E518 IonicContact NE-OE2 3.12Å
478	K	97.7	Very high	93.7	Very high	86 Å²	86	40.8 Å²	40.8	37%	0.374	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	44.4	-174.7	-56.7	-171.7	172.5	-160.9	0	113.4	H156 V158 I159 M474 L475 K476	H156-K478 WeakPolarHBondContact O-CD 3.43Å; H156-K478 WeakPolarHBondContact O-CE 3.14Å; H156-K478 PolarHBondContact O-NZ 3.02Å; V158-K478 CarbonylContact C-O 3.58Å; V158-K478 WeakPolarHBondContact CA-O 3.28Å; V158-K478 HydrophobicContact CG2-CB 4.43Å; I159-K478 PolarHBondContact N-O 3.11Å; M474-K478 PolarHBondContact O-N 2.74Å; L475-K478 WeakPolarHBondContact O-CA 3.32Å; L475-K478 PolarHBondContact O-N 3.26Å; K476-K478 VanDerWaalsContact C-N 3.26Å; K476-K478 PolarHBondContact O-N 2.85Å
479	I	98.2	Very high	93.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.8	172.9	-52	166.6	0	0	0	109	M161 M474 R477 V481 V512 Q515	M161-I479 HydrophobicContact CB-CG2 4.36Å; M161-I479 HydrophobicContact CG-CG2 3.67Å; M474-I479 CarbonylContact C-O 3.04Å; M474-I479 HydrophobicContact CB-CB 4.43Å; M474-I479 HydrophobicContact CE-CB 3.98Å; M474-I479 HydrophobicContact CE-CD1 3.61Å; M474-I479 HydrophobicContact CE-CG1 4.4Å; M474-I479 HydrophobicContact CE-CG2 3.79Å; M474-I479 PolarHBondContact O-N 3.09Å; M474-I479 HydrophobicContact SD-CD1 4.44Å; R477-I479 HydrophobicContact CB-CD1 4.33Å; I479-V481 HydrophobicContact CG2-CG1 4.03Å; I479-V481 PolarHBondContact O-N 2.96Å; I479-V512 HydrophobicContact CD1-CB 4.37Å; I479-V512 HydrophobicContact CD1-CG1 4.43Å; I479-V512 HydrophobicContact CD1-CG2 4.01Å; I479-V512 HydrophobicContact CG1-CG2 4.15Å; I479-V512 HydrophobicContact CG2-CG1 4.29Å; I479-V512 HydrophobicContact CG2-CG2 3.96Å; I479-Q515 HydrophobicContact CD1-CB 3.64Å; I479-Q515 HydrophobicContact CD1-CG 4.15Å
480	G	96.6	Very high	92.8	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	102.4	179.6	0	0	0	0	0	111.1	V158 I159 M161 G162	V158-G480 VanDerWaalsContact CG1-N 3.31Å; I159-G480 PolarHBondContact O-N 3.33Å; M161-G480 CarbonylContact C-O 3.34Å; M161-G480 WeakPolarHBondContact CA-O 3.43Å; M161-G480 PolarHBondContact N-O 3.22Å; G162-G480 PolarHBondContact N-O 2.97Å
481	V	96.2	Very high	92.1	Very high	24 Å²	24	44.9 Å²	44.9	15%	0.145	24%	0.242	C	C	.	.			trans	-110.5	149.2	179.2	-61.2	0	0	0	0	111.4	F470 M474 I479 F498	F470-V481 HydrophobicContact CD1-CG2 4.32Å; F470-V481 HydrophobicContact CE1-CB 4.46Å; F470-V481 HydrophobicContact CE1-CG1 4.46Å; F470-V481 HydrophobicContact CE1-CG2 4.05Å; M474-V481 HydrophobicContact CB-CG1 4.13Å; M474-V481 HydrophobicContact CB-CG2 3.87Å; M474-V481 HydrophobicContact CE-CG1 4.06Å; M474-V481 HydrophobicContact CG-CG1 4.24Å; M474-V481 HydrophobicContact CG-CG2 4.23Å; I479-V481 HydrophobicContact CG2-CG1 4.03Å; I479-V481 PolarHBondContact O-N 2.96Å; V481-F498 HydrophobicContact CG1-CE1 3.73Å; V481-F498 HydrophobicContact CG1-CZ 3.72Å
482	V	95.1	Very high	91.6	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.291	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.7	169.9	176	0	0	0	0	109.2	V484 A496 R497	V482-V484 HydrophobicContact CG1-CG2 4.05Å; V482-A496 WeakPolarHBondContact O-CA 3.48Å; V482-R497 PolarHBondContact O-N 3.38Å
483	V	95.8	Very high	91.4	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.1	169.5	-72.6	0	0	0	0	111.3	N121 W122 L461 V467 F470 A471 R495 A496	N121-V483 HydrophobicContact CB-CG2 4.47Å; W122-V483 HydrophobicContact CZ2-CG2 3.87Å; W122-V483 PolarHBondContact NE1-O 3.01Å; L461-V483 HydrophobicContact CD1-CG1 4.07Å; V467-V483 HydrophobicContact CG1-CB 3.76Å; V467-V483 HydrophobicContact CG1-CG1 4.17Å; V467-V483 HydrophobicContact CG1-CG2 4.21Å; F470-V483 HydrophobicContact CD1-CG1 4.02Å; A471-V483 HydrophobicContact CB-CB 4.46Å; A471-V483 HydrophobicContact CB-CG1 3.9Å; A471-V483 HydrophobicContact CB-CG2 3.7Å; V483-R495 CarbonylContact C-O 3.5Å; V483-R495 WeakPolarHBondContact CA-O 3.49Å; V483-A496 HydrophobicContact CG1-CB 4.16Å
484	V	92.7	Very high	91.2	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.085	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.3	-175.3	-169.5	0	0	0	0	108.8	M308 V482 A488 T489 A494 R495 R497	M308-V484 HydrophobicContact SD-CG1 4.34Å; V482-V484 HydrophobicContact CG1-CG2 4.05Å; V484-A488 HydrophobicContact CG1-CB 3.75Å; V484-T489 HydrophobicContact CG1-CG2 3.82Å; V484-A494 CarbonylContact O-C 3.29Å; V484-A494 VanDerWaalsContact O-CA 3.28Å; V484-A494 WeakPolarHBondContact O-CA 3.3Å; V484-R495 HydrophobicContact CB-CG 4.23Å; V484-R495 PolarHBondContact N-O 2.79Å; V484-R495 PolarHBondContact O-N 3.16Å; V484-R497 HydrophobicContact CG2-CB 4.44Å
485	G	87.3	Confident	91.1	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	23%	0.234	C	C	.	.			trans	-159.6	-169.6	175.5	0	0	0	0	0	109.9	A488 T489	G485-A488 PolarHBondContact O-N 3.28Å; G485-T489 WeakPolarHBondContact CA-OG1 3.42Å; G485-T489 PolarHBondContact O-N 3.35Å
486	F	82.9	Confident	91.1	Very high	63 Å²	63	40.6 Å²	40.6	28%	0.276	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	135.8	176	-175.9	-88	0	0	0	112.3	F106 Y110 T489 I491	F106-F486 AromaticContact CE1-CE1 3.74Å; F106-F486 HydrophobicContact CE1-CE1 3.74Å; F106-F486 AromaticContact CE1-CZ 3.96Å; F106-F486 HydrophobicContact CE1-CZ 3.96Å; Y110-F486 HydrophobicContact CD2-CD1 4.4Å; Y110-F486 HydrophobicContact CE1-CD1 4.36Å; Y110-F486 AromaticContact CE2-CD1 3.94Å; Y110-F486 HydrophobicContact CE2-CD1 3.94Å; Y110-F486 AromaticContact CZ-CD1 3.9Å; Y110-F486 PolarHBondContact OH-O 2.88Å; F486-T489 VanDerWaalsContact CA-O 3.27Å; F486-T489 WeakPolarHBondContact CA-O 3.44Å; F486-T489 PolarHBondContact N-O 3.33Å; F486-I491 HydrophobicContact CB-CG1 3.85Å; F486-I491 HydrophobicContact CD2-CD1 4.11Å; F486-I491 HydrophobicContact CD2-CG1 3.54Å; F486-I491 HydrophobicContact CE2-CD1 4.45Å; F486-I491 HydrophobicContact CE2-CG1 4.32Å; F486-I491 HydrophobicContact CG-CD1 4.39Å; F486-I491 HydrophobicContact CG-CG1 3.76Å
487	P	75.1	Confident	91.1	Very high	104 Å²	104	34.5 Å²	34.5	68%	0.675	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.7	-3.3	6	34.4	-37	0	0	0	116	T489	P487-T489 PolarHBondContact O-N 3.05Å
488	A	81.1	Confident	91.1	Very high	70 Å²	70	31.8 Å²	31.8	58%	0.579	19%	0.19	S	C	*	.	S	Bend	trans	-76.4	-19.5	-174.5	0	0	0	0	0	114.5	V484 G485	V484-A488 HydrophobicContact CG1-CB 3.75Å; G485-A488 PolarHBondContact O-N 3.28Å
489	T	84.4	Confident	91.1	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.043	17%	0.172	C	C	.	.	S	Bend	trans	-137.8	164.1	167.6	55.8	0	0	0	0	109.9	M308 V484 G485 F486 P487 E493	M308-T489 HydrophobicContact CB-CG2 4.2Å; M308-T489 HydrophobicContact CG-CG2 4.34Å; V484-T489 HydrophobicContact CG1-CG2 3.82Å; G485-T489 WeakPolarHBondContact CA-OG1 3.42Å; G485-T489 PolarHBondContact O-N 3.35Å; F486-T489 VanDerWaalsContact CA-O 3.27Å; F486-T489 WeakPolarHBondContact CA-O 3.44Å; F486-T489 PolarHBondContact N-O 3.33Å; P487-T489 PolarHBondContact O-N 3.05Å; T489-E493 PolarHBondContact OG1-O 2.97Å
490	P	86.3	Confident	91.1	Very high	66 Å²	66	27.7 Å²	27.7	43%	0.429	17%	0.172	S	C	.	.			trans	-53.6	147.3	173.3	-27	35.7	0	0	0	112.7	T492 E493	P490-T492 PolarHBondContact O-N 3Å; P490-T492 VanDerWaalsContact O-N 3.08Å; P490-E493 HydrophobicContact CB-CB 4.39Å; P490-E493 HydrophobicContact CB-CG 4.32Å; P490-E493 PolarHBondContact O-N 3.18Å
491	I	84.8	Confident	91.2	Very high	57 Å²	57	27.6 Å²	27.6	29%	0.292	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-52.6	-33.6	179.4	-67.3	178.6	0	0	0	111.9	Y66 F486	Y66-I491 HydrophobicContact CD1-CG2 4.07Å; Y66-I491 HydrophobicContact CD2-CG2 3.36Å; Y66-I491 HydrophobicContact CE1-CG2 4.2Å; Y66-I491 HydrophobicContact CE2-CB 4.5Å; Y66-I491 HydrophobicContact CE2-CG2 3.51Å; Y66-I491 WeakPolarHBondContact CE2-O 3.24Å; Y66-I491 HydrophobicContact CG-CG2 3.65Å; F486-I491 HydrophobicContact CB-CG1 3.85Å; F486-I491 HydrophobicContact CD2-CD1 4.11Å; F486-I491 HydrophobicContact CD2-CG1 3.54Å; F486-I491 HydrophobicContact CE2-CD1 4.45Å; F486-I491 HydrophobicContact CE2-CG1 4.32Å; F486-I491 HydrophobicContact CG-CD1 4.39Å; F486-I491 HydrophobicContact CG-CG1 3.76Å
492	T	86.5	Confident	91.2	Very high	38 Å²	38	27 Å²	27	23%	0.233	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-84.6	3.1	178.7	48.3	0	0	0	0	114.8	Y63 Y462 P490	Y63-T492 HydrophobicContact CD2-CG2 4.25Å; Y63-T492 HydrophobicContact CE1-CG2 3.96Å; Y63-T492 HydrophobicContact CE2-CG2 3.49Å; Y63-T492 VanDerWaalsContact CE2-CG2 3.49Å; Y63-T492 WeakPolarHBondContact OH-CG2 3.48Å; Y462-T492 WeakPolarHBondContact CD1-O 3.25Å; P490-T492 PolarHBondContact O-N 3Å; P490-T492 VanDerWaalsContact O-N 3.08Å
493	E	90.9	Very high	91.3	Very high	38 Å²	38	25.8 Å²	25.8	18%	0.178	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-138.4	33.3	-171.7	-57.2	-159.4	139.5	0	0	113.6	Y449 L460 T489 P490 R495	Y449-E493 VanDerWaalsContact CE2-OE1 3.26Å; Y449-E493 WeakPolarHBondContact CE2-OE1 3.33Å; Y449-E493 PolarHBondContact OH-OE1 2.96Å; L460-E493 HydrophobicContact CD1-CB 4.23Å; T489-E493 PolarHBondContact OG1-O 2.97Å; P490-E493 HydrophobicContact CB-CB 4.39Å; P490-E493 HydrophobicContact CB-CG 4.32Å; P490-E493 PolarHBondContact O-N 3.18Å; E493-R495 PolarHBondContact O-NE 2.8Å; E493-R495 IonicContact OE2-NH2 3.27Å; E493-R495 PolarHBondContact OE2-NH2 2.69Å
494	A	94.4	Very high	91.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	16%	0.161	C	C	.	.			trans	-62.7	138.6	170.1	0	0	0	0	0	110.9	L461 Y462 V467 V484	L461-A494 PolarHBondContact N-O 3.19Å; Y462-A494 PolarHBondContact N-O 3.13Å; V467-A494 HydrophobicContact CG2-CB 3.51Å; V484-A494 CarbonylContact O-C 3.29Å; V484-A494 VanDerWaalsContact O-CA 3.28Å; V484-A494 WeakPolarHBondContact O-CA 3.3Å
495	R	96.1	Very high	91.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.8	-159.8	58.6	-173.2	77.6	163.4	9	112.4	M308 E309 V459 L460 V483 V484 E493	M308-R495 PolarHBondContact O-NH1 2.87Å; E309-R495 IonicContact OE1-CZ 3.53Å; E309-R495 IonicContact OE1-NH1 3.47Å; E309-R495 PolarHBondContact OE1-NH1 2.88Å; E309-R495 IonicContact OE1-NH2 3.36Å; E309-R495 PolarHBondContact OE1-NH2 3.49Å; V459-R495 CarbonylContact O-C 3.54Å; V459-R495 WeakPolarHBondContact O-CA 3.35Å; V459-R495 WeakPolarHBondContact O-CB 3.47Å; L460-R495 HydrophobicContact CD1-CB 4.33Å; V483-R495 CarbonylContact C-O 3.5Å; V483-R495 WeakPolarHBondContact CA-O 3.49Å; V484-R495 HydrophobicContact CB-CG 4.23Å; V484-R495 PolarHBondContact N-O 2.79Å; V484-R495 PolarHBondContact O-N 3.16Å; E493-R495 PolarHBondContact O-NE 2.8Å; E493-R495 IonicContact OE2-NH2 3.27Å; E493-R495 PolarHBondContact OE2-NH2 2.69Å
496	A	97.1	Very high	92.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.2	161.1	0	0	0	0	0	108.6	P458 V459 L461 F470 V482 V483 F498	P458-A496 CarbonylContact C-O 3.53Å; P458-A496 WeakPolarHBondContact CA-O 3.07Å; V459-A496 PolarHBondContact N-O 3.35Å; V459-A496 PolarHBondContact O-N 3.39Å; L461-A496 HydrophobicContact CD1-CB 3.96Å; L461-A496 HydrophobicContact CG-CB 4.45Å; F470-A496 HydrophobicContact CD1-CB 4Å; F470-A496 HydrophobicContact CE1-CB 3.33Å; F470-A496 HydrophobicContact CZ-CB 3.92Å; V482-A496 WeakPolarHBondContact O-CA 3.48Å; V483-A496 HydrophobicContact CG1-CB 4.16Å; A496-F498 HydrophobicContact CB-CD2 4.26Å; A496-F498 HydrophobicContact CB-CE2 3.7Å; A496-F498 PolarHBondContact O-N 3.14Å
497	R	96.7	Very high	92.9	Very high	21 Å²	21	33.9 Å²	33.9	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	102.7	176.5	-171	-170.3	65.1	-126.1	-3.1	108.8	Y164 S307 M308 V456 V482 V484	Y164-R497 PolarHBondContact OH-NH1 2.95Å; Y164-R497 PolarHBondContact OH-NH2 2.74Å; S307-R497 WeakPolarHBondContact O-CD 3.45Å; M308-R497 PolarHBondContact SD-NH1 3.19Å; V456-R497 HydrophobicContact CG1-CG 3.77Å; V482-R497 PolarHBondContact O-N 3.38Å; V484-R497 HydrophobicContact CG2-CB 4.44Å
498	F	97.9	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.9	168.4	-68.4	-102.3	0	0	0	109.1	M161 F437 V457 V459 F470 M474 V481 A496 V512 M516	M161-F498 HydrophobicContact CB-CD1 3.76Å; M161-F498 HydrophobicContact CB-CE1 4.11Å; M161-F498 HydrophobicContact CE-CD1 3.95Å; M161-F498 HydrophobicContact CG-CD1 4.27Å; M161-F498 HydrophobicContact CG-CE1 4.41Å; M161-F498 CarbonylContact O-C 3.57Å; M161-F498 WeakPolarHBondContact O-CA 3.21Å; F437-F498 HydrophobicContact CE1-CB 3.88Å; F437-F498 AromaticContact CE1-CD1 3.77Å; F437-F498 HydrophobicContact CE1-CD1 3.77Å; F437-F498 AromaticContact CE1-CG 3.82Å; F437-F498 HydrophobicContact CE1-CG 3.82Å; F437-F498 AromaticContact CZ-CD1 3.58Å; F437-F498 HydrophobicContact CZ-CD1 3.58Å; F437-F498 AromaticContact CZ-CE1 4Å; F437-F498 HydrophobicContact CZ-CE1 4Å; F437-F498 HydrophobicContact CZ-CG 4.11Å; V457-F498 HydrophobicContact CB-CB 4.15Å; V457-F498 PolarHBondContact N-O 2.91Å; V457-F498 WeakPolarHBondContact O-CB 3.39Å; V457-F498 PolarHBondContact O-N 3.15Å; V459-F498 HydrophobicContact CB-CD2 4.41Å; V459-F498 HydrophobicContact CB-CE2 4.24Å; V459-F498 HydrophobicContact CG2-CD2 3.76Å; V459-F498 HydrophobicContact CG2-CE2 3.81Å; F470-F498 HydrophobicContact CE1-CE2 4.37Å; F470-F498 HydrophobicContact CE1-CZ 4.28Å; F470-F498 HydrophobicContact CZ-CE2 4.04Å; F470-F498 AromaticContact CZ-CZ 3.9Å; F470-F498 HydrophobicContact CZ-CZ 3.9Å; M474-F498 HydrophobicContact CE-CE1 4.44Å; M474-F498 HydrophobicContact CE-CZ 4.3Å; V481-F498 HydrophobicContact CG1-CE1 3.73Å; V481-F498 HydrophobicContact CG1-CZ 3.72Å; A496-F498 HydrophobicContact CB-CD2 4.26Å; A496-F498 HydrophobicContact CB-CE2 3.7Å; A496-F498 PolarHBondContact O-N 3.14Å; F498-V512 HydrophobicContact CE1-CG1 4.14Å; F498-M516 HydrophobicContact CE1-SD 4.24Å; F498-M516 HydrophobicContact CE2-CE 3.93Å; F498-M516 HydrophobicContact CE2-SD 4.13Å; F498-M516 HydrophobicContact CZ-CE 3.86Å; F498-M516 HydrophobicContact CZ-CG 4.33Å; F498-M516 HydrophobicContact CZ-SD 3.47Å; F498-M516 WeakPolarHBondContact CZ-SD 3.48Å
499	C	97.6	Very high	94.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.3	175	-61.6	0	0	0	0	107.8	M161 S163 Y164 P455	M161-C499 PolarHBondContact O-N 3.5Å; S163-C499 WeakPolarHBondContact O-CB 3.44Å; Y164-C499 HydrophobicContact CD1-CB 4.39Å; Y164-C499 VanDerWaalsContact CD1-SG 3.57Å; Y164-C499 VanDerWaalsContact CE1-SG 3.56Å; P455-C499 WeakPolarHBondContact O-CA 3.26Å
500	L	98	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.			trans	-85	154.9	-177.6	-73.7	-55	0	0	0	111.2	M161 Y166 L430 F437 P455 V457 L509	M161-L500 HydrophobicContact CE-CD1 3.84Å; Y166-L500 WeakPolarHBondContact CD1-O 3.35Å; L430-L500 HydrophobicContact CD1-CB 4.22Å; L430-L500 WeakPolarHBondContact CD1-O 3.49Å; F437-L500 HydrophobicContact CB-CD1 4.04Å; F437-L500 HydrophobicContact CB-CG 4.41Å; F437-L500 HydrophobicContact CD1-CD1 4.09Å; F437-L500 HydrophobicContact CD1-CD2 3.91Å; F437-L500 HydrophobicContact CD1-CG 4.48Å; F437-L500 HydrophobicContact CD2-CD1 4.45Å; F437-L500 HydrophobicContact CG-CD1 3.96Å; F437-L500 HydrophobicContact CG-CD2 4.48Å; P455-L500 HydrophobicContact CB-CB 4.32Å; P455-L500 PolarHBondContact O-N 2.81Å; V457-L500 HydrophobicContact CB-CD2 4.11Å; V457-L500 HydrophobicContact CG2-CD2 3.49Å; V457-L500 VanDerWaalsContact CG2-CD2 3.49Å; L500-L509 HydrophobicContact CD1-CD2 3.65Å
501	S	97.9	Very high	96.1	Very high	8 Å²	8	31.7 Å²	31.7	6%	0.056	16%	0.159	C	C	.	.			trans	-133.5	151.6	178.2	-174.3	0	0	0	0	111.2	N165 Y166 N433 S503 H504	N165-S501 WeakPolarHBondContact O-CB 3.26Å; N165-S501 PolarHBondContact O-OG 2.78Å; Y166-S501 CarbonylContact O-C 3.57Å; Y166-S501 WeakPolarHBondContact O-CA 3.47Å; N433-S501 PolarHBondContact ND2-O 3.43Å; S501-S503 PolarHBondContact O-N 2.69Å; S501-S503 PolarHBondContact OG-N 3.31Å; S501-S503 VanDerWaalsContact OG-N 3.14Å; S501-H504 PolarHBondContact N-CE1 3.42Å; S501-H504 PolarHBondContact N-ND1 3.33Å; S501-H504 PolarHBondContact O-N 3.43Å
502	A	97.7	Very high	96.7	Very high	13 Å²	13	29 Å²	29	11%	0.107	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26	163.8	0	0	0	0	0	112.7	Y166 R426 Q429 L430 H504	Y166-A502 PolarHBondContact O-N 3.01Å; R426-A502 HydrophobicContact CB-CB 3.73Å; R426-A502 HydrophobicContact CG-CB 4.01Å; R426-A502 VanDerWaalsContact O-CB 3.27Å; R426-A502 WeakPolarHBondContact O-CB 3.48Å; Q429-A502 HydrophobicContact CB-CB 4.46Å; Q429-A502 VanDerWaalsContact CG-O 3.32Å; Q429-A502 WeakPolarHBondContact CG-O 3.46Å; L430-A502 HydrophobicContact CB-CB 4.35Å; A502-H504 VanDerWaalsContact C-N 3.32Å
503	S	96.1	Very high	97.3	Very high	22 Å²	22	27.4 Å²	27.4	15%	0.154	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.2	178.7	-54.9	0	0	0	0	114.1	P132 G168 E171 S501	P132-S503 VanDerWaalsContact CB-O 3.31Å; P132-S503 WeakPolarHBondContact CB-O 3.48Å; G168-S503 WeakPolarHBondContact CA-OG 3.26Å; E171-S503 WeakPolarHBondContact OE1-CB 3.34Å; E171-S503 PolarHBondContact OE1-OG 3.02Å; E171-S503 PolarHBondContact OE2-OG 2.64Å; S501-S503 PolarHBondContact O-N 2.69Å; S501-S503 PolarHBondContact OG-N 3.31Å; S501-S503 VanDerWaalsContact OG-N 3.14Å
504	H	97.9	Very high	97.7	Very high	5 Å²	5	31 Å²	31	2%	0.023	15%	0.151	C	C	.	.			trans	-77.8	123.2	172.5	-64.1	142.9	0	0	0	110.3	N160 N433 S501 A502 L509	N160-H504 PolarHBondContact O-CE1 2.94Å; N160-H504 PolarHBondContact O-NE2 3.36Å; N433-H504 PolarHBondContact ND2-O 3.39Å; S501-H504 PolarHBondContact N-CE1 3.42Å; S501-H504 PolarHBondContact N-ND1 3.33Å; S501-H504 PolarHBondContact O-N 3.43Å; A502-H504 VanDerWaalsContact C-N 3.32Å; H504-L509 HydrophobicContact CB-CD1 4.41Å; H504-L509 HydrophobicContact CB-CD2 3.88Å; H504-L509 HydrophobicContact CB-CG 4.04Å
505	T	97.8	Very high	97.8	Very high	58 Å²	58	32.3 Å²	32.3	36%	0.356	16%	0.158	S	C	.	.			trans	-80.6	164.9	171.2	79.9	0	0	0	0	110.9	E507 M508 L509	T505-E507 VanDerWaalsContact C-N 3.26Å; T505-E507 WeakPolarHBondContact CB-OE2 3.44Å; T505-E507 PolarHBondContact O-N 2.96Å; T505-E507 PolarHBondContact OG1-OE2 3.48Å; T505-M508 HydrophobicContact CG2-CE 4.13Å; T505-M508 PolarHBondContact O-N 3Å; T505-M508 PolarHBondContact OG1-N 3.45Å; T505-L509 PolarHBondContact O-N 2.7Å; T505-L509 VanDerWaalsContact O-N 3.16Å
506	R	97.6	Very high	97.9	Very high	75 Å²	75	32.3 Å²	32.3	28%	0.283	16%	0.158	S	C	.	.	H	α-helix	trans	-59.3	-40.9	179	-175.1	65.3	64.5	-136	-7.9	111.1	Y436 M508 L509 D510	Y436-R506 VanDerWaalsContact CG-NH1 3.29Å; R506-M508 PolarHBondContact O-N 3.48Å; R506-L509 PolarHBondContact O-N 2.96Å; R506-D510 WeakPolarHBondContact O-CB 3.07Å; R506-D510 VanDerWaalsContact O-CG 3.31Å; R506-D510 PolarHBondContact O-N 3.13Å
507	E	98.3	Very high	97.9	Very high	128 Å²	128	35 Å²	35	60%	0.598	17%	0.172	S	C	*	.	H	α-helix	trans	-67.7	-35.5	-178.3	-48.8	68.4	-142.2	0	0	111.7	T505 K511	T505-E507 VanDerWaalsContact C-N 3.26Å; T505-E507 WeakPolarHBondContact CB-OE2 3.44Å; T505-E507 PolarHBondContact O-N 2.96Å; T505-E507 PolarHBondContact OG1-OE2 3.48Å; E507-K511 VanDerWaalsContact O-CB 3.24Å; E507-K511 WeakPolarHBondContact O-CB 3.43Å; E507-K511 PolarHBondContact O-N 3.35Å
508	M	98.4	Very high	98	Very high	35 Å²	35	37.2 Å²	37.2	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-46.1	171.6	-67.2	-175	-167.7	0	0	111	P132 I133 T505 R506 V512	P132-M508 HydrophobicContact CB-CE 4.44Å; P132-M508 HydrophobicContact CB-SD 4.04Å; P132-M508 HydrophobicContact CG-CE 4.48Å; I133-M508 HydrophobicContact CD1-CE 3.93Å; I133-M508 HydrophobicContact CG1-CE 4.16Å; I133-M508 HydrophobicContact CG1-SD 4.47Å; T505-M508 HydrophobicContact CG2-CE 4.13Å; T505-M508 PolarHBondContact O-N 3Å; T505-M508 PolarHBondContact OG1-N 3.45Å; R506-M508 PolarHBondContact O-N 3.48Å; M508-V512 VanDerWaalsContact O-CG2 3.29Å; M508-V512 WeakPolarHBondContact O-CG2 2.89Å; M508-V512 PolarHBondContact O-N 2.86Å
509	L	98.7	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-43.1	179.2	-63.9	178.4	0	0	0	111.6	M161 N433 Y436 F437 L500 H504 T505 R506 V512 L513	M161-L509 HydrophobicContact CE-CD2 4.03Å; N433-L509 HydrophobicContact CB-CD1 3.76Å; Y436-L509 HydrophobicContact CD1-CD1 4.47Å; F437-L509 HydrophobicContact CD2-CD2 4.06Å; L500-L509 HydrophobicContact CD1-CD2 3.65Å; H504-L509 HydrophobicContact CB-CD1 4.41Å; H504-L509 HydrophobicContact CB-CD2 3.88Å; H504-L509 HydrophobicContact CB-CG 4.04Å; T505-L509 PolarHBondContact O-N 2.7Å; T505-L509 VanDerWaalsContact O-N 3.16Å; R506-L509 PolarHBondContact O-N 2.96Å; L509-V512 CarbonylContact O-C 3.58Å; L509-V512 PolarHBondContact O-N 2.73Å; L509-L513 WeakPolarHBondContact O-CB 3.42Å; L509-L513 WeakPolarHBondContact O-CG 3.45Å; L509-L513 PolarHBondContact O-N 3.05Å
510	D	98.6	Very high	98	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-41.3	178.9	-71.9	-21.2	0	0	0	112	Y436 R506 V512 L513 Q514	Y436-D510 WeakPolarHBondContact CE1-OD1 3.41Å; Y436-D510 VanDerWaalsContact CZ-OD1 3.24Å; Y436-D510 PolarHBondContact OH-OD1 3.33Å; R506-D510 WeakPolarHBondContact O-CB 3.07Å; R506-D510 VanDerWaalsContact O-CG 3.31Å; R506-D510 PolarHBondContact O-N 3.13Å; D510-V512 PolarHBondContact O-N 3.09Å; D510-L513 PolarHBondContact O-N 3.05Å; D510-Q514 WeakPolarHBondContact O-CB 3.42Å; D510-Q514 PolarHBondContact O-N 3.29Å
511	K	98.5	Very high	98	Very high	104 Å²	104	41.4 Å²	41.4	45%	0.452	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-44.1	171.1	178.2	174.2	171.6	-176.4	0	111.7	I159 E507 Q515	I159-K511 HydrophobicContact CD1-CD 4.01Å; I159-K511 HydrophobicContact CD1-CG 4.44Å; E507-K511 VanDerWaalsContact O-CB 3.24Å; E507-K511 WeakPolarHBondContact O-CB 3.43Å; E507-K511 PolarHBondContact O-N 3.35Å; K511-Q515 WeakPolarHBondContact O-CB 3.35Å; K511-Q515 VanDerWaalsContact O-CG 3.25Å; K511-Q515 WeakPolarHBondContact O-CG 3.4Å; K511-Q515 PolarHBondContact O-N 2.93Å; K511-Q515 VanDerWaalsContact O-N 3.12Å
512	V	98.6	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-40.6	175.7	172.5	0	0	0	0	110.9	I159 M161 F437 I479 F498 M508 L509 D510 Q515 M516	I159-V512 HydrophobicContact CB-CG2 4.47Å; I159-V512 HydrophobicContact CD1-CG2 4.12Å; I159-V512 HydrophobicContact CG2-CG2 3.99Å; M161-V512 HydrophobicContact CE-CG1 4.28Å; M161-V512 HydrophobicContact CG-CG1 4.21Å; M161-V512 HydrophobicContact CG-CG2 4.03Å; M161-V512 HydrophobicContact SD-CG1 4.46Å; M161-V512 HydrophobicContact SD-CG2 4.01Å; F437-V512 HydrophobicContact CE2-CB 4.37Å; F437-V512 HydrophobicContact CE2-CG1 3.79Å; F437-V512 HydrophobicContact CZ-CG1 3.98Å; I479-V512 HydrophobicContact CD1-CB 4.37Å; I479-V512 HydrophobicContact CD1-CG1 4.43Å; I479-V512 HydrophobicContact CD1-CG2 4.01Å; I479-V512 HydrophobicContact CG1-CG2 4.15Å; I479-V512 HydrophobicContact CG2-CG1 4.29Å; I479-V512 HydrophobicContact CG2-CG2 3.96Å; F498-V512 HydrophobicContact CE1-CG1 4.14Å; M508-V512 VanDerWaalsContact O-CG2 3.29Å; M508-V512 WeakPolarHBondContact O-CG2 2.89Å; M508-V512 PolarHBondContact O-N 2.86Å; L509-V512 CarbonylContact O-C 3.58Å; L509-V512 PolarHBondContact O-N 2.73Å; D510-V512 PolarHBondContact O-N 3.09Å; V512-Q515 PolarHBondContact O-N 2.74Å; V512-M516 HydrophobicContact CG1-CG 4.18Å; V512-M516 VanDerWaalsContact O-CB 3.25Å; V512-M516 WeakPolarHBondContact O-CB 3.44Å; V512-M516 WeakPolarHBondContact O-CG 3.32Å; V512-M516 PolarHBondContact O-N 2.96Å
513	L	98.6	Very high	98	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-41.6	179.5	-74.3	165.5	0	0	0	112.4	Y436 F437 K440 L441 M444 L509 D510 M516 N517	Y436-L513 HydrophobicContact CD1-CD1 4.22Å; Y436-L513 HydrophobicContact CE1-CD1 3.65Å; F437-L513 HydrophobicContact CD2-CD1 4.06Å; F437-L513 HydrophobicContact CD2-CD2 3.68Å; F437-L513 HydrophobicContact CD2-CG 3.73Å; F437-L513 HydrophobicContact CE2-CD2 3.69Å; F437-L513 HydrophobicContact CE2-CG 3.78Å; F437-L513 HydrophobicContact CG-CD2 4.42Å; F437-L513 HydrophobicContact CZ-CD2 4.45Å; K440-L513 HydrophobicContact CB-CD1 3.7Å; K440-L513 HydrophobicContact CB-CD2 3.78Å; K440-L513 HydrophobicContact CB-CG 4.34Å; K440-L513 HydrophobicContact CG-CD1 3.93Å; L441-L513 HydrophobicContact CD2-CD2 4.08Å; L441-L513 HydrophobicContact CG-CD2 3.98Å; M444-L513 HydrophobicContact CE-CB 4Å; M444-L513 WeakPolarHBondContact CE-O 3.44Å; M444-L513 HydrophobicContact SD-CD2 4.49Å; L509-L513 WeakPolarHBondContact O-CB 3.42Å; L509-L513 WeakPolarHBondContact O-CG 3.45Å; L509-L513 PolarHBondContact O-N 3.05Å; D510-L513 PolarHBondContact O-N 3.05Å; L513-M516 WeakPolarHBondContact O-CB 3.45Å; L513-M516 PolarHBondContact O-N 2.82Å; L513-N517 WeakPolarHBondContact O-CB 3.11Å; L513-N517 PolarHBondContact O-N 3.43Å
514	Q	98.4	Very high	98	Very high	112 Å²	112	49.8 Å²	49.8	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-50.9	172.6	-175	-159.4	-33.6	0	0	110.7	D510 M516 N517 E518	D510-Q514 WeakPolarHBondContact O-CB 3.42Å; D510-Q514 PolarHBondContact O-N 3.29Å; Q514-M516 VanDerWaalsContact C-N 3.32Å; Q514-M516 PolarHBondContact O-N 2.87Å; Q514-N517 WeakPolarHBondContact O-CB 3.26Å; Q514-N517 PolarHBondContact O-N 3.15Å; Q514-N517 VanDerWaalsContact O-N 3.08Å; Q514-E518 PolarHBondContact NE2-OE1 2.66Å; Q514-E518 PolarHBondContact O-N 2.93Å; Q514-E518 VanDerWaalsContact O-N 3.08Å
515	Q	98.3	Very high	97.9	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.14	25%	0.25	C	S	.	.	H	α-helix	trans	-66.4	-33.9	-179.2	-69.4	-55.8	-74.5	0	0	112.4	R477 I479 K511 V512 E518 V519	R477-Q515 HydrophobicContact CB-CG 4.47Å; I479-Q515 HydrophobicContact CD1-CB 3.64Å; I479-Q515 HydrophobicContact CD1-CG 4.15Å; K511-Q515 WeakPolarHBondContact O-CB 3.35Å; K511-Q515 VanDerWaalsContact O-CG 3.25Å; K511-Q515 WeakPolarHBondContact O-CG 3.4Å; K511-Q515 PolarHBondContact O-N 2.93Å; K511-Q515 VanDerWaalsContact O-N 3.12Å; V512-Q515 PolarHBondContact O-N 2.74Å; Q515-E518 PolarHBondContact NE2-OE1 2.88Å; Q515-E518 PolarHBondContact NE2-OE2 2.84Å; Q515-E518 PolarHBondContact OE1-OE2 2.91Å; Q515-V519 WeakPolarHBondContact O-CB 3.44Å; Q515-V519 VanDerWaalsContact O-CG2 3.32Å; Q515-V519 WeakPolarHBondContact O-CG2 3.18Å; Q515-V519 PolarHBondContact O-N 3.09Å
516	M	97.6	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-45.4	168.2	-82	-67.4	-73.5	0	0	111.7	L441 F446 V459 F470 M474 F498 V512 L513 Q514 E518 V519 G520	L441-M516 HydrophobicContact CD2-CB 4.46Å; L441-M516 HydrophobicContact CD2-CE 3.74Å; F446-M516 HydrophobicContact CE1-CE 4.21Å; F446-M516 HydrophobicContact CE2-CE 4.34Å; F446-M516 HydrophobicContact CZ-CE 4.04Å; F446-M516 WeakPolarHBondContact CZ-O 3.22Å; V459-M516 HydrophobicContact CB-CE 4.49Å; V459-M516 HydrophobicContact CG1-CE 4.14Å; V459-M516 HydrophobicContact CG2-CE 4.03Å; F470-M516 HydrophobicContact CE2-CE 4.08Å; F470-M516 HydrophobicContact CE2-SD 3.67Å; F470-M516 HydrophobicContact CZ-CE 3.94Å; F470-M516 HydrophobicContact CZ-SD 3.45Å; F470-M516 WeakPolarHBondContact CZ-SD 3.24Å; M474-M516 HydrophobicContact CE-CG 3.9Å; M474-M516 HydrophobicContact CE-SD 3.61Å; M474-M516 HydrophobicContact SD-SD 4.07Å; F498-M516 HydrophobicContact CE1-SD 4.24Å; F498-M516 HydrophobicContact CE2-CE 3.93Å; F498-M516 HydrophobicContact CE2-SD 4.13Å; F498-M516 HydrophobicContact CZ-CE 3.86Å; F498-M516 HydrophobicContact CZ-CG 4.33Å; F498-M516 HydrophobicContact CZ-SD 3.47Å; F498-M516 WeakPolarHBondContact CZ-SD 3.48Å; V512-M516 HydrophobicContact CG1-CG 4.18Å; V512-M516 VanDerWaalsContact O-CB 3.25Å; V512-M516 WeakPolarHBondContact O-CB 3.44Å; V512-M516 WeakPolarHBondContact O-CG 3.32Å; V512-M516 PolarHBondContact O-N 2.96Å; L513-M516 WeakPolarHBondContact O-CB 3.45Å; L513-M516 PolarHBondContact O-N 2.82Å; Q514-M516 VanDerWaalsContact C-N 3.32Å; Q514-M516 PolarHBondContact O-N 2.87Å; M516-E518 PolarHBondContact O-N 2.83Å; M516-V519 PolarHBondContact O-N 3.27Å; M516-G520 WeakPolarHBondContact O-CA 3.44Å; M516-G520 PolarHBondContact O-N 3.47Å
517	N	98	Very high	97.5	Very high	56 Å²	56	45.7 Å²	45.7	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-59.3	-46.8	179.2	-175.9	74	0	0	0	111.4	M444 L513 Q514 G520 D521 K526	M444-N517 HydrophobicContact CE-CB 3.99Å; M444-N517 HydrophobicContact SD-CB 3.89Å; L513-N517 WeakPolarHBondContact O-CB 3.11Å; L513-N517 PolarHBondContact O-N 3.43Å; Q514-N517 WeakPolarHBondContact O-CB 3.26Å; Q514-N517 PolarHBondContact O-N 3.15Å; Q514-N517 VanDerWaalsContact O-N 3.08Å; N517-G520 PolarHBondContact O-N 2.79Å; N517-D521 PolarHBondContact O-N 2.77Å; N517-D521 VanDerWaalsContact O-N 3.13Å; N517-K526 VanDerWaalsContact CG-NZ 3.3Å; N517-K526 VanDerWaalsContact O-CE 3.3Å; N517-K526 WeakPolarHBondContact O-CE 3.44Å; N517-K526 PolarHBondContact O-NZ 2.99Å; N517-K526 PolarHBondContact OD1-NZ 2.97Å
518	E	98.3	Very high	97.2	Very high	68 Å²	68	40.6 Å²	40.6	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-51.7	176.7	-68.5	168	-153.8	0	0	112.7	R477 Q514 Q515 M516 G520 D521 L522	R477-E518 IonicContact NE-OE2 3.12Å; Q514-E518 PolarHBondContact NE2-OE1 2.66Å; Q514-E518 PolarHBondContact O-N 2.93Å; Q514-E518 VanDerWaalsContact O-N 3.08Å; Q515-E518 PolarHBondContact NE2-OE1 2.88Å; Q515-E518 PolarHBondContact NE2-OE2 2.84Å; Q515-E518 PolarHBondContact OE1-OE2 2.91Å; M516-E518 PolarHBondContact O-N 2.83Å; E518-G520 PolarHBondContact O-N 3.1Å; E518-D521 PolarHBondContact O-N 3.36Å; E518-L522 WeakPolarHBondContact O-CB 3.23Å; E518-L522 PolarHBondContact O-N 2.92Å
519	V	98.1	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-31.3	178.2	173.8	0	0	0	0	111	F470 E473 M474 Q515 M516 L523	F470-V519 HydrophobicContact CD2-CG1 3.69Å; F470-V519 HydrophobicContact CE2-CG1 4.14Å; E473-V519 HydrophobicContact CB-CG1 4.16Å; E473-V519 HydrophobicContact CB-CG2 4.03Å; M474-V519 HydrophobicContact SD-CB 4.36Å; M474-V519 HydrophobicContact SD-CG1 4.49Å; M474-V519 HydrophobicContact SD-CG2 4.08Å; Q515-V519 WeakPolarHBondContact O-CB 3.44Å; Q515-V519 VanDerWaalsContact O-CG2 3.32Å; Q515-V519 WeakPolarHBondContact O-CG2 3.18Å; Q515-V519 PolarHBondContact O-N 3.09Å; M516-V519 PolarHBondContact O-N 3.27Å; V519-L523 HydrophobicContact CG1-CD1 3.74Å; V519-L523 HydrophobicContact CG1-CG 4.25Å; V519-L523 WeakPolarHBondContact O-CB 3.39Å; V519-L523 PolarHBondContact O-N 3.29Å
520	G	97.4	Very high	95.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-31.8	176.2	0	0	0	0	0	114.3	M516 N517 E518 C524 L525	M516-G520 WeakPolarHBondContact O-CA 3.44Å; M516-G520 PolarHBondContact O-N 3.47Å; N517-G520 PolarHBondContact O-N 2.79Å; E518-G520 PolarHBondContact O-N 3.1Å; G520-C524 CarbonylContact O-C 3.55Å; G520-C524 VanDerWaalsContact O-CA 3.31Å; G520-C524 WeakPolarHBondContact O-CA 3.41Å; G520-C524 PolarHBondContact O-N 3.24Å; G520-L525 PolarHBondContact O-N 2.92Å
521	D	97.6	Very high	94.2	Very high	88 Å²	88	59.6 Å²	59.6	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-77.5	-50.3	170.7	-66.8	-41.7	0	0	0	110.5	N517 E518 L523 C524 K526	N517-D521 PolarHBondContact O-N 2.77Å; N517-D521 VanDerWaalsContact O-N 3.13Å; E518-D521 PolarHBondContact O-N 3.36Å; D521-L523 VanDerWaalsContact C-N 3.27Å; D521-L523 PolarHBondContact O-N 3.1Å; D521-C524 PolarHBondContact O-N 3.44Å; D521-C524 PolarHBondContact O-SG 3.09Å; D521-K526 WeakPolarHBondContact OD1-CD 3.46Å; D521-K526 WeakPolarHBondContact OD1-CE 3.27Å; D521-K526 IonicContact OD1-NZ 3.51Å; D521-K526 PolarHBondContact OD1-NZ 3.35Å; D521-K526 IonicContact OD2-NZ 3.69Å; D521-K526 PolarHBondContact OD2-NZ 3.21Å
522	L	97.8	Very high	92.3	Very high	107 Å²	107	62.9 Å²	62.9	56%	0.56	29%	0.289	S	S	*	.	H	α-helix	trans	-53.7	-39.9	-179.5	176.7	62.8	0	0	0	113.4	E473 E518	E473-L522 HydrophobicContact CG-CD2 4.32Å; E518-L522 WeakPolarHBondContact O-CB 3.23Å; E518-L522 PolarHBondContact O-N 2.92Å
523	L	97.1	Very high	89.8	Confident	27 Å²	27	65.9 Å²	65.9	14%	0.141	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2.9	178.8	-57.8	-178.9	0	0	0	112.9	K466 A469 F470 V519 D521 L525	K466-L523 WeakPolarHBondContact CD-O 3.36Å; K466-L523 WeakPolarHBondContact CE-O 3.45Å; K466-L523 PolarHBondContact NZ-O 3.35Å; A469-L523 HydrophobicContact CB-CD1 3.95Å; A469-L523 HydrophobicContact CB-CD2 3.71Å; F470-L523 HydrophobicContact CB-CD1 3.83Å; F470-L523 HydrophobicContact CD2-CD1 4.41Å; V519-L523 HydrophobicContact CG1-CD1 3.74Å; V519-L523 HydrophobicContact CG1-CG 4.25Å; V519-L523 WeakPolarHBondContact O-CB 3.39Å; V519-L523 PolarHBondContact O-N 3.29Å; D521-L523 VanDerWaalsContact C-N 3.27Å; D521-L523 PolarHBondContact O-N 3.1Å; L523-L525 HydrophobicContact CB-CD1 3.75Å; L523-L525 HydrophobicContact CB-CG 3.83Å; L523-L525 HydrophobicContact CD1-CD1 4.17Å
524	C	96.2	Very high	86.8	Confident	84 Å²	84	70 Å²	70	57%	0.568	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	68.8	-176.5	-47.9	0	0	0	0	112.2	K466 G520 D521 F527	K466-C524 PolarHBondContact NZ-O 3.02Å; G520-C524 CarbonylContact O-C 3.55Å; G520-C524 VanDerWaalsContact O-CA 3.31Å; G520-C524 WeakPolarHBondContact O-CA 3.41Å; G520-C524 PolarHBondContact O-N 3.24Å; D521-C524 PolarHBondContact O-N 3.44Å; D521-C524 PolarHBondContact O-SG 3.09Å; C524-F527 VanDerWaalsContact O-CE1 3.24Å; C524-F527 WeakPolarHBondContact O-CE1 3.39Å; C524-F527 VanDerWaalsContact O-CZ 3.22Å; C524-F527 WeakPolarHBondContact O-CZ 3.48Å
525	L	96.1	Very high	84.2	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.359	C	S	.	.			trans	-110.9	-2.2	-173.6	-66.4	169.3	0	0	0	114	F446 L461 K466 F470 G520 L523 F527	F446-L525 HydrophobicContact CD1-CB 4.3Å; F446-L525 HydrophobicContact CE1-CB 3.85Å; L461-L525 HydrophobicContact CB-CD2 4.44Å; L461-L525 HydrophobicContact CD2-CD1 3.74Å; L461-L525 HydrophobicContact CD2-CD2 3.87Å; L461-L525 HydrophobicContact CD2-CG 4.38Å; K466-L525 HydrophobicContact CB-CD2 4.26Å; K466-L525 HydrophobicContact CD-CD2 3.84Å; F470-L525 HydrophobicContact CD2-CD1 3.62Å; F470-L525 HydrophobicContact CE2-CD1 4.17Å; G520-L525 PolarHBondContact O-N 2.92Å; L523-L525 HydrophobicContact CB-CD1 3.75Å; L523-L525 HydrophobicContact CB-CG 3.83Å; L523-L525 HydrophobicContact CD1-CD1 4.17Å; L525-F527 VanDerWaalsContact C-N 3.27Å; L525-F527 HydrophobicContact CB-CE2 4.28Å; L525-F527 HydrophobicContact CD2-CE2 3.81Å; L525-F527 HydrophobicContact CD2-CZ 4.1Å; L525-F527 WeakPolarHBondContact O-CD2 3.44Å; L525-F527 PolarHBondContact O-N 3.5Å
526	K	94.9	Very high	81.5	Confident	42 Å²	42	76.4 Å²	76.4	18%	0.183	38%	0.38	C	S	.	.			trans	-83.3	70.8	-177.7	-64	170.5	-174.7	176.4	0	110.1	M444 G445 F446 N517 D521	M444-K526 WeakPolarHBondContact O-CD 3.23Å; M444-K526 WeakPolarHBondContact O-CG 3.32Å; G445-K526 CarbonylContact O-C 3.53Å; G445-K526 VanDerWaalsContact O-CA 3.24Å; G445-K526 WeakPolarHBondContact O-CA 3.27Å; F446-K526 HydrophobicContact CE1-CG 4.43Å; F446-K526 HydrophobicContact CE2-CG 4.5Å; F446-K526 HydrophobicContact CZ-CG 4.34Å; N517-K526 VanDerWaalsContact CG-NZ 3.3Å; N517-K526 VanDerWaalsContact O-CE 3.3Å; N517-K526 WeakPolarHBondContact O-CE 3.44Å; N517-K526 PolarHBondContact O-NZ 2.99Å; N517-K526 PolarHBondContact OD1-NZ 2.97Å; D521-K526 WeakPolarHBondContact OD1-CD 3.46Å; D521-K526 WeakPolarHBondContact OD1-CE 3.27Å; D521-K526 IonicContact OD1-NZ 3.51Å; D521-K526 PolarHBondContact OD1-NZ 3.35Å; D521-K526 IonicContact OD2-NZ 3.69Å; D521-K526 PolarHBondContact OD2-NZ 3.21Å
527	F	92.9	Very high	78.5	Confident	10 Å²	10	84.6 Å²	84.6	4%	0.044	42%	0.424	C	S	.	.			trans	-86.7	-10.4	-169.5	-58.2	-64	0	0	0	115.8	V58 G445 I447 Y462 C524 L525	V58-F527 HydrophobicContact CG1-CD1 4.26Å; V58-F527 HydrophobicContact CG1-CE1 4.01Å; V58-F527 HydrophobicContact CG1-CE2 4.49Å; V58-F527 HydrophobicContact CG1-CZ 4.12Å; V58-F527 HydrophobicContact CG2-CD1 3.53Å; V58-F527 HydrophobicContact CG2-CE1 3.73Å; V58-F527 HydrophobicContact CG2-CG 4.29Å; G445-F527 PolarHBondContact O-N 3.29Å; G445-F527 VanDerWaalsContact O-N 3.13Å; I447-F527 HydrophobicContact CD1-CB 3.74Å; I447-F527 HydrophobicContact CG1-CB 4.11Å; Y462-F527 AromaticContact CD2-CD2 3.66Å; Y462-F527 HydrophobicContact CD2-CD2 3.66Å; Y462-F527 AromaticContact CD2-CE2 3.55Å; Y462-F527 HydrophobicContact CD2-CE2 3.55Å; Y462-F527 HydrophobicContact CD2-CZ 4.31Å; Y462-F527 AromaticContact CE2-CD2 3.61Å; Y462-F527 HydrophobicContact CE2-CD2 3.61Å; Y462-F527 HydrophobicContact CE2-CE2 4.01Å; Y462-F527 HydrophobicContact CE2-CG 4.32Å; C524-F527 VanDerWaalsContact O-CE1 3.24Å; C524-F527 WeakPolarHBondContact O-CE1 3.39Å; C524-F527 VanDerWaalsContact O-CZ 3.22Å; C524-F527 WeakPolarHBondContact O-CZ 3.48Å; L525-F527 VanDerWaalsContact C-N 3.27Å; L525-F527 HydrophobicContact CB-CE2 4.28Å; L525-F527 HydrophobicContact CD2-CE2 3.81Å; L525-F527 HydrophobicContact CD2-CZ 4.1Å; L525-F527 WeakPolarHBondContact O-CD2 3.44Å; L525-F527 PolarHBondContact O-N 3.5Å
528	S	92.3	Very high	75.5	Confident	22 Å²	22	86.5 Å²	86.5	15%	0.154	45%	0.448	C	S	.	.			trans	-67.4	141	-174.3	-178.8	0	0	0	0	111.6	E52 G445 R530	E52-S528 VanDerWaalsContact CD-OG 3.29Å; E52-S528 WeakPolarHBondContact OE1-CA 3.33Å; E52-S528 PolarHBondContact OE1-OG 2.92Å; E52-S528 PolarHBondContact OE2-OG 3.03Å; G445-S528 WeakPolarHBondContact O-CB 3.42Å; G445-S528 PolarHBondContact O-N 2.98Å; S528-R530 WeakPolarHBondContact OG-CG 3.39Å; S528-R530 PolarHBondContact OG-N 3.42Å
529	R	87.1	Confident	72.3	Confident	163 Å²	163	89.6 Å²	89.6	62%	0.615	48%	0.476	S	S	*	.			trans	-98.6	0.9	177.1	-66.1	174.9	-74.1	166.6	-6.4	112.5	E52 Q53 P55	E52-R529 PolarHBondContact OE1-N 3.49Å; Q53-R529 PolarHBondContact O-NH2 3.46Å; P55-R529 HydrophobicContact CG-CG 4.24Å
530	R	82.5	Confident	69.2	Low	127 Å²	127	99.3 Å²	99.3	48%	0.479	52%	0.518	S	S	.	.	S	Bend	trans	-64.7	140.9	174.1	-63.1	174.6	-168.3	-131.4	-4.7	108.9	E52 S528 R532	E52-R530 WeakPolarHBondContact OE2-CD 3.31Å; E52-R530 WeakPolarHBondContact OE2-CG 3.39Å; E52-R530 IonicContact OE2-CZ 2.82Å; E52-R530 IonicContact OE2-NE 3.64Å; E52-R530 PolarHBondContact OE2-NE 2.84Å; E52-R530 IonicContact OE2-NH2 3.5Å; S528-R530 WeakPolarHBondContact OG-CG 3.39Å; S528-R530 PolarHBondContact OG-N 3.42Å; R530-R532 PolarHBondContact O-N 3.47Å
531	K	62.3	Low	65.9	Low	205 Å²	205	102.8 Å²	102.8	89%	0.891	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-59.9	129	169.2	-69.8	-174.8	176.5	-176.2	0	108
532	R	57.7	Low	62.7	Low	173 Å²	173	106.7 Å²	106.7	65%	0.653	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-53.7	139.8	168.9	-68.3	-174.9	172.8	158.1	-1	108.9	R530 A534	R530-R532 PolarHBondContact O-N 3.47Å; R532-A534 PolarHBondContact O-N 2.89Å
533	S	47	Very low	59.4	Low	63 Å²	63	109.5 Å²	109.5	44%	0.441	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-64	133.8	169.6	73.5	0	0	0	0	108.4	D443 F535	D443-S533 WeakPolarHBondContact OD1-CB 3.46Å; D443-S533 PolarHBondContact OD1-OG 2.94Å; S533-F535 PolarHBondContact O-N 2.81Å
534	A	34.8	Very low	56.4	Low	92 Å²	92	113.9 Å²	113.9	76%	0.76	61%	0.613	S	S	*	*	S	Bend	trans	-87.7	30.5	-171.3	0	0	0	0	0	113	R532	R532-A534 PolarHBondContact O-N 2.89Å
535	F	44	Very low	53.3	Low	185 Å²	185	119.3 Å²	119.3	81%	0.811	63%	0.63	S	S	*	*			trans	-147.1	100.6	-177.8	-78.4	-72.4	0	0	0	113.2	S533	S533-F535 PolarHBondContact O-N 2.81Å
536	P	42.2	Very low	50.2	Low	91 Å²	91	124 Å²	124	59%	0.591	67%	0.668	S	S	*	*			trans	-139.8	99.9	144.7	33.5	-16.4	0	0	0	111.7
537	D	34.7	Very low	47.2	Very low	173 Å²	173	130.1 Å²	130.1	93%	0.925	70%	0.703	S	S	*	*			trans	176.6	73.8	148.3	-92.5	-22.2	0	0	0	110.6
538	A	33.8	Very low	44.4	Very low	95 Å²	95	138.9 Å²	138.9	79%	0.785	77%	0.765	S	S	*	*			trans	-150.2	31.5	178.6	0	0	0	0	0	113.3
539	C	32	Very low	42.1	Very low	134 Å²	134	144.7 Å²	144.7	91%	0.905	80%	0.796	S	S	*	*			trans	-139	47.8	176.1	-76.9	0	0	0	0	112.2
540	K	32.2	Very low	39.7	Very low	203 Å²	203	143.7 Å²	143.7	88%	0.883	81%	0.806	S	S	*	*			trans	-110.6	92.8	152.2	-75	-172.7	177.8	-179.3	0	107.1	E542	K540-E542 PolarHBondContact O-N 2.95Å
541	G	29.8	Very low	37.3	Very low	74 Å²	74	144.7 Å²	144.7	76%	0.763	82%	0.824	S	S	*	*			trans	-76	107.6	169.9	0	0	0	0	0	108.7	N543	G541-N543 PolarHBondContact O-N 2.78Å
542	E	30	Very low	35.8	Very low	171 Å²	171	141.1 Å²	141.1	80%	0.799	82%	0.82	S	S	*	*			trans	-73.7	102.9	169.7	-66.3	175.7	138.1	0	0	108.5	K540 T544	K540-E542 PolarHBondContact O-N 2.95Å; E542-T544 VanDerWaalsContact C-N 3.28Å; E542-T544 PolarHBondContact O-N 2.62Å
543	N	28.9	Very low	34.5	Very low	166 Å²	166	139.1 Å²	139.1	89%	0.888	83%	0.83	S	S	*	*			trans	-88.7	74	162.8	-80.2	11.4	0	0	0	108.4	G541	G541-N543 PolarHBondContact O-N 2.78Å
544	T	32.3	Very low	33.6	Very low	119 Å²	119	144.2 Å²	144.2	73%	0.73	86%	0.856	S	S	*	*			trans	-69	145.6	161.8	45.5	0	0	0	0	110.1	E542	E542-T544 VanDerWaalsContact C-N 3.28Å; E542-T544 PolarHBondContact O-N 2.62Å
545	E	32.5	Very low	33.6	Very low	198 Å²	198	147.9 Å²	147.9	93%	0.925	86%	0.863	S	S	*	*			trans	-63.6	147.1	173.8	-62.5	158.9	131.3	0	0	111.4
546	A	30	Very low	32.7	Very low	98 Å²	98	145.1 Å²	145.1	81%	0.81	87%	0.867	S	S	*	*			trans	-154.2	125.6	164.4	0	0	0	0	0	109.3
547	D	32.1	Very low	32	Very low	170 Å²	170	149.6 Å²	149.6	91%	0.909	89%	0.89	S	S	*	*			trans	-76.6	135.8	178.8	-61.4	-72.5	0	0	0	112.7
548	S	35.3	Very low	31.7	Very low	194 Å²	194	147.5 Å²	147.5	100%	1.357	89%	0.887	S	S	*	*			trans	-172	0	139.1	67.4	0	0	0	0	112

Retrieved 548 of 548 residues in 387.8 ms (Link to these results)

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