A0A087YCI5_POEFO Loading...

Meprin A subunit

AlphaFold DB , UniProt , Accession A0A087YCI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 728 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	35.5	Very low	41.6	Very low	242 Å²	242	146.7 Å²	146.7	100%	1.192	84%	0.835	S	S	*	*				0	94.8	0	-67.8	175.6	-177.7	0	0	105.8
2	A	36.8	Very low	41.4	Very low	111 Å²	111	147 Å²	147	92%	0.917	83%	0.831	S	S	*	*				63.6	124.6	105.5	0	0	0	0	0	112.2
3	G	33.3	Very low	41.2	Very low	73 Å²	73	146.2 Å²	146.2	75%	0.753	82%	0.815	S	S	*	*			cis	-164.5	157.8	6	0	0	0	0	0	110
4	R	39.6	Very low	41.4	Very low	245 Å²	245	142.9 Å²	142.9	93%	0.925	79%	0.794	S	S	*	*				47.4	120.1	114.8	-90.9	-174.7	-178.8	179.1	0.2	115.3
5	E	42.5	Very low	41.1	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	79%	0.791	S	S	*	*				-171.5	178.5	73.4	-117.3	-174.3	-156.6	0	0	113.4
6	P	48.4	Very low	40.9	Very low	111 Å²	111	141.5 Å²	141.5	72%	0.721	78%	0.781	S	S	*	*				-107.4	152.5	-121.1	40.2	-29.9	0	0	0	117.4
7	I	44.1	Very low	40.6	Very low	174 Å²	174	141.4 Å²	141.4	89%	0.892	78%	0.778	S	S	*	*			trans	-88.6	106.6	165.5	-62.4	166.2	0	0	0	107.3
8	G	46	Very low	40.3	Very low	67 Å²	67	140.8 Å²	140.8	69%	0.691	77%	0.773	S	S	*	*			trans	-167.8	43.1	-175	0	0	0	0	0	115.7
9	V	45.6	Very low	40.2	Very low	123 Å²	123	139 Å²	139	75%	0.745	77%	0.77	S	S	*	*	S	Bend	trans	-142.1	-12.3	166.7	-174	0	0	0	0	113.6	L11	V9-L11 PolarHBondContact O-N 2.55Å
10	L	43.2	Very low	40.2	Very low	139 Å²	139	138.2 Å²	138.2	73%	0.728	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-3.2	-169.1	-144.2	78.9	0	0	0	116.2
11	L	42.4	Very low	40.2	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-12.7	-174.8	-96.5	146	0	0	0	114.6	V9	V9-L11 PolarHBondContact O-N 2.55Å
12	L	39.2	Very low	40.5	Very low	150 Å²	150	132 Å²	132	79%	0.785	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-14.5	178.1	-129.2	87.3	0	0	0	114
13	H	39.4	Very low	40.6	Very low	136 Å²	136	133.6 Å²	133.6	63%	0.63	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-20.6	178.3	-77.7	10.4	0	0	0	113.6	L17	H13-L17 WeakPolarHBondContact O-CD1 3.25Å; H13-L17 PolarHBondContact O-N 2.67Å
14	I	43.3	Very low	40.8	Very low	100 Å²	100	135.7 Å²	135.7	51%	0.513	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-29.2	179.5	-63.1	176.5	0	0	0	111.4
15	F	37.3	Very low	40.6	Very low	171 Å²	171	130.8 Å²	130.8	75%	0.75	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-21.1	176.5	-114.9	-88.4	0	0	0	114.2
16	C	37.1	Very low	40.6	Very low	93 Å²	93	127.7 Å²	127.7	63%	0.628	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-23.1	177.5	-136.4	0	0	0	0	112.7
17	L	36	Very low	40.6	Very low	140 Å²	140	127.8 Å²	127.8	73%	0.733	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-10.7	175.7	-97.8	127.5	0	0	0	114.1	H13	H13-L17 WeakPolarHBondContact O-CD1 3.25Å; H13-L17 PolarHBondContact O-N 2.67Å
18	L	35.9	Very low	40.9	Very low	130 Å²	130	123.4 Å²	123.4	68%	0.681	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-2.1	177.2	-89.6	154.1	0	0	0	114.3
19	C	38.1	Very low	42	Very low	107 Å²	107	127.5 Å²	127.5	72%	0.723	71%	0.709	S	S	*	*	S	Bend	trans	-110.5	4.2	179.7	-91.2	0	0	0	0	115.3
20	V	40.9	Very low	43.6	Very low	123 Å²	123	122.6 Å²	122.6	75%	0.745	68%	0.679	S	S	*	*	S	Bend	trans	-126.7	33.1	178	-162.1	0	0	0	0	112
21	T	40.5	Very low	45.6	Very low	102 Å²	102	120.6 Å²	120.6	63%	0.626	67%	0.674	S	S	*	*			trans	-114.1	66.9	156.3	47.8	0	0	0	0	107.8	L23	T21-L23 PolarHBondContact O-N 2.79Å
22	I	40.8	Very low	47.9	Very low	147 Å²	147	116.1 Å²	116.1	75%	0.754	65%	0.651	S	S	*	*			trans	-60.6	95	147.3	-62.9	174.7	0	0	0	103.6	C24	I22-C24 PolarHBondContact O-N 3.16Å
23	L	38.9	Very low	50.4	Low	145 Å²	145	112.6 Å²	112.6	76%	0.759	63%	0.629	S	S	*	*			trans	-50.8	96.9	157	-84	134.6	0	0	0	105.2	T21 L25	T21-L23 PolarHBondContact O-N 2.79Å; L23-L25 PolarHBondContact O-N 2.89Å
24	C	37.6	Very low	52.9	Low	117 Å²	117	107.6 Å²	107.6	79%	0.791	61%	0.607	S	S	*	*			trans	-60.7	89.4	153.6	-80	0	0	0	0	104.5	I22	I22-C24 PolarHBondContact O-N 3.16Å
25	L	35.7	Very low	55.1	Low	143 Å²	143	104.5 Å²	104.5	75%	0.749	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-48.5	127.9	158.7	-78.2	156.2	0	0	0	105.3	L23 T27	L23-L25 PolarHBondContact O-N 2.89Å; L25-T27 PolarHBondContact O-N 2.75Å
26	P	42.1	Very low	57.5	Low	114 Å²	114	97 Å²	97	74%	0.74	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-51.8	125.3	171.8	21.6	-30.2	0	0	0	106.6	A28	P26-A28 PolarHBondContact O-N 3.08Å
27	T	47.5	Very low	59.7	Low	112 Å²	112	95.4 Å²	95.4	69%	0.687	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-48.8	119.8	171.5	30	0	0	0	0	106.8	L25 K29	L25-T27 PolarHBondContact O-N 2.75Å; T27-K29 PolarHBondContact O-N 2.98Å
28	A	52.3	Low	61.8	Low	82 Å²	82	90.6 Å²	90.6	68%	0.678	55%	0.545	S	S	*	.			trans	-57.9	111.7	-177.8	0	0	0	0	0	107.6	P26 I30	P26-A28 PolarHBondContact O-N 3.08Å; A28-I30 PolarHBondContact O-N 3.47Å
29	K	67.6	Low	64	Low	153 Å²	153	89.8 Å²	89.8	67%	0.665	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-73	127	-178	-64.4	-175.7	178.6	-173.9	0	108.3	T27	T27-K29 PolarHBondContact O-N 2.98Å
30	I	80.5	Confident	66.3	Low	20 Å²	20	88.3 Å²	88.3	10%	0.103	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-74.2	123.5	173.4	-59.2	173.5	0	0	0	107.3	A28 A539 L544 F546 V553 P569	A28-I30 PolarHBondContact O-N 3.47Å; I30-A539 HydrophobicContact CB-CB 4.36Å; I30-A539 HydrophobicContact CD1-CB 3.75Å; I30-A539 HydrophobicContact CG1-CB 3.88Å; I30-A539 HydrophobicContact CG2-CB 3.57Å; I30-L544 HydrophobicContact CD1-CB 3.98Å; I30-L544 HydrophobicContact CD1-CD1 4.29Å; I30-F546 HydrophobicContact CG2-CD2 3.76Å; I30-F546 HydrophobicContact CG2-CE2 3.9Å; I30-V553 HydrophobicContact CD1-CB 3.82Å; I30-V553 HydrophobicContact CD1-CG1 4.08Å; I30-P569 HydrophobicContact CB-CB 4.02Å; I30-P569 HydrophobicContact CB-CG 4.21Å; I30-P569 HydrophobicContact CG2-CB 3.76Å; I30-P569 HydrophobicContact CG2-CG 3.97Å
31	P	85.1	Confident	68.5	Low	98 Å²	98	83.2 Å²	83.2	64%	0.636	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-70.6	159.8	177.1	30.3	-34.7	0	0	0	111.2
32	D	89.4	Confident	71	Confident	56 Å²	56	79.1 Å²	79.1	30%	0.299	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-62	143.7	172	-59.1	-27.6	0	0	0	110.7	Y489 H491 G570	D32-Y489 HydrophobicContact CB-CD1 4.28Å; D32-Y489 HydrophobicContact CB-CE1 4.33Å; D32-H491 IonicContact OD1-CE1 3.45Å; D32-G570 CarbonylContact C-O 3.52Å; D32-G570 WeakPolarHBondContact CA-O 3.32Å; D32-G570 WeakPolarHBondContact CB-O 3.33Å; D32-G570 WeakPolarHBondContact OD1-CA 3.38Å; D32-G570 PolarHBondContact OD1-N 3.29Å
33	F	91.9	Very high	73.6	Confident	75 Å²	75	72.1 Å²	72.1	33%	0.329	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122	178.2	-169.9	-88.8	0	0	0	110.6	V35 M537 F546 G570 F571 G572	F33-V35 HydrophobicContact CD1-CG1 4.25Å; F33-V35 HydrophobicContact CE1-CG1 4.35Å; F33-M537 HydrophobicContact CD1-CE 4.45Å; F33-M537 HydrophobicContact CD2-CE 3.92Å; F33-M537 HydrophobicContact CE2-CE 4.08Å; F33-M537 HydrophobicContact CG-CE 4.11Å; F33-M537 HydrophobicContact CZ-CE 4.41Å; F33-F546 HydrophobicContact CB-CE2 3.8Å; F33-F546 HydrophobicContact CB-CZ 3.88Å; F33-G570 PolarHBondContact N-O 2.88Å; F33-F571 HydrophobicContact CB-CD2 3.72Å; F33-F571 HydrophobicContact CB-CE2 4.15Å; F33-F571 HydrophobicContact CB-CG 4.48Å; F33-F571 AromaticContact CD1-CD2 3.64Å; F33-F571 HydrophobicContact CD1-CD2 3.64Å; F33-F571 AromaticContact CD1-CE2 3.21Å; F33-F571 HydrophobicContact CD1-CE2 3.21Å; F33-F571 HydrophobicContact CD1-CG 4.43Å; F33-F571 AromaticContact CD1-CZ 3.75Å; F33-F571 HydrophobicContact CD1-CZ 3.75Å; F33-F571 AromaticContact CE1-CE2 3.75Å; F33-F571 HydrophobicContact CE1-CE2 3.75Å; F33-F571 AromaticContact CE1-CZ 3.97Å; F33-F571 HydrophobicContact CE1-CZ 3.97Å; F33-F571 AromaticContact CG-CD2 3.94Å; F33-F571 HydrophobicContact CG-CD2 3.94Å; F33-F571 AromaticContact CG-CE2 3.82Å; F33-F571 HydrophobicContact CG-CE2 3.82Å; F33-G572 PolarHBondContact O-N 2.04Å; F33-G572 VanDerWaalsContact O-N 3.09Å
34	D	92.3	Very high	76.1	Confident	31 Å²	31	65.2 Å²	65.2	17%	0.166	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.9	173.3	-178.9	15.7	0	0	0	109.6	D36 G37 G38 G572 T573 A574	D34-D36 PolarHBondContact O-N 3.44Å; D34-D36 PolarHBondContact OD1-N 2.86Å; D34-G37 PolarHBondContact O-N 3Å; D34-G38 WeakPolarHBondContact OD2-CA 3.47Å; D34-G38 PolarHBondContact OD2-N 3.15Å; D34-G572 CarbonylContact C-O 3.49Å; D34-G572 WeakPolarHBondContact CA-O 3.39Å; D34-T573 VanDerWaalsContact OD1-CA 3.31Å; D34-T573 WeakPolarHBondContact OD1-CA 3.34Å; D34-A574 PolarHBondContact OD1-N 2.94Å; D34-A574 VanDerWaalsContact OD1-N 3.12Å; D34-A574 WeakPolarHBondContact OD2-CB 3.16Å
35	V	90.3	Very high	78.7	Confident	36 Å²	36	61.9 Å²	61.9	22%	0.218	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.5	-178.4	-57.6	0	0	0	0	112.7	F33 G37 F571 G572	F33-V35 HydrophobicContact CD1-CG1 4.25Å; F33-V35 HydrophobicContact CE1-CG1 4.35Å; V35-G37 VanDerWaalsContact C-N 3.32Å; V35-F571 HydrophobicContact CG1-CD1 3.65Å; V35-F571 HydrophobicContact CG1-CE1 3.09Å; V35-F571 HydrophobicContact CG1-CE2 4.45Å; V35-F571 HydrophobicContact CG1-CZ 3.56Å; V35-G572 WeakPolarHBondContact CG1-O 3.36Å; V35-G572 WeakPolarHBondContact CG2-O 3.48Å; V35-G572 PolarHBondContact N-O 2.87Å
36	D	86.5	Confident	81.5	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.064	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4.8	178.8	-52.1	-51	0	0	0	112.1	D34 G38 R39 R152 R529 T573	D34-D36 PolarHBondContact O-N 3.44Å; D34-D36 PolarHBondContact OD1-N 2.86Å; D36-G38 VanDerWaalsContact C-N 3.3Å; D36-G38 PolarHBondContact O-N 2.84Å; D36-R39 WeakPolarHBondContact CB-O 3.44Å; D36-R39 PolarHBondContact O-N 2.9Å; D36-R152 IonicContact OD1-CZ 3.66Å; D36-R152 IonicContact OD1-NE 3.62Å; D36-R152 IonicContact OD1-NH2 3.7Å; D36-R152 PolarHBondContact OD1-NH2 3.4Å; D36-R152 IonicContact OD2-NH2 3.12Å; D36-R529 VanDerWaalsContact CG-NH2 3.28Å; D36-R529 IonicContact OD1-NH2 2.82Å; D36-R529 PolarHBondContact OD1-NH2 3.15Å; D36-R529 IonicContact OD2-CZ 3.01Å; D36-R529 IonicContact OD2-NH1 2.74Å; D36-R529 PolarHBondContact OD2-NH1 3.04Å; D36-R529 IonicContact OD2-NH2 3.01Å; D36-R529 PolarHBondContact OD2-NH2 3.4Å; D36-T573 WeakPolarHBondContact OD2-CB 3.45Å; D36-T573 PolarHBondContact OD2-OG1 3.16Å
37	G	83.4	Confident	84.1	Confident	60 Å²	60	50.2 Å²	50.2	62%	0.619	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	33.4	169.9	0	0	0	0	0	114.6	D34 V35	D34-G37 PolarHBondContact O-N 3Å; V35-G37 VanDerWaalsContact C-N 3.32Å
38	G	79.9	Confident	86.3	Confident	40 Å²	40	46.8 Å²	46.8	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	16.6	-177.3	0	0	0	0	0	114.2	D34 D36 Y482	D34-G38 WeakPolarHBondContact OD2-CA 3.47Å; D34-G38 PolarHBondContact OD2-N 3.15Å; D36-G38 VanDerWaalsContact C-N 3.3Å; D36-G38 PolarHBondContact O-N 2.84Å; G38-Y482 WeakPolarHBondContact CA-OH 3.47Å; G38-Y482 PolarHBondContact O-OH 2.8Å; G38-Y482 VanDerWaalsContact O-OH 3.07Å
39	R	83.1	Confident	88.2	Confident	112 Å²	112	48 Å²	48	42%	0.423	26%	0.263	S	S	.	.			trans	-137.8	149.3	-176.3	-52.1	176.2	67	-160.3	-4.7	113	D36 L41 E49 Y482	D36-R39 WeakPolarHBondContact CB-O 3.44Å; D36-R39 PolarHBondContact O-N 2.9Å; R39-L41 HydrophobicContact CB-CD1 4.36Å; R39-L41 HydrophobicContact CB-CD2 4.06Å; R39-L41 HydrophobicContact CB-CG 3.87Å; R39-L41 VanDerWaalsContact CZ-CD2 3.44Å; R39-E49 IonicContact CZ-OE1 2.64Å; R39-E49 IonicContact CZ-OE2 3.86Å; R39-E49 IonicContact NH1-OE1 2.68Å; R39-E49 PolarHBondContact NH1-OE1 3.02Å; R39-E49 IonicContact NH1-OE2 2.75Å; R39-E49 PolarHBondContact NH1-OE2 2.87Å; R39-E49 IonicContact NH2-OE1 3.92Å; R39-E49 PolarHBondContact NH2-OE1 2.91Å; R39-Y482 PolarHBondContact N-OH 2.94Å
40	D	85.6	Confident	89.4	Confident	77 Å²	77	42.7 Å²	42.7	41%	0.412	25%	0.247	S	C	.	.			trans	-104.6	80.7	169	-173.8	16.5	0	0	0	108.8	A575	D40-A575 HydrophobicContact CB-CB 3.74Å
41	L	88.1	Confident	89.9	Confident	16 Å²	16	44.6 Å²	44.6	8%	0.084	27%	0.272	C	S	.	.			trans	-87.5	130.7	-178.6	-57	176.6	0	0	0	111	R39 D45 I46 R152	R39-L41 HydrophobicContact CB-CD1 4.36Å; R39-L41 HydrophobicContact CB-CD2 4.06Å; R39-L41 HydrophobicContact CB-CG 3.87Å; R39-L41 VanDerWaalsContact CZ-CD2 3.44Å; L41-D45 HydrophobicContact CB-CB 4.1Å; L41-D45 HydrophobicContact CD2-CB 3.81Å; L41-I46 HydrophobicContact CB-CG1 3.96Å; L41-R152 PolarHBondContact O-NH1 3.17Å
42	D	92.2	Very high	90.3	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.08	25%	0.251	C	S	.	.			trans	-86.5	171.9	167.5	-160.2	-1	0	0	0	110.5	F44 D45 I46 R244	D42-F44 PolarHBondContact O-N 2.75Å; D42-D45 PolarHBondContact N-OD2 2.97Å; D42-D45 PolarHBondContact O-N 3.26Å; D42-D45 VanDerWaalsContact O-N 3.08Å; D42-I46 WeakPolarHBondContact O-CG1 3.42Å; D42-I46 PolarHBondContact O-N 3.31Å; D42-R244 VanDerWaalsContact CG-NH2 3.28Å; D42-R244 IonicContact OD1-CZ 3.89Å; D42-R244 VanDerWaalsContact OD1-CZ 3.27Å; D42-R244 IonicContact OD1-NE 2.85Å; D42-R244 PolarHBondContact OD1-NE 3.35Å; D42-R244 IonicContact OD1-NH2 3.39Å; D42-R244 PolarHBondContact OD1-NH2 2.83Å; D42-R244 VanDerWaalsContact OD1-NH2 3.1Å; D42-R244 IonicContact OD2-CZ 2.7Å; D42-R244 VanDerWaalsContact OD2-CZ 3.29Å; D42-R244 IonicContact OD2-NE 2.72Å; D42-R244 IonicContact OD2-NH2 2.96Å; D42-R244 PolarHBondContact OD2-NH2 3.3Å
43	I	94.8	Very high	90.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-50.5	-46.3	179	-61.3	172.6	0	0	0	111.1	D45 I46 N47 D58 C130 T155 H158	I43-D45 PolarHBondContact O-N 3.06Å; I43-I46 PolarHBondContact O-N 3.28Å; I43-N47 PolarHBondContact O-N 3.31Å; I43-D58 HydrophobicContact CG2-CB 3.8Å; I43-D58 WeakPolarHBondContact CG2-OD2 3.25Å; I43-C130 HydrophobicContact CG2-CB 4Å; I43-T155 HydrophobicContact CD1-CG2 3.95Å; I43-T155 HydrophobicContact CG1-CG2 3.81Å; I43-H158 HydrophobicContact CD1-CB 4.04Å
44	F	92.1	Very high	90.3	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-38.2	-177.9	-41.9	-57.1	0	0	0	112	D42 N47 E48 D58 H168 Y217 A221 F222	D42-F44 PolarHBondContact O-N 2.75Å; F44-N47 PolarHBondContact O-N 3.27Å; F44-E48 WeakPolarHBondContact O-CB 3.37Å; F44-E48 WeakPolarHBondContact O-CG 3.28Å; F44-E48 PolarHBondContact O-N 3.05Å; F44-D58 WeakPolarHBondContact CE1-OD2 3.34Å; F44-H168 AromaticContact CE1-CE1 3.99Å; F44-H168 AromaticContact CE1-NE2 3.55Å; F44-H168 AromaticContact CZ-NE2 3.67Å; F44-Y217 HydrophobicContact CD1-CD1 4.37Å; F44-Y217 AromaticContact CD1-CE1 3.72Å; F44-Y217 HydrophobicContact CD1-CE1 3.72Å; F44-Y217 AromaticContact CD2-CD1 3.95Å; F44-Y217 HydrophobicContact CD2-CD1 3.95Å; F44-Y217 HydrophobicContact CD2-CE1 4.1Å; F44-Y217 HydrophobicContact CD2-CG 4.35Å; F44-Y217 AromaticContact CE1-CD1 3.73Å; F44-Y217 HydrophobicContact CE1-CD1 3.73Å; F44-Y217 AromaticContact CE1-CE1 3.14Å; F44-Y217 HydrophobicContact CE1-CE1 3.14Å; F44-Y217 AromaticContact CE1-CZ 3.92Å; F44-Y217 AromaticContact CE2-CD1 3.19Å; F44-Y217 HydrophobicContact CE2-CD1 3.19Å; F44-Y217 AromaticContact CE2-CE1 3.55Å; F44-Y217 HydrophobicContact CE2-CE1 3.55Å; F44-Y217 AromaticContact CE2-CG 3.88Å; F44-Y217 HydrophobicContact CE2-CG 3.88Å; F44-Y217 HydrophobicContact CG-CD1 4.49Å; F44-Y217 HydrophobicContact CG-CE1 4.19Å; F44-Y217 AromaticContact CZ-CD1 3.1Å; F44-Y217 HydrophobicContact CZ-CD1 3.1Å; F44-Y217 AromaticContact CZ-CE1 3.06Å; F44-Y217 HydrophobicContact CZ-CE1 3.06Å; F44-Y217 HydrophobicContact CZ-CG 4.2Å; F44-A221 HydrophobicContact CD2-CB 4.27Å; F44-F222 HydrophobicContact CB-CE1 4.14Å; F44-F222 HydrophobicContact CB-CE2 4.08Å; F44-F222 HydrophobicContact CB-CZ 3.69Å; F44-F222 HydrophobicContact CD1-CE2 4.47Å; F44-F222 HydrophobicContact CD1-CZ 4.21Å; F44-F222 HydrophobicContact CG-CE2 4.24Å; F44-F222 HydrophobicContact CG-CZ 4.13Å
45	D	93.1	Very high	90.2	Very high	46 Å²	46	42 Å²	42	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-41.8	177.7	-54.2	-49.1	0	0	0	110.8	L41 D42 I43 N47 E48 E49	L41-D45 HydrophobicContact CB-CB 4.1Å; L41-D45 HydrophobicContact CD2-CB 3.81Å; D42-D45 PolarHBondContact N-OD2 2.97Å; D42-D45 PolarHBondContact O-N 3.26Å; D42-D45 VanDerWaalsContact O-N 3.08Å; I43-D45 PolarHBondContact O-N 3.06Å; D45-N47 PolarHBondContact O-N 3.43Å; D45-E48 PolarHBondContact O-N 3.43Å; D45-E49 WeakPolarHBondContact O-CB 3.25Å; D45-E49 WeakPolarHBondContact O-CG 3.41Å; D45-E49 PolarHBondContact O-N 3.46Å
46	I	94.3	Very high	90.3	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-46.3	176.4	-65.1	166.2	0	0	0	110.4	L41 D42 I43 E49 A50 N149	L41-I46 HydrophobicContact CB-CG1 3.96Å; D42-I46 WeakPolarHBondContact O-CG1 3.42Å; D42-I46 PolarHBondContact O-N 3.31Å; I43-I46 PolarHBondContact O-N 3.28Å; I46-E49 PolarHBondContact O-N 2.99Å; I46-A50 WeakPolarHBondContact O-CB 3.32Å; I46-A50 PolarHBondContact O-N 3.02Å; I46-N149 HydrophobicContact CD1-CB 3.84Å; I46-N149 WeakPolarHBondContact CD1-O 3.49Å; I46-N149 HydrophobicContact CG1-CB 4.32Å
47	N	96.3	Very high	90.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-36.8	-178.1	-68.8	-10	0	0	0	112.6	I43 F44 D45 A50 G51 L52 G57 D58 G129 C130	I43-N47 PolarHBondContact O-N 3.31Å; F44-N47 PolarHBondContact O-N 3.27Å; D45-N47 PolarHBondContact O-N 3.43Å; N47-A50 PolarHBondContact O-N 3.07Å; N47-G51 PolarHBondContact O-N 3.48Å; N47-L52 HydrophobicContact CB-CB 4.36Å; N47-L52 HydrophobicContact CB-CD1 4.08Å; N47-L52 WeakPolarHBondContact O-CB 3.47Å; N47-L52 PolarHBondContact O-N 3.11Å; N47-G57 WeakPolarHBondContact CB-O 3.42Å; N47-G57 PolarHBondContact ND2-O 3.39Å; N47-D58 WeakPolarHBondContact ND2-CB 3.4Å; N47-G129 WeakPolarHBondContact OD1-CA 3.37Å; N47-C130 PolarHBondContact ND2-O 3.35Å; N47-C130 PolarHBondContact OD1-N 3.33Å; N47-C130 PolarHBondContact OD1-O 3.43Å
48	E	92.8	Very high	91.2	Very high	40 Å²	40	36.9 Å²	36.9	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-44.5	173.1	-78.3	-59	126	0	0	111.7	F44 D45 A50 G51 R190 F222	F44-E48 WeakPolarHBondContact O-CB 3.37Å; F44-E48 WeakPolarHBondContact O-CG 3.28Å; F44-E48 PolarHBondContact O-N 3.05Å; D45-E48 PolarHBondContact O-N 3.43Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.24Å; E48-G51 WeakPolarHBondContact O-CA 3.49Å; E48-G51 PolarHBondContact O-N 3.13Å; E48-R190 WeakPolarHBondContact OE1-CD 3.25Å; E48-R190 IonicContact OE1-CZ 2.89Å; E48-R190 IonicContact OE1-NE 3.86Å; E48-R190 PolarHBondContact OE1-NE 2.95Å; E48-R190 IonicContact OE1-NH2 2.59Å; E48-R190 PolarHBondContact OE1-NH2 3.02Å; E48-R190 IonicContact OE2-CZ 3.74Å; E48-R190 IonicContact OE2-NE 3.53Å; E48-R190 PolarHBondContact OE2-NE 3.06Å; E48-R190 IonicContact OE2-NH2 3.82Å; E48-R190 PolarHBondContact OE2-NH2 3.4Å; E48-F222 HydrophobicContact CG-CD1 3.61Å; E48-F222 HydrophobicContact CG-CE1 3.53Å; E48-F222 VanDerWaalsContact OE1-CE1 3.22Å; E48-F222 WeakPolarHBondContact OE1-CE1 3.12Å
49	E	92.6	Very high	91.9	Very high	107 Å²	107	35 Å²	35	50%	0.5	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-31.5	175.9	-78.4	175.8	-144.6	0	0	113.3	R39 D45 I46 G51	R39-E49 IonicContact CZ-OE1 2.64Å; R39-E49 IonicContact CZ-OE2 3.86Å; R39-E49 IonicContact NH1-OE1 2.68Å; R39-E49 PolarHBondContact NH1-OE1 3.02Å; R39-E49 IonicContact NH1-OE2 2.75Å; R39-E49 PolarHBondContact NH1-OE2 2.87Å; R39-E49 IonicContact NH2-OE1 3.92Å; R39-E49 PolarHBondContact NH2-OE1 2.91Å; D45-E49 WeakPolarHBondContact O-CB 3.25Å; D45-E49 WeakPolarHBondContact O-CG 3.41Å; D45-E49 PolarHBondContact O-N 3.46Å; I46-E49 PolarHBondContact O-N 2.99Å; E49-G51 PolarHBondContact O-N 2.73Å
50	A	92.9	Very high	92.2	Very high	42 Å²	42	31.7 Å²	31.7	35%	0.347	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-4.6	171.5	0	0	0	0	0	113.1	I46 N47 E48 L52 N128	I46-A50 WeakPolarHBondContact O-CB 3.32Å; I46-A50 PolarHBondContact O-N 3.02Å; N47-A50 PolarHBondContact O-N 3.07Å; E48-A50 VanDerWaalsContact C-N 3.27Å; E48-A50 PolarHBondContact O-N 3.24Å; A50-L52 HydrophobicContact CB-CD1 4.48Å; A50-L52 HydrophobicContact CB-CG 4.03Å; A50-L52 PolarHBondContact O-N 3.48Å; A50-N128 HydrophobicContact CB-CB 4.31Å
51	G	92.4	Very high	92.1	Very high	60 Å²	60	31 Å²	31	62%	0.619	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.9	-178.8	0	0	0	0	0	113	N47 E48 E49	N47-G51 PolarHBondContact O-N 3.48Å; E48-G51 WeakPolarHBondContact O-CA 3.49Å; E48-G51 PolarHBondContact O-N 3.13Å; E49-G51 PolarHBondContact O-N 2.73Å
52	L	91.7	Very high	91	Very high	36 Å²	36	33 Å²	33	19%	0.188	19%	0.194	C	C	.	.			trans	-75	142.5	176.4	-62.6	-177	0	0	0	110.1	N47 A50 L54 N128 F131	N47-L52 HydrophobicContact CB-CB 4.36Å; N47-L52 HydrophobicContact CB-CD1 4.08Å; N47-L52 WeakPolarHBondContact O-CB 3.47Å; N47-L52 PolarHBondContact O-N 3.11Å; A50-L52 HydrophobicContact CB-CD1 4.48Å; A50-L52 HydrophobicContact CB-CG 4.03Å; A50-L52 PolarHBondContact O-N 3.48Å; L52-L54 HydrophobicContact CB-CD1 4.42Å; L52-L54 HydrophobicContact CB-CG 4.17Å; L52-L54 HydrophobicContact CD1-CD1 3.85Å; L52-L54 HydrophobicContact CD1-CG 4.42Å; L52-N128 WeakPolarHBondContact CD1-O 2.99Å; L52-F131 HydrophobicContact CD1-CD1 3.84Å; L52-F131 HydrophobicContact CD1-CE1 3.99Å
53	N	89.6	Confident	89.2	Confident	103 Å²	103	41.7 Å²	41.7	55%	0.551	23%	0.234	S	C	*	.			trans	-123.2	62.7	173.5	-169.2	48.3	0	0	0	108.6	R190 H192	N53-R190 PolarHBondContact OD1-NH1 3.05Å; N53-R190 VanDerWaalsContact OD1-NH1 3.13Å; N53-H192 PolarHBondContact OD1-CE1 2.7Å
54	L	91.6	Very high	87.1	Confident	33 Å²	33	47 Å²	47	17%	0.173	27%	0.266	C	S	.	.			trans	-84.5	158.7	177.9	-62.6	177.2	0	0	0	110.1	L52 E56 G57 V60 F131 N193	L52-L54 HydrophobicContact CB-CD1 4.42Å; L52-L54 HydrophobicContact CB-CG 4.17Å; L52-L54 HydrophobicContact CD1-CD1 3.85Å; L52-L54 HydrophobicContact CD1-CG 4.42Å; L54-E56 PolarHBondContact O-N 2.88Å; L54-G57 PolarHBondContact O-N 3.08Å; L54-V60 HydrophobicContact CD1-CG2 4.43Å; L54-V60 HydrophobicContact CD2-CG2 4Å; L54-F131 HydrophobicContact CD1-CB 3.47Å; L54-F131 VanDerWaalsContact CD1-CB 3.47Å; L54-F131 HydrophobicContact CD1-CD1 3.78Å; L54-F131 HydrophobicContact CD1-CD2 4.46Å; L54-F131 HydrophobicContact CD1-CG 3.68Å; L54-N193 PolarHBondContact O-OD1 2.96Å
55	V	91	Very high	85.4	Confident	33 Å²	33	48.4 Å²	48.4	20%	0.2	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-66.7	129.3	175	170.1	0	0	0	0	108.3	G57 D58 I59 L61 W167	V55-G57 PolarHBondContact O-N 2.91Å; V55-G57 VanDerWaalsContact O-N 3.07Å; V55-D58 PolarHBondContact O-N 3.37Å; V55-I59 HydrophobicContact CB-CB 4.3Å; V55-I59 PolarHBondContact N-O 3.43Å; V55-I59 WeakPolarHBondContact O-CA 3.41Å; V55-I59 WeakPolarHBondContact O-CB 3.42Å; V55-I59 PolarHBondContact O-N 3.46Å; V55-L61 HydrophobicContact CB-CD1 4.22Å; V55-L61 HydrophobicContact CB-CG 4.05Å; V55-L61 HydrophobicContact CG1-CD1 4.35Å; V55-L61 HydrophobicContact CG1-CG 4.46Å; V55-L61 HydrophobicContact CG2-CD1 3.5Å; V55-L61 VanDerWaalsContact CG2-CD1 3.5Å; V55-L61 HydrophobicContact CG2-CG 3.66Å; V55-W167 HydrophobicContact CG1-CZ3 4.2Å
56	E	92.3	Very high	83.1	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	31.7	-176.7	-57.5	-169.7	164.8	0	0	112.7	L54 D58 I59 H168 S171 N193 Y197 Y217	L54-E56 PolarHBondContact O-N 2.88Å; E56-D58 PolarHBondContact O-N 3.44Å; E56-I59 HydrophobicContact CB-CD1 4.23Å; E56-H168 WeakPolarHBondContact CB-ND1 3.36Å; E56-H168 PolarHBondContact O-CE1 2.74Å; E56-H168 IonicContact OE2-CE1 3.72Å; E56-H168 IonicContact OE2-CG 3.67Å; E56-H168 IonicContact OE2-ND1 2.73Å; E56-H168 PolarHBondContact OE2-ND1 3.34Å; E56-S171 WeakPolarHBondContact OE1-CB 3.44Å; E56-S171 PolarHBondContact OE1-OG 3.03Å; E56-S171 PolarHBondContact OE2-OG 2.91Å; E56-N193 WeakPolarHBondContact CA-OD1 3.48Å; E56-N193 PolarHBondContact N-OD1 2.86Å; E56-Y197 WeakPolarHBondContact OE1-CE2 3.37Å; E56-Y197 PolarHBondContact OE1-OH 2.85Å; E56-Y217 WeakPolarHBondContact CA-OH 3.48Å; E56-Y217 VanDerWaalsContact CB-OH 3.27Å; E56-Y217 WeakPolarHBondContact CB-OH 3.38Å; E56-Y217 PolarHBondContact O-OH 3.38Å
57	G	93.9	Very high	80.8	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.01	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	-32.2	175.4	0	0	0	0	0	116.2	N47 L54 V55 N193	N47-G57 WeakPolarHBondContact CB-O 3.42Å; N47-G57 PolarHBondContact ND2-O 3.39Å; L54-G57 PolarHBondContact O-N 3.08Å; V55-G57 PolarHBondContact O-N 2.91Å; V55-G57 VanDerWaalsContact O-N 3.07Å; G57-N193 PolarHBondContact N-OD1 2.92Å
58	D	95.8	Very high	78	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	5	-172.4	61.4	4	0	0	0	114.5	I43 F44 N47 V55 E56 C130 F131 S132 H158 H162 H168	I43-D58 HydrophobicContact CG2-CB 3.8Å; I43-D58 WeakPolarHBondContact CG2-OD2 3.25Å; F44-D58 WeakPolarHBondContact CE1-OD2 3.34Å; N47-D58 WeakPolarHBondContact ND2-CB 3.4Å; V55-D58 PolarHBondContact O-N 3.37Å; E56-D58 PolarHBondContact O-N 3.44Å; D58-C130 WeakPolarHBondContact CB-O 3.4Å; D58-F131 HydrophobicContact CB-CB 4.28Å; D58-F131 WeakPolarHBondContact O-CA 3.43Å; D58-F131 WeakPolarHBondContact O-CB 3.27Å; D58-S132 PolarHBondContact O-N 3.42Å; D58-H158 IonicContact OD2-CD2 2.78Å; D58-H158 IonicContact OD2-NE2 3.41Å; D58-H158 PolarHBondContact OD2-NE2 2.83Å; D58-H158 VanDerWaalsContact OD2-NE2 3.12Å; D58-H162 IonicContact OD1-NE2 2.77Å; D58-H162 PolarHBondContact OD1-NE2 3.16Å; D58-H162 IonicContact OD2-NE2 3.21Å; D58-H168 IonicContact OD1-CE1 2.8Å; D58-H168 PolarHBondContact OD1-CE1 2.59Å; D58-H168 IonicContact OD1-NE2 3.49Å; D58-H168 IonicContact OD2-CE1 3.75Å; D58-H168 IonicContact OD2-NE2 3.34Å
59	I	93.5	Very high	75.5	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-96.5	119.3	176.5	-61.4	172.5	0	0	0	110.4	V55 E56 L61 S132 V134 W167	V55-I59 HydrophobicContact CB-CB 4.3Å; V55-I59 PolarHBondContact N-O 3.43Å; V55-I59 WeakPolarHBondContact O-CA 3.41Å; V55-I59 WeakPolarHBondContact O-CB 3.42Å; V55-I59 PolarHBondContact O-N 3.46Å; E56-I59 HydrophobicContact CB-CD1 4.23Å; I59-L61 HydrophobicContact CG2-CD2 3.87Å; I59-S132 WeakPolarHBondContact CA-O 3.35Å; I59-V134 HydrophobicContact CB-CG2 4.46Å; I59-V134 HydrophobicContact CD1-CG2 3.88Å; I59-V134 HydrophobicContact CG1-CG2 4.08Å; I59-V134 HydrophobicContact CG2-CG2 3.59Å; I59-W167 HydrophobicContact CD1-CD2 4.31Å; I59-W167 HydrophobicContact CD1-CE3 3.49Å; I59-W167 VanDerWaalsContact CD1-CE3 3.49Å; I59-W167 HydrophobicContact CD1-CZ3 3.82Å; I59-W167 HydrophobicContact CG2-CZ3 4.33Å
60	V	90.8	Very high	73.9	Confident	43 Å²	43	60.8 Å²	60.8	26%	0.261	34%	0.335	S	S	.	.			trans	-83.9	115.8	170.1	-179.1	0	0	0	0	109.4	L54 F131 S132 S133	L54-V60 HydrophobicContact CD1-CG2 4.43Å; L54-V60 HydrophobicContact CD2-CG2 4Å; V60-F131 HydrophobicContact CG2-CB 4.33Å; V60-F131 HydrophobicContact CG2-CD2 3.33Å; V60-F131 HydrophobicContact CG2-CE2 3.83Å; V60-F131 HydrophobicContact CG2-CG 4.08Å; V60-S132 PolarHBondContact N-O 3.19Å; V60-S133 PolarHBondContact O-OG 3.24Å
61	L	82.4	Confident	72.2	Confident	61 Å²	61	62.7 Å²	62.7	32%	0.319	34%	0.338	S	S	.	.			trans	-90.3	136.9	167.9	-60	-171.6	0	0	0	112.3	V55 I59 Q65 W167	V55-L61 HydrophobicContact CB-CD1 4.22Å; V55-L61 HydrophobicContact CB-CG 4.05Å; V55-L61 HydrophobicContact CG1-CD1 4.35Å; V55-L61 HydrophobicContact CG1-CG 4.46Å; V55-L61 HydrophobicContact CG2-CD1 3.5Å; V55-L61 VanDerWaalsContact CG2-CD1 3.5Å; V55-L61 HydrophobicContact CG2-CG 3.66Å; I59-L61 HydrophobicContact CG2-CD2 3.87Å; L61-Q65 VanDerWaalsContact CB-OE1 3.22Å; L61-W167 HydrophobicContact CD2-CH2 3.88Å
62	D	65.6	Low	71.1	Confident	60 Å²	60	61 Å²	61	32%	0.321	32%	0.32	S	S	.	.			trans	-81.2	151.7	172.1	-176.8	25.3	0	0	0	111.1	T64 Q65	D62-T64 PolarHBondContact O-N 3.42Å; D62-T64 VanDerWaalsContact O-N 3.08Å; D62-T64 PolarHBondContact OD2-OG1 3.06Å; D62-Q65 WeakPolarHBondContact O-CB 3.48Å; D62-Q65 PolarHBondContact O-N 3.23Å
63	E	52.9	Low	70.5	Confident	197 Å²	197	64.7 Å²	64.7	92%	0.921	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.3	179.9	-66.3	-175.4	173.6	0	0	112.7
64	T	51.5	Low	70.3	Confident	111 Å²	111	64.3 Å²	64.3	68%	0.681	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.6	175.9	68.3	0	0	0	0	113.9	D62 T66	D62-T64 PolarHBondContact O-N 3.42Å; D62-T64 VanDerWaalsContact O-N 3.08Å; D62-T64 PolarHBondContact OD2-OG1 3.06Å; T64-T66 PolarHBondContact O-N 3.3Å; T64-T66 VanDerWaalsContact O-N 3.16Å
65	Q	56.1	Low	70.1	Confident	30 Å²	30	65.3 Å²	65.3	14%	0.14	34%	0.337	C	S	.	.			trans	-75.9	103.7	172.2	-80.8	170.9	-38.4	0	0	109.7	L61 D62 R137	L61-Q65 VanDerWaalsContact CB-OE1 3.22Å; D62-Q65 WeakPolarHBondContact O-CB 3.48Å; D62-Q65 PolarHBondContact O-N 3.23Å; Q65-R137 VanDerWaalsContact CG-NH2 3.26Å
66	T	44.9	Very low	70.2	Confident	102 Å²	102	66.2 Å²	66.2	63%	0.626	34%	0.338	S	S	*	.			trans	-56.5	145.4	146.2	50.8	0	0	0	0	107.7	T64 N68	T64-T66 PolarHBondContact O-N 3.3Å; T64-T66 VanDerWaalsContact O-N 3.16Å; T66-N68 PolarHBondContact O-N 2.75Å
67	R	45.8	Very low	70.5	Confident	214 Å²	214	66.6 Å²	66.6	81%	0.808	34%	0.34	S	S	*	.	S	Bend	trans	-56	9.3	176.7	-66.8	179.3	174.6	178.7	-3.9	115.2
68	N	37.6	Very low	70.6	Confident	97 Å²	97	70 Å²	70	52%	0.519	36%	0.362	S	S	.	.			trans	-115.6	131.9	-178.2	-58.5	-10.5	0	0	0	110.4	T66 V201	T66-N68 PolarHBondContact O-N 2.75Å; N68-V201 HydrophobicContact CB-CG2 4.22Å
69	S	41.1	Very low	70.6	Confident	35 Å²	35	73.3 Å²	73.3	25%	0.245	38%	0.382	C	S	.	.			trans	89.4	126.1	175.3	80.1	0	0	0	0	116.8
70	I	58.1	Low	70.8	Confident	19 Å²	19	75.7 Å²	75.7	10%	0.097	40%	0.396	C	S	.	.				-133.6	81.5	100.5	-54.2	-168.8	0	0	0	110.8	Y75 V134 V201	I70-Y75 VanDerWaalsContact CG2-CB 3.47Å; I70-Y75 HydrophobicContact CG2-CD2 3.76Å; I70-Y75 HydrophobicContact CG2-CG 3.77Å; I70-V134 HydrophobicContact CD1-CB 3.7Å; I70-V134 HydrophobicContact CD1-CG1 3.81Å; I70-V134 WeakPolarHBondContact CD1-O 3.33Å; I70-V201 CarbonylContact C-O 3.39Å; I70-V201 PolarHBondContact N-O 3.49Å
71	I	58.5	Low	71.2	Confident	82 Å²	82	73.7 Å²	73.7	42%	0.421	38%	0.384	S	S	.	.			trans	-116	114.4	151.6	-65.6	175.8	0	0	0	105.1	D199	I71-D199 WeakPolarHBondContact CD1-O 3.22Å
72	G	69.1	Low	72	Confident	23 Å²	23	71 Å²	71	24%	0.237	37%	0.37	C	S	.	.	S	Bend	trans	168.5	130.4	-179.5	0	0	0	0	0	111.8	E74 Y75	G72-E74 WeakPolarHBondContact CA-OE2 3.35Å; G72-E74 PolarHBondContact O-N 3.25Å; G72-Y75 PolarHBondContact O-N 2.87Å
73	D	79.4	Confident	73.5	Confident	115 Å²	115	68.9 Å²	68.9	62%	0.615	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.7	176.7	-81.2	-28.2	0	0	0	111.7	Y75 K76	D73-Y75 VanDerWaalsContact C-N 3.28Å; D73-Y75 PolarHBondContact O-N 2.77Å; D73-K76 PolarHBondContact O-N 2.83Å; D73-K76 VanDerWaalsContact OD1-CE 3.26Å; D73-K76 WeakPolarHBondContact OD1-CE 3.3Å; D73-K76 IonicContact OD1-NZ 2.8Å; D73-K76 PolarHBondContact OD1-NZ 3.41Å
74	E	83.9	Confident	75.7	Confident	95 Å²	95	60.5 Å²	60.5	44%	0.444	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-68.7	-20.8	177.8	67.5	-87.4	-153	0	0	114.5	G72 K138	G72-E74 WeakPolarHBondContact CA-OE2 3.35Å; G72-E74 PolarHBondContact O-N 3.25Å; E74-K138 WeakPolarHBondContact O-CE 3.16Å; E74-K138 PolarHBondContact O-NZ 3.37Å
75	Y	88.9	Confident	77.9	Confident	54 Å²	54	55.4 Å²	55.4	21%	0.212	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-96.8	4	178.8	-59.9	-68.7	0	0	0	112.7	I70 G72 D73 N136	I70-Y75 VanDerWaalsContact CG2-CB 3.47Å; I70-Y75 HydrophobicContact CG2-CD2 3.76Å; I70-Y75 HydrophobicContact CG2-CG 3.77Å; G72-Y75 PolarHBondContact O-N 2.87Å; D73-Y75 VanDerWaalsContact C-N 3.28Å; D73-Y75 PolarHBondContact O-N 2.77Å; Y75-N136 WeakPolarHBondContact O-CB 3.37Å; Y75-N136 PolarHBondContact O-N 2.76Å
76	K	93	Very high	79.9	Confident	52 Å²	52	55.8 Å²	55.8	23%	0.226	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-80.1	139.7	175.4	-65.7	-179.7	-177.9	174.2	0	110.5	D73 L258 Y259	D73-K76 PolarHBondContact O-N 2.83Å; D73-K76 VanDerWaalsContact OD1-CE 3.26Å; D73-K76 WeakPolarHBondContact OD1-CE 3.3Å; D73-K76 IonicContact OD1-NZ 2.8Å; D73-K76 PolarHBondContact OD1-NZ 3.41Å; K76-L258 WeakPolarHBondContact CE-O 3.11Å; K76-L258 PolarHBondContact NZ-O 3Å; K76-Y259 HydrophobicContact CB-CE1 4.46Å
77	W	96.9	Very high	82.3	Confident	8 Å²	8	54.8 Å²	54.8	3%	0.03	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-70.4	158.2	161.8	-71.3	94.1	0	0	0	110.8	V81 N120 I122 N136 Q142 A163 Y259	W77-V81 HydrophobicContact CB-CG2 3.87Å; W77-V81 HydrophobicContact CD2-CG1 3.97Å; W77-V81 HydrophobicContact CE3-CG1 3.89Å; W77-V81 HydrophobicContact CG-CG1 4.25Å; W77-V81 HydrophobicContact CG-CG2 4.32Å; W77-V81 HydrophobicContact CZ3-CG1 4.49Å; W77-N120 HydrophobicContact CH2-CB 4.05Å; W77-N120 HydrophobicContact CZ3-CB 3.86Å; W77-I122 HydrophobicContact CH2-CG1 3.94Å; W77-I122 HydrophobicContact CZ2-CD1 4.25Å; W77-I122 HydrophobicContact CZ2-CG1 3.64Å; W77-N136 HydrophobicContact CD2-CB 3.72Å; W77-N136 HydrophobicContact CE3-CB 4.41Å; W77-N136 HydrophobicContact CG-CB 3.86Å; W77-N136 HydrophobicContact CZ2-CB 4.05Å; W77-Q142 HydrophobicContact CH2-CB 4.48Å; W77-Q142 HydrophobicContact CZ2-CB 4.33Å; W77-A163 PolarHBondContact NE1-O 2.72Å; W77-Y259 PolarHBondContact N-OH 3.22Å; W77-Y259 VanDerWaalsContact O-CE1 3.26Å; W77-Y259 WeakPolarHBondContact O-CE1 3.23Å
78	P	96.6	Very high	84.8	Confident	73 Å²	73	48.5 Å²	48.5	47%	0.474	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-55.9	154.5	157.4	26.9	-35.6	0	0	0	110.5	T80	P78-T80 WeakPolarHBondContact CG-O 3.28Å; P78-T80 PolarHBondContact O-N 3.06Å; P78-T80 VanDerWaalsContact O-N 3.14Å
79	T	96.3	Very high	87.6	Confident	68 Å²	68	44.1 Å²	44.1	42%	0.417	24%	0.238	S	C	.	.	S	Bend	trans	-60.1	-24.9	177.4	51.3	0	0	0	0	112.6	I110 D111 Y259	T79-I110 CarbonylContact O-C 3.54Å; T79-I110 WeakPolarHBondContact O-CA 3.45Å; T79-D111 PolarHBondContact O-N 3.02Å; T79-Y259 HydrophobicContact CG2-CD1 4.3Å
80	T	98	Very high	90.3	Very high	51 Å²	51	45.5 Å²	45.5	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	101.2	168.9	-51.9	0	0	0	0	109.5	P78 P82 D111 K113	P78-T80 WeakPolarHBondContact CG-O 3.28Å; P78-T80 PolarHBondContact O-N 3.06Å; P78-T80 VanDerWaalsContact O-N 3.14Å; T80-P82 WeakPolarHBondContact O-CD 3.37Å; T80-D111 CarbonylContact C-O 3.54Å; T80-D111 VanDerWaalsContact CA-O 3.3Å; T80-D111 WeakPolarHBondContact CA-O 3.14Å; T80-D111 HydrophobicContact CG2-CB 4.28Å; T80-K113 HydrophobicContact CG2-CB 4.04Å; T80-K113 HydrophobicContact CG2-CD 3.74Å; T80-K113 HydrophobicContact CG2-CG 3.78Å
81	V	98.6	Very high	92.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.8	-175.2	-172.4	0	0	0	0	110.2	W77 I110 D111 F112 K113 I122 L164	W77-V81 HydrophobicContact CB-CG2 3.87Å; W77-V81 HydrophobicContact CD2-CG1 3.97Å; W77-V81 HydrophobicContact CE3-CG1 3.89Å; W77-V81 HydrophobicContact CG-CG1 4.25Å; W77-V81 HydrophobicContact CG-CG2 4.32Å; W77-V81 HydrophobicContact CZ3-CG1 4.49Å; V81-I110 HydrophobicContact CG2-CG2 4.07Å; V81-D111 PolarHBondContact N-O 2.03Å; V81-F112 HydrophobicContact CB-CD1 3.74Å; V81-F112 HydrophobicContact CB-CE1 3.76Å; V81-F112 HydrophobicContact CG1-CD1 4.3Å; V81-F112 HydrophobicContact CG1-CE1 4.17Å; V81-F112 HydrophobicContact CG2-CD1 4.42Å; V81-F112 HydrophobicContact CG2-CE1 4.03Å; V81-F112 WeakPolarHBondContact O-CA 3.02Å; V81-K113 PolarHBondContact O-N 2.03Å; V81-I122 HydrophobicContact CG1-CD1 3.67Å; V81-I122 HydrophobicContact CG1-CG1 4.07Å; V81-L164 HydrophobicContact CG2-CD2 4.16Å
82	P	98.5	Very high	94	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.7	173	-14.2	30.1	0	0	0	110.5	T80 K113 W115 E118 Y121 I122	T80-P82 WeakPolarHBondContact O-CD 3.37Å; P82-K113 CarbonylContact C-O 3.16Å; P82-K113 WeakPolarHBondContact CA-O 3Å; P82-W115 HydrophobicContact CB-CB 4.44Å; P82-E118 HydrophobicContact CB-CB 4.24Å; P82-E118 HydrophobicContact CB-CG 4.15Å; P82-E118 HydrophobicContact CG-CB 3.78Å; P82-E118 HydrophobicContact CG-CG 3.57Å; P82-Y121 WeakPolarHBondContact O-CA 3.15Å; P82-Y121 WeakPolarHBondContact O-CB 2.99Å; P82-I122 PolarHBondContact O-N 3.22Å
83	Y	98.5	Very high	95.4	Very high	16 Å²	16	41.5 Å²	41.5	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.6	177.7	76.3	-88.8	0	0	0	112.4	M85 F101 F112 K113 P114 W115 I122 I124	Y83-M85 HydrophobicContact CD2-CG 4.02Å; Y83-M85 HydrophobicContact CE2-CE 4.15Å; Y83-M85 HydrophobicContact CE2-CG 3.99Å; Y83-M85 HydrophobicContact CE2-SD 4.4Å; Y83-F101 HydrophobicContact CD1-CD2 4.45Å; Y83-F101 AromaticContact CD1-CE2 3.63Å; Y83-F101 HydrophobicContact CD1-CE2 3.63Å; Y83-F101 HydrophobicContact CD1-CZ 4.11Å; Y83-F101 AromaticContact CD2-CE2 3.88Å; Y83-F101 HydrophobicContact CD2-CE2 3.88Å; Y83-F101 HydrophobicContact CD2-CZ 4.25Å; Y83-F101 HydrophobicContact CE1-CD2 4.1Å; Y83-F101 AromaticContact CE1-CE2 3.58Å; Y83-F101 HydrophobicContact CE1-CE2 3.58Å; Y83-F101 HydrophobicContact CE1-CZ 4.49Å; Y83-F101 AromaticContact CE2-CE2 3.84Å; Y83-F101 HydrophobicContact CE2-CE2 3.84Å; Y83-F101 AromaticContact CG-CE2 3.79Å; Y83-F101 HydrophobicContact CG-CE2 3.79Å; Y83-F101 AromaticContact CG-CZ 3.98Å; Y83-F101 HydrophobicContact CG-CZ 3.98Å; Y83-F101 AromaticContact CZ-CE2 3.7Å; Y83-F112 HydrophobicContact CD1-CB 3.8Å; Y83-F112 HydrophobicContact CE1-CB 4Å; Y83-K113 WeakPolarHBondContact CD1-O 3.22Å; Y83-K113 PolarHBondContact N-O 3.41Å; Y83-P114 HydrophobicContact CE1-CG 4.36Å; Y83-P114 CarbonylContact O-C 3.49Å; Y83-P114 WeakPolarHBondContact O-CA 3.26Å; Y83-W115 WeakPolarHBondContact O-CB 3.48Å; Y83-W115 PolarHBondContact O-N 3.02Å; Y83-I122 CarbonylContact C-O 3.52Å; Y83-I122 VanDerWaalsContact CA-O 3.24Å; Y83-I122 WeakPolarHBondContact CA-O 2.82Å; Y83-I124 HydrophobicContact CD2-CD1 4.22Å
84	Y	98.2	Very high	96.3	Very high	22 Å²	22	36.3 Å²	36.3	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.9	170.5	-173.7	-90.9	0	0	0	108.8	E86 W115 Y121 I122 S123 I124 Q609 V611	Y84-E86 HydrophobicContact CD1-CG 4.25Å; Y84-E86 WeakPolarHBondContact CD1-OE1 3.2Å; Y84-E86 HydrophobicContact CE1-CG 4.4Å; Y84-E86 WeakPolarHBondContact CE1-OE2 3.06Å; Y84-W115 HydrophobicContact CD2-CE3 4.04Å; Y84-Y121 HydrophobicContact CG-CE2 4.48Å; Y84-I122 PolarHBondContact N-O 3.17Å; Y84-S123 WeakPolarHBondContact O-CA 3.19Å; Y84-I124 PolarHBondContact O-N 3.09Å; Y84-Q609 HydrophobicContact CD2-CB 4.13Å; Y84-Q609 HydrophobicContact CE2-CB 3.67Å; Y84-Q609 PolarHBondContact OH-O 3.19Å; Y84-V611 HydrophobicContact CE2-CG2 4.37Å
85	M	98.1	Very high	97	Very high	4 Å²	4	32 Å²	32	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.2	174.2	-69.7	-171.1	-64.4	0	0	108.8	Y83 L89 K94 I97 L98 I124 L605 Q609	Y83-M85 HydrophobicContact CD2-CG 4.02Å; Y83-M85 HydrophobicContact CE2-CE 4.15Å; Y83-M85 HydrophobicContact CE2-CG 3.99Å; Y83-M85 HydrophobicContact CE2-SD 4.4Å; M85-L89 HydrophobicContact CB-CD1 3.87Å; M85-L89 HydrophobicContact CG-CD1 4.16Å; M85-K94 HydrophobicContact CE-CB 4.41Å; M85-K94 HydrophobicContact SD-CB 3.98Å; M85-K94 HydrophobicContact SD-CG 4.1Å; M85-I97 HydrophobicContact SD-CB 4.37Å; M85-I97 HydrophobicContact SD-CD1 4.38Å; M85-I97 HydrophobicContact SD-CG2 4.13Å; M85-L98 HydrophobicContact CE-CD1 4.43Å; M85-L98 HydrophobicContact CE-CD2 4.16Å; M85-L98 HydrophobicContact CE-CG 4.33Å; M85-I124 HydrophobicContact CG-CD1 4.09Å; M85-L605 HydrophobicContact CE-CD2 4.37Å; M85-Q609 VanDerWaalsContact CE-NE2 3.29Å
86	E	97.7	Very high	97.5	Very high	37 Å²	37	29.5 Å²	29.5	17%	0.173	16%	0.158	C	C	.	.			trans	-67.3	158.6	177.3	-58.4	-68.9	165.4	0	0	111.5	Y84 D88 L89 K94 S123 I124 F125 K141	Y84-E86 HydrophobicContact CD1-CG 4.25Å; Y84-E86 WeakPolarHBondContact CD1-OE1 3.2Å; Y84-E86 HydrophobicContact CE1-CG 4.4Å; Y84-E86 WeakPolarHBondContact CE1-OE2 3.06Å; E86-D88 VanDerWaalsContact C-N 3.28Å; E86-D88 WeakPolarHBondContact CB-OD1 3.46Å; E86-D88 PolarHBondContact O-N 3.05Å; E86-L89 PolarHBondContact O-N 3.01Å; E86-K94 WeakPolarHBondContact O-CE 2.99Å; E86-S123 PolarHBondContact OE1-OG 3.32Å; E86-I124 WeakPolarHBondContact CB-O 2.97Å; E86-I124 WeakPolarHBondContact CG-O 3.2Å; E86-I124 PolarHBondContact N-O 2.93Å; E86-F125 HydrophobicContact CB-CB 3.93Å; E86-F125 HydrophobicContact CG-CB 3.65Å; E86-K141 WeakPolarHBondContact OE1-CE 3.21Å; E86-K141 IonicContact OE1-NZ 2.75Å; E86-K141 PolarHBondContact OE1-NZ 3.35Å; E86-K141 IonicContact OE2-NZ 3.05Å
87	D	96.4	Very high	97.7	Very high	82 Å²	82	27 Å²	27	44%	0.439	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19	-173.7	-70.3	-18.3	0	0	0	113.6	L89 S608	D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 3.01Å; D87-S608 VanDerWaalsContact CG-OG 3.23Å; D87-S608 VanDerWaalsContact OD1-CA 3.25Å; D87-S608 WeakPolarHBondContact OD1-CA 3.47Å; D87-S608 WeakPolarHBondContact OD1-CB 3.01Å; D87-S608 PolarHBondContact OD1-OG 3.12Å; D87-S608 WeakPolarHBondContact OD2-CB 3.48Å; D87-S608 PolarHBondContact OD2-OG 2.83Å
88	D	97	Very high	97.8	Very high	81 Å²	81	28.9 Å²	28.9	43%	0.433	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.4	178.6	64.4	-5.7	0	0	0	113.7	E86 K126	E86-D88 VanDerWaalsContact C-N 3.28Å; E86-D88 WeakPolarHBondContact CB-OD1 3.46Å; E86-D88 PolarHBondContact O-N 3.05Å; D88-K126 HydrophobicContact CB-CB 4.21Å; D88-K126 VanDerWaalsContact O-CB 3.26Å; D88-K126 WeakPolarHBondContact O-CB 3.1Å; D88-K126 VanDerWaalsContact O-CD 3.3Å; D88-K126 WeakPolarHBondContact O-CD 3.17Å; D88-K126 PolarHBondContact OD1-N 3.16Å; D88-K126 PolarHBondContact OD2-N 3.16Å
89	L	97.6	Very high	97.9	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.142	C	C	.	.	S	Bend	trans	-63.1	136.3	174.2	-74.6	172.1	0	0	0	111.5	M85 E86 D87 K94 I97 I124 F125 K126 I146	M85-L89 HydrophobicContact CB-CD1 3.87Å; M85-L89 HydrophobicContact CG-CD1 4.16Å; E86-L89 PolarHBondContact O-N 3.01Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-L89 PolarHBondContact O-N 3.01Å; L89-K94 HydrophobicContact CB-CD 4.38Å; L89-K94 HydrophobicContact CB-CG 3.77Å; L89-K94 HydrophobicContact CD1-CG 4.17Å; L89-I97 HydrophobicContact CD1-CD1 4.01Å; L89-I124 HydrophobicContact CD1-CB 4.14Å; L89-I124 HydrophobicContact CD1-CG2 3.99Å; L89-I124 VanDerWaalsContact CD1-O 3.31Å; L89-I124 WeakPolarHBondContact CD1-O 3.42Å; L89-I124 HydrophobicContact CD2-CG2 4.3Å; L89-F125 VanDerWaalsContact CD2-C 3.48Å; L89-K126 HydrophobicContact CD2-CB 4.47Å; L89-I146 HydrophobicContact CD2-CB 4.14Å
90	E	96.3	Very high	98	Very high	65 Å²	65	23.7 Å²	23.7	30%	0.304	12%	0.122	S	C	.	.			trans	-60.7	142.4	170.6	-64	177.1	-170.5	0	0	110.4	N92 A93 K94 K126 T148	E90-N92 PolarHBondContact O-N 3.22Å; E90-A93 HydrophobicContact CB-CB 4.25Å; E90-A93 WeakPolarHBondContact O-CA 3.37Å; E90-A93 WeakPolarHBondContact O-CB 3.34Å; E90-A93 PolarHBondContact O-N 3.38Å; E90-K94 PolarHBondContact O-N 3.5Å; E90-K126 HydrophobicContact CG-CD 4.24Å; E90-K126 WeakPolarHBondContact OE1-CE 3.41Å; E90-K126 IonicContact OE1-NZ 3.97Å; E90-K126 PolarHBondContact OE1-NZ 3.46Å; E90-T148 PolarHBondContact OE1-OG1 2.82Å
91	I	97.6	Very high	98	Very high	20 Å²	20	21.3 Å²	21.3	10%	0.103	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-33	-177.5	-56.6	-56	0	0	0	111.3	K94 G95 W507 T532 V602 L605 T606	I91-K94 HydrophobicContact CD1-CD 4.36Å; I91-K94 PolarHBondContact O-N 2.86Å; I91-G95 PolarHBondContact O-N 3.37Å; I91-W507 HydrophobicContact CB-CE3 3.67Å; I91-W507 HydrophobicContact CB-CZ3 3.68Å; I91-W507 HydrophobicContact CG1-CD2 4.28Å; I91-W507 HydrophobicContact CG1-CE3 3.68Å; I91-W507 HydrophobicContact CG1-CH2 3.9Å; I91-W507 HydrophobicContact CG1-CZ2 4.45Å; I91-W507 HydrophobicContact CG1-CZ3 3.47Å; I91-W507 VanDerWaalsContact CG1-CZ3 3.47Å; I91-W507 HydrophobicContact CG2-CD2 4.36Å; I91-W507 HydrophobicContact CG2-CE3 3.73Å; I91-W507 HydrophobicContact CG2-CZ3 4.29Å; I91-T532 HydrophobicContact CG2-CG2 4.14Å; I91-V602 HydrophobicContact CG2-CG2 3.82Å; I91-L605 HydrophobicContact CG2-CB 4.5Å; I91-T606 HydrophobicContact CD1-CG2 3.8Å; I91-T606 HydrophobicContact CG1-CG2 4.12Å
92	N	98.2	Very high	98	Very high	17 Å²	17	23.3 Å²	23.3	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-51.2	171.4	-165.5	50.9	0	0	0	111.1	E90 K94 G95 V96 D151 Q509 S530 T532	E90-N92 PolarHBondContact O-N 3.22Å; N92-K94 VanDerWaalsContact C-N 3.35Å; N92-K94 PolarHBondContact O-N 3.23Å; N92-G95 PolarHBondContact O-N 2.88Å; N92-G95 VanDerWaalsContact O-N 3.09Å; N92-V96 WeakPolarHBondContact O-CG2 3.28Å; N92-V96 PolarHBondContact O-N 3.45Å; N92-D151 PolarHBondContact ND2-OD2 3.11Å; N92-Q509 PolarHBondContact O-NE2 2.92Å; N92-Q509 VanDerWaalsContact O-NE2 3.07Å; N92-Q509 PolarHBondContact OD1-NE2 3.34Å; N92-S530 PolarHBondContact ND2-O 3.01Å; N92-S530 PolarHBondContact OD1-O 3.2Å; N92-T532 WeakPolarHBondContact CA-OG1 3.48Å; N92-T532 PolarHBondContact OD1-OG1 2.98Å
93	A	98.4	Very high	98	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-55.1	-46.4	177.4	0	0	0	0	0	112.1	E90 G95 V96 I97 I146 D151	E90-A93 HydrophobicContact CB-CB 4.25Å; E90-A93 WeakPolarHBondContact O-CA 3.37Å; E90-A93 WeakPolarHBondContact O-CB 3.34Å; E90-A93 PolarHBondContact O-N 3.38Å; A93-G95 VanDerWaalsContact C-N 3.32Å; A93-G95 PolarHBondContact O-N 2.97Å; A93-V96 PolarHBondContact O-N 3.38Å; A93-I97 WeakPolarHBondContact O-CB 3.48Å; A93-I97 WeakPolarHBondContact O-CD1 3.38Å; A93-I97 WeakPolarHBondContact O-CG1 3.32Å; A93-I97 PolarHBondContact O-N 2.85Å; A93-I146 HydrophobicContact CB-CG2 4.06Å; A93-D151 HydrophobicContact CB-CB 3.86Å
94	K	98.5	Very high	98	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.03	12%	0.119	C	C	.	.	H	α-helix	trans	-56.5	-45	176.4	-65.4	-172.9	-173.8	-176.1	0	112	M85 E86 L89 E90 I91 N92 L98 L605	M85-K94 HydrophobicContact CE-CB 4.41Å; M85-K94 HydrophobicContact SD-CB 3.98Å; M85-K94 HydrophobicContact SD-CG 4.1Å; E86-K94 WeakPolarHBondContact O-CE 2.99Å; L89-K94 HydrophobicContact CB-CD 4.38Å; L89-K94 HydrophobicContact CB-CG 3.77Å; L89-K94 HydrophobicContact CD1-CG 4.17Å; E90-K94 PolarHBondContact O-N 3.5Å; I91-K94 HydrophobicContact CD1-CD 4.36Å; I91-K94 PolarHBondContact O-N 2.86Å; N92-K94 VanDerWaalsContact C-N 3.35Å; N92-K94 PolarHBondContact O-N 3.23Å; K94-L98 WeakPolarHBondContact O-CG 3.35Å; K94-L98 PolarHBondContact O-N 3.27Å; K94-L605 HydrophobicContact CB-CB 4.23Å; K94-L605 HydrophobicContact CB-CD1 3.88Å; K94-L605 HydrophobicContact CD-CB 4.14Å; K94-L605 VanDerWaalsContact CD-O 3.31Å; K94-L605 WeakPolarHBondContact CD-O 3.41Å; K94-L605 PolarHBondContact NZ-O 2.83Å
95	G	98.1	Very high	98	Very high	4 Å²	4	24.2 Å²	24.2	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-42.1	176.8	0	0	0	0	0	113	I91 N92 A93 L98 K99	I91-G95 PolarHBondContact O-N 3.37Å; N92-G95 PolarHBondContact O-N 2.88Å; N92-G95 VanDerWaalsContact O-N 3.09Å; A93-G95 VanDerWaalsContact C-N 3.32Å; A93-G95 PolarHBondContact O-N 2.97Å; G95-L98 PolarHBondContact O-N 2.88Å; G95-K99 WeakPolarHBondContact O-CG 3.5Å; G95-K99 PolarHBondContact O-N 3.08Å; G95-K99 VanDerWaalsContact O-N 3.14Å
96	V	98.6	Very high	98	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-69.2	-35.3	179.1	-176.1	0	0	0	0	111.7	N92 A93 L98 K99 A100 I153 I156	N92-V96 WeakPolarHBondContact O-CG2 3.28Å; N92-V96 PolarHBondContact O-N 3.45Å; A93-V96 PolarHBondContact O-N 3.38Å; V96-L98 VanDerWaalsContact C-N 3.33Å; V96-L98 PolarHBondContact O-N 2.86Å; V96-K99 WeakPolarHBondContact O-CB 3.32Å; V96-K99 PolarHBondContact O-N 3.4Å; V96-K99 VanDerWaalsContact O-N 3.13Å; V96-A100 PolarHBondContact O-N 3.33Å; V96-I153 HydrophobicContact CG1-CB 3.92Å; V96-I153 HydrophobicContact CG1-CG1 4.48Å; V96-I156 HydrophobicContact CB-CD1 3.84Å; V96-I156 HydrophobicContact CG1-CD1 3.5Å
97	I	98.8	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-45.9	172.9	-71.7	158.8	0	0	0	110.8	M85 L89 A93 K99 A100 F101 I124 I146 I156	M85-I97 HydrophobicContact SD-CB 4.37Å; M85-I97 HydrophobicContact SD-CD1 4.38Å; M85-I97 HydrophobicContact SD-CG2 4.13Å; L89-I97 HydrophobicContact CD1-CD1 4.01Å; A93-I97 WeakPolarHBondContact O-CB 3.48Å; A93-I97 WeakPolarHBondContact O-CD1 3.38Å; A93-I97 WeakPolarHBondContact O-CG1 3.32Å; A93-I97 PolarHBondContact O-N 2.85Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 3.5Å; I97-A100 WeakPolarHBondContact O-CB 3.33Å; I97-A100 PolarHBondContact O-N 3.38Å; I97-F101 HydrophobicContact CG2-CD2 4.35Å; I97-F101 HydrophobicContact CG2-CE1 3.92Å; I97-F101 HydrophobicContact CG2-CE2 3.68Å; I97-F101 HydrophobicContact CG2-CZ 3.44Å; I97-F101 VanDerWaalsContact CG2-CZ 3.44Å; I97-F101 WeakPolarHBondContact O-CG 2.92Å; I97-F101 PolarHBondContact O-N 2.82Å; I97-I124 HydrophobicContact CD1-CD1 4.45Å; I97-I124 HydrophobicContact CD1-CG2 3.67Å; I97-I124 HydrophobicContact CG2-CD1 3.85Å; I97-I146 HydrophobicContact CD1-CG1 4.44Å; I97-I156 HydrophobicContact CG1-CD1 3.81Å; I97-I156 HydrophobicContact CG1-CG1 4.16Å; I97-I156 HydrophobicContact CG1-CG2 4.07Å
98	L	98.5	Very high	98.1	Very high	46 Å²	46	19.1 Å²	19.1	24%	0.241	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-34.4	177.4	-63.6	178.2	0	0	0	112.1	M85 K94 G95 V96 F101 E102 L605	M85-L98 HydrophobicContact CE-CD1 4.43Å; M85-L98 HydrophobicContact CE-CD2 4.16Å; M85-L98 HydrophobicContact CE-CG 4.33Å; K94-L98 WeakPolarHBondContact O-CG 3.35Å; K94-L98 PolarHBondContact O-N 3.27Å; G95-L98 PolarHBondContact O-N 2.88Å; V96-L98 VanDerWaalsContact C-N 3.33Å; V96-L98 PolarHBondContact O-N 2.86Å; L98-F101 HydrophobicContact CD2-CD2 4.03Å; L98-F101 HydrophobicContact CD2-CE2 4.32Å; L98-F101 PolarHBondContact O-N 3.4Å; L98-E102 PolarHBondContact O-N 2.83Å; L98-E102 VanDerWaalsContact O-N 3.17Å; L98-L605 HydrophobicContact CD1-CD1 4.24Å; L98-L605 HydrophobicContact CD1-CD2 3.89Å
99	K	98.2	Very high	98.1	Very high	33 Å²	33	16.7 Å²	16.7	14%	0.143	8%	0.083	C	C	.	.	H	α-helix	trans	-67.5	-40.1	173.2	-67.6	172.8	-171.6	-89.9	0	111.9	G95 V96 I97 F101 E102 Q103 I153 T511 E600	G95-K99 WeakPolarHBondContact O-CG 3.5Å; G95-K99 PolarHBondContact O-N 3.08Å; G95-K99 VanDerWaalsContact O-N 3.14Å; V96-K99 WeakPolarHBondContact O-CB 3.32Å; V96-K99 PolarHBondContact O-N 3.4Å; V96-K99 VanDerWaalsContact O-N 3.13Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 3.5Å; K99-F101 VanDerWaalsContact C-N 3.31Å; K99-F101 PolarHBondContact O-N 2.87Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 3.28Å; K99-E102 VanDerWaalsContact O-N 3.13Å; K99-Q103 PolarHBondContact O-N 2.87Å; K99-I153 HydrophobicContact CB-CD1 4.17Å; K99-T511 VanDerWaalsContact CE-OG1 3.31Å; K99-T511 WeakPolarHBondContact CE-OG1 3.41Å; K99-T511 PolarHBondContact NZ-OG1 3.14Å; K99-E600 IonicContact NZ-OE2 2.72Å; K99-E600 PolarHBondContact NZ-OE2 2.62Å
100	A	98.6	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-40.6	172.9	0	0	0	0	0	111.4	V96 I97 E102 Q103 Y104 I153 I156 E157	V96-A100 PolarHBondContact O-N 3.33Å; I97-A100 WeakPolarHBondContact O-CB 3.33Å; I97-A100 PolarHBondContact O-N 3.38Å; A100-E102 VanDerWaalsContact C-N 3.28Å; A100-E102 PolarHBondContact O-N 3.5Å; A100-Q103 PolarHBondContact O-N 3.3Å; A100-Y104 WeakPolarHBondContact O-CD2 3.26Å; A100-Y104 PolarHBondContact O-N 3.17Å; A100-I153 HydrophobicContact CB-CG1 4.04Å; A100-I156 HydrophobicContact CB-CB 4.2Å; A100-I156 HydrophobicContact CB-CG2 3.64Å; A100-E157 HydrophobicContact CB-CG 4.02Å
101	F	98.8	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-35.7	173.9	-63.5	-15.5	0	0	0	112.7	Y83 I97 L98 K99 Q103 Y104 R105 F112 I124 F160	Y83-F101 HydrophobicContact CD1-CD2 4.45Å; Y83-F101 AromaticContact CD1-CE2 3.63Å; Y83-F101 HydrophobicContact CD1-CE2 3.63Å; Y83-F101 HydrophobicContact CD1-CZ 4.11Å; Y83-F101 AromaticContact CD2-CE2 3.88Å; Y83-F101 HydrophobicContact CD2-CE2 3.88Å; Y83-F101 HydrophobicContact CD2-CZ 4.25Å; Y83-F101 HydrophobicContact CE1-CD2 4.1Å; Y83-F101 AromaticContact CE1-CE2 3.58Å; Y83-F101 HydrophobicContact CE1-CE2 3.58Å; Y83-F101 HydrophobicContact CE1-CZ 4.49Å; Y83-F101 AromaticContact CE2-CE2 3.84Å; Y83-F101 HydrophobicContact CE2-CE2 3.84Å; Y83-F101 AromaticContact CG-CE2 3.79Å; Y83-F101 HydrophobicContact CG-CE2 3.79Å; Y83-F101 AromaticContact CG-CZ 3.98Å; Y83-F101 HydrophobicContact CG-CZ 3.98Å; Y83-F101 AromaticContact CZ-CE2 3.7Å; I97-F101 HydrophobicContact CG2-CD2 4.35Å; I97-F101 HydrophobicContact CG2-CE1 3.92Å; I97-F101 HydrophobicContact CG2-CE2 3.68Å; I97-F101 HydrophobicContact CG2-CZ 3.44Å; I97-F101 VanDerWaalsContact CG2-CZ 3.44Å; I97-F101 WeakPolarHBondContact O-CG 2.92Å; I97-F101 PolarHBondContact O-N 2.82Å; L98-F101 HydrophobicContact CD2-CD2 4.03Å; L98-F101 HydrophobicContact CD2-CE2 4.32Å; L98-F101 PolarHBondContact O-N 3.4Å; K99-F101 VanDerWaalsContact C-N 3.31Å; K99-F101 PolarHBondContact O-N 2.87Å; F101-Q103 VanDerWaalsContact C-N 3.32Å; F101-Y104 PolarHBondContact O-N 3.09Å; F101-R105 WeakPolarHBondContact O-CB 2.77Å; F101-R105 WeakPolarHBondContact O-CD 3.33Å; F101-R105 WeakPolarHBondContact O-CG 3.49Å; F101-R105 PolarHBondContact O-N 3.04Å; F101-F112 HydrophobicContact CB-CB 4.3Å; F101-F112 HydrophobicContact CB-CD2 3.82Å; F101-F112 HydrophobicContact CB-CG 4.3Å; F101-F112 HydrophobicContact CD1-CB 4.04Å; F101-F112 AromaticContact CD1-CD1 3.89Å; F101-F112 HydrophobicContact CD1-CD1 3.89Å; F101-F112 AromaticContact CD1-CD2 3.34Å; F101-F112 HydrophobicContact CD1-CD2 3.34Å; F101-F112 HydrophobicContact CD1-CE1 4.2Å; F101-F112 AromaticContact CD1-CE2 3.67Å; F101-F112 HydrophobicContact CD1-CE2 3.67Å; F101-F112 AromaticContact CD1-CG 3.46Å; F101-F112 HydrophobicContact CD1-CG 3.46Å; F101-F112 VanDerWaalsContact CD1-CG 3.46Å; F101-F112 HydrophobicContact CD1-CZ 4.09Å; F101-F112 HydrophobicContact CD2-CB 3.64Å; F101-F112 HydrophobicContact CD2-CD2 4.38Å; F101-F112 HydrophobicContact CD2-CG 4.01Å; F101-F112 HydrophobicContact CE1-CB 4.24Å; F101-F112 AromaticContact CE1-CD1 3.59Å; F101-F112 HydrophobicContact CE1-CD1 3.59Å; F101-F112 AromaticContact CE1-CD2 3.94Å; F101-F112 HydrophobicContact CE1-CD2 3.94Å; F101-F112 AromaticContact CE1-CE1 3.87Å; F101-F112 HydrophobicContact CE1-CE1 3.87Å; F101-F112 HydrophobicContact CE1-CE2 4.18Å; F101-F112 AromaticContact CE1-CG 3.63Å; F101-F112 HydrophobicContact CE1-CG 3.63Å; F101-F112 HydrophobicContact CE1-CZ 4.15Å; F101-F112 HydrophobicContact CE2-CB 3.86Å; F101-F112 HydrophobicContact CE2-CD1 4.47Å; F101-F112 HydrophobicContact CE2-CG 4.16Å; F101-F112 HydrophobicContact CG-CB 3.74Å; F101-F112 HydrophobicContact CG-CD1 4.46Å; F101-F112 AromaticContact CG-CD2 3.59Å; F101-F112 HydrophobicContact CG-CD2 3.59Å; F101-F112 HydrophobicContact CG-CE2 4.34Å; F101-F112 AromaticContact CG-CG 3.66Å; F101-F112 HydrophobicContact CG-CG 3.66Å; F101-F112 HydrophobicContact CZ-CB 4.14Å; F101-F112 AromaticContact CZ-CD1 3.9Å; F101-F112 HydrophobicContact CZ-CD1 3.9Å; F101-F112 AromaticContact CZ-CG 3.98Å; F101-F112 HydrophobicContact CZ-CG 3.98Å; F101-I124 HydrophobicContact CZ-CD1 4.08Å; F101-F160 HydrophobicContact CE1-CD1 4.21Å; F101-F160 HydrophobicContact CE1-CD2 4.41Å; F101-F160 AromaticContact CE1-CE1 3.63Å; F101-F160 HydrophobicContact CE1-CE1 3.63Å; F101-F160 AromaticContact CE1-CE2 3.87Å; F101-F160 HydrophobicContact CE1-CE2 3.87Å; F101-F160 AromaticContact CE1-CZ 3.44Å; F101-F160 HydrophobicContact CE1-CZ 3.44Å; F101-F160 VanDerWaalsContact CE1-CZ 3.44Å; F101-F160 HydrophobicContact CZ-CE1 4.09Å; F101-F160 HydrophobicContact CZ-CE2 4.35Å; F101-F160 AromaticContact CZ-CZ 3.7Å; F101-F160 HydrophobicContact CZ-CZ 3.7Å
102	E	98	Very high	98.3	Very high	43 Å²	43	14.8 Å²	14.8	20%	0.201	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-33.9	173.2	-68.6	-61.8	131.9	0	0	112.5	L98 K99 A100 R105 L106 R342	L98-E102 PolarHBondContact O-N 2.83Å; L98-E102 VanDerWaalsContact O-N 3.17Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 3.28Å; K99-E102 VanDerWaalsContact O-N 3.13Å; A100-E102 VanDerWaalsContact C-N 3.28Å; A100-E102 PolarHBondContact O-N 3.5Å; E102-R105 PolarHBondContact O-N 3.09Å; E102-R105 WeakPolarHBondContact OE1-CD 3.47Å; E102-R105 IonicContact OE1-CZ 3.87Å; E102-R105 IonicContact OE1-NE 3.29Å; E102-R105 IonicContact OE1-NH1 2.57Å; E102-R105 PolarHBondContact OE1-NH1 3.38Å; E102-L106 VanDerWaalsContact O-CB 3.28Å; E102-L106 WeakPolarHBondContact O-CB 3.3Å; E102-L106 PolarHBondContact O-N 2.91Å; E102-R342 IonicContact OE1-CZ 3.35Å; E102-R342 IonicContact OE1-NH1 2.7Å; E102-R342 PolarHBondContact OE1-NH1 3.2Å; E102-R342 IonicContact OE1-NH2 3.13Å; E102-R342 PolarHBondContact OE1-NH2 3.42Å; E102-R342 IonicContact OE2-CZ 2.74Å; E102-R342 IonicContact OE2-NH1 3.87Å; E102-R342 PolarHBondContact OE2-NH1 3.47Å; E102-R342 IonicContact OE2-NH2 2.97Å
103	Q	98.3	Very high	98.2	Very high	29 Å²	29	17.7 Å²	17.7	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-42.7	174.4	-64	-55.1	-16.6	0	0	112.5	K99 A100 F101 R105 L106 K107 I153 E157 E246 F247	K99-Q103 PolarHBondContact O-N 2.87Å; A100-Q103 PolarHBondContact O-N 3.3Å; F101-Q103 VanDerWaalsContact C-N 3.32Å; Q103-R105 VanDerWaalsContact C-N 3.34Å; Q103-R105 PolarHBondContact O-N 2.68Å; Q103-L106 PolarHBondContact O-N 3.42Å; Q103-K107 WeakPolarHBondContact O-CB 2.97Å; Q103-K107 PolarHBondContact O-N 3.46Å; Q103-I153 HydrophobicContact CG-CD1 3.94Å; Q103-E157 WeakPolarHBondContact CB-OE1 3.44Å; Q103-E157 VanDerWaalsContact CG-OE1 3.3Å; Q103-E157 WeakPolarHBondContact CG-OE1 3.25Å; Q103-E246 WeakPolarHBondContact CG-OE1 3.4Å; Q103-E246 PolarHBondContact OE1-OE1 3.04Å; Q103-F247 HydrophobicContact CB-CE2 4.16Å
104	Y	98.6	Very high	98.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-56.9	-47.7	170.9	-85.7	-78.6	0	0	0	111.7	A100 F101 L106 K107 T108 I110 F112 E157 F160 L161 L164 F247 L255	A100-Y104 WeakPolarHBondContact O-CD2 3.26Å; A100-Y104 PolarHBondContact O-N 3.17Å; F101-Y104 PolarHBondContact O-N 3.09Å; Y104-L106 VanDerWaalsContact C-N 3.3Å; Y104-L106 PolarHBondContact O-N 3.27Å; Y104-K107 PolarHBondContact O-N 3.19Å; Y104-T108 HydrophobicContact CD1-CG2 4.46Å; Y104-T108 CarbonylContact O-C 3.27Å; Y104-T108 WeakPolarHBondContact O-CA 3.18Å; Y104-T108 WeakPolarHBondContact O-CB 3.39Å; Y104-T108 PolarHBondContact O-N 3.5Å; Y104-T108 PolarHBondContact O-OG1 3.38Å; Y104-I110 HydrophobicContact CD1-CB 4.31Å; Y104-I110 HydrophobicContact CD1-CG2 4.49Å; Y104-F112 HydrophobicContact CD1-CE2 4.3Å; Y104-F112 AromaticContact CD2-CE2 3.75Å; Y104-F112 HydrophobicContact CD2-CE2 3.75Å; Y104-F112 HydrophobicContact CD2-CZ 4.12Å; Y104-F112 HydrophobicContact CE2-CE2 4.49Å; Y104-F112 HydrophobicContact CE2-CZ 4.42Å; Y104-F112 AromaticContact CG-CE2 3.64Å; Y104-F112 HydrophobicContact CG-CE2 3.64Å; Y104-F112 HydrophobicContact CG-CZ 4.19Å; Y104-E157 HydrophobicContact CE2-CG 4.34Å; Y104-E157 PolarHBondContact OH-O 2.98Å; Y104-F160 HydrophobicContact CE2-CB 3.71Å; Y104-F160 HydrophobicContact CE2-CG 4.46Å; Y104-F160 VanDerWaalsContact OH-CB 3.3Å; Y104-F160 WeakPolarHBondContact OH-CB 3.44Å; Y104-L161 WeakPolarHBondContact OH-CG 3.18Å; Y104-L161 PolarHBondContact OH-N 3.02Å; Y104-L161 VanDerWaalsContact OH-N 3.1Å; Y104-L164 HydrophobicContact CD1-CD1 4.18Å; Y104-L164 HydrophobicContact CE1-CD1 3.39Å; Y104-F247 HydrophobicContact CD1-CZ 4.13Å; Y104-F247 HydrophobicContact CD2-CZ 4.01Å; Y104-F247 HydrophobicContact CE1-CE1 4.06Å; Y104-F247 AromaticContact CE1-CZ 3.73Å; Y104-F247 HydrophobicContact CE1-CZ 3.73Å; Y104-F247 HydrophobicContact CE2-CE1 4.39Å; Y104-F247 AromaticContact CE2-CZ 3.61Å; Y104-F247 HydrophobicContact CE2-CZ 3.61Å; Y104-F247 HydrophobicContact CG-CZ 4.25Å; Y104-F247 AromaticContact CZ-CE1 3.83Å; Y104-F247 AromaticContact CZ-CZ 3.45Å; Y104-F247 VanDerWaalsContact CZ-CZ 3.45Å; Y104-L255 HydrophobicContact CD1-CD2 4.13Å; Y104-L255 HydrophobicContact CE1-CD2 3.76Å
105	R	98.4	Very high	98.1	Very high	32 Å²	32	23.1 Å²	23.1	12%	0.121	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-37.5	177.3	-73.3	166.2	175.7	140.9	10.4	112.4	F101 E102 Q103 D111 F112 G264 S265 T266	F101-R105 WeakPolarHBondContact O-CB 2.77Å; F101-R105 WeakPolarHBondContact O-CD 3.33Å; F101-R105 WeakPolarHBondContact O-CG 3.49Å; F101-R105 PolarHBondContact O-N 3.04Å; E102-R105 PolarHBondContact O-N 3.09Å; E102-R105 WeakPolarHBondContact OE1-CD 3.47Å; E102-R105 IonicContact OE1-CZ 3.87Å; E102-R105 IonicContact OE1-NE 3.29Å; E102-R105 IonicContact OE1-NH1 2.57Å; E102-R105 PolarHBondContact OE1-NH1 3.38Å; Q103-R105 VanDerWaalsContact C-N 3.34Å; Q103-R105 PolarHBondContact O-N 2.68Å; R105-D111 IonicContact CZ-OD1 3.38Å; R105-D111 IonicContact NE-OD1 3.29Å; R105-D111 PolarHBondContact NE-OD1 3.32Å; R105-D111 IonicContact NH2-OD1 3.09Å; R105-D111 PolarHBondContact NH2-OD1 2.66Å; R105-D111 VanDerWaalsContact NH2-OD1 3.13Å; R105-F112 PolarHBondContact NH2-O 2.74Å; R105-G264 CarbonylContact O-C 3.46Å; R105-S265 WeakPolarHBondContact O-CA 3.35Å; R105-S265 PolarHBondContact O-N 3.35Å; R105-T266 VanDerWaalsContact C-OG1 3.25Å; R105-T266 HydrophobicContact CB-CG2 3.76Å; R105-T266 PolarHBondContact O-N 3.26Å; R105-T266 PolarHBondContact O-OG1 2.87Å
106	L	98.3	Very high	98	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.052	14%	0.14	C	C	.	.	H	α-helix	trans	-72.5	-39.8	-179.3	-179.8	62	0	0	0	111.7	E102 Q103 Y104 G264 T266 F267 I521 Q522	E102-L106 VanDerWaalsContact O-CB 3.28Å; E102-L106 WeakPolarHBondContact O-CB 3.3Å; E102-L106 PolarHBondContact O-N 2.91Å; Q103-L106 PolarHBondContact O-N 3.42Å; Y104-L106 VanDerWaalsContact C-N 3.3Å; Y104-L106 PolarHBondContact O-N 3.27Å; L106-G264 WeakPolarHBondContact O-CA 3.47Å; L106-T266 WeakPolarHBondContact CA-OG1 3.13Å; L106-T266 PolarHBondContact N-OG1 2.95Å; L106-F267 HydrophobicContact CD1-CB 4.31Å; L106-I521 HydrophobicContact CD1-CD1 4.43Å; L106-I521 HydrophobicContact CD1-CG2 4.42Å; L106-I521 HydrophobicContact CD2-CD1 4.02Å; L106-I521 HydrophobicContact CD2-CG1 4.15Å; L106-Q522 PolarHBondContact O-NE2 2.85Å
107	K	98.3	Very high	97.8	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-104.3	-12.1	-168	-67.1	171.8	164.1	-179.3	0	114.3	Q103 Y104 E246 F247 L252 N256 Q522 R524	Q103-K107 WeakPolarHBondContact O-CB 2.97Å; Q103-K107 PolarHBondContact O-N 3.46Å; Y104-K107 PolarHBondContact O-N 3.19Å; K107-E246 IonicContact NZ-OE1 3.01Å; K107-E246 PolarHBondContact NZ-OE1 3.02Å; K107-E246 IonicContact NZ-OE2 3.5Å; K107-E246 PolarHBondContact NZ-OE2 2.93Å; K107-F247 HydrophobicContact CD-CD2 4.11Å; K107-L252 HydrophobicContact CB-CD1 3.96Å; K107-L252 HydrophobicContact CB-CD2 3.63Å; K107-L252 HydrophobicContact CB-CG 4.45Å; K107-L252 HydrophobicContact CD-CD1 4Å; K107-L252 HydrophobicContact CD-CD2 4.34Å; K107-L252 HydrophobicContact CG-CD1 4.22Å; K107-N256 PolarHBondContact O-ND2 2.78Å; K107-Q522 WeakPolarHBondContact CE-O 3.2Å; K107-Q522 HydrophobicContact CG-CB 4.37Å; K107-R524 PolarHBondContact NZ-O 3.45Å
108	T	98.1	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-142.8	170	-174.6	82.1	0	0	0	0	111.4	Y104 I110 L252 L255 N256 G264 S265	Y104-T108 HydrophobicContact CD1-CG2 4.46Å; Y104-T108 CarbonylContact O-C 3.27Å; Y104-T108 WeakPolarHBondContact O-CA 3.18Å; Y104-T108 WeakPolarHBondContact O-CB 3.39Å; Y104-T108 PolarHBondContact O-N 3.5Å; Y104-T108 PolarHBondContact O-OG1 3.38Å; T108-I110 WeakPolarHBondContact OG1-CB 3.28Å; T108-I110 PolarHBondContact OG1-N 3.3Å; T108-L252 HydrophobicContact CG2-CD2 3.84Å; T108-L255 HydrophobicContact CG2-CD2 3.68Å; T108-L255 HydrophobicContact CG2-CG 4.37Å; T108-N256 WeakPolarHBondContact CA-OD1 3.45Å; T108-N256 WeakPolarHBondContact CB-OD1 3.42Å; T108-G264 CarbonylContact O-C 3.58Å; T108-G264 VanDerWaalsContact O-CA 3.27Å; T108-G264 WeakPolarHBondContact O-CA 3.44Å; T108-S265 PolarHBondContact O-N 2.8Å
109	C	97.1	Very high	97.6	Very high	29 Å²	29	36.9 Å²	36.9	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	-84	2.2	170	72.7	0	0	0	0	113.7	C261	C109-C261 HydrophobicContact CB-CB 3.57Å; C109-C261 WeakPolarHBondContact CB-SG 3.48Å; C109-C261 PolarHBondContact N-SG 3.09Å; C109-C261 WeakPolarHBondContact SG-CA 3.4Å; C109-C261 WeakPolarHBondContact SG-CB 3.43Å; C109-C261 CovalentContact SG-SG 2.04Å; C109-C261 PolarHBondContact SG-SG 2.89Å
110	I	98.2	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.			trans	-75.3	133.3	175.8	-52.6	-57.7	0	0	0	109.2	T79 V81 Y104 T108 F112 L164 L255 Y259	T79-I110 CarbonylContact O-C 3.54Å; T79-I110 WeakPolarHBondContact O-CA 3.45Å; V81-I110 HydrophobicContact CG2-CG2 4.07Å; Y104-I110 HydrophobicContact CD1-CB 4.31Å; Y104-I110 HydrophobicContact CD1-CG2 4.49Å; T108-I110 WeakPolarHBondContact OG1-CB 3.28Å; T108-I110 PolarHBondContact OG1-N 3.3Å; I110-F112 HydrophobicContact CG2-CE2 3.91Å; I110-F112 HydrophobicContact CG2-CZ 3.88Å; I110-L164 HydrophobicContact CG2-CD1 4.38Å; I110-L164 HydrophobicContact CG2-CD2 4.18Å; I110-L255 HydrophobicContact CG1-CD1 4.35Å; I110-Y259 HydrophobicContact CD1-CD1 3.35Å; I110-Y259 HydrophobicContact CD1-CD2 4.11Å; I110-Y259 HydrophobicContact CD1-CE1 3.68Å; I110-Y259 HydrophobicContact CD1-CE2 4.43Å; I110-Y259 HydrophobicContact CD1-CG 3.56Å
111	D	97.8	Very high	97.5	Very high	48 Å²	48	37.5 Å²	37.5	26%	0.257	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162.5	176.7	-164.8	3.9	0	0	0	109.4	T79 T80 V81 R105	T79-D111 PolarHBondContact O-N 3.02Å; T80-D111 CarbonylContact C-O 3.54Å; T80-D111 VanDerWaalsContact CA-O 3.3Å; T80-D111 WeakPolarHBondContact CA-O 3.14Å; T80-D111 HydrophobicContact CG2-CB 4.28Å; V81-D111 PolarHBondContact N-O 2.03Å; R105-D111 IonicContact CZ-OD1 3.38Å; R105-D111 IonicContact NE-OD1 3.29Å; R105-D111 PolarHBondContact NE-OD1 3.32Å; R105-D111 IonicContact NH2-OD1 3.09Å; R105-D111 PolarHBondContact NH2-OD1 2.66Å; R105-D111 VanDerWaalsContact NH2-OD1 3.13Å
112	F	98.3	Very high	97.5	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.8	-178.2	-65.3	-86	0	0	0	109.4	V81 Y83 F101 Y104 R105 I110 F160	V81-F112 HydrophobicContact CB-CD1 3.74Å; V81-F112 HydrophobicContact CB-CE1 3.76Å; V81-F112 HydrophobicContact CG1-CD1 4.3Å; V81-F112 HydrophobicContact CG1-CE1 4.17Å; V81-F112 HydrophobicContact CG2-CD1 4.42Å; V81-F112 HydrophobicContact CG2-CE1 4.03Å; V81-F112 WeakPolarHBondContact O-CA 3.02Å; Y83-F112 HydrophobicContact CD1-CB 3.8Å; Y83-F112 HydrophobicContact CE1-CB 4Å; F101-F112 HydrophobicContact CB-CB 4.3Å; F101-F112 HydrophobicContact CB-CD2 3.82Å; F101-F112 HydrophobicContact CB-CG 4.3Å; F101-F112 HydrophobicContact CD1-CB 4.04Å; F101-F112 AromaticContact CD1-CD1 3.89Å; F101-F112 HydrophobicContact CD1-CD1 3.89Å; F101-F112 AromaticContact CD1-CD2 3.34Å; F101-F112 HydrophobicContact CD1-CD2 3.34Å; F101-F112 HydrophobicContact CD1-CE1 4.2Å; F101-F112 AromaticContact CD1-CE2 3.67Å; F101-F112 HydrophobicContact CD1-CE2 3.67Å; F101-F112 AromaticContact CD1-CG 3.46Å; F101-F112 HydrophobicContact CD1-CG 3.46Å; F101-F112 VanDerWaalsContact CD1-CG 3.46Å; F101-F112 HydrophobicContact CD1-CZ 4.09Å; F101-F112 HydrophobicContact CD2-CB 3.64Å; F101-F112 HydrophobicContact CD2-CD2 4.38Å; F101-F112 HydrophobicContact CD2-CG 4.01Å; F101-F112 HydrophobicContact CE1-CB 4.24Å; F101-F112 AromaticContact CE1-CD1 3.59Å; F101-F112 HydrophobicContact CE1-CD1 3.59Å; F101-F112 AromaticContact CE1-CD2 3.94Å; F101-F112 HydrophobicContact CE1-CD2 3.94Å; F101-F112 AromaticContact CE1-CE1 3.87Å; F101-F112 HydrophobicContact CE1-CE1 3.87Å; F101-F112 HydrophobicContact CE1-CE2 4.18Å; F101-F112 AromaticContact CE1-CG 3.63Å; F101-F112 HydrophobicContact CE1-CG 3.63Å; F101-F112 HydrophobicContact CE1-CZ 4.15Å; F101-F112 HydrophobicContact CE2-CB 3.86Å; F101-F112 HydrophobicContact CE2-CD1 4.47Å; F101-F112 HydrophobicContact CE2-CG 4.16Å; F101-F112 HydrophobicContact CG-CB 3.74Å; F101-F112 HydrophobicContact CG-CD1 4.46Å; F101-F112 AromaticContact CG-CD2 3.59Å; F101-F112 HydrophobicContact CG-CD2 3.59Å; F101-F112 HydrophobicContact CG-CE2 4.34Å; F101-F112 AromaticContact CG-CG 3.66Å; F101-F112 HydrophobicContact CG-CG 3.66Å; F101-F112 HydrophobicContact CZ-CB 4.14Å; F101-F112 AromaticContact CZ-CD1 3.9Å; F101-F112 HydrophobicContact CZ-CD1 3.9Å; F101-F112 AromaticContact CZ-CG 3.98Å; F101-F112 HydrophobicContact CZ-CG 3.98Å; Y104-F112 HydrophobicContact CD1-CE2 4.3Å; Y104-F112 AromaticContact CD2-CE2 3.75Å; Y104-F112 HydrophobicContact CD2-CE2 3.75Å; Y104-F112 HydrophobicContact CD2-CZ 4.12Å; Y104-F112 HydrophobicContact CE2-CE2 4.49Å; Y104-F112 HydrophobicContact CE2-CZ 4.42Å; Y104-F112 AromaticContact CG-CE2 3.64Å; Y104-F112 HydrophobicContact CG-CE2 3.64Å; Y104-F112 HydrophobicContact CG-CZ 4.19Å; R105-F112 PolarHBondContact NH2-O 2.74Å; I110-F112 HydrophobicContact CG2-CE2 3.91Å; I110-F112 HydrophobicContact CG2-CZ 3.88Å; F112-F160 HydrophobicContact CD1-CD1 4.4Å; F112-F160 HydrophobicContact CD1-CE1 4Å; F112-F160 AromaticContact CE1-CD1 3.4Å; F112-F160 HydrophobicContact CE1-CD1 3.4Å; F112-F160 AromaticContact CE1-CE1 3.4Å; F112-F160 HydrophobicContact CE1-CE1 3.4Å; F112-F160 VanDerWaalsContact CE1-CE1 3.4Å; F112-F160 AromaticContact CZ-CD1 3.68Å; F112-F160 HydrophobicContact CZ-CD1 3.68Å; F112-F160 HydrophobicContact CZ-CE1 4.11Å; F112-F160 HydrophobicContact CZ-CG 4.49Å
113	K	97.2	Very high	97.5	Very high	77 Å²	77	35.6 Å²	35.6	34%	0.335	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148	175.1	70.3	176.6	-175.3	147.2	0	111.3	T80 V81 P82 Y83 W115 E118	T80-K113 HydrophobicContact CG2-CB 4.04Å; T80-K113 HydrophobicContact CG2-CD 3.74Å; T80-K113 HydrophobicContact CG2-CG 3.78Å; V81-K113 PolarHBondContact O-N 2.03Å; P82-K113 CarbonylContact C-O 3.16Å; P82-K113 WeakPolarHBondContact CA-O 3Å; Y83-K113 WeakPolarHBondContact CD1-O 3.22Å; Y83-K113 PolarHBondContact N-O 3.41Å; K113-W115 PolarHBondContact O-N 3.19Å; K113-E118 WeakPolarHBondContact CE-OE1 3.21Å; K113-E118 IonicContact NZ-OE1 2.7Å; K113-E118 PolarHBondContact NZ-OE1 2.87Å
114	P	97.4	Very high	97.6	Very high	74 Å²	74	34.2 Å²	34.2	48%	0.481	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	135.9	170.9	-25.5	34.5	0	0	0	110.9	Y83 S116	Y83-P114 HydrophobicContact CE1-CG 4.36Å; Y83-P114 CarbonylContact O-C 3.49Å; Y83-P114 WeakPolarHBondContact O-CA 3.26Å; P114-S116 PolarHBondContact O-N 3Å
115	W	97.3	Very high	97.5	Very high	50 Å²	50	34.9 Å²	34.9	19%	0.189	19%	0.191	C	C	.	.			trans	-60.8	129.1	178.7	173.4	61.8	0	0	0	110.4	P82 Y83 Y84 K113 E118 Y121 V611 P612	P82-W115 HydrophobicContact CB-CB 4.44Å; Y83-W115 WeakPolarHBondContact O-CB 3.48Å; Y83-W115 PolarHBondContact O-N 3.02Å; Y84-W115 HydrophobicContact CD2-CE3 4.04Å; K113-W115 PolarHBondContact O-N 3.19Å; W115-E118 PolarHBondContact NE1-O 3.25Å; W115-Y121 HydrophobicContact CB-CD2 4.13Å; W115-Y121 HydrophobicContact CB-CG 4.27Å; W115-Y121 AromaticContact CD1-CD1 3.75Å; W115-Y121 AromaticContact CD1-CG 3.59Å; W115-Y121 HydrophobicContact CD2-CD1 4.07Å; W115-Y121 HydrophobicContact CD2-CD2 4.1Å; W115-Y121 HydrophobicContact CD2-CE1 4.11Å; W115-Y121 HydrophobicContact CD2-CE2 4.12Å; W115-Y121 HydrophobicContact CD2-CG 4.06Å; W115-Y121 AromaticContact CE2-CD1 3.71Å; W115-Y121 AromaticContact CE2-CE1 3.72Å; W115-Y121 HydrophobicContact CE3-CE2 4.16Å; W115-Y121 HydrophobicContact CG-CD1 4.11Å; W115-Y121 AromaticContact CG-CD2 3.9Å; W115-Y121 HydrophobicContact CG-CD2 3.9Å; W115-Y121 HydrophobicContact CG-CE2 4.39Å; W115-Y121 AromaticContact CG-CG 3.73Å; W115-Y121 HydrophobicContact CG-CG 3.73Å; W115-Y121 HydrophobicContact CH2-CE1 4.31Å; W115-Y121 HydrophobicContact CZ2-CD1 4.26Å; W115-Y121 AromaticContact CZ2-CE1 3.85Å; W115-Y121 HydrophobicContact CZ2-CE1 3.85Å; W115-Y121 AromaticContact NE1-CD1 3.47Å; W115-Y121 AromaticContact NE1-CE1 3.97Å; W115-Y121 AromaticContact NE1-CG 3.84Å; W115-V611 HydrophobicContact CZ3-CG1 4.19Å; W115-P612 HydrophobicContact CD2-CG 4.08Å; W115-P612 HydrophobicContact CE3-CG 3.96Å; W115-P612 HydrophobicContact CH2-CG 4.2Å; W115-P612 HydrophobicContact CZ2-CG 4.3Å; W115-P612 VanDerWaalsContact CZ3-CD 3.45Å; W115-P612 HydrophobicContact CZ3-CG 4.03Å
116	S	95.2	Very high	97.5	Very high	78 Å²	78	36.9 Å²	36.9	55%	0.545	20%	0.201	S	C	.	.	S	Bend	trans	-126.4	15.3	-172.9	66.4	0	0	0	0	113.1	P114 E118	P114-S116 PolarHBondContact O-N 3Å; S116-E118 PolarHBondContact N-OE2 3.38Å; S116-E118 PolarHBondContact OG-OE1 3.02Å
117	G	93.8	Very high	97.5	Very high	49 Å²	49	37 Å²	37	51%	0.505	20%	0.203	S	C	.	.	S	Bend	trans	111.4	13.3	178.3	0	0	0	0	0	114	P612	G117-P612 VanDerWaalsContact N-CG 3.32Å
118	E	97	Very high	97.3	Very high	45 Å²	45	42.6 Å²	42.6	21%	0.21	23%	0.234	C	C	.	.			trans	-59	146.1	170.7	-61.7	81.4	-179.3	0	0	110.8	P82 K113 W115 S116 N120	P82-E118 HydrophobicContact CB-CB 4.24Å; P82-E118 HydrophobicContact CB-CG 4.15Å; P82-E118 HydrophobicContact CG-CB 3.78Å; P82-E118 HydrophobicContact CG-CG 3.57Å; K113-E118 WeakPolarHBondContact CE-OE1 3.21Å; K113-E118 IonicContact NZ-OE1 2.7Å; K113-E118 PolarHBondContact NZ-OE1 2.87Å; W115-E118 PolarHBondContact NE1-O 3.25Å; S116-E118 PolarHBondContact N-OE2 3.38Å; S116-E118 PolarHBondContact OG-OE1 3.02Å; E118-N120 VanDerWaalsContact C-N 3.29Å; E118-N120 PolarHBondContact O-N 3.09Å
119	E	96.3	Very high	97.2	Very high	169 Å²	169	42.8 Å²	42.8	79%	0.79	24%	0.236	S	C	*	.	S	Bend	trans	-57.4	-43.5	-177.5	-176.6	177.6	-168.5	0	0	111.8	G140	E119-G140 WeakPolarHBondContact O-CA 3.23Å
120	N	97.4	Very high	97.2	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.118	23%	0.227	C	C	.	.	S	Bend	trans	-120.6	139	179.8	-59.6	-70.7	0	0	0	110	W77 E118 K138 V139 G140	W77-N120 HydrophobicContact CH2-CB 4.05Å; W77-N120 HydrophobicContact CZ3-CB 3.86Å; E118-N120 VanDerWaalsContact C-N 3.29Å; E118-N120 PolarHBondContact O-N 3.09Å; N120-K138 WeakPolarHBondContact OD1-CA 3.42Å; N120-V139 PolarHBondContact OD1-N 2.77Å; N120-G140 WeakPolarHBondContact CA-O 3.39Å; N120-G140 WeakPolarHBondContact OD1-CA 3.47Å; N120-G140 PolarHBondContact OD1-N 2.87Å
121	Y	98.4	Very high	97.2	Very high	23 Å²	23	42.9 Å²	42.9	9%	0.09	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160	178.3	69.8	-77.9	0	0	0	111.1	P82 Y84 W115 G140 K141 Q142	P82-Y121 WeakPolarHBondContact O-CA 3.15Å; P82-Y121 WeakPolarHBondContact O-CB 2.99Å; Y84-Y121 HydrophobicContact CG-CE2 4.48Å; W115-Y121 HydrophobicContact CB-CD2 4.13Å; W115-Y121 HydrophobicContact CB-CG 4.27Å; W115-Y121 AromaticContact CD1-CD1 3.75Å; W115-Y121 AromaticContact CD1-CG 3.59Å; W115-Y121 HydrophobicContact CD2-CD1 4.07Å; W115-Y121 HydrophobicContact CD2-CD2 4.1Å; W115-Y121 HydrophobicContact CD2-CE1 4.11Å; W115-Y121 HydrophobicContact CD2-CE2 4.12Å; W115-Y121 HydrophobicContact CD2-CG 4.06Å; W115-Y121 AromaticContact CE2-CD1 3.71Å; W115-Y121 AromaticContact CE2-CE1 3.72Å; W115-Y121 HydrophobicContact CE3-CE2 4.16Å; W115-Y121 HydrophobicContact CG-CD1 4.11Å; W115-Y121 AromaticContact CG-CD2 3.9Å; W115-Y121 HydrophobicContact CG-CD2 3.9Å; W115-Y121 HydrophobicContact CG-CE2 4.39Å; W115-Y121 AromaticContact CG-CG 3.73Å; W115-Y121 HydrophobicContact CG-CG 3.73Å; W115-Y121 HydrophobicContact CH2-CE1 4.31Å; W115-Y121 HydrophobicContact CZ2-CD1 4.26Å; W115-Y121 AromaticContact CZ2-CE1 3.85Å; W115-Y121 HydrophobicContact CZ2-CE1 3.85Å; W115-Y121 AromaticContact NE1-CD1 3.47Å; W115-Y121 AromaticContact NE1-CE1 3.97Å; W115-Y121 AromaticContact NE1-CG 3.84Å; Y121-G140 PolarHBondContact N-O 3.3Å; Y121-K141 HydrophobicContact CE1-CB 3.85Å; Y121-K141 HydrophobicContact CE1-CG 4.31Å; Y121-K141 HydrophobicContact CE2-CG 4.17Å; Y121-K141 WeakPolarHBondContact OH-CD 3.39Å; Y121-K141 WeakPolarHBondContact OH-CG 3.5Å; Y121-Q142 PolarHBondContact O-N 3.24Å
122	I	98.7	Very high	97.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.6	174.3	-59.9	178.4	0	0	0	109	W77 V81 P82 Y83 Y84 I124 Q142 L144 F160 A163	W77-I122 HydrophobicContact CH2-CG1 3.94Å; W77-I122 HydrophobicContact CZ2-CD1 4.25Å; W77-I122 HydrophobicContact CZ2-CG1 3.64Å; V81-I122 HydrophobicContact CG1-CD1 3.67Å; V81-I122 HydrophobicContact CG1-CG1 4.07Å; P82-I122 PolarHBondContact O-N 3.22Å; Y83-I122 CarbonylContact C-O 3.52Å; Y83-I122 VanDerWaalsContact CA-O 3.24Å; Y83-I122 WeakPolarHBondContact CA-O 2.82Å; Y84-I122 PolarHBondContact N-O 3.17Å; I122-I124 HydrophobicContact CG2-CG1 3.98Å; I122-Q142 CarbonylContact C-O 3.52Å; I122-Q142 WeakPolarHBondContact CA-O 3.25Å; I122-L144 HydrophobicContact CG2-CB 3.72Å; I122-L144 HydrophobicContact CG2-CD1 4.07Å; I122-F160 HydrophobicContact CD1-CD1 4.17Å; I122-F160 HydrophobicContact CD1-CE1 3.81Å; I122-F160 HydrophobicContact CG2-CE1 4.37Å; I122-F160 HydrophobicContact CG2-CZ 4.33Å; I122-A163 HydrophobicContact CD1-CB 3.73Å
123	S	98.4	Very high	97	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.7	171.3	163	0	0	0	0	109	Y84 E86 K141 Q142 R143 L144	Y84-S123 WeakPolarHBondContact O-CA 3.19Å; E86-S123 PolarHBondContact OE1-OG 3.32Å; S123-K141 WeakPolarHBondContact OG-CE 3.47Å; S123-Q142 PolarHBondContact N-O 3.37Å; S123-R143 CarbonylContact O-C 3.53Å; S123-R143 WeakPolarHBondContact O-CA 3.48Å; S123-L144 PolarHBondContact O-N 2.55Å
124	I	98.8	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.2	-176.8	-44.7	162.3	0	0	0	107.4	Y83 Y84 M85 E86 L89 I97 F101 I122 L144 I146 F160	Y83-I124 HydrophobicContact CD2-CD1 4.22Å; Y84-I124 PolarHBondContact O-N 3.09Å; M85-I124 HydrophobicContact CG-CD1 4.09Å; E86-I124 WeakPolarHBondContact CB-O 2.97Å; E86-I124 WeakPolarHBondContact CG-O 3.2Å; E86-I124 PolarHBondContact N-O 2.93Å; L89-I124 HydrophobicContact CD1-CB 4.14Å; L89-I124 HydrophobicContact CD1-CG2 3.99Å; L89-I124 VanDerWaalsContact CD1-O 3.31Å; L89-I124 WeakPolarHBondContact CD1-O 3.42Å; L89-I124 HydrophobicContact CD2-CG2 4.3Å; I97-I124 HydrophobicContact CD1-CD1 4.45Å; I97-I124 HydrophobicContact CD1-CG2 3.67Å; I97-I124 HydrophobicContact CG2-CD1 3.85Å; F101-I124 HydrophobicContact CZ-CD1 4.08Å; I122-I124 HydrophobicContact CG2-CG1 3.98Å; I124-L144 WeakPolarHBondContact CA-O 3.44Å; I124-L144 HydrophobicContact CG2-CD2 4.14Å; I124-I146 HydrophobicContact CG2-CB 4.42Å; I124-I146 HydrophobicContact CG2-CG1 3.81Å; I124-F160 HydrophobicContact CD1-CE2 4.2Å; I124-F160 HydrophobicContact CD1-CZ 3.67Å; I124-F160 HydrophobicContact CG1-CZ 4.07Å
125	F	98.3	Very high	96.6	Very high	15 Å²	15	34 Å²	34	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.5	-172.2	80.5	-75.7	0	0	0	111.3	E86 L89 G127 F131 R143 L144 S145 I146	E86-F125 HydrophobicContact CB-CB 3.93Å; E86-F125 HydrophobicContact CG-CB 3.65Å; L89-F125 VanDerWaalsContact CD2-C 3.48Å; F125-G127 PolarHBondContact O-N 2.67Å; F125-F131 HydrophobicContact CZ-CE2 4.35Å; F125-F131 HydrophobicContact CZ-CZ 4.06Å; F125-R143 HydrophobicContact CD1-CB 4.13Å; F125-R143 HydrophobicContact CE1-CB 3.78Å; F125-R143 HydrophobicContact CE1-CG 4.48Å; F125-L144 VanDerWaalsContact CD1-O 3.31Å; F125-L144 WeakPolarHBondContact CD1-O 3.46Å; F125-L144 PolarHBondContact N-O 3Å; F125-L144 VanDerWaalsContact N-O 3.09Å; F125-S145 WeakPolarHBondContact O-CA 3.47Å; F125-I146 PolarHBondContact O-N 2.91Å
126	K	98.2	Very high	96.4	Very high	74 Å²	74	32 Å²	32	32%	0.322	18%	0.18	S	C	.	.			trans	-84.8	91.9	174.2	-173.7	176.9	174.8	168.8	0	110.9	D88 L89 E90 T148	D88-K126 HydrophobicContact CB-CB 4.21Å; D88-K126 VanDerWaalsContact O-CB 3.26Å; D88-K126 WeakPolarHBondContact O-CB 3.1Å; D88-K126 VanDerWaalsContact O-CD 3.3Å; D88-K126 WeakPolarHBondContact O-CD 3.17Å; D88-K126 PolarHBondContact OD1-N 3.16Å; D88-K126 PolarHBondContact OD2-N 3.16Å; L89-K126 HydrophobicContact CD2-CB 4.47Å; E90-K126 HydrophobicContact CG-CD 4.24Å; E90-K126 WeakPolarHBondContact OE1-CE 3.41Å; E90-K126 IonicContact OE1-NZ 3.97Å; E90-K126 PolarHBondContact OE1-NZ 3.46Å; K126-T148 VanDerWaalsContact CE-OG1 3.27Å; K126-T148 WeakPolarHBondContact CE-OG1 3.25Å; K126-T148 PolarHBondContact NZ-OG1 2.91Å
127	G	96.5	Very high	96.2	Very high	11 Å²	11	29.7 Å²	29.7	11%	0.113	16%	0.159	C	C	.	.			trans	-92.1	-174.4	170.4	0	0	0	0	0	113.5	F125 G129 S145 G147	F125-G127 PolarHBondContact O-N 2.67Å; G127-G129 PolarHBondContact O-N 3.03Å; G127-S145 WeakPolarHBondContact CA-OG 3.33Å; G127-S145 PolarHBondContact N-OG 3.34Å; G127-S145 VanDerWaalsContact N-OG 3.15Å; G127-G147 WeakPolarHBondContact O-CA 3.43Å
128	N	94.6	Very high	96.2	Very high	124 Å²	124	32.9 Å²	32.9	66%	0.663	16%	0.159	S	C	*	.	S	Bend	trans	-85.4	94.3	171.7	-70.2	-10.9	0	0	0	108.1	A50 L52	A50-N128 HydrophobicContact CB-CB 4.31Å; L52-N128 WeakPolarHBondContact CD1-O 2.99Å
129	G	96.3	Very high	96	Very high	5 Å²	5	34.7 Å²	34.7	5%	0.052	17%	0.173	C	C	.	.	S	Bend	trans	100.2	-174.8	-177.6	0	0	0	0	0	114.7	N47 G127 S145 G147	N47-G129 WeakPolarHBondContact OD1-CA 3.37Å; G127-G129 PolarHBondContact O-N 3.03Å; G129-S145 WeakPolarHBondContact O-CB 3.31Å; G129-S145 PolarHBondContact O-OG 3.29Å; G129-G147 WeakPolarHBondContact O-CA 3.2Å; G129-G147 PolarHBondContact O-N 3.01Å
130	C	97.8	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.6	-178.7	-20.4	0	0	0	0	108.1	I43 N47 D58 S145 C150 T155 E159	I43-C130 HydrophobicContact CG2-CB 4Å; N47-C130 PolarHBondContact ND2-O 3.35Å; N47-C130 PolarHBondContact OD1-N 3.33Å; N47-C130 PolarHBondContact OD1-O 3.43Å; D58-C130 WeakPolarHBondContact CB-O 3.4Å; C130-S145 WeakPolarHBondContact CA-O 3.36Å; C130-C150 WeakPolarHBondContact CA-SG 2.99Å; C130-C150 HydrophobicContact CB-CB 3.73Å; C130-C150 WeakPolarHBondContact CB-SG 3.33Å; C130-C150 PolarHBondContact N-SG 2.86Å; C130-C150 WeakPolarHBondContact SG-CB 3.43Å; C130-C150 CovalentContact SG-SG 2.02Å; C130-C150 PolarHBondContact SG-SG 2.04Å; C130-T155 HydrophobicContact CB-CG2 3.85Å; C130-E159 VanDerWaalsContact C-OE1 3.24Å; C130-E159 HydrophobicContact CB-CG 4.37Å; C130-E159 WeakPolarHBondContact CB-OE1 3.37Å
131	F	98.1	Very high	95.9	Very high	30 Å²	30	31 Å²	31	13%	0.132	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	158.9	-178.6	56.5	-101.7	0	0	0	113	L52 L54 D58 V60 F125 S145 E159	L52-F131 HydrophobicContact CD1-CD1 3.84Å; L52-F131 HydrophobicContact CD1-CE1 3.99Å; L54-F131 HydrophobicContact CD1-CB 3.47Å; L54-F131 VanDerWaalsContact CD1-CB 3.47Å; L54-F131 HydrophobicContact CD1-CD1 3.78Å; L54-F131 HydrophobicContact CD1-CD2 4.46Å; L54-F131 HydrophobicContact CD1-CG 3.68Å; D58-F131 HydrophobicContact CB-CB 4.28Å; D58-F131 WeakPolarHBondContact O-CA 3.43Å; D58-F131 WeakPolarHBondContact O-CB 3.27Å; V60-F131 HydrophobicContact CG2-CB 4.33Å; V60-F131 HydrophobicContact CG2-CD2 3.33Å; V60-F131 HydrophobicContact CG2-CE2 3.83Å; V60-F131 HydrophobicContact CG2-CG 4.08Å; F125-F131 HydrophobicContact CZ-CE2 4.35Å; F125-F131 HydrophobicContact CZ-CZ 4.06Å; F131-S145 VanDerWaalsContact CE1-CB 3.41Å; F131-S145 VanDerWaalsContact CZ-CB 3.44Å; F131-S145 PolarHBondContact N-O 3.41Å; F131-S145 PolarHBondContact O-N 2.88Å; F131-E159 WeakPolarHBondContact CA-OE2 3.33Å; F131-E159 PolarHBondContact N-OE1 2.8Å; F131-E159 PolarHBondContact N-OE2 2.94Å
132	S	97.3	Very high	95.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-149.4	160.7	-178.3	-169.1	0	0	0	0	111.3	D58 I59 V60 E159	D58-S132 PolarHBondContact O-N 3.42Å; I59-S132 WeakPolarHBondContact CA-O 3.35Å; V60-S132 PolarHBondContact N-O 3.19Å; S132-E159 VanDerWaalsContact CB-O 3.25Å; S132-E159 WeakPolarHBondContact CB-O 3.49Å; S132-E159 VanDerWaalsContact CB-OE2 3.28Å; S132-E159 WeakPolarHBondContact CB-OE2 3.44Å; S132-E159 PolarHBondContact N-OE2 3.07Å; S132-E159 PolarHBondContact OG-O 2.71Å
133	S	94.6	Very high	95.8	Very high	15 Å²	15	36.7 Å²	36.7	11%	0.105	18%	0.18	C	C	.	.			trans	-85.9	146.6	165.1	-66	0	0	0	0	109.7	V60 G135 H162 A163	V60-S133 PolarHBondContact O-OG 3.24Å; S133-G135 PolarHBondContact O-N 2.71Å; S133-H162 CarbonylContact O-C 3.57Å; S133-A163 WeakPolarHBondContact O-CA 3.2Å; S133-A163 PolarHBondContact O-N 3.16Å
134	V	92	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-75.5	125.2	174.4	-164.6	0	0	0	0	110.2	I59 I70 R137 H162 G165 W167	I59-V134 HydrophobicContact CB-CG2 4.46Å; I59-V134 HydrophobicContact CD1-CG2 3.88Å; I59-V134 HydrophobicContact CG1-CG2 4.08Å; I59-V134 HydrophobicContact CG2-CG2 3.59Å; I70-V134 HydrophobicContact CD1-CB 3.7Å; I70-V134 HydrophobicContact CD1-CG1 3.81Å; I70-V134 WeakPolarHBondContact CD1-O 3.33Å; V134-R137 WeakPolarHBondContact O-CD 3.44Å; V134-R137 PolarHBondContact O-NH1 3.13Å; V134-H162 CarbonylContact C-O 3.58Å; V134-H162 WeakPolarHBondContact CA-O 3.2Å; V134-G165 VanDerWaalsContact CG1-C 3.41Å; V134-W167 HydrophobicContact CG1-CG 4.48Å; V134-W167 HydrophobicContact CG2-CD2 4.19Å; V134-W167 HydrophobicContact CG2-CE3 4.45Å; V134-W167 HydrophobicContact CG2-CZ2 4.34Å
135	G	93	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	71.1	177.3	178	0	0	0	0	0	115.6	S133 R137 Q142 H162 A163	S133-G135 PolarHBondContact O-N 2.71Å; G135-R137 PolarHBondContact O-N 3.34Å; G135-Q142 PolarHBondContact O-NE2 3.25Å; G135-Q142 PolarHBondContact O-OE1 3.21Å; G135-H162 PolarHBondContact N-O 3.06Å; G135-A163 CarbonylContact C-O 3.5Å; G135-A163 WeakPolarHBondContact CA-O 3.48Å; G135-A163 PolarHBondContact N-O 2.86Å
136	N	94.4	Very high	95.8	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	18%	0.177	C	C	.	.			trans	-74.4	107.7	171.2	-175.8	-4.8	0	0	0	110.2	Y75 W77 K138	Y75-N136 WeakPolarHBondContact O-CB 3.37Å; Y75-N136 PolarHBondContact O-N 2.76Å; W77-N136 HydrophobicContact CD2-CB 3.72Å; W77-N136 HydrophobicContact CE3-CB 4.41Å; W77-N136 HydrophobicContact CG-CB 3.86Å; W77-N136 HydrophobicContact CZ2-CB 4.05Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 3.42Å; N136-K138 PolarHBondContact OD1-N 3.39Å
137	R	91.4	Very high	95.8	Very high	30 Å²	30	32.7 Å²	32.7	11%	0.113	16%	0.163	C	C	.	.			trans	-78.1	-9.6	-177.9	-55	-46.3	-54.4	163.5	3.9	113.6	Q65 V134 G135 V139	Q65-R137 VanDerWaalsContact CG-NH2 3.26Å; V134-R137 WeakPolarHBondContact O-CD 3.44Å; V134-R137 PolarHBondContact O-NH1 3.13Å; G135-R137 PolarHBondContact O-N 3.34Å; R137-V139 VanDerWaalsContact C-N 3.27Å; R137-V139 HydrophobicContact CB-CG1 3.93Å; R137-V139 HydrophobicContact CB-CG2 4.15Å; R137-V139 PolarHBondContact O-N 3.35Å
138	K	92.3	Very high	95.6	Very high	116 Å²	116	35.3 Å²	35.3	50%	0.504	18%	0.177	S	C	.	.			trans	57.8	35.7	-177.8	-63.1	179.6	168.7	163.8	0	114.3	E74 N120 N136	E74-K138 WeakPolarHBondContact O-CE 3.16Å; E74-K138 PolarHBondContact O-NZ 3.37Å; N120-K138 WeakPolarHBondContact OD1-CA 3.42Å; N136-K138 VanDerWaalsContact C-N 3.26Å; N136-K138 PolarHBondContact O-N 3.42Å; N136-K138 PolarHBondContact OD1-N 3.39Å
139	V	93.1	Very high	95.5	Very high	82 Å²	82	31.8 Å²	31.8	50%	0.497	16%	0.158	S	C	.	.	S	Bend	trans	-100.6	9.8	-178.1	-61.9	0	0	0	0	113.3	N120 R137 K141 Q142	N120-V139 PolarHBondContact OD1-N 2.77Å; R137-V139 VanDerWaalsContact C-N 3.27Å; R137-V139 HydrophobicContact CB-CG1 3.93Å; R137-V139 HydrophobicContact CB-CG2 4.15Å; R137-V139 PolarHBondContact O-N 3.35Å; V139-K141 PolarHBondContact O-N 3.4Å; V139-Q142 HydrophobicContact CG2-CB 4.17Å
140	G	95.8	Very high	95.6	Very high	18 Å²	18	31.5 Å²	31.5	19%	0.186	16%	0.155	C	C	.	.	S	Bend	trans	78.7	-102	-170.7	0	0	0	0	0	112.5	E119 N120 Y121 Q142	E119-G140 WeakPolarHBondContact O-CA 3.23Å; N120-G140 WeakPolarHBondContact CA-O 3.39Å; N120-G140 WeakPolarHBondContact OD1-CA 3.47Å; N120-G140 PolarHBondContact OD1-N 2.87Å; Y121-G140 PolarHBondContact N-O 3.3Å; G140-Q142 PolarHBondContact O-N 2.86Å; G140-Q142 VanDerWaalsContact O-N 3.11Å
141	K	96.6	Very high	95.5	Very high	96 Å²	96	33 Å²	33	42%	0.417	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	92.2	176.9	-176.7	177.5	-173	169.9	0	109.7	E86 Y121 S123 V139	E86-K141 WeakPolarHBondContact OE1-CE 3.21Å; E86-K141 IonicContact OE1-NZ 2.75Å; E86-K141 PolarHBondContact OE1-NZ 3.35Å; E86-K141 IonicContact OE2-NZ 3.05Å; Y121-K141 HydrophobicContact CE1-CB 3.85Å; Y121-K141 HydrophobicContact CE1-CG 4.31Å; Y121-K141 HydrophobicContact CE2-CG 4.17Å; Y121-K141 WeakPolarHBondContact OH-CD 3.39Å; Y121-K141 WeakPolarHBondContact OH-CG 3.5Å; S123-K141 WeakPolarHBondContact OG-CE 3.47Å; V139-K141 PolarHBondContact O-N 3.4Å
142	Q	97.4	Very high	95.4	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.028	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.6	174.3	-178.5	169.1	-39.2	0	0	109.8	W77 Y121 I122 S123 G135 V139 G140	W77-Q142 HydrophobicContact CH2-CB 4.48Å; W77-Q142 HydrophobicContact CZ2-CB 4.33Å; Y121-Q142 PolarHBondContact O-N 3.24Å; I122-Q142 CarbonylContact C-O 3.52Å; I122-Q142 WeakPolarHBondContact CA-O 3.25Å; S123-Q142 PolarHBondContact N-O 3.37Å; G135-Q142 PolarHBondContact O-NE2 3.25Å; G135-Q142 PolarHBondContact O-OE1 3.21Å; V139-Q142 HydrophobicContact CG2-CB 4.17Å; G140-Q142 PolarHBondContact O-N 2.86Å; G140-Q142 VanDerWaalsContact O-N 3.11Å
143	R	97.6	Very high	95.4	Very high	139 Å²	139	33.3 Å²	33.3	53%	0.525	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.4	-175.4	-62.4	-179.1	71.1	165.5	5.3	111.4	S123 F125	S123-R143 CarbonylContact O-C 3.53Å; S123-R143 WeakPolarHBondContact O-CA 3.48Å; F125-R143 HydrophobicContact CD1-CB 4.13Å; F125-R143 HydrophobicContact CE1-CB 3.78Å; F125-R143 HydrophobicContact CE1-CG 4.48Å
144	L	98.6	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.1	170.7	-174.3	158.7	0	0	0	107.7	I122 S123 I124 F125 I146 E159 F160 A163	I122-L144 HydrophobicContact CG2-CB 3.72Å; I122-L144 HydrophobicContact CG2-CD1 4.07Å; S123-L144 PolarHBondContact O-N 2.55Å; I124-L144 WeakPolarHBondContact CA-O 3.44Å; I124-L144 HydrophobicContact CG2-CD2 4.14Å; F125-L144 VanDerWaalsContact CD1-O 3.31Å; F125-L144 WeakPolarHBondContact CD1-O 3.46Å; F125-L144 PolarHBondContact N-O 3Å; F125-L144 VanDerWaalsContact N-O 3.09Å; L144-I146 HydrophobicContact CD2-CD1 3.69Å; L144-I146 HydrophobicContact CD2-CG1 3.72Å; L144-E159 HydrophobicContact CD1-CB 4.04Å; L144-E159 HydrophobicContact CD2-CB 3.93Å; L144-E159 HydrophobicContact CG-CB 4.1Å; L144-F160 HydrophobicContact CD1-CD1 4.49Å; L144-F160 HydrophobicContact CD1-CD2 3.91Å; L144-F160 HydrophobicContact CD1-CE1 4.44Å; L144-F160 HydrophobicContact CD1-CE2 3.86Å; L144-F160 HydrophobicContact CD1-CG 4.24Å; L144-F160 HydrophobicContact CD1-CZ 4.13Å; L144-F160 HydrophobicContact CD2-CE2 4.27Å; L144-A163 HydrophobicContact CD1-CB 4.25Å
145	S	98.6	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.1	-176.1	-174.2	0	0	0	0	110.7	F125 G127 G129 C130 F131	F125-S145 WeakPolarHBondContact O-CA 3.47Å; G127-S145 WeakPolarHBondContact CA-OG 3.33Å; G127-S145 PolarHBondContact N-OG 3.34Å; G127-S145 VanDerWaalsContact N-OG 3.15Å; G129-S145 WeakPolarHBondContact O-CB 3.31Å; G129-S145 PolarHBondContact O-OG 3.29Å; C130-S145 WeakPolarHBondContact CA-O 3.36Å; F131-S145 VanDerWaalsContact CE1-CB 3.41Å; F131-S145 VanDerWaalsContact CZ-CB 3.44Å; F131-S145 PolarHBondContact N-O 3.41Å; F131-S145 PolarHBondContact O-N 2.88Å
146	I	98.6	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	86.8	163.4	-58.2	-61.6	0	0	0	106.2	L89 A93 I97 I124 F125 L144 C150 I156 E159	L89-I146 HydrophobicContact CD2-CB 4.14Å; A93-I146 HydrophobicContact CB-CG2 4.06Å; I97-I146 HydrophobicContact CD1-CG1 4.44Å; I124-I146 HydrophobicContact CG2-CB 4.42Å; I124-I146 HydrophobicContact CG2-CG1 3.81Å; F125-I146 PolarHBondContact O-N 2.91Å; L144-I146 HydrophobicContact CD2-CD1 3.69Å; L144-I146 HydrophobicContact CD2-CG1 3.72Å; I146-C150 HydrophobicContact CB-CB 4.48Å; I146-C150 HydrophobicContact CG2-CB 3.83Å; I146-I156 HydrophobicContact CD1-CB 4.42Å; I146-I156 HydrophobicContact CD1-CG1 3.68Å; I146-I156 HydrophobicContact CG1-CG1 4.21Å; I146-I156 HydrophobicContact CG2-CG1 4.3Å; I146-E159 HydrophobicContact CD1-CB 4.44Å; I146-E159 HydrophobicContact CD1-CG 4.09Å
147	G	96.9	Very high	96.3	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	16%	0.158	C	C	.	.			trans	-77.9	-169.9	-179.7	0	0	0	0	0	113.9	G127 G129 C150	G127-G147 WeakPolarHBondContact O-CA 3.43Å; G129-G147 WeakPolarHBondContact O-CA 3.2Å; G129-G147 PolarHBondContact O-N 3.01Å; G147-C150 PolarHBondContact N-SG 3.47Å; G147-C150 VanDerWaalsContact O-CB 3.27Å; G147-C150 WeakPolarHBondContact O-CB 3.34Å; G147-C150 PolarHBondContact O-N 2.87Å
148	T	93.4	Very high	96.6	Very high	66 Å²	66	31 Å²	31	41%	0.405	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	137	171.2	-67	0	0	0	0	110.4	E90 K126 C150	E90-T148 PolarHBondContact OE1-OG1 2.82Å; K126-T148 VanDerWaalsContact CE-OG1 3.27Å; K126-T148 WeakPolarHBondContact CE-OG1 3.25Å; K126-T148 PolarHBondContact NZ-OG1 2.91Å; T148-C150 PolarHBondContact O-N 3.42Å
149	N	92.4	Very high	96.9	Very high	50 Å²	50	25.4 Å²	25.4	27%	0.267	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	3	-174.3	-52	-29.9	0	0	0	115.7	I46	I46-N149 HydrophobicContact CD1-CB 3.84Å; I46-N149 WeakPolarHBondContact CD1-O 3.49Å; I46-N149 HydrophobicContact CG1-CB 4.32Å
150	C	96.7	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.			trans	-92.8	-1.9	176.9	-55.7	0	0	0	0	113.6	C130 I146 G147 T148 R152 T155	C130-C150 WeakPolarHBondContact CA-SG 2.99Å; C130-C150 HydrophobicContact CB-CB 3.73Å; C130-C150 WeakPolarHBondContact CB-SG 3.33Å; C130-C150 PolarHBondContact N-SG 2.86Å; C130-C150 WeakPolarHBondContact SG-CB 3.43Å; C130-C150 CovalentContact SG-SG 2.02Å; C130-C150 PolarHBondContact SG-SG 2.04Å; I146-C150 HydrophobicContact CB-CB 4.48Å; I146-C150 HydrophobicContact CG2-CB 3.83Å; G147-C150 PolarHBondContact N-SG 3.47Å; G147-C150 VanDerWaalsContact O-CB 3.27Å; G147-C150 WeakPolarHBondContact O-CB 3.34Å; G147-C150 PolarHBondContact O-N 2.87Å; T148-C150 PolarHBondContact O-N 3.42Å; C150-R152 PolarHBondContact O-N 3.11Å; C150-T155 HydrophobicContact CB-CG2 4.1Å
151	D	95.7	Very high	97.3	Very high	31 Å²	31	20.8 Å²	20.8	17%	0.166	10%	0.097	C	C	.	.			trans	-78.7	38.2	-175.5	62.8	-35.3	0	0	0	113.2	N92 A93	N92-D151 PolarHBondContact ND2-OD2 3.11Å; A93-D151 HydrophobicContact CB-CB 3.86Å
152	R	96.5	Very high	97.3	Very high	28 Å²	28	16.2 Å²	16.2	11%	0.106	8%	0.077	C	C	.	.			trans	-104.9	138.7	174.6	-57.6	178.2	-178.2	175.1	2.5	109.1	D36 L41 C150 A154 T155 I156	D36-R152 IonicContact OD1-CZ 3.66Å; D36-R152 IonicContact OD1-NE 3.62Å; D36-R152 IonicContact OD1-NH2 3.7Å; D36-R152 PolarHBondContact OD1-NH2 3.4Å; D36-R152 IonicContact OD2-NH2 3.12Å; L41-R152 PolarHBondContact O-NH1 3.17Å; C150-R152 PolarHBondContact O-N 3.11Å; R152-A154 VanDerWaalsContact C-N 3.33Å; R152-A154 PolarHBondContact O-N 2.91Å; R152-T155 WeakPolarHBondContact O-CB 3.2Å; R152-T155 PolarHBondContact O-N 2.86Å; R152-T155 VanDerWaalsContact O-N 3.11Å; R152-I156 PolarHBondContact O-N 3.11Å
153	I	97.8	Very high	97.3	Very high	8 Å²	8	16 Å²	16	4%	0.041	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-44.8	-174.1	-166.8	170.7	0	0	0	112.1	V96 K99 A100 Q103 T155 I156 E157 Q528	V96-I153 HydrophobicContact CG1-CB 3.92Å; V96-I153 HydrophobicContact CG1-CG1 4.48Å; K99-I153 HydrophobicContact CB-CD1 4.17Å; A100-I153 HydrophobicContact CB-CG1 4.04Å; Q103-I153 HydrophobicContact CG-CD1 3.94Å; I153-T155 VanDerWaalsContact C-N 3.35Å; I153-T155 PolarHBondContact O-N 3.23Å; I153-I156 PolarHBondContact O-N 3.38Å; I153-E157 HydrophobicContact CG1-CG 4.49Å; I153-E157 WeakPolarHBondContact O-CB 3.1Å; I153-E157 WeakPolarHBondContact O-CG 3.49Å; I153-E157 PolarHBondContact O-N 3.1Å; I153-Q528 HydrophobicContact CG2-CB 4.15Å
154	A	97.4	Very high	97.3	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-66.9	-33.9	179.2	0	0	0	0	0	112.8	R152 E157 H158 M214 R244	R152-A154 VanDerWaalsContact C-N 3.33Å; R152-A154 PolarHBondContact O-N 2.91Å; A154-E157 PolarHBondContact O-N 3.13Å; A154-H158 VanDerWaalsContact O-CB 3.23Å; A154-H158 WeakPolarHBondContact O-CB 3.33Å; A154-H158 PolarHBondContact O-N 2.89Å; A154-M214 HydrophobicContact CB-CE 4.09Å; A154-M214 WeakPolarHBondContact O-CE 3.41Å; A154-R244 HydrophobicContact CB-CB 4.21Å; A154-R244 WeakPolarHBondContact CB-O 3.47Å
155	T	98.2	Very high	97	Very high	3 Å²	3	10 Å²	10	2%	0.018	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-46.9	173	-62.6	0	0	0	0	110.5	I43 C130 C150 R152 I153 E157 H158 E159	I43-T155 HydrophobicContact CD1-CG2 3.95Å; I43-T155 HydrophobicContact CG1-CG2 3.81Å; C130-T155 HydrophobicContact CB-CG2 3.85Å; C150-T155 HydrophobicContact CB-CG2 4.1Å; R152-T155 WeakPolarHBondContact O-CB 3.2Å; R152-T155 PolarHBondContact O-N 2.86Å; R152-T155 VanDerWaalsContact O-N 3.11Å; I153-T155 VanDerWaalsContact C-N 3.35Å; I153-T155 PolarHBondContact O-N 3.23Å; T155-E157 PolarHBondContact O-N 3.41Å; T155-H158 WeakPolarHBondContact O-CB 3.22Å; T155-H158 PolarHBondContact O-N 2.98Å; T155-E159 WeakPolarHBondContact O-CG 3.41Å; T155-E159 PolarHBondContact O-N 2.83Å
156	I	98.7	Very high	96.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-45.4	177.1	-67.5	153.6	0	0	0	110.8	V96 I97 A100 I146 R152 I153 H158 E159 F160	V96-I156 HydrophobicContact CB-CD1 3.84Å; V96-I156 HydrophobicContact CG1-CD1 3.5Å; I97-I156 HydrophobicContact CG1-CD1 3.81Å; I97-I156 HydrophobicContact CG1-CG1 4.16Å; I97-I156 HydrophobicContact CG1-CG2 4.07Å; A100-I156 HydrophobicContact CB-CB 4.2Å; A100-I156 HydrophobicContact CB-CG2 3.64Å; I146-I156 HydrophobicContact CD1-CB 4.42Å; I146-I156 HydrophobicContact CD1-CG1 3.68Å; I146-I156 HydrophobicContact CG1-CG1 4.21Å; I146-I156 HydrophobicContact CG2-CG1 4.3Å; R152-I156 PolarHBondContact O-N 3.11Å; I153-I156 PolarHBondContact O-N 3.38Å; I156-H158 VanDerWaalsContact C-N 3.29Å; I156-H158 PolarHBondContact O-N 3.14Å; I156-E159 PolarHBondContact O-N 2.77Å; I156-F160 HydrophobicContact CG2-CD2 3.8Å; I156-F160 HydrophobicContact CG2-CE2 3.98Å; I156-F160 VanDerWaalsContact O-CD2 3.3Å; I156-F160 WeakPolarHBondContact O-CD2 3.27Å; I156-F160 PolarHBondContact O-N 2.93Å
157	E	98.6	Very high	96.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.5	-42.7	175.7	-75.8	177.6	167	0	0	112.4	A100 Q103 Y104 I153 A154 T155 F160 L161 M214 F247	A100-E157 HydrophobicContact CB-CG 4.02Å; Q103-E157 WeakPolarHBondContact CB-OE1 3.44Å; Q103-E157 VanDerWaalsContact CG-OE1 3.3Å; Q103-E157 WeakPolarHBondContact CG-OE1 3.25Å; Y104-E157 HydrophobicContact CE2-CG 4.34Å; Y104-E157 PolarHBondContact OH-O 2.98Å; I153-E157 HydrophobicContact CG1-CG 4.49Å; I153-E157 WeakPolarHBondContact O-CB 3.1Å; I153-E157 WeakPolarHBondContact O-CG 3.49Å; I153-E157 PolarHBondContact O-N 3.1Å; A154-E157 PolarHBondContact O-N 3.13Å; T155-E157 PolarHBondContact O-N 3.41Å; E157-F160 PolarHBondContact O-N 2.83Å; E157-L161 PolarHBondContact O-N 3.46Å; E157-M214 HydrophobicContact CB-CE 3.47Å; E157-M214 VanDerWaalsContact CB-CE 3.47Å; E157-M214 HydrophobicContact CB-SD 4.2Å; E157-F247 HydrophobicContact CB-CE1 3.96Å; E157-F247 HydrophobicContact CB-CE2 4.28Å; E157-F247 HydrophobicContact CB-CZ 3.65Å; E157-F247 HydrophobicContact CG-CE1 4.33Å; E157-F247 HydrophobicContact CG-CE2 3.77Å; E157-F247 HydrophobicContact CG-CZ 3.53Å; E157-F247 WeakPolarHBondContact OE1-CE2 3.43Å
158	H	98.6	Very high	96.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.2	-50.8	175.9	-178.5	107.2	0	0	0	112.1	I43 D58 A154 T155 I156 F160 L161 H162 H168 M214 M215	I43-H158 HydrophobicContact CD1-CB 4.04Å; D58-H158 IonicContact OD2-CD2 2.78Å; D58-H158 IonicContact OD2-NE2 3.41Å; D58-H158 PolarHBondContact OD2-NE2 2.83Å; D58-H158 VanDerWaalsContact OD2-NE2 3.12Å; A154-H158 VanDerWaalsContact O-CB 3.23Å; A154-H158 WeakPolarHBondContact O-CB 3.33Å; A154-H158 PolarHBondContact O-N 2.89Å; T155-H158 WeakPolarHBondContact O-CB 3.22Å; T155-H158 PolarHBondContact O-N 2.98Å; I156-H158 VanDerWaalsContact C-N 3.29Å; I156-H158 PolarHBondContact O-N 3.14Å; H158-F160 VanDerWaalsContact C-N 3.25Å; H158-F160 PolarHBondContact O-N 3.44Å; H158-L161 WeakPolarHBondContact O-CB 3.44Å; H158-L161 PolarHBondContact O-N 2.97Å; H158-H162 AromaticContact CD2-CD2 3.65Å; H158-H162 AromaticContact CD2-NE2 3.55Å; H158-H162 AromaticContact NE2-CD2 3.68Å; H158-H162 AromaticContact NE2-CE1 3.98Å; H158-H162 AromaticContact NE2-NE2 3.06Å; H158-H162 PolarHBondContact NE2-NE2 3.16Å; H158-H162 PolarHBondContact O-N 3Å; H158-H168 AromaticContact CE1-CD2 3.7Å; H158-H168 AromaticContact CE1-NE2 3.53Å; H158-H168 AromaticContact NE2-CD2 3.96Å; H158-H168 AromaticContact NE2-NE2 3.38Å; H158-H168 PolarHBondContact NE2-NE2 3.3Å; H158-M214 HydrophobicContact CB-CE 4.42Å; H158-M214 PolarHBondContact ND1-O 2.96Å; H158-M215 HydrophobicContact CB-SD 4.31Å; H158-M215 PolarHBondContact ND1-SD 3.47Å; H158-M215 VanDerWaalsContact ND1-SD 3.38Å
159	E	98.7	Very high	96.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-33	178.1	-63.4	-53	157.6	0	0	113	C130 F131 S132 L144 I146 T155 I156 H162 A163	C130-E159 VanDerWaalsContact C-OE1 3.24Å; C130-E159 HydrophobicContact CB-CG 4.37Å; C130-E159 WeakPolarHBondContact CB-OE1 3.37Å; F131-E159 WeakPolarHBondContact CA-OE2 3.33Å; F131-E159 PolarHBondContact N-OE1 2.8Å; F131-E159 PolarHBondContact N-OE2 2.94Å; S132-E159 VanDerWaalsContact CB-O 3.25Å; S132-E159 WeakPolarHBondContact CB-O 3.49Å; S132-E159 VanDerWaalsContact CB-OE2 3.28Å; S132-E159 WeakPolarHBondContact CB-OE2 3.44Å; S132-E159 PolarHBondContact N-OE2 3.07Å; S132-E159 PolarHBondContact OG-O 2.71Å; L144-E159 HydrophobicContact CD1-CB 4.04Å; L144-E159 HydrophobicContact CD2-CB 3.93Å; L144-E159 HydrophobicContact CG-CB 4.1Å; I146-E159 HydrophobicContact CD1-CB 4.44Å; I146-E159 HydrophobicContact CD1-CG 4.09Å; T155-E159 WeakPolarHBondContact O-CG 3.41Å; T155-E159 PolarHBondContact O-N 2.83Å; I156-E159 PolarHBondContact O-N 2.77Å; E159-H162 WeakPolarHBondContact O-CB 3.4Å; E159-H162 IonicContact OE2-CD2 2.81Å; E159-A163 PolarHBondContact O-N 2.99Å
160	F	98.6	Very high	96.5	Very high	1 Å²	1	7.1 Å²	7.1	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-74.3	-30.3	173.7	-88.2	-89.8	0	0	0	112.5	F101 Y104 F112 I122 I124 L144 I156 E157 H158 A163 L164	F101-F160 HydrophobicContact CE1-CD1 4.21Å; F101-F160 HydrophobicContact CE1-CD2 4.41Å; F101-F160 AromaticContact CE1-CE1 3.63Å; F101-F160 HydrophobicContact CE1-CE1 3.63Å; F101-F160 AromaticContact CE1-CE2 3.87Å; F101-F160 HydrophobicContact CE1-CE2 3.87Å; F101-F160 AromaticContact CE1-CZ 3.44Å; F101-F160 HydrophobicContact CE1-CZ 3.44Å; F101-F160 VanDerWaalsContact CE1-CZ 3.44Å; F101-F160 HydrophobicContact CZ-CE1 4.09Å; F101-F160 HydrophobicContact CZ-CE2 4.35Å; F101-F160 AromaticContact CZ-CZ 3.7Å; F101-F160 HydrophobicContact CZ-CZ 3.7Å; Y104-F160 HydrophobicContact CE2-CB 3.71Å; Y104-F160 HydrophobicContact CE2-CG 4.46Å; Y104-F160 VanDerWaalsContact OH-CB 3.3Å; Y104-F160 WeakPolarHBondContact OH-CB 3.44Å; F112-F160 HydrophobicContact CD1-CD1 4.4Å; F112-F160 HydrophobicContact CD1-CE1 4Å; F112-F160 AromaticContact CE1-CD1 3.4Å; F112-F160 HydrophobicContact CE1-CD1 3.4Å; F112-F160 AromaticContact CE1-CE1 3.4Å; F112-F160 HydrophobicContact CE1-CE1 3.4Å; F112-F160 VanDerWaalsContact CE1-CE1 3.4Å; F112-F160 AromaticContact CZ-CD1 3.68Å; F112-F160 HydrophobicContact CZ-CD1 3.68Å; F112-F160 HydrophobicContact CZ-CE1 4.11Å; F112-F160 HydrophobicContact CZ-CG 4.49Å; I122-F160 HydrophobicContact CD1-CD1 4.17Å; I122-F160 HydrophobicContact CD1-CE1 3.81Å; I122-F160 HydrophobicContact CG2-CE1 4.37Å; I122-F160 HydrophobicContact CG2-CZ 4.33Å; I124-F160 HydrophobicContact CD1-CE2 4.2Å; I124-F160 HydrophobicContact CD1-CZ 3.67Å; I124-F160 HydrophobicContact CG1-CZ 4.07Å; L144-F160 HydrophobicContact CD1-CD1 4.49Å; L144-F160 HydrophobicContact CD1-CD2 3.91Å; L144-F160 HydrophobicContact CD1-CE1 4.44Å; L144-F160 HydrophobicContact CD1-CE2 3.86Å; L144-F160 HydrophobicContact CD1-CG 4.24Å; L144-F160 HydrophobicContact CD1-CZ 4.13Å; L144-F160 HydrophobicContact CD2-CE2 4.27Å; I156-F160 HydrophobicContact CG2-CD2 3.8Å; I156-F160 HydrophobicContact CG2-CE2 3.98Å; I156-F160 VanDerWaalsContact O-CD2 3.3Å; I156-F160 WeakPolarHBondContact O-CD2 3.27Å; I156-F160 PolarHBondContact O-N 2.93Å; E157-F160 PolarHBondContact O-N 2.83Å; H158-F160 VanDerWaalsContact C-N 3.25Å; H158-F160 PolarHBondContact O-N 3.44Å; F160-A163 PolarHBondContact O-N 2.89Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 WeakPolarHBondContact O-CD1 3.03Å; F160-L164 WeakPolarHBondContact O-CG 3.45Å; F160-L164 PolarHBondContact O-N 3.27Å
161	L	97.8	Very high	96.4	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-65.2	-41.5	170.9	-82.2	179.2	0	0	0	111	Y104 E157 H158 L164 G165 F166 M214 M215 F247 L255	Y104-L161 WeakPolarHBondContact OH-CG 3.18Å; Y104-L161 PolarHBondContact OH-N 3.02Å; Y104-L161 VanDerWaalsContact OH-N 3.1Å; E157-L161 PolarHBondContact O-N 3.46Å; H158-L161 WeakPolarHBondContact O-CB 3.44Å; H158-L161 PolarHBondContact O-N 2.97Å; L161-L164 CarbonylContact O-C 3.36Å; L161-L164 PolarHBondContact O-N 3.12Å; L161-G165 PolarHBondContact O-N 2.93Å; L161-G165 VanDerWaalsContact O-N 3.12Å; L161-F166 HydrophobicContact CB-CB 4.26Å; L161-F166 HydrophobicContact CD2-CD2 3.96Å; L161-F166 HydrophobicContact CD2-CE2 4.43Å; L161-F166 HydrophobicContact CD2-CG 4.5Å; L161-F166 WeakPolarHBondContact O-CB 3.21Å; L161-F166 PolarHBondContact O-N 3.47Å; L161-M214 HydrophobicContact CD1-CG 3.85Å; L161-M214 HydrophobicContact CD1-SD 3.62Å; L161-M215 HydrophobicContact CB-CE 4.16Å; L161-M215 HydrophobicContact CB-SD 3.6Å; L161-M215 HydrophobicContact CD1-CG 3.78Å; L161-M215 HydrophobicContact CD1-SD 3.49Å; L161-M215 WeakPolarHBondContact CD1-SD 3.43Å; L161-M215 HydrophobicContact CG-SD 4.19Å; L161-F247 HydrophobicContact CD1-CD1 3.89Å; L161-F247 HydrophobicContact CD1-CE1 3.81Å; L161-F247 HydrophobicContact CD2-CE1 4.11Å; L161-F247 HydrophobicContact CG-CD1 4.38Å; L161-F247 HydrophobicContact CG-CE1 3.84Å; L161-L255 HydrophobicContact CD2-CD2 3.9Å
162	H	97.2	Very high	96.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-54.1	-55	167.7	-74.7	-43.2	0	0	0	110.6	D58 S133 V134 G135 H158 E159 L164 G165 F166 H168 M215	D58-H162 IonicContact OD1-NE2 2.77Å; D58-H162 PolarHBondContact OD1-NE2 3.16Å; D58-H162 IonicContact OD2-NE2 3.21Å; S133-H162 CarbonylContact O-C 3.57Å; V134-H162 CarbonylContact C-O 3.58Å; V134-H162 WeakPolarHBondContact CA-O 3.2Å; G135-H162 PolarHBondContact N-O 3.06Å; H158-H162 AromaticContact CD2-CD2 3.65Å; H158-H162 AromaticContact CD2-NE2 3.55Å; H158-H162 AromaticContact NE2-CD2 3.68Å; H158-H162 AromaticContact NE2-CE1 3.98Å; H158-H162 AromaticContact NE2-NE2 3.06Å; H158-H162 PolarHBondContact NE2-NE2 3.16Å; H158-H162 PolarHBondContact O-N 3Å; E159-H162 WeakPolarHBondContact O-CB 3.4Å; E159-H162 IonicContact OE2-CD2 2.81Å; H162-L164 PolarHBondContact O-N 3.25Å; H162-G165 PolarHBondContact O-N 3.25Å; H162-F166 WeakPolarHBondContact CA-O 3.42Å; H162-F166 PolarHBondContact ND1-O 2.76Å; H162-H168 AromaticContact CE1-CE1 3.73Å; H162-H168 AromaticContact CE1-NE2 3.75Å; H162-H168 AromaticContact NE2-CE1 3.72Å; H162-H168 AromaticContact NE2-NE2 3.55Å; H162-M215 WeakPolarHBondContact CE1-CE 3.34Å; H162-M215 WeakPolarHBondContact ND1-CE 3.4Å; H162-M215 WeakPolarHBondContact NE2-CE 3.35Å
163	A	97.4	Very high	96	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.4	-30.6	179.6	0	0	0	0	0	113.5	W77 I122 S133 G135 L144 E159 F160	W77-A163 PolarHBondContact NE1-O 2.72Å; I122-A163 HydrophobicContact CD1-CB 3.73Å; S133-A163 WeakPolarHBondContact O-CA 3.2Å; S133-A163 PolarHBondContact O-N 3.16Å; G135-A163 CarbonylContact C-O 3.5Å; G135-A163 WeakPolarHBondContact CA-O 3.48Å; G135-A163 PolarHBondContact N-O 2.86Å; L144-A163 HydrophobicContact CD1-CB 4.25Å; E159-A163 PolarHBondContact O-N 2.99Å; F160-A163 PolarHBondContact O-N 2.89Å
164	L	96.5	Very high	95.8	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-83.5	-5.6	177.6	-69.3	167.7	0	0	0	114.3	V81 Y104 I110 F160 L161 H162 L255 Y259	V81-L164 HydrophobicContact CG2-CD2 4.16Å; Y104-L164 HydrophobicContact CD1-CD1 4.18Å; Y104-L164 HydrophobicContact CE1-CD1 3.39Å; I110-L164 HydrophobicContact CG2-CD1 4.38Å; I110-L164 HydrophobicContact CG2-CD2 4.18Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 WeakPolarHBondContact O-CD1 3.03Å; F160-L164 WeakPolarHBondContact O-CG 3.45Å; F160-L164 PolarHBondContact O-N 3.27Å; L161-L164 CarbonylContact O-C 3.36Å; L161-L164 PolarHBondContact O-N 3.12Å; H162-L164 PolarHBondContact O-N 3.25Å; L164-L255 HydrophobicContact CB-CD1 4.26Å; L164-L255 HydrophobicContact CD1-CD1 4.03Å; L164-L255 HydrophobicContact CD1-CD2 4.26Å; L164-Y259 HydrophobicContact CB-CE2 4.34Å; L164-Y259 HydrophobicContact CD2-CE1 4.47Å; L164-Y259 HydrophobicContact CD2-CE2 4.27Å; L164-Y259 VanDerWaalsContact CD2-OH 3.29Å; L164-Y259 WeakPolarHBondContact CD2-OH 3.38Å; L164-Y259 PolarHBondContact O-OH 2.9Å
165	G	92	Very high	95.8	Very high	13 Å²	13	9.4 Å²	9.4	13%	0.134	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.1	13.1	170.3	0	0	0	0	0	115.6	V134 L161 H162	V134-G165 VanDerWaalsContact CG1-C 3.41Å; L161-G165 PolarHBondContact O-N 2.93Å; L161-G165 VanDerWaalsContact O-N 3.12Å; H162-G165 PolarHBondContact O-N 3.25Å
166	F	91.9	Very high	95.7	Very high	26 Å²	26	13.6 Å²	13.6	11%	0.114	8%	0.076	C	C	.	.			trans	-96.5	136.5	-178.1	-70.9	-85.4	0	0	0	112.4	L161 H162 L205 K254 L255 L258	L161-F166 HydrophobicContact CB-CB 4.26Å; L161-F166 HydrophobicContact CD2-CD2 3.96Å; L161-F166 HydrophobicContact CD2-CE2 4.43Å; L161-F166 HydrophobicContact CD2-CG 4.5Å; L161-F166 WeakPolarHBondContact O-CB 3.21Å; L161-F166 PolarHBondContact O-N 3.47Å; H162-F166 WeakPolarHBondContact CA-O 3.42Å; H162-F166 PolarHBondContact ND1-O 2.76Å; F166-L205 HydrophobicContact CE1-CD1 4.48Å; F166-K254 HydrophobicContact CE1-CB 3.61Å; F166-K254 HydrophobicContact CE1-CD 4.44Å; F166-K254 HydrophobicContact CZ-CB 4.02Å; F166-L255 HydrophobicContact CE2-CB 4.05Å; F166-L255 HydrophobicContact CE2-CD1 3.74Å; F166-L255 HydrophobicContact CE2-CG 4.48Å; F166-L255 HydrophobicContact CZ-CB 4.16Å; F166-L258 HydrophobicContact CE2-CD2 3.68Å; F166-L258 HydrophobicContact CZ-CB 4.28Å; F166-L258 HydrophobicContact CZ-CD2 3.73Å
167	W	91.9	Very high	95.7	Very high	21 Å²	21	19.2 Å²	19.2	8%	0.08	11%	0.106	C	C	.	.			trans	-93.8	176.2	166.2	-66.7	82.5	0	0	0	109.7	V55 I59 L61 V134 Y197	V55-W167 HydrophobicContact CG1-CZ3 4.2Å; I59-W167 HydrophobicContact CD1-CD2 4.31Å; I59-W167 HydrophobicContact CD1-CE3 3.49Å; I59-W167 VanDerWaalsContact CD1-CE3 3.49Å; I59-W167 HydrophobicContact CD1-CZ3 3.82Å; I59-W167 HydrophobicContact CG2-CZ3 4.33Å; L61-W167 HydrophobicContact CD2-CH2 3.88Å; V134-W167 HydrophobicContact CG1-CG 4.48Å; V134-W167 HydrophobicContact CG2-CD2 4.19Å; V134-W167 HydrophobicContact CG2-CE3 4.45Å; V134-W167 HydrophobicContact CG2-CZ2 4.34Å; W167-Y197 HydrophobicContact CD2-CD2 4.39Å; W167-Y197 HydrophobicContact CD2-CE2 4.18Å; W167-Y197 HydrophobicContact CE3-CD2 4.09Å; W167-Y197 AromaticContact CE3-CE2 3.45Å; W167-Y197 HydrophobicContact CE3-CE2 3.45Å; W167-Y197 VanDerWaalsContact CE3-CE2 3.45Å; W167-Y197 HydrophobicContact CZ3-CE1 4.48Å; W167-Y197 AromaticContact CZ3-CE2 3.65Å; W167-Y197 HydrophobicContact CZ3-CE2 3.65Å; W167-Y197 AromaticContact CZ3-CZ 3.68Å
168	H	95.5	Very high	95.7	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.014	12%	0.119	C	C	.	.			trans	-67.8	149.3	174.6	-66.1	112.5	0	0	0	113.9	F44 E56 D58 H158 H162 S171 M215 Y217	F44-H168 AromaticContact CE1-CE1 3.99Å; F44-H168 AromaticContact CE1-NE2 3.55Å; F44-H168 AromaticContact CZ-NE2 3.67Å; E56-H168 WeakPolarHBondContact CB-ND1 3.36Å; E56-H168 PolarHBondContact O-CE1 2.74Å; E56-H168 IonicContact OE2-CE1 3.72Å; E56-H168 IonicContact OE2-CG 3.67Å; E56-H168 IonicContact OE2-ND1 2.73Å; E56-H168 PolarHBondContact OE2-ND1 3.34Å; D58-H168 IonicContact OD1-CE1 2.8Å; D58-H168 PolarHBondContact OD1-CE1 2.59Å; D58-H168 IonicContact OD1-NE2 3.49Å; D58-H168 IonicContact OD2-CE1 3.75Å; D58-H168 IonicContact OD2-NE2 3.34Å; H158-H168 AromaticContact CE1-CD2 3.7Å; H158-H168 AromaticContact CE1-NE2 3.53Å; H158-H168 AromaticContact NE2-CD2 3.96Å; H158-H168 AromaticContact NE2-NE2 3.38Å; H158-H168 PolarHBondContact NE2-NE2 3.3Å; H162-H168 AromaticContact CE1-CE1 3.73Å; H162-H168 AromaticContact CE1-NE2 3.75Å; H162-H168 AromaticContact NE2-CE1 3.72Å; H162-H168 AromaticContact NE2-NE2 3.55Å; H168-S171 PolarHBondContact O-N 2.75Å; H168-M215 CarbonylContact C-O 3.48Å; H168-M215 WeakPolarHBondContact CA-O 3.26Å; H168-M215 WeakPolarHBondContact CB-O 3.29Å; H168-M215 PolarHBondContact CD2-O 2.84Å; H168-M215 VanDerWaalsContact CD2-O 3.23Å; H168-Y217 AromaticContact CD2-CE1 3.69Å; H168-Y217 AromaticContact CE1-CE1 3.6Å; H168-Y217 AromaticContact CG-CE1 3.8Å; H168-Y217 AromaticContact ND1-CE1 3.76Å; H168-Y217 AromaticContact NE2-CE1 3.53Å
169	E	96.3	Very high	95.7	Very high	9 Å²	9	22.7 Å²	22.7	4%	0.042	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69	-37.2	-179.3	-170.2	67.8	-178.8	0	0	111.7	S171 R172 Y209 D210 M215 H216 K254	E169-S171 PolarHBondContact O-N 3.35Å; E169-S171 VanDerWaalsContact O-N 3.12Å; E169-R172 WeakPolarHBondContact O-CD 3.38Å; E169-R172 VanDerWaalsContact O-CG 3.25Å; E169-R172 WeakPolarHBondContact O-CG 3.4Å; E169-R172 PolarHBondContact O-N 3.23Å; E169-R172 WeakPolarHBondContact OE1-CD 3.39Å; E169-R172 IonicContact OE1-CZ 3.49Å; E169-R172 IonicContact OE1-NE 2.71Å; E169-R172 IonicContact OE1-NH1 3.38Å; E169-R172 PolarHBondContact OE1-NH1 3.28Å; E169-Y209 HydrophobicContact CG-CD2 4.5Å; E169-Y209 HydrophobicContact CG-CE1 4.4Å; E169-Y209 HydrophobicContact CG-CE2 4.21Å; E169-Y209 WeakPolarHBondContact O-CE2 3.15Å; E169-D210 PolarHBondContact OE1-N 2.9Å; E169-M215 PolarHBondContact N-O 3.38Å; E169-H216 HydrophobicContact CB-CB 4.01Å; E169-K254 IonicContact OE1-NZ 2.73Å; E169-K254 PolarHBondContact OE1-NZ 2.88Å; E169-K254 IonicContact OE2-NZ 3.69Å; E169-K254 PolarHBondContact OE2-NZ 2.56Å
170	Q	95.6	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-74.8	7.6	176.5	84	-67.2	-27.8	0	0	113.7	R175 Y209 M215 Y217 I230	Q170-R175 WeakPolarHBondContact O-CD 3.37Å; Q170-R175 PolarHBondContact O-NH1 2.88Å; Q170-Y209 WeakPolarHBondContact CA-OH 3.4Å; Q170-M215 PolarHBondContact OE1-O 3.06Å; Q170-Y217 VanDerWaalsContact CD-CD1 3.45Å; Q170-Y217 HydrophobicContact CG-CD2 3.97Å; Q170-Y217 HydrophobicContact CG-CG 3.99Å; Q170-Y217 VanDerWaalsContact NE2-CD2 3.35Å; Q170-Y217 VanDerWaalsContact NE2-CE2 3.33Å; Q170-Y217 VanDerWaalsContact NE2-CZ 3.26Å; Q170-I230 HydrophobicContact CB-CD1 4.39Å; Q170-I230 HydrophobicContact CG-CD1 4.08Å
171	S	93.4	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-108.9	5	174.8	-57.8	0	0	0	0	112.5	E56 H168 E169 T196 Y197	E56-S171 WeakPolarHBondContact OE1-CB 3.44Å; E56-S171 PolarHBondContact OE1-OG 3.03Å; E56-S171 PolarHBondContact OE2-OG 2.91Å; H168-S171 PolarHBondContact O-N 2.75Å; E169-S171 PolarHBondContact O-N 3.35Å; E169-S171 VanDerWaalsContact O-N 3.12Å; S171-T196 WeakPolarHBondContact O-CA 3.49Å; S171-Y197 PolarHBondContact O-N 3.43Å
172	R	92.6	Very high	95.6	Very high	12 Å²	12	29.8 Å²	29.8	5%	0.045	15%	0.154	C	C	.	.	S	Bend	trans	-59	148.6	174.2	-73	172.6	58.9	140.2	5.6	112.5	E169 D174 R175 V207 P208	E169-R172 WeakPolarHBondContact O-CD 3.38Å; E169-R172 VanDerWaalsContact O-CG 3.25Å; E169-R172 WeakPolarHBondContact O-CG 3.4Å; E169-R172 PolarHBondContact O-N 3.23Å; E169-R172 WeakPolarHBondContact OE1-CD 3.39Å; E169-R172 IonicContact OE1-CZ 3.49Å; E169-R172 IonicContact OE1-NE 2.71Å; E169-R172 IonicContact OE1-NH1 3.38Å; E169-R172 PolarHBondContact OE1-NH1 3.28Å; R172-D174 VanDerWaalsContact CB-OD1 3.26Å; R172-D174 WeakPolarHBondContact CB-OD1 2.9Å; R172-D174 IonicContact CZ-OD1 3.02Å; R172-D174 IonicContact CZ-OD2 3.3Å; R172-D174 IonicContact NE-OD1 3.36Å; R172-D174 PolarHBondContact NE-OD1 3.42Å; R172-D174 IonicContact NE-OD2 3.03Å; R172-D174 IonicContact NH2-OD1 2.74Å; R172-D174 PolarHBondContact NH2-OD1 3.41Å; R172-D174 IonicContact NH2-OD2 3.49Å; R172-D174 PolarHBondContact NH2-OD2 3.07Å; R172-D174 PolarHBondContact O-N 2.78Å; R172-R175 HydrophobicContact CB-CB 4.46Å; R172-R175 WeakPolarHBondContact O-CB 3.15Å; R172-R175 WeakPolarHBondContact O-CG 3.43Å; R172-R175 PolarHBondContact O-N 3.47Å; R172-V207 PolarHBondContact NH1-O 3.12Å; R172-V207 VanDerWaalsContact NH1-O 3.16Å; R172-V207 PolarHBondContact NH2-O 3.45Å; R172-V207 VanDerWaalsContact NH2-O 3.16Å; R172-P208 VanDerWaalsContact NH1-C 3.35Å; R172-P208 PolarHBondContact NH1-O 3.48Å
173	S	91.2	Very high	95.6	Very high	57 Å²	57	35.2 Å²	35.2	40%	0.399	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.2	175.6	53.9	0	0	0	0	113.5	Y197 D199	S173-Y197 WeakPolarHBondContact CA-O 3.48Å; S173-Y197 WeakPolarHBondContact CB-O 3.48Å; S173-Y197 PolarHBondContact N-O 2.96Å; S173-D199 PolarHBondContact OG-OD1 3.5Å
174	D	93.9	Very high	95.6	Very high	44 Å²	44	42.8 Å²	42.8	24%	0.235	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.5	-179.1	63.4	-7.3	0	0	0	114	R172 D176 D177 Y178	R172-D174 VanDerWaalsContact CB-OD1 3.26Å; R172-D174 WeakPolarHBondContact CB-OD1 2.9Å; R172-D174 IonicContact CZ-OD1 3.02Å; R172-D174 IonicContact CZ-OD2 3.3Å; R172-D174 IonicContact NE-OD1 3.36Å; R172-D174 PolarHBondContact NE-OD1 3.42Å; R172-D174 IonicContact NE-OD2 3.03Å; R172-D174 IonicContact NH2-OD1 2.74Å; R172-D174 PolarHBondContact NH2-OD1 3.41Å; R172-D174 IonicContact NH2-OD2 3.49Å; R172-D174 PolarHBondContact NH2-OD2 3.07Å; R172-D174 PolarHBondContact O-N 2.78Å; D174-D176 PolarHBondContact O-N 3.05Å; D174-D176 VanDerWaalsContact O-N 3.09Å; D174-D177 WeakPolarHBondContact O-CB 3.09Å; D174-D177 PolarHBondContact O-N 2.8Å; D174-D177 VanDerWaalsContact O-N 3.14Å; D174-Y178 WeakPolarHBondContact O-CD2 3.35Å
175	R	96.4	Very high	95.7	Very high	5 Å²	5	46 Å²	46	2%	0.019	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-57.6	-33.5	-171.7	79.3	174.4	-171	-157	-8.9	113.6	Q170 R172 D177 Y178 V179 F194 T196 Y209	Q170-R175 WeakPolarHBondContact O-CD 3.37Å; Q170-R175 PolarHBondContact O-NH1 2.88Å; R172-R175 HydrophobicContact CB-CB 4.46Å; R172-R175 WeakPolarHBondContact O-CB 3.15Å; R172-R175 WeakPolarHBondContact O-CG 3.43Å; R172-R175 PolarHBondContact O-N 3.47Å; R175-D177 PolarHBondContact O-N 2.78Å; R175-D177 VanDerWaalsContact O-N 3.08Å; R175-Y178 WeakPolarHBondContact O-CA 3.25Å; R175-Y178 PolarHBondContact O-N 2.81Å; R175-V179 HydrophobicContact CB-CG2 4.28Å; R175-V179 HydrophobicContact CG-CG2 4.39Å; R175-V179 WeakPolarHBondContact O-CG2 3.35Å; R175-V179 PolarHBondContact O-N 2.7Å; R175-F194 VanDerWaalsContact NH1-C 3.33Å; R175-F194 PolarHBondContact NH1-O 3.11Å; R175-F194 PolarHBondContact NH2-O 2.76Å; R175-T196 HydrophobicContact CG-CG2 3.89Å; R175-T196 VanDerWaalsContact NE-CG2 3.31Å; R175-Y209 HydrophobicContact CB-CE2 3.73Å
176	D	97.3	Very high	95.9	Very high	90 Å²	90	45.8 Å²	45.8	48%	0.481	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-72.3	-6.8	-170.6	-74.1	-12.8	0	0	0	110.3	D174 K233	D174-D176 PolarHBondContact O-N 3.05Å; D174-D176 VanDerWaalsContact O-N 3.09Å; D176-K233 WeakPolarHBondContact O-CE 3.48Å; D176-K233 PolarHBondContact O-NZ 3.07Å
177	D	97.8	Very high	96	Very high	118 Å²	118	47.5 Å²	47.5	63%	0.631	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-78.6	-22.1	167.2	-70.3	-31.8	0	0	0	113	D174 R175 K233	D174-D177 WeakPolarHBondContact O-CB 3.09Å; D174-D177 PolarHBondContact O-N 2.8Å; D174-D177 VanDerWaalsContact O-N 3.14Å; R175-D177 PolarHBondContact O-N 2.78Å; R175-D177 VanDerWaalsContact O-N 3.08Å; D177-K233 WeakPolarHBondContact O-CD 3.22Å; D177-K233 PolarHBondContact O-NZ 3.34Å
178	Y	98.3	Very high	96.1	Very high	73 Å²	73	55.2 Å²	55.2	29%	0.286	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-34.3	-171	-63.4	-84.4	0	0	0	113.6	D174 R175 Y209 Y211 K233	D174-Y178 WeakPolarHBondContact O-CD2 3.35Å; R175-Y178 WeakPolarHBondContact O-CA 3.25Å; R175-Y178 PolarHBondContact O-N 2.81Å; Y178-Y209 HydrophobicContact CD1-CD1 4.09Å; Y178-Y209 AromaticContact CD1-CG 3.98Å; Y178-Y209 HydrophobicContact CD1-CG 3.98Å; Y178-Y209 HydrophobicContact CD2-CD1 4.26Å; Y178-Y209 AromaticContact CD2-CD2 3.67Å; Y178-Y209 HydrophobicContact CD2-CD2 3.67Å; Y178-Y209 HydrophobicContact CD2-CE2 4.46Å; Y178-Y209 AromaticContact CD2-CG 3.55Å; Y178-Y209 HydrophobicContact CD2-CG 3.55Å; Y178-Y209 HydrophobicContact CE1-CG 4.4Å; Y178-Y209 VanDerWaalsContact CE2-CB 3.44Å; Y178-Y209 HydrophobicContact CE2-CD2 4.23Å; Y178-Y209 HydrophobicContact CE2-CG 4.02Å; Y178-Y209 AromaticContact CG-CD1 3.77Å; Y178-Y209 HydrophobicContact CG-CD1 3.77Å; Y178-Y209 HydrophobicContact CG-CD2 4.02Å; Y178-Y209 HydrophobicContact CG-CE1 4.46Å; Y178-Y209 AromaticContact CG-CG 3.52Å; Y178-Y209 HydrophobicContact CG-CG 3.52Å; Y178-Y209 VanDerWaalsContact CZ-CB 3.47Å; Y178-Y211 WeakPolarHBondContact CA-OH 3.47Å; Y178-Y211 WeakPolarHBondContact CB-OH 3.38Å; Y178-Y211 HydrophobicContact CD1-CE2 4.28Å; Y178-Y211 PolarHBondContact O-OH 3.11Å; Y178-K233 PolarHBondContact O-N 2.91Å
179	V	98.5	Very high	96	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	158.9	-178.6	-59.8	0	0	0	0	111	R175 I181 Y209 Y211 I230 V231 T232	R175-V179 HydrophobicContact CB-CG2 4.28Å; R175-V179 HydrophobicContact CG-CG2 4.39Å; R175-V179 WeakPolarHBondContact O-CG2 3.35Å; R175-V179 PolarHBondContact O-N 2.7Å; V179-I181 HydrophobicContact CG2-CD1 4.32Å; V179-Y209 HydrophobicContact CG1-CE1 4.39Å; V179-Y211 HydrophobicContact CG1-CE1 3.98Å; V179-I230 HydrophobicContact CB-CG2 3.85Å; V179-I230 HydrophobicContact CG1-CG2 4Å; V179-I230 HydrophobicContact CG2-CG2 4.28Å; V179-V231 CarbonylContact C-O 3.51Å; V179-V231 WeakPolarHBondContact CA-O 3.41Å; V179-T232 HydrophobicContact CG1-CG2 4.28Å
180	Q	98.3	Very high	95.9	Very high	114 Å²	114	58.4 Å²	58.4	53%	0.533	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.4	169.3	177.9	-179.2	-4.5	0	0	108.3	V231	Q180-V231 PolarHBondContact N-O 3.32Å; Q180-V231 PolarHBondContact O-N 3.02Å
181	I	98.4	Very high	95.8	Very high	10 Å²	10	62 Å²	62	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.5	168.6	-52.9	-48.9	0	0	0	108.6	V179 W183 I186 F194 I230	V179-I181 HydrophobicContact CG2-CD1 4.32Å; I181-W183 HydrophobicContact CB-CZ2 4.21Å; I181-W183 HydrophobicContact CG2-CD2 3.87Å; I181-W183 HydrophobicContact CG2-CE3 4.21Å; I181-W183 HydrophobicContact CG2-CG 4.34Å; I181-W183 HydrophobicContact CG2-CH2 4.31Å; I181-W183 HydrophobicContact CG2-CZ2 3.99Å; I181-W183 HydrophobicContact CG2-CZ3 4.41Å; I181-W183 PolarHBondContact O-N 3.38Å; I181-I186 HydrophobicContact CG2-CD1 3.83Å; I181-F194 HydrophobicContact CD1-CD1 3.9Å; I181-F194 HydrophobicContact CG1-CD1 4.43Å; I181-F194 HydrophobicContact CG2-CB 4.02Å; I181-F194 HydrophobicContact CG2-CD1 3.91Å; I181-F194 HydrophobicContact CG2-CG 4.06Å; I181-I230 HydrophobicContact CD1-CG1 4.02Å; I181-I230 HydrophobicContact CD1-CG2 4.36Å
182	V	97.9	Very high	95.7	Very high	27 Å²	27	64.6 Å²	64.6	16%	0.164	32%	0.321	C	S	.	.			trans	-98.1	83.4	178.8	-168.2	0	0	0	0	108.8	D184 R185 T229 V231	V182-D184 VanDerWaalsContact C-N 3.28Å; V182-D184 PolarHBondContact O-N 3.12Å; V182-R185 HydrophobicContact CB-CG 4.42Å; V182-R185 HydrophobicContact CG1-CB 4.46Å; V182-R185 VanDerWaalsContact CG1-CD 3.5Å; V182-R185 HydrophobicContact CG1-CG 3.84Å; V182-R185 WeakPolarHBondContact O-CB 3.49Å; V182-R185 PolarHBondContact O-N 3.05Å; V182-T229 PolarHBondContact N-O 3.4Å; V182-V231 HydrophobicContact CG2-CB 4.46Å; V182-V231 HydrophobicContact CG2-CG2 3.74Å
183	W	97.6	Very high	95.7	Very high	115 Å²	115	64 Å²	64	44%	0.436	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-53.7	-39.2	-170.5	-61.7	96.1	0	0	0	114.6	I181 R185 I186 E191 F194	I181-W183 HydrophobicContact CB-CZ2 4.21Å; I181-W183 HydrophobicContact CG2-CD2 3.87Å; I181-W183 HydrophobicContact CG2-CE3 4.21Å; I181-W183 HydrophobicContact CG2-CG 4.34Å; I181-W183 HydrophobicContact CG2-CH2 4.31Å; I181-W183 HydrophobicContact CG2-CZ2 3.99Å; I181-W183 HydrophobicContact CG2-CZ3 4.41Å; I181-W183 PolarHBondContact O-N 3.38Å; W183-R185 PolarHBondContact O-N 2.97Å; W183-I186 HydrophobicContact CD2-CD1 4.23Å; W183-I186 HydrophobicContact CE3-CD1 3.59Å; W183-I186 HydrophobicContact CZ3-CD1 4.13Å; W183-I186 WeakPolarHBondContact O-CB 3.35Å; W183-I186 PolarHBondContact O-N 2.85Å; W183-I186 VanDerWaalsContact O-N 3.09Å; W183-E191 HydrophobicContact CE3-CB 4.15Å; W183-E191 HydrophobicContact CE3-CG 4.48Å; W183-E191 HydrophobicContact CZ3-CB 4Å; W183-E191 WeakPolarHBondContact CZ3-O 3.43Å; W183-F194 HydrophobicContact CH2-CB 3.9Å; W183-F194 WeakPolarHBondContact CH2-O 3.26Å; W183-F194 HydrophobicContact CZ3-CB 3.96Å
184	D	97.2	Very high	95.9	Very high	158 Å²	158	61.3 Å²	61.3	85%	0.845	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.9	-13.2	-179.4	-60.2	-19.5	0	0	0	114.1	V182	V182-D184 VanDerWaalsContact C-N 3.28Å; V182-D184 PolarHBondContact O-N 3.12Å
185	R	97.3	Very high	95.8	Very high	71 Å²	71	62.7 Å²	62.7	27%	0.268	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-102.2	-0.1	-179.3	-61.6	173.3	-179.2	-171.8	-14.2	112.8	V182 W183 Q223 N224 E227 P228 T229	V182-R185 HydrophobicContact CB-CG 4.42Å; V182-R185 HydrophobicContact CG1-CB 4.46Å; V182-R185 VanDerWaalsContact CG1-CD 3.5Å; V182-R185 HydrophobicContact CG1-CG 3.84Å; V182-R185 WeakPolarHBondContact O-CB 3.49Å; V182-R185 PolarHBondContact O-N 3.05Å; W183-R185 PolarHBondContact O-N 2.97Å; R185-Q223 CarbonylContact O-C 3.53Å; R185-Q223 WeakPolarHBondContact O-CA 3.35Å; R185-N224 PolarHBondContact O-N 3.18Å; R185-E227 HydrophobicContact CG-CB 4.43Å; R185-E227 IonicContact CZ-OE2 3.94Å; R185-E227 IonicContact NH1-OE2 3.41Å; R185-E227 PolarHBondContact NH1-OE2 2.87Å; R185-E227 IonicContact NH2-OE2 3.54Å; R185-E227 PolarHBondContact NH2-OE2 3.02Å; R185-P228 WeakPolarHBondContact CD-O 3.36Å; R185-P228 PolarHBondContact NH1-O 3.24Å; R185-T229 HydrophobicContact CB-CG2 4.21Å; R185-T229 WeakPolarHBondContact O-CG2 3.3Å
186	I	97	Very high	95.4	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.041	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-83.3	141	178.6	-58.1	168.6	0	0	0	108.6	I181 W183 E188 R190 E191 F194 F222 T229	I181-I186 HydrophobicContact CG2-CD1 3.83Å; W183-I186 HydrophobicContact CD2-CD1 4.23Å; W183-I186 HydrophobicContact CE3-CD1 3.59Å; W183-I186 HydrophobicContact CZ3-CD1 4.13Å; W183-I186 WeakPolarHBondContact O-CB 3.35Å; W183-I186 PolarHBondContact O-N 2.85Å; W183-I186 VanDerWaalsContact O-N 3.09Å; I186-E188 PolarHBondContact O-N 3.47Å; I186-R190 HydrophobicContact CG2-CB 3.84Å; I186-E191 HydrophobicContact CG2-CG 4.48Å; I186-F194 HydrophobicContact CB-CE2 4.43Å; I186-F194 HydrophobicContact CD1-CB 4.49Å; I186-F194 HydrophobicContact CD1-CD2 3.52Å; I186-F194 HydrophobicContact CD1-CE2 3.74Å; I186-F194 HydrophobicContact CD1-CG 3.94Å; I186-F194 HydrophobicContact CD1-CZ 4.31Å; I186-F194 HydrophobicContact CG1-CD2 4.16Å; I186-F194 HydrophobicContact CG1-CE2 3.83Å; I186-F194 HydrophobicContact CG1-CZ 4.2Å; I186-F194 HydrophobicContact CG2-CD2 4.15Å; I186-F194 HydrophobicContact CG2-CE2 3.7Å; I186-F222 HydrophobicContact CG2-CB 4.42Å; I186-T229 HydrophobicContact CG1-CG2 3.88Å
187	L	94.3	Very high	94.6	Very high	61 Å²	61	62.6 Å²	62.6	32%	0.319	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-56.2	135.5	170.9	-73.5	168.3	0	0	0	110.7	G189 R190 F222 N224	L187-G189 PolarHBondContact O-N 2.89Å; L187-R190 HydrophobicContact CB-CB 4.29Å; L187-R190 HydrophobicContact CB-CG 3.92Å; L187-R190 VanDerWaalsContact O-CB 3.31Å; L187-R190 WeakPolarHBondContact O-CB 3.38Å; L187-R190 PolarHBondContact O-N 3.38Å; L187-F222 WeakPolarHBondContact CG-O 3.5Å; L187-F222 PolarHBondContact N-O 3.47Å; L187-N224 HydrophobicContact CD2-CB 3.96Å; L187-N224 HydrophobicContact CG-CB 4.4Å
188	E	94.3	Very high	93.8	Very high	183 Å²	183	61 Å²	61	86%	0.855	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	127.2	-178.3	-174	177.6	179.3	0	0	110.8	I186	I186-E188 PolarHBondContact O-N 3.47Å
189	G	92	Very high	92.7	Very high	35 Å²	35	62.7 Å²	62.7	36%	0.361	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-0.5	-177.5	0	0	0	0	0	114.8	L187 E191 H192	L187-G189 PolarHBondContact O-N 2.89Å; G189-E191 WeakPolarHBondContact CA-OE2 3.35Å; G189-E191 PolarHBondContact N-OE1 3.01Å; G189-E191 PolarHBondContact N-OE2 2.78Å; G189-H192 PolarHBondContact O-CE1 3.43Å; G189-H192 PolarHBondContact O-ND1 3.03Å
190	R	94.6	Very high	91.3	Very high	45 Å²	45	66.9 Å²	66.9	17%	0.17	34%	0.339	C	S	.	.			trans	-103.8	4.4	176.3	-58.9	-55.6	-170.2	-110.9	-0.1	114.5	E48 N53 I186 L187 H192 N193 F222	E48-R190 WeakPolarHBondContact OE1-CD 3.25Å; E48-R190 IonicContact OE1-CZ 2.89Å; E48-R190 IonicContact OE1-NE 3.86Å; E48-R190 PolarHBondContact OE1-NE 2.95Å; E48-R190 IonicContact OE1-NH2 2.59Å; E48-R190 PolarHBondContact OE1-NH2 3.02Å; E48-R190 IonicContact OE2-CZ 3.74Å; E48-R190 IonicContact OE2-NE 3.53Å; E48-R190 PolarHBondContact OE2-NE 3.06Å; E48-R190 IonicContact OE2-NH2 3.82Å; E48-R190 PolarHBondContact OE2-NH2 3.4Å; N53-R190 PolarHBondContact OD1-NH1 3.05Å; N53-R190 VanDerWaalsContact OD1-NH1 3.13Å; I186-R190 HydrophobicContact CG2-CB 3.84Å; L187-R190 HydrophobicContact CB-CB 4.29Å; L187-R190 HydrophobicContact CB-CG 3.92Å; L187-R190 VanDerWaalsContact O-CB 3.31Å; L187-R190 WeakPolarHBondContact O-CB 3.38Å; L187-R190 PolarHBondContact O-N 3.38Å; R190-H192 PolarHBondContact O-N 3.11Å; R190-H192 VanDerWaalsContact O-N 3.16Å; R190-N193 WeakPolarHBondContact O-CB 3.26Å; R190-N193 PolarHBondContact O-N 2.93Å; R190-N193 VanDerWaalsContact O-N 3.09Å; R190-F222 HydrophobicContact CB-CB 4.06Å; R190-F222 HydrophobicContact CB-CD1 4.19Å; R190-F222 HydrophobicContact CB-CG 4.21Å; R190-F222 HydrophobicContact CG-CD1 4.08Å
191	E	94.3	Very high	89.8	Confident	74 Å²	74	61.6 Å²	61.6	35%	0.346	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-58.9	-32.4	179.3	-54.8	82.8	176.7	0	0	111.3	W183 I186 G189 N193 F194	W183-E191 HydrophobicContact CE3-CB 4.15Å; W183-E191 HydrophobicContact CE3-CG 4.48Å; W183-E191 HydrophobicContact CZ3-CB 4Å; W183-E191 WeakPolarHBondContact CZ3-O 3.43Å; I186-E191 HydrophobicContact CG2-CG 4.48Å; G189-E191 WeakPolarHBondContact CA-OE2 3.35Å; G189-E191 PolarHBondContact N-OE1 3.01Å; G189-E191 PolarHBondContact N-OE2 2.78Å; E191-N193 PolarHBondContact O-N 3.23Å; E191-F194 PolarHBondContact O-N 2.89Å
192	H	90.5	Very high	88.6	Confident	56 Å²	56	62.1 Å²	62.1	26%	0.259	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-64	-21	-179.8	70.8	-86.3	0	0	0	114.4	N53 G189 R190 F194 N195	N53-H192 PolarHBondContact OD1-CE1 2.7Å; G189-H192 PolarHBondContact O-CE1 3.43Å; G189-H192 PolarHBondContact O-ND1 3.03Å; R190-H192 PolarHBondContact O-N 3.11Å; R190-H192 VanDerWaalsContact O-N 3.16Å; H192-F194 PolarHBondContact O-N 3.02Å; H192-N195 WeakPolarHBondContact CA-ND2 3.42Å; H192-N195 PolarHBondContact O-N 2.89Å; H192-N195 PolarHBondContact O-ND2 3.34Å; H192-N195 VanDerWaalsContact O-ND2 3.07Å
193	N	93.5	Very high	87.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-72.2	-10.4	174.8	-66	-25.7	0	0	0	112.8	L54 E56 G57 R190 E191 F222	L54-N193 PolarHBondContact O-OD1 2.96Å; E56-N193 WeakPolarHBondContact CA-OD1 3.48Å; E56-N193 PolarHBondContact N-OD1 2.86Å; G57-N193 PolarHBondContact N-OD1 2.92Å; R190-N193 WeakPolarHBondContact O-CB 3.26Å; R190-N193 PolarHBondContact O-N 2.93Å; R190-N193 VanDerWaalsContact O-N 3.09Å; E191-N193 PolarHBondContact O-N 3.23Å; N193-F222 HydrophobicContact CB-CD2 4.11Å; N193-F222 HydrophobicContact CB-CE2 3.77Å; N193-F222 HydrophobicContact CB-CZ 4.19Å; N193-F222 VanDerWaalsContact ND2-CE1 3.33Å; N193-F222 WeakPolarHBondContact ND2-CE1 3.47Å; N193-F222 WeakPolarHBondContact ND2-CZ 3.3Å
194	F	95.6	Very high	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-111.2	24.4	176.8	-58.6	-96.4	0	0	0	110.9	R175 I181 W183 I186 E191 H192 Y217 A221 F222 T229 I230	R175-F194 VanDerWaalsContact NH1-C 3.33Å; R175-F194 PolarHBondContact NH1-O 3.11Å; R175-F194 PolarHBondContact NH2-O 2.76Å; I181-F194 HydrophobicContact CD1-CD1 3.9Å; I181-F194 HydrophobicContact CG1-CD1 4.43Å; I181-F194 HydrophobicContact CG2-CB 4.02Å; I181-F194 HydrophobicContact CG2-CD1 3.91Å; I181-F194 HydrophobicContact CG2-CG 4.06Å; W183-F194 HydrophobicContact CH2-CB 3.9Å; W183-F194 WeakPolarHBondContact CH2-O 3.26Å; W183-F194 HydrophobicContact CZ3-CB 3.96Å; I186-F194 HydrophobicContact CB-CE2 4.43Å; I186-F194 HydrophobicContact CD1-CB 4.49Å; I186-F194 HydrophobicContact CD1-CD2 3.52Å; I186-F194 HydrophobicContact CD1-CE2 3.74Å; I186-F194 HydrophobicContact CD1-CG 3.94Å; I186-F194 HydrophobicContact CD1-CZ 4.31Å; I186-F194 HydrophobicContact CG1-CD2 4.16Å; I186-F194 HydrophobicContact CG1-CE2 3.83Å; I186-F194 HydrophobicContact CG1-CZ 4.2Å; I186-F194 HydrophobicContact CG2-CD2 4.15Å; I186-F194 HydrophobicContact CG2-CE2 3.7Å; E191-F194 PolarHBondContact O-N 2.89Å; H192-F194 PolarHBondContact O-N 3.02Å; F194-Y217 HydrophobicContact CE1-CD2 4.16Å; F194-Y217 HydrophobicContact CE1-CE2 4.47Å; F194-Y217 HydrophobicContact CZ-CD2 4.48Å; F194-A221 WeakPolarHBondContact CZ-O 3.15Å; F194-F222 HydrophobicContact CE2-CB 4.08Å; F194-F222 AromaticContact CE2-CD2 3.78Å; F194-F222 HydrophobicContact CE2-CD2 3.78Å; F194-F222 HydrophobicContact CE2-CG 4.32Å; F194-F222 HydrophobicContact CZ-CB 4.29Å; F194-F222 AromaticContact CZ-CD2 3.88Å; F194-F222 HydrophobicContact CZ-CD2 3.88Å; F194-T229 HydrophobicContact CZ-CG2 4.48Å; F194-I230 HydrophobicContact CD1-CG1 4.4Å; F194-I230 HydrophobicContact CE1-CD1 3.99Å; F194-I230 HydrophobicContact CE1-CG1 3.79Å
195	N	90.9	Very high	86.3	Confident	72 Å²	72	54.9 Å²	54.9	39%	0.385	30%	0.295	S	S	.	.			trans	-73.7	146.2	172.1	-71.5	-33	0	0	0	110.9	H192	H192-N195 WeakPolarHBondContact CA-ND2 3.42Å; H192-N195 PolarHBondContact O-N 2.89Å; H192-N195 PolarHBondContact O-ND2 3.34Å; H192-N195 VanDerWaalsContact O-ND2 3.07Å
196	T	88.1	Confident	85.8	Confident	63 Å²	63	54.5 Å²	54.5	39%	0.387	31%	0.313	S	S	.	.			trans	-89.2	147.5	169.3	52.6	0	0	0	0	110.4	S171 R175	S171-T196 WeakPolarHBondContact O-CA 3.49Å; R175-T196 HydrophobicContact CG-CG2 3.89Å; R175-T196 VanDerWaalsContact NE-CG2 3.31Å
197	Y	81.4	Confident	85.5	Confident	30 Å²	30	54.3 Å²	54.3	12%	0.118	31%	0.312	C	S	.	.			trans	-110.3	136.2	169.6	-55.3	-68.4	0	0	0	110.9	E56 W167 S171 S173 V201	E56-Y197 WeakPolarHBondContact OE1-CE2 3.37Å; E56-Y197 PolarHBondContact OE1-OH 2.85Å; W167-Y197 HydrophobicContact CD2-CD2 4.39Å; W167-Y197 HydrophobicContact CD2-CE2 4.18Å; W167-Y197 HydrophobicContact CE3-CD2 4.09Å; W167-Y197 AromaticContact CE3-CE2 3.45Å; W167-Y197 HydrophobicContact CE3-CE2 3.45Å; W167-Y197 VanDerWaalsContact CE3-CE2 3.45Å; W167-Y197 HydrophobicContact CZ3-CE1 4.48Å; W167-Y197 AromaticContact CZ3-CE2 3.65Å; W167-Y197 HydrophobicContact CZ3-CE2 3.65Å; W167-Y197 AromaticContact CZ3-CZ 3.68Å; S171-Y197 PolarHBondContact O-N 3.43Å; S173-Y197 WeakPolarHBondContact CA-O 3.48Å; S173-Y197 WeakPolarHBondContact CB-O 3.48Å; S173-Y197 PolarHBondContact N-O 2.96Å; Y197-V201 HydrophobicContact CD1-CG1 4.05Å; Y197-V201 HydrophobicContact CG-CG1 4.05Å
198	D	80.3	Confident	85.6	Confident	86 Å²	86	55.9 Å²	55.9	46%	0.46	33%	0.326	S	S	.	.			trans	-75.9	173.4	178	71	29.1	0	0	0	112.6	T200 V201 S202	D198-T200 PolarHBondContact O-N 3.03Å; D198-T200 WeakPolarHBondContact OD1-CA 3.34Å; D198-T200 VanDerWaalsContact OD1-CB 3.25Å; D198-T200 WeakPolarHBondContact OD1-CB 3.45Å; D198-T200 PolarHBondContact OD1-N 3.42Å; D198-T200 PolarHBondContact OD1-OG1 2.96Å; D198-V201 PolarHBondContact O-N 3.32Å; D198-S202 PolarHBondContact O-N 3.17Å
199	D	74.6	Confident	85.7	Confident	107 Å²	107	47.9 Å²	47.9	57%	0.572	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-3.7	-177.3	-64.8	-0.3	0	0	0	113.9	I71 S173 S202	I71-D199 WeakPolarHBondContact CD1-O 3.22Å; S173-D199 PolarHBondContact OG-OD1 3.5Å; D199-S202 WeakPolarHBondContact CA-O 3.4Å
200	T	68.4	Low	85.9	Confident	90 Å²	90	47.1 Å²	47.1	55%	0.552	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.7	170.5	76.9	0	0	0	0	112.1	D198	D198-T200 PolarHBondContact O-N 3.03Å; D198-T200 WeakPolarHBondContact OD1-CA 3.34Å; D198-T200 VanDerWaalsContact OD1-CB 3.25Å; D198-T200 WeakPolarHBondContact OD1-CB 3.45Å; D198-T200 PolarHBondContact OD1-N 3.42Å; D198-T200 PolarHBondContact OD1-OG1 2.96Å
201	V	67.9	Low	86.1	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-43.2	-175.4	-178.6	0	0	0	0	111.6	N68 I70 Y197 D198	N68-V201 HydrophobicContact CB-CG2 4.22Å; I70-V201 CarbonylContact C-O 3.39Å; I70-V201 PolarHBondContact N-O 3.49Å; Y197-V201 HydrophobicContact CD1-CG1 4.05Å; Y197-V201 HydrophobicContact CG-CG1 4.05Å; D198-V201 PolarHBondContact O-N 3.32Å
202	S	72.9	Confident	86.2	Confident	21 Å²	21	44.1 Å²	44.1	15%	0.147	27%	0.265	C	S	.	.			trans	-130.9	133.6	-177.4	-176.6	0	0	0	0	110.3	D198 D199	D198-S202 PolarHBondContact O-N 3.17Å; D199-S202 WeakPolarHBondContact CA-O 3.4Å
203	S	79	Confident	86.5	Confident	57 Å²	57	41.5 Å²	41.5	40%	0.399	25%	0.252	S	S	.	.			trans	-107.4	129.8	177	-172.9	0	0	0	0	110.8	L205	S203-L205 PolarHBondContact O-N 3.17Å; S203-L205 PolarHBondContact OG-N 2.97Å
204	S	80.8	Confident	86.6	Confident	40 Å²	40	41.5 Å²	41.5	28%	0.28	25%	0.252	S	S	.	.			trans	-68.1	-11.4	170.3	65.5	0	0	0	0	113.5	G206 V207	S204-G206 PolarHBondContact O-N 3.14Å; S204-G206 PolarHBondContact OG-N 3.01Å; S204-V207 WeakPolarHBondContact O-CB 3.04Å; S204-V207 PolarHBondContact O-N 3.3Å
205	L	84.3	Confident	86.7	Confident	51 Å²	51	41.7 Å²	41.7	27%	0.267	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	27.4	-174.6	-60.6	174	0	0	0	113.3	F166 S203 V207 K254 R257 L258	F166-L205 HydrophobicContact CE1-CD1 4.48Å; S203-L205 PolarHBondContact O-N 3.17Å; S203-L205 PolarHBondContact OG-N 2.97Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 2.7Å; L205-K254 HydrophobicContact CD1-CB 4.11Å; L205-K254 WeakPolarHBondContact CD1-O 3.21Å; L205-R257 PolarHBondContact O-NH1 3.03Å; L205-L258 HydrophobicContact CD1-CB 4.05Å
206	G	86.3	Confident	87	Confident	62 Å²	62	38.2 Å²	38.2	64%	0.639	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	32.6	-176.9	0	0	0	0	0	113.3	S204 R257	S204-G206 PolarHBondContact O-N 3.14Å; S204-G206 PolarHBondContact OG-N 3.01Å; G206-R257 PolarHBondContact O-NH1 3.35Å
207	V	92.6	Very high	87.5	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.024	22%	0.216	C	C	.	.			trans	-109.6	134.5	174.6	-176.6	0	0	0	0	108.9	R172 S204 L205 L253 K254 R257	R172-V207 PolarHBondContact NH1-O 3.12Å; R172-V207 VanDerWaalsContact NH1-O 3.16Å; R172-V207 PolarHBondContact NH2-O 3.45Å; R172-V207 VanDerWaalsContact NH2-O 3.16Å; S204-V207 WeakPolarHBondContact O-CB 3.04Å; S204-V207 PolarHBondContact O-N 3.3Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 2.7Å; V207-L253 HydrophobicContact CG1-CD2 4.28Å; V207-L253 HydrophobicContact CG2-CD2 3.87Å; V207-L253 HydrophobicContact CG2-CG 4.03Å; V207-K254 HydrophobicContact CB-CD 4.5Å; V207-K254 HydrophobicContact CB-CG 3.94Å; V207-K254 HydrophobicContact CG1-CG 4.24Å; V207-K254 HydrophobicContact CG2-CG 3.72Å; V207-R257 VanDerWaalsContact CG2-NH1 3.28Å
208	P	95.3	Very high	88.2	Confident	95 Å²	95	34.9 Å²	34.9	62%	0.617	22%	0.218	S	C	*	.			trans	-55.8	163.3	175.9	-25.1	35.1	0	0	0	113	R172 D210	R172-P208 VanDerWaalsContact NH1-C 3.35Å; R172-P208 PolarHBondContact NH1-O 3.48Å; P208-D210 PolarHBondContact O-N 3.24Å
209	Y	96.4	Very high	88.9	Confident	14 Å²	14	34.7 Å²	34.7	6%	0.055	21%	0.213	C	C	.	.			trans	-60.9	133.4	170.6	-167.2	-84.5	0	0	0	110.5	E169 Q170 R175 Y178 V179 Y211 H216	E169-Y209 HydrophobicContact CG-CD2 4.5Å; E169-Y209 HydrophobicContact CG-CE1 4.4Å; E169-Y209 HydrophobicContact CG-CE2 4.21Å; E169-Y209 WeakPolarHBondContact O-CE2 3.15Å; Q170-Y209 WeakPolarHBondContact CA-OH 3.4Å; R175-Y209 HydrophobicContact CB-CE2 3.73Å; Y178-Y209 HydrophobicContact CD1-CD1 4.09Å; Y178-Y209 AromaticContact CD1-CG 3.98Å; Y178-Y209 HydrophobicContact CD1-CG 3.98Å; Y178-Y209 HydrophobicContact CD2-CD1 4.26Å; Y178-Y209 AromaticContact CD2-CD2 3.67Å; Y178-Y209 HydrophobicContact CD2-CD2 3.67Å; Y178-Y209 HydrophobicContact CD2-CE2 4.46Å; Y178-Y209 AromaticContact CD2-CG 3.55Å; Y178-Y209 HydrophobicContact CD2-CG 3.55Å; Y178-Y209 HydrophobicContact CE1-CG 4.4Å; Y178-Y209 VanDerWaalsContact CE2-CB 3.44Å; Y178-Y209 HydrophobicContact CE2-CD2 4.23Å; Y178-Y209 HydrophobicContact CE2-CG 4.02Å; Y178-Y209 AromaticContact CG-CD1 3.77Å; Y178-Y209 HydrophobicContact CG-CD1 3.77Å; Y178-Y209 HydrophobicContact CG-CD2 4.02Å; Y178-Y209 HydrophobicContact CG-CE1 4.46Å; Y178-Y209 AromaticContact CG-CG 3.52Å; Y178-Y209 HydrophobicContact CG-CG 3.52Å; Y178-Y209 VanDerWaalsContact CZ-CB 3.47Å; V179-Y209 HydrophobicContact CG1-CE1 4.39Å; Y209-Y211 HydrophobicContact CD1-CD1 4.28Å; Y209-Y211 HydrophobicContact CD1-CE1 4.25Å; Y209-Y211 HydrophobicContact CD1-CG 4.47Å; Y209-Y211 AromaticContact CE1-CD1 3.94Å; Y209-Y211 HydrophobicContact CE1-CD1 3.94Å; Y209-Y211 HydrophobicContact CE1-CE1 4.01Å; Y209-Y211 HydrophobicContact CE1-CG 4.48Å; Y209-H216 AromaticContact CE1-CD2 3.76Å; Y209-H216 AromaticContact CE1-NE2 3.6Å; Y209-H216 AromaticContact CZ-CD2 3.79Å; Y209-H216 AromaticContact CZ-NE2 3.54Å; Y209-H216 PolarHBondContact OH-CD2 3.15Å; Y209-H216 VanDerWaalsContact OH-CD2 3.27Å; Y209-H216 PolarHBondContact OH-NE2 3.34Å
210	D	97.4	Very high	89.9	Confident	20 Å²	20	31 Å²	31	11%	0.107	20%	0.197	C	C	.	.			trans	-117.5	101.4	-175.4	-176.1	16.9	0	0	0	113	E169 P208 N212 S213 S248 S250	E169-D210 PolarHBondContact OE1-N 2.9Å; P208-D210 PolarHBondContact O-N 3.24Å; D210-N212 PolarHBondContact O-N 3.3Å; D210-N212 WeakPolarHBondContact OD1-CA 3.39Å; D210-N212 WeakPolarHBondContact OD1-CB 3.25Å; D210-N212 PolarHBondContact OD1-N 3.12Å; D210-S213 VanDerWaalsContact CG-N 3.35Å; D210-S213 WeakPolarHBondContact O-CB 3.1Å; D210-S213 PolarHBondContact O-N 2.59Å; D210-S213 VanDerWaalsContact O-N 3.17Å; D210-S213 PolarHBondContact OD2-N 3.31Å; D210-S248 WeakPolarHBondContact OD2-CB 3.48Å; D210-S248 PolarHBondContact OD2-OG 3.07Å; D210-S250 WeakPolarHBondContact OD2-CB 3.17Å; D210-S250 PolarHBondContact OD2-OG 3.15Å
211	Y	97.8	Very high	91.2	Very high	19 Å²	19	26.7 Å²	26.7	8%	0.075	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.3	173.2	-63	-74.7	0	0	0	113.5	Y178 V179 Y209 T232 F237 I241	Y178-Y211 WeakPolarHBondContact CA-OH 3.47Å; Y178-Y211 WeakPolarHBondContact CB-OH 3.38Å; Y178-Y211 HydrophobicContact CD1-CE2 4.28Å; Y178-Y211 PolarHBondContact O-OH 3.11Å; V179-Y211 HydrophobicContact CG1-CE1 3.98Å; Y209-Y211 HydrophobicContact CD1-CD1 4.28Å; Y209-Y211 HydrophobicContact CD1-CE1 4.25Å; Y209-Y211 HydrophobicContact CD1-CG 4.47Å; Y209-Y211 AromaticContact CE1-CD1 3.94Å; Y209-Y211 HydrophobicContact CE1-CD1 3.94Å; Y209-Y211 HydrophobicContact CE1-CE1 4.01Å; Y209-Y211 HydrophobicContact CE1-CG 4.48Å; Y211-T232 HydrophobicContact CD1-CG2 4Å; Y211-T232 HydrophobicContact CE1-CG2 3.94Å; Y211-F237 HydrophobicContact CD1-CB 3.89Å; Y211-F237 HydrophobicContact CD1-CG 4.31Å; Y211-F237 HydrophobicContact CD2-CB 4.12Å; Y211-F237 AromaticContact CD2-CD1 3.91Å; Y211-F237 HydrophobicContact CD2-CD1 3.91Å; Y211-F237 AromaticContact CD2-CD2 3.64Å; Y211-F237 HydrophobicContact CD2-CD2 3.64Å; Y211-F237 HydrophobicContact CD2-CE1 4.22Å; Y211-F237 AromaticContact CD2-CE2 3.97Å; Y211-F237 HydrophobicContact CD2-CE2 3.97Å; Y211-F237 AromaticContact CD2-CG 3.62Å; Y211-F237 HydrophobicContact CD2-CG 3.62Å; Y211-F237 HydrophobicContact CD2-CZ 4.26Å; Y211-F237 HydrophobicContact CE1-CB 4.29Å; Y211-F237 AromaticContact CE2-CD2 3.56Å; Y211-F237 HydrophobicContact CE2-CD2 3.56Å; Y211-F237 AromaticContact CE2-CE2 3.85Å; Y211-F237 HydrophobicContact CE2-CE2 3.85Å; Y211-F237 HydrophobicContact CE2-CG 4.01Å; Y211-F237 HydrophobicContact CG-CB 3.78Å; Y211-F237 HydrophobicContact CG-CD1 4.1Å; Y211-F237 HydrophobicContact CG-CD2 4.2Å; Y211-F237 AromaticContact CG-CG 3.77Å; Y211-F237 HydrophobicContact CG-CG 3.77Å; Y211-I241 HydrophobicContact CD1-CG2 3.79Å; Y211-I241 HydrophobicContact CG-CG2 4.39Å; Y211-I241 VanDerWaalsContact O-CA 3.3Å; Y211-I241 WeakPolarHBondContact O-CA 2.97Å; Y211-I241 WeakPolarHBondContact O-CG2 3.33Å
212	N	96.1	Very high	92.4	Very high	37 Å²	37	26.8 Å²	26.8	20%	0.198	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	5.8	-178.1	-161.7	56.9	0	0	0	112.6	D210 M214 V240 Q243 S248 M525	D210-N212 PolarHBondContact O-N 3.3Å; D210-N212 WeakPolarHBondContact OD1-CA 3.39Å; D210-N212 WeakPolarHBondContact OD1-CB 3.25Å; D210-N212 PolarHBondContact OD1-N 3.12Å; N212-M214 PolarHBondContact O-N 2.88Å; N212-V240 HydrophobicContact CB-CG1 4.12Å; N212-Q243 VanDerWaalsContact O-CG 3.24Å; N212-Q243 WeakPolarHBondContact O-CG 3.1Å; N212-Q243 PolarHBondContact O-NE2 3.48Å; N212-S248 WeakPolarHBondContact O-CB 3.33Å; N212-M525 WeakPolarHBondContact ND2-CE 3.28Å; N212-M525 PolarHBondContact ND2-SD 3.23Å; N212-M525 VanDerWaalsContact ND2-SD 3.37Å
213	S	97.4	Very high	93.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.177	C	C	.	.			trans	-60.6	136.2	176.7	175.4	0	0	0	0	110.3	D210 M215 H216 D251	D210-S213 VanDerWaalsContact CG-N 3.35Å; D210-S213 WeakPolarHBondContact O-CB 3.1Å; D210-S213 PolarHBondContact O-N 2.59Å; D210-S213 VanDerWaalsContact O-N 3.17Å; D210-S213 PolarHBondContact OD2-N 3.31Å; S213-M215 PolarHBondContact O-N 3.44Å; S213-M215 WeakPolarHBondContact OG-CB 3.44Å; S213-M215 PolarHBondContact OG-N 2.85Å; S213-M215 VanDerWaalsContact OG-N 3.07Å; S213-H216 WeakPolarHBondContact O-CB 3.38Å; S213-H216 PolarHBondContact O-N 2.95Å; S213-H216 VanDerWaalsContact O-N 3.12Å; S213-D251 WeakPolarHBondContact CA-OD2 3.47Å; S213-D251 WeakPolarHBondContact CB-OD1 3.47Å; S213-D251 PolarHBondContact OG-OD1 3.14Å
214	M	95.8	Very high	94.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17	172.4	76.1	-170.3	-49.3	0	0	112.6	A154 E157 H158 L161 N212 R244 F247 D251	A154-M214 HydrophobicContact CB-CE 4.09Å; A154-M214 WeakPolarHBondContact O-CE 3.41Å; E157-M214 HydrophobicContact CB-CE 3.47Å; E157-M214 VanDerWaalsContact CB-CE 3.47Å; E157-M214 HydrophobicContact CB-SD 4.2Å; H158-M214 HydrophobicContact CB-CE 4.42Å; H158-M214 PolarHBondContact ND1-O 2.96Å; L161-M214 HydrophobicContact CD1-CG 3.85Å; L161-M214 HydrophobicContact CD1-SD 3.62Å; N212-M214 PolarHBondContact O-N 2.88Å; M214-R244 PolarHBondContact O-NH1 2.72Å; M214-F247 HydrophobicContact SD-CB 4.37Å; M214-F247 HydrophobicContact SD-CD1 3.3Å; M214-F247 WeakPolarHBondContact SD-CD1 3.35Å; M214-F247 HydrophobicContact SD-CE1 3.68Å; M214-F247 HydrophobicContact SD-CG 4Å; M214-D251 PolarHBondContact N-OD2 3.05Å
215	M	97.1	Very high	94.6	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.02	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	6.4	173.8	-52.9	-53	-63.1	0	0	112.1	H158 L161 H162 H168 E169 Q170 S213	H158-M215 HydrophobicContact CB-SD 4.31Å; H158-M215 PolarHBondContact ND1-SD 3.47Å; H158-M215 VanDerWaalsContact ND1-SD 3.38Å; L161-M215 HydrophobicContact CB-CE 4.16Å; L161-M215 HydrophobicContact CB-SD 3.6Å; L161-M215 HydrophobicContact CD1-CG 3.78Å; L161-M215 HydrophobicContact CD1-SD 3.49Å; L161-M215 WeakPolarHBondContact CD1-SD 3.43Å; L161-M215 HydrophobicContact CG-SD 4.19Å; H162-M215 WeakPolarHBondContact CE1-CE 3.34Å; H162-M215 WeakPolarHBondContact ND1-CE 3.4Å; H162-M215 WeakPolarHBondContact NE2-CE 3.35Å; H168-M215 CarbonylContact C-O 3.48Å; H168-M215 WeakPolarHBondContact CA-O 3.26Å; H168-M215 WeakPolarHBondContact CB-O 3.29Å; H168-M215 PolarHBondContact CD2-O 2.84Å; H168-M215 VanDerWaalsContact CD2-O 3.23Å; E169-M215 PolarHBondContact N-O 3.38Å; Q170-M215 PolarHBondContact OE1-O 3.06Å; S213-M215 PolarHBondContact O-N 3.44Å; S213-M215 WeakPolarHBondContact OG-CB 3.44Å; S213-M215 PolarHBondContact OG-N 2.85Å; S213-M215 VanDerWaalsContact OG-N 3.07Å
216	H	98.1	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-93.3	135.2	175	-161.4	-57.3	0	0	0	110.3	E169 Y209 S213 G242 R244	E169-H216 HydrophobicContact CB-CB 4.01Å; Y209-H216 AromaticContact CE1-CD2 3.76Å; Y209-H216 AromaticContact CE1-NE2 3.6Å; Y209-H216 AromaticContact CZ-CD2 3.79Å; Y209-H216 AromaticContact CZ-NE2 3.54Å; Y209-H216 PolarHBondContact OH-CD2 3.15Å; Y209-H216 VanDerWaalsContact OH-CD2 3.27Å; Y209-H216 PolarHBondContact OH-NE2 3.34Å; S213-H216 WeakPolarHBondContact O-CB 3.38Å; S213-H216 PolarHBondContact O-N 2.95Å; S213-H216 VanDerWaalsContact O-N 3.12Å; H216-G242 WeakPolarHBondContact O-CA 3.43Å; H216-R244 PolarHBondContact O-NH1 3.38Å; H216-R244 VanDerWaalsContact O-NH1 3.11Å
217	Y	97.8	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-58.1	150.5	169.5	-78.9	9.7	0	0	0	112.8	F44 E56 H168 Q170 F194 A221 F222 I230 G242	F44-Y217 HydrophobicContact CD1-CD1 4.37Å; F44-Y217 AromaticContact CD1-CE1 3.72Å; F44-Y217 HydrophobicContact CD1-CE1 3.72Å; F44-Y217 AromaticContact CD2-CD1 3.95Å; F44-Y217 HydrophobicContact CD2-CD1 3.95Å; F44-Y217 HydrophobicContact CD2-CE1 4.1Å; F44-Y217 HydrophobicContact CD2-CG 4.35Å; F44-Y217 AromaticContact CE1-CD1 3.73Å; F44-Y217 HydrophobicContact CE1-CD1 3.73Å; F44-Y217 AromaticContact CE1-CE1 3.14Å; F44-Y217 HydrophobicContact CE1-CE1 3.14Å; F44-Y217 AromaticContact CE1-CZ 3.92Å; F44-Y217 AromaticContact CE2-CD1 3.19Å; F44-Y217 HydrophobicContact CE2-CD1 3.19Å; F44-Y217 AromaticContact CE2-CE1 3.55Å; F44-Y217 HydrophobicContact CE2-CE1 3.55Å; F44-Y217 AromaticContact CE2-CG 3.88Å; F44-Y217 HydrophobicContact CE2-CG 3.88Å; F44-Y217 HydrophobicContact CG-CD1 4.49Å; F44-Y217 HydrophobicContact CG-CE1 4.19Å; F44-Y217 AromaticContact CZ-CD1 3.1Å; F44-Y217 HydrophobicContact CZ-CD1 3.1Å; F44-Y217 AromaticContact CZ-CE1 3.06Å; F44-Y217 HydrophobicContact CZ-CE1 3.06Å; F44-Y217 HydrophobicContact CZ-CG 4.2Å; E56-Y217 WeakPolarHBondContact CA-OH 3.48Å; E56-Y217 VanDerWaalsContact CB-OH 3.27Å; E56-Y217 WeakPolarHBondContact CB-OH 3.38Å; E56-Y217 PolarHBondContact O-OH 3.38Å; H168-Y217 AromaticContact CD2-CE1 3.69Å; H168-Y217 AromaticContact CE1-CE1 3.6Å; H168-Y217 AromaticContact CG-CE1 3.8Å; H168-Y217 AromaticContact ND1-CE1 3.76Å; H168-Y217 AromaticContact NE2-CE1 3.53Å; Q170-Y217 VanDerWaalsContact CD-CD1 3.45Å; Q170-Y217 HydrophobicContact CG-CD2 3.97Å; Q170-Y217 HydrophobicContact CG-CG 3.99Å; Q170-Y217 VanDerWaalsContact NE2-CD2 3.35Å; Q170-Y217 VanDerWaalsContact NE2-CE2 3.33Å; Q170-Y217 VanDerWaalsContact NE2-CZ 3.26Å; F194-Y217 HydrophobicContact CE1-CD2 4.16Å; F194-Y217 HydrophobicContact CE1-CE2 4.47Å; F194-Y217 HydrophobicContact CZ-CD2 4.48Å; Y217-A221 HydrophobicContact CD2-CB 3.55Å; Y217-A221 HydrophobicContact CE2-CB 4.29Å; Y217-A221 HydrophobicContact CG-CB 3.88Å; Y217-F222 HydrophobicContact CD2-CE2 4.33Å; Y217-F222 HydrophobicContact CE2-CD2 4.01Å; Y217-F222 AromaticContact CE2-CE2 3.49Å; Y217-F222 HydrophobicContact CE2-CE2 3.49Å; Y217-F222 VanDerWaalsContact CE2-CE2 3.49Å; Y217-F222 AromaticContact CZ-CE2 3.71Å; Y217-F222 WeakPolarHBondContact OH-CE2 2.94Å; Y217-I230 HydrophobicContact CD2-CD1 4.18Å; Y217-I230 HydrophobicContact CG-CD1 4.38Å; Y217-G242 PolarHBondContact O-N 3.06Å
218	S	96.2	Very high	95.5	Very high	22 Å²	22	36.9 Å²	36.9	15%	0.154	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68.7	163.9	164.6	82.5	0	0	0	0	111	A220 A221	S218-A220 PolarHBondContact O-N 3.12Å; S218-A220 VanDerWaalsContact O-N 3.14Å; S218-A220 PolarHBondContact OG-N 3.23Å; S218-A221 PolarHBondContact O-N 3.43Å; S218-A221 PolarHBondContact OG-N 3Å
219	K	95.9	Very high	95.6	Very high	82 Å²	82	32.3 Å²	32.3	36%	0.357	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.8	174.2	70.5	-177.2	-178.5	-175.6	0	113.8	P228 T229 I230 D239 I241	K219-P228 HydrophobicContact CB-CB 3.98Å; K219-P228 HydrophobicContact CG-CB 4.26Å; K219-P228 CarbonylContact O-C 3.57Å; K219-P228 WeakPolarHBondContact O-CA 3.45Å; K219-P228 VanDerWaalsContact O-CB 3.25Å; K219-P228 WeakPolarHBondContact O-CB 3.11Å; K219-T229 PolarHBondContact O-N 2.93Å; K219-T229 PolarHBondContact O-OG1 2.91Å; K219-I230 PolarHBondContact O-N 3.42Å; K219-D239 IonicContact NZ-OD1 3.9Å; K219-D239 PolarHBondContact NZ-OD1 3.21Å; K219-I241 HydrophobicContact CB-CD1 3.98Å; K219-I241 HydrophobicContact CB-CG1 4.44Å
220	A	94.3	Very high	95.7	Very high	29 Å²	29	31.8 Å²	31.8	24%	0.24	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0.4	-173.2	0	0	0	0	0	113.6	S218 F222 Q223	S218-A220 PolarHBondContact O-N 3.12Å; S218-A220 VanDerWaalsContact O-N 3.14Å; S218-A220 PolarHBondContact OG-N 3.23Å; A220-F222 PolarHBondContact O-N 3.46Å; A220-Q223 HydrophobicContact CB-CG 4.46Å; A220-Q223 WeakPolarHBondContact O-CB 3.45Å; A220-Q223 VanDerWaalsContact O-CG 3.3Å; A220-Q223 WeakPolarHBondContact O-CG 3.33Å; A220-Q223 PolarHBondContact O-N 3.32Å; A220-Q223 VanDerWaalsContact O-N 3.15Å
221	A	94.9	Very high	95.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	126.7	-177.5	0	0	0	0	0	111.4	F44 F194 Y217 S218 Q223 T229	F44-A221 HydrophobicContact CD2-CB 4.27Å; F194-A221 WeakPolarHBondContact CZ-O 3.15Å; Y217-A221 HydrophobicContact CD2-CB 3.55Å; Y217-A221 HydrophobicContact CE2-CB 4.29Å; Y217-A221 HydrophobicContact CG-CB 3.88Å; S218-A221 PolarHBondContact O-N 3.43Å; S218-A221 PolarHBondContact OG-N 3Å; A221-Q223 PolarHBondContact O-N 2.99Å; A221-Q223 VanDerWaalsContact O-N 3.12Å; A221-T229 WeakPolarHBondContact O-CB 3.45Å; A221-T229 WeakPolarHBondContact O-CG2 3.5Å; A221-T229 PolarHBondContact O-OG1 2.04Å
222	F	95	Very high	95.8	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	29.7	179.9	-48.4	-77.7	0	0	0	115.1	F44 E48 I186 L187 R190 N193 F194 Y217 A220	F44-F222 HydrophobicContact CB-CE1 4.14Å; F44-F222 HydrophobicContact CB-CE2 4.08Å; F44-F222 HydrophobicContact CB-CZ 3.69Å; F44-F222 HydrophobicContact CD1-CE2 4.47Å; F44-F222 HydrophobicContact CD1-CZ 4.21Å; F44-F222 HydrophobicContact CG-CE2 4.24Å; F44-F222 HydrophobicContact CG-CZ 4.13Å; E48-F222 HydrophobicContact CG-CD1 3.61Å; E48-F222 HydrophobicContact CG-CE1 3.53Å; E48-F222 VanDerWaalsContact OE1-CE1 3.22Å; E48-F222 WeakPolarHBondContact OE1-CE1 3.12Å; I186-F222 HydrophobicContact CG2-CB 4.42Å; L187-F222 WeakPolarHBondContact CG-O 3.5Å; L187-F222 PolarHBondContact N-O 3.47Å; R190-F222 HydrophobicContact CB-CB 4.06Å; R190-F222 HydrophobicContact CB-CD1 4.19Å; R190-F222 HydrophobicContact CB-CG 4.21Å; R190-F222 HydrophobicContact CG-CD1 4.08Å; N193-F222 HydrophobicContact CB-CD2 4.11Å; N193-F222 HydrophobicContact CB-CE2 3.77Å; N193-F222 HydrophobicContact CB-CZ 4.19Å; N193-F222 VanDerWaalsContact ND2-CE1 3.33Å; N193-F222 WeakPolarHBondContact ND2-CE1 3.47Å; N193-F222 WeakPolarHBondContact ND2-CZ 3.3Å; F194-F222 HydrophobicContact CE2-CB 4.08Å; F194-F222 AromaticContact CE2-CD2 3.78Å; F194-F222 HydrophobicContact CE2-CD2 3.78Å; F194-F222 HydrophobicContact CE2-CG 4.32Å; F194-F222 HydrophobicContact CZ-CB 4.29Å; F194-F222 AromaticContact CZ-CD2 3.88Å; F194-F222 HydrophobicContact CZ-CD2 3.88Å; Y217-F222 HydrophobicContact CD2-CE2 4.33Å; Y217-F222 HydrophobicContact CE2-CD2 4.01Å; Y217-F222 AromaticContact CE2-CE2 3.49Å; Y217-F222 HydrophobicContact CE2-CE2 3.49Å; Y217-F222 VanDerWaalsContact CE2-CE2 3.49Å; Y217-F222 AromaticContact CZ-CE2 3.71Å; Y217-F222 WeakPolarHBondContact OH-CE2 2.94Å; A220-F222 PolarHBondContact O-N 3.46Å
223	Q	94.1	Very high	95.9	Very high	54 Å²	54	36.1 Å²	36.1	25%	0.252	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-72	141.5	-177.8	74.4	179.6	28.4	0	0	112.6	R185 A220 A221 G225 T229	R185-Q223 CarbonylContact O-C 3.53Å; R185-Q223 WeakPolarHBondContact O-CA 3.35Å; A220-Q223 HydrophobicContact CB-CG 4.46Å; A220-Q223 WeakPolarHBondContact O-CB 3.45Å; A220-Q223 VanDerWaalsContact O-CG 3.3Å; A220-Q223 WeakPolarHBondContact O-CG 3.33Å; A220-Q223 PolarHBondContact O-N 3.32Å; A220-Q223 VanDerWaalsContact O-N 3.15Å; A221-Q223 PolarHBondContact O-N 2.99Å; A221-Q223 VanDerWaalsContact O-N 3.12Å; Q223-G225 PolarHBondContact NE2-O 3.44Å; Q223-T229 HydrophobicContact CB-CG2 3.8Å
224	N	91.7	Very high	95.9	Very high	103 Å²	103	40.4 Å²	40.4	55%	0.551	23%	0.231	S	C	*	.	S	Bend	trans	-97.5	106	166.2	-173.9	7.3	0	0	0	108.9	R185 L187	R185-N224 PolarHBondContact O-N 3.18Å; L187-N224 HydrophobicContact CD2-CB 3.96Å; L187-N224 HydrophobicContact CG-CB 4.4Å
225	G	91.6	Very high	96	Very high	58 Å²	58	45.3 Å²	45.3	60%	0.598	26%	0.263	S	S	*	.	S	Bend	trans	96.4	-141.5	-175.6	0	0	0	0	0	112.7	Q223	Q223-G225 PolarHBondContact NE2-O 3.44Å
226	S	89.8	Confident	95.9	Very high	100 Å²	100	49 Å²	49	70%	0.699	30%	0.295	S	S	*	.	S	Bend	trans	-113	-7	-175.3	60.6	0	0	0	0	114.3
227	E	96	Very high	95.8	Very high	99 Å²	99	52.4 Å²	52.4	46%	0.463	31%	0.31	S	S	.	.	S	Bend	trans	-89.9	141.2	-175	-72.3	-67.7	124.5	0	0	110.9	R185	R185-E227 HydrophobicContact CG-CB 4.43Å; R185-E227 IonicContact CZ-OE2 3.94Å; R185-E227 IonicContact NH1-OE2 3.41Å; R185-E227 PolarHBondContact NH1-OE2 2.87Å; R185-E227 IonicContact NH2-OE2 3.54Å; R185-E227 PolarHBondContact NH2-OE2 3.02Å
228	P	96.9	Very high	95.7	Very high	33 Å²	33	54 Å²	54	21%	0.214	32%	0.32	C	S	.	.			trans	-69.2	142.6	-173.4	28	-35.7	0	0	0	112.5	R185 K219 V231	R185-P228 WeakPolarHBondContact CD-O 3.36Å; R185-P228 PolarHBondContact NH1-O 3.24Å; K219-P228 HydrophobicContact CB-CB 3.98Å; K219-P228 HydrophobicContact CG-CB 4.26Å; K219-P228 CarbonylContact O-C 3.57Å; K219-P228 WeakPolarHBondContact O-CA 3.45Å; K219-P228 VanDerWaalsContact O-CB 3.25Å; K219-P228 WeakPolarHBondContact O-CB 3.11Å; P228-V231 HydrophobicContact CG-CG2 4.12Å
229	T	97.9	Very high	95.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-81.9	-31.8	172.3	49.3	0	0	0	0	112.1	V182 R185 I186 F194 K219 A221 Q223	V182-T229 PolarHBondContact N-O 3.4Å; R185-T229 HydrophobicContact CB-CG2 4.21Å; R185-T229 WeakPolarHBondContact O-CG2 3.3Å; I186-T229 HydrophobicContact CG1-CG2 3.88Å; F194-T229 HydrophobicContact CZ-CG2 4.48Å; K219-T229 PolarHBondContact O-N 2.93Å; K219-T229 PolarHBondContact O-OG1 2.91Å; A221-T229 WeakPolarHBondContact O-CB 3.45Å; A221-T229 WeakPolarHBondContact O-CG2 3.5Å; A221-T229 PolarHBondContact O-OG1 2.04Å; Q223-T229 HydrophobicContact CB-CG2 3.8Å
230	I	98.4	Very high	95.5	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.4	176.5	-50.7	-179.3	0	0	0	109.3	Q170 V179 I181 F194 Y217 K219 I241	Q170-I230 HydrophobicContact CB-CD1 4.39Å; Q170-I230 HydrophobicContact CG-CD1 4.08Å; V179-I230 HydrophobicContact CB-CG2 3.85Å; V179-I230 HydrophobicContact CG1-CG2 4Å; V179-I230 HydrophobicContact CG2-CG2 4.28Å; I181-I230 HydrophobicContact CD1-CG1 4.02Å; I181-I230 HydrophobicContact CD1-CG2 4.36Å; F194-I230 HydrophobicContact CD1-CG1 4.4Å; F194-I230 HydrophobicContact CE1-CD1 3.99Å; F194-I230 HydrophobicContact CE1-CG1 3.79Å; Y217-I230 HydrophobicContact CD2-CD1 4.18Å; Y217-I230 HydrophobicContact CG-CD1 4.38Å; K219-I230 PolarHBondContact O-N 3.42Å; I230-I241 HydrophobicContact CB-CD1 4.19Å; I230-I241 HydrophobicContact CG2-CD1 3.96Å
231	V	98.4	Very high	95.6	Very high	48 Å²	48	53.7 Å²	53.7	29%	0.291	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.5	174.5	178.8	0	0	0	0	108.8	V179 Q180 V182 P228	V179-V231 CarbonylContact C-O 3.51Å; V179-V231 WeakPolarHBondContact CA-O 3.41Å; Q180-V231 PolarHBondContact N-O 3.32Å; Q180-V231 PolarHBondContact O-N 3.02Å; V182-V231 HydrophobicContact CG2-CB 4.46Å; V182-V231 HydrophobicContact CG2-CG2 3.74Å; P228-V231 HydrophobicContact CG-CG2 4.12Å
232	T	98.4	Very high	95.7	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.025	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	136.9	175	64.4	0	0	0	0	110.4	V179 Y211 I234 F237 S238 I241	V179-T232 HydrophobicContact CG1-CG2 4.28Å; Y211-T232 HydrophobicContact CD1-CG2 4Å; Y211-T232 HydrophobicContact CE1-CG2 3.94Å; T232-I234 PolarHBondContact O-N 3.1Å; T232-I234 PolarHBondContact OG1-O 3.01Å; T232-F237 HydrophobicContact CG2-CB 4.07Å; T232-S238 WeakPolarHBondContact OG1-CA 3.35Å; T232-S238 PolarHBondContact OG1-N 3.25Å; T232-S238 PolarHBondContact OG1-OG 3.03Å; T232-S238 VanDerWaalsContact OG1-OG 3.09Å; T232-I241 HydrophobicContact CG2-CD1 4.07Å; T232-I241 HydrophobicContact CG2-CG1 4.45Å; T232-I241 HydrophobicContact CG2-CG2 3.96Å
233	K	98.5	Very high	95.7	Very high	115 Å²	115	53.6 Å²	53.6	50%	0.5	32%	0.319	S	S	.	.	S	Bend	trans	-67.1	-26.2	178.9	-69	-162.6	-167.3	169.9	0	113	D176 D177 Y178	D176-K233 WeakPolarHBondContact O-CE 3.48Å; D176-K233 PolarHBondContact O-NZ 3.07Å; D177-K233 WeakPolarHBondContact O-CD 3.22Å; D177-K233 PolarHBondContact O-NZ 3.34Å; Y178-K233 PolarHBondContact O-N 2.91Å
234	I	98	Very high	95.8	Very high	90 Å²	90	52.7 Å²	52.7	46%	0.462	31%	0.313	S	S	.	.	S	Bend	trans	-103.8	105.7	172.1	-61.9	169.4	0	0	0	107	T232 A236 F237	T232-I234 PolarHBondContact O-N 3.1Å; T232-I234 PolarHBondContact OG1-O 3.01Å; I234-A236 HydrophobicContact CG2-CB 4.31Å; I234-A236 PolarHBondContact O-N 3.36Å; I234-F237 HydrophobicContact CB-CD2 3.79Å; I234-F237 HydrophobicContact CB-CE2 4.11Å; I234-F237 HydrophobicContact CD1-CE2 4.13Å; I234-F237 HydrophobicContact CG2-CD2 3.73Å; I234-F237 HydrophobicContact CG2-CE2 3.77Å; I234-F237 PolarHBondContact O-N 3.01Å
235	P	96.5	Very high	96.1	Very high	103 Å²	103	48 Å²	48	67%	0.669	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-56.4	-26.8	-169.1	-29.7	36.1	0	0	0	115.3	F237 S238	P235-F237 PolarHBondContact O-N 3.32Å; P235-F237 VanDerWaalsContact O-N 3.12Å; P235-S238 WeakPolarHBondContact O-CB 3.24Å; P235-S238 PolarHBondContact O-N 3.28Å; P235-S238 VanDerWaalsContact O-N 3.07Å; P235-S238 PolarHBondContact O-OG 3.02Å
236	A	95.3	Very high	96.3	Very high	83 Å²	83	45.7 Å²	45.7	69%	0.686	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59.6	-20	178.1	0	0	0	0	0	114	I234	I234-A236 HydrophobicContact CG2-CB 4.31Å; I234-A236 PolarHBondContact O-N 3.36Å
237	F	96.6	Very high	96.7	Very high	71 Å²	71	41 Å²	41	31%	0.311	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-96.2	1.1	178.2	-61.5	-67.1	0	0	0	114	Y211 T232 I234 P235 D239 V240 I241	Y211-F237 HydrophobicContact CD1-CB 3.89Å; Y211-F237 HydrophobicContact CD1-CG 4.31Å; Y211-F237 HydrophobicContact CD2-CB 4.12Å; Y211-F237 AromaticContact CD2-CD1 3.91Å; Y211-F237 HydrophobicContact CD2-CD1 3.91Å; Y211-F237 AromaticContact CD2-CD2 3.64Å; Y211-F237 HydrophobicContact CD2-CD2 3.64Å; Y211-F237 HydrophobicContact CD2-CE1 4.22Å; Y211-F237 AromaticContact CD2-CE2 3.97Å; Y211-F237 HydrophobicContact CD2-CE2 3.97Å; Y211-F237 AromaticContact CD2-CG 3.62Å; Y211-F237 HydrophobicContact CD2-CG 3.62Å; Y211-F237 HydrophobicContact CD2-CZ 4.26Å; Y211-F237 HydrophobicContact CE1-CB 4.29Å; Y211-F237 AromaticContact CE2-CD2 3.56Å; Y211-F237 HydrophobicContact CE2-CD2 3.56Å; Y211-F237 AromaticContact CE2-CE2 3.85Å; Y211-F237 HydrophobicContact CE2-CE2 3.85Å; Y211-F237 HydrophobicContact CE2-CG 4.01Å; Y211-F237 HydrophobicContact CG-CB 3.78Å; Y211-F237 HydrophobicContact CG-CD1 4.1Å; Y211-F237 HydrophobicContact CG-CD2 4.2Å; Y211-F237 AromaticContact CG-CG 3.77Å; Y211-F237 HydrophobicContact CG-CG 3.77Å; T232-F237 HydrophobicContact CG2-CB 4.07Å; I234-F237 HydrophobicContact CB-CD2 3.79Å; I234-F237 HydrophobicContact CB-CE2 4.11Å; I234-F237 HydrophobicContact CD1-CE2 4.13Å; I234-F237 HydrophobicContact CG2-CD2 3.73Å; I234-F237 HydrophobicContact CG2-CE2 3.77Å; I234-F237 PolarHBondContact O-N 3.01Å; P235-F237 PolarHBondContact O-N 3.32Å; P235-F237 VanDerWaalsContact O-N 3.12Å; F237-D239 PolarHBondContact O-N 3.01Å; F237-V240 HydrophobicContact CB-CB 4.36Å; F237-V240 HydrophobicContact CD1-CB 4.22Å; F237-V240 HydrophobicContact CD1-CG1 4.33Å; F237-V240 HydrophobicContact CD1-CG2 4.07Å; F237-V240 WeakPolarHBondContact O-CB 3.31Å; F237-V240 PolarHBondContact O-N 3.5Å; F237-I241 PolarHBondContact O-N 3.46Å
238	S	94.9	Very high	96.7	Very high	32 Å²	32	36.3 Å²	36.3	22%	0.224	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.4	-173.4	-56.2	0	0	0	0	113.5	T232 P235	T232-S238 WeakPolarHBondContact OG1-CA 3.35Å; T232-S238 PolarHBondContact OG1-N 3.25Å; T232-S238 PolarHBondContact OG1-OG 3.03Å; T232-S238 VanDerWaalsContact OG1-OG 3.09Å; P235-S238 WeakPolarHBondContact O-CB 3.24Å; P235-S238 PolarHBondContact O-N 3.28Å; P235-S238 VanDerWaalsContact O-N 3.07Å; P235-S238 PolarHBondContact O-OG 3.02Å
239	D	91.7	Very high	96.7	Very high	80 Å²	80	38.6 Å²	38.6	43%	0.428	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.3	177.6	-62	-56.4	0	0	0	112.9	K219 F237 L580	K219-D239 IonicContact NZ-OD1 3.9Å; K219-D239 PolarHBondContact NZ-OD1 3.21Å; F237-D239 PolarHBondContact O-N 3.01Å; D239-L580 HydrophobicContact CB-CD2 3.22Å
240	V	95.7	Very high	96.6	Very high	43 Å²	43	39.9 Å²	39.9	26%	0.261	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-41.5	174.9	177.2	0	0	0	0	110.5	N212 F237	N212-V240 HydrophobicContact CB-CG1 4.12Å; F237-V240 HydrophobicContact CB-CB 4.36Å; F237-V240 HydrophobicContact CD1-CB 4.22Å; F237-V240 HydrophobicContact CD1-CG1 4.33Å; F237-V240 HydrophobicContact CD1-CG2 4.07Å; F237-V240 WeakPolarHBondContact O-CB 3.31Å; F237-V240 PolarHBondContact O-N 3.5Å
241	I	97.4	Very high	96.6	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-60.3	149.5	178.5	62.5	168.6	0	0	0	112.4	Y211 K219 I230 T232 F237	Y211-I241 HydrophobicContact CD1-CG2 3.79Å; Y211-I241 HydrophobicContact CG-CG2 4.39Å; Y211-I241 VanDerWaalsContact O-CA 3.3Å; Y211-I241 WeakPolarHBondContact O-CA 2.97Å; Y211-I241 WeakPolarHBondContact O-CG2 3.33Å; K219-I241 HydrophobicContact CB-CD1 3.98Å; K219-I241 HydrophobicContact CB-CG1 4.44Å; I230-I241 HydrophobicContact CB-CD1 4.19Å; I230-I241 HydrophobicContact CG2-CD1 3.96Å; T232-I241 HydrophobicContact CG2-CD1 4.07Å; T232-I241 HydrophobicContact CG2-CG1 4.45Å; T232-I241 HydrophobicContact CG2-CG2 3.96Å; F237-I241 PolarHBondContact O-N 3.46Å
242	G	96.4	Very high	96.5	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	22%	0.217	C	C	.	.	S	Bend	trans	73.6	29.4	-178.6	0	0	0	0	0	114.1	H216 Y217 R581	H216-G242 WeakPolarHBondContact O-CA 3.43Å; Y217-G242 PolarHBondContact O-N 3.06Å; G242-R581 PolarHBondContact O-NH2 3.19Å
243	Q	96.4	Very high	96.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.234	C	C	.	.			trans	-68.1	142.8	172.9	74.7	80.7	15.8	0	0	111	N212 M245 E246 M525	N212-Q243 VanDerWaalsContact O-CG 3.24Å; N212-Q243 WeakPolarHBondContact O-CG 3.1Å; N212-Q243 PolarHBondContact O-NE2 3.48Å; Q243-M245 HydrophobicContact CB-CE 4.27Å; Q243-E246 PolarHBondContact NE2-O 3.28Å; Q243-M525 HydrophobicContact CG-CE 4.47Å
244	R	95.8	Very high	96.1	Very high	35 Å²	35	36.7 Å²	36.7	13%	0.132	21%	0.212	C	C	.	.			trans	-132.9	41.2	-177.9	-61.9	-63.6	-178.8	-95.2	1.2	111.3	D42 A154 M214 H216	D42-R244 VanDerWaalsContact CG-NH2 3.28Å; D42-R244 IonicContact OD1-CZ 3.89Å; D42-R244 VanDerWaalsContact OD1-CZ 3.27Å; D42-R244 IonicContact OD1-NE 2.85Å; D42-R244 PolarHBondContact OD1-NE 3.35Å; D42-R244 IonicContact OD1-NH2 3.39Å; D42-R244 PolarHBondContact OD1-NH2 2.83Å; D42-R244 VanDerWaalsContact OD1-NH2 3.1Å; D42-R244 IonicContact OD2-CZ 2.7Å; D42-R244 VanDerWaalsContact OD2-CZ 3.29Å; D42-R244 IonicContact OD2-NE 2.72Å; D42-R244 IonicContact OD2-NH2 2.96Å; D42-R244 PolarHBondContact OD2-NH2 3.3Å; A154-R244 HydrophobicContact CB-CB 4.21Å; A154-R244 WeakPolarHBondContact CB-O 3.47Å; M214-R244 PolarHBondContact O-NH1 2.72Å; H216-R244 PolarHBondContact O-NH1 3.38Å; H216-R244 VanDerWaalsContact O-NH1 3.11Å
245	M	96.5	Very high	96	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.025	19%	0.19	C	C	.	.	S	Bend	trans	-95	-57.1	178.1	-60.1	177.1	-65.6	0	0	110.3	Q243 N527 L577 R581 F587	Q243-M245 HydrophobicContact CB-CE 4.27Å; M245-N527 HydrophobicContact CG-CB 4.38Å; M245-L577 HydrophobicContact CG-CD1 4.1Å; M245-L577 HydrophobicContact SD-CD1 3.82Å; M245-R581 HydrophobicContact SD-CB 4.31Å; M245-F587 HydrophobicContact CE-CE2 4.44Å; M245-F587 HydrophobicContact SD-CE2 3.59Å; M245-F587 VanDerWaalsContact SD-CE2 3.59Å; M245-F587 HydrophobicContact SD-CZ 3.56Å; M245-F587 VanDerWaalsContact SD-CZ 3.56Å
246	E	96.2	Very high	96	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	17%	0.168	C	C	.	.	S	Bend	trans	-168.9	-180	-176.3	-137.7	172.8	175.8	0	0	111	Q103 K107 Q243 M525 S526	Q103-E246 WeakPolarHBondContact CG-OE1 3.4Å; Q103-E246 PolarHBondContact OE1-OE1 3.04Å; K107-E246 IonicContact NZ-OE1 3.01Å; K107-E246 PolarHBondContact NZ-OE1 3.02Å; K107-E246 IonicContact NZ-OE2 3.5Å; K107-E246 PolarHBondContact NZ-OE2 2.93Å; Q243-E246 PolarHBondContact NE2-O 3.28Å; E246-M525 HydrophobicContact CB-CB 4.19Å; E246-M525 HydrophobicContact CB-CG 4.46Å; E246-M525 VanDerWaalsContact O-CE 3.27Å; E246-M525 WeakPolarHBondContact O-CE 3.28Å; E246-M525 WeakPolarHBondContact OE2-CA 3.08Å; E246-S526 PolarHBondContact OE2-N 2.66Å; E246-S526 VanDerWaalsContact OE2-N 3.1Å
247	F	97.8	Very high	95.9	Very high	2 Å²	2	31 Å²	31	1%	0.009	16%	0.156	C	C	.	.			trans	-53.4	136.9	170	-54.6	-74.6	0	0	0	112.9	Q103 Y104 K107 E157 L161 M214 D251 L252	Q103-F247 HydrophobicContact CB-CE2 4.16Å; Y104-F247 HydrophobicContact CD1-CZ 4.13Å; Y104-F247 HydrophobicContact CD2-CZ 4.01Å; Y104-F247 HydrophobicContact CE1-CE1 4.06Å; Y104-F247 AromaticContact CE1-CZ 3.73Å; Y104-F247 HydrophobicContact CE1-CZ 3.73Å; Y104-F247 HydrophobicContact CE2-CE1 4.39Å; Y104-F247 AromaticContact CE2-CZ 3.61Å; Y104-F247 HydrophobicContact CE2-CZ 3.61Å; Y104-F247 HydrophobicContact CG-CZ 4.25Å; Y104-F247 AromaticContact CZ-CE1 3.83Å; Y104-F247 AromaticContact CZ-CZ 3.45Å; Y104-F247 VanDerWaalsContact CZ-CZ 3.45Å; K107-F247 HydrophobicContact CD-CD2 4.11Å; E157-F247 HydrophobicContact CB-CE1 3.96Å; E157-F247 HydrophobicContact CB-CE2 4.28Å; E157-F247 HydrophobicContact CB-CZ 3.65Å; E157-F247 HydrophobicContact CG-CE1 4.33Å; E157-F247 HydrophobicContact CG-CE2 3.77Å; E157-F247 HydrophobicContact CG-CZ 3.53Å; E157-F247 WeakPolarHBondContact OE1-CE2 3.43Å; L161-F247 HydrophobicContact CD1-CD1 3.89Å; L161-F247 HydrophobicContact CD1-CE1 3.81Å; L161-F247 HydrophobicContact CD2-CE1 4.11Å; L161-F247 HydrophobicContact CG-CD1 4.38Å; L161-F247 HydrophobicContact CG-CE1 3.84Å; M214-F247 HydrophobicContact SD-CB 4.37Å; M214-F247 HydrophobicContact SD-CD1 3.3Å; M214-F247 WeakPolarHBondContact SD-CD1 3.35Å; M214-F247 HydrophobicContact SD-CE1 3.68Å; M214-F247 HydrophobicContact SD-CG 4Å; F247-D251 HydrophobicContact CB-CB 4.35Å; F247-D251 HydrophobicContact CD1-CB 4.47Å; F247-L252 HydrophobicContact CB-CD1 4.28Å; F247-L252 HydrophobicContact CB-CD2 3.7Å; F247-L252 HydrophobicContact CB-CG 3.71Å; F247-L252 HydrophobicContact CD1-CD2 4.32Å; F247-L252 HydrophobicContact CD2-CD2 3.96Å; F247-L252 HydrophobicContact CG-CD2 3.73Å; F247-L252 HydrophobicContact CG-CG 4.3Å
248	S	97.6	Very high	95.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	15%	0.15	C	C	.	.			trans	-75.2	163.8	164.5	87.6	0	0	0	0	111.6	D210 N212 S250 D251 L252	D210-S248 WeakPolarHBondContact OD2-CB 3.48Å; D210-S248 PolarHBondContact OD2-OG 3.07Å; N212-S248 WeakPolarHBondContact O-CB 3.33Å; S248-S250 PolarHBondContact O-N 2.8Å; S248-S250 PolarHBondContact OG-N 2.86Å; S248-S250 VanDerWaalsContact OG-N 3.12Å; S248-D251 WeakPolarHBondContact CB-OD2 3.47Å; S248-D251 PolarHBondContact N-OD2 2.78Å; S248-D251 PolarHBondContact O-N 3.07Å; S248-D251 VanDerWaalsContact OG-CG 3.26Å; S248-D251 PolarHBondContact OG-N 3.32Å; S248-D251 PolarHBondContact OG-OD2 3.27Å; S248-L252 WeakPolarHBondContact O-CG 3.49Å; S248-L252 PolarHBondContact O-N 3.27Å; S248-L252 VanDerWaalsContact O-N 3.11Å
249	D	96.3	Very high	95.7	Very high	81 Å²	81	28.7 Å²	28.7	43%	0.433	14%	0.144	S	C	.	.	H	α-helix	trans	-57.3	-34.1	171.4	-74.2	-33.9	0	0	0	111.9	L253	D249-L253 VanDerWaalsContact O-CB 3.26Å; D249-L253 WeakPolarHBondContact O-CB 3.47Å; D249-L253 PolarHBondContact O-N 2.9Å
250	S	96.2	Very high	95.8	Very high	27 Å²	27	33 Å²	33	19%	0.189	16%	0.158	C	C	.	.	H	α-helix	trans	-75.7	-37.4	179.5	-53.6	0	0	0	0	112.2	D210 S248 L252 L253 K254	D210-S250 WeakPolarHBondContact OD2-CB 3.17Å; D210-S250 PolarHBondContact OD2-OG 3.15Å; S248-S250 PolarHBondContact O-N 2.8Å; S248-S250 PolarHBondContact OG-N 2.86Å; S248-S250 VanDerWaalsContact OG-N 3.12Å; S250-L252 VanDerWaalsContact C-N 3.34Å; S250-L253 PolarHBondContact O-N 2.68Å; S250-K254 WeakPolarHBondContact O-CB 3.18Å; S250-K254 VanDerWaalsContact O-CG 3.25Å; S250-K254 WeakPolarHBondContact O-CG 3.3Å; S250-K254 PolarHBondContact O-N 3.09Å
251	D	97.1	Very high	95.8	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-50	173.6	-63.7	-31.5	0	0	0	109.7	S213 M214 F247 S248 L253 K254 L255	S213-D251 WeakPolarHBondContact CA-OD2 3.47Å; S213-D251 WeakPolarHBondContact CB-OD1 3.47Å; S213-D251 PolarHBondContact OG-OD1 3.14Å; M214-D251 PolarHBondContact N-OD2 3.05Å; F247-D251 HydrophobicContact CB-CB 4.35Å; F247-D251 HydrophobicContact CD1-CB 4.47Å; S248-D251 WeakPolarHBondContact CB-OD2 3.47Å; S248-D251 PolarHBondContact N-OD2 2.78Å; S248-D251 PolarHBondContact O-N 3.07Å; S248-D251 VanDerWaalsContact OG-CG 3.26Å; S248-D251 PolarHBondContact OG-N 3.32Å; S248-D251 PolarHBondContact OG-OD2 3.27Å; D251-L253 PolarHBondContact O-N 2.82Å; D251-K254 PolarHBondContact O-N 3.26Å; D251-L255 WeakPolarHBondContact O-CB 3.4Å; D251-L255 PolarHBondContact O-N 3.38Å
252	L	96.8	Very high	95.6	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-42.2	176.4	-65.1	176.6	0	0	0	112.2	K107 T108 F247 S248 S250 L255 N256	K107-L252 HydrophobicContact CB-CD1 3.96Å; K107-L252 HydrophobicContact CB-CD2 3.63Å; K107-L252 HydrophobicContact CB-CG 4.45Å; K107-L252 HydrophobicContact CD-CD1 4Å; K107-L252 HydrophobicContact CD-CD2 4.34Å; K107-L252 HydrophobicContact CG-CD1 4.22Å; T108-L252 HydrophobicContact CG2-CD2 3.84Å; F247-L252 HydrophobicContact CB-CD1 4.28Å; F247-L252 HydrophobicContact CB-CD2 3.7Å; F247-L252 HydrophobicContact CB-CG 3.71Å; F247-L252 HydrophobicContact CD1-CD2 4.32Å; F247-L252 HydrophobicContact CD2-CD2 3.96Å; F247-L252 HydrophobicContact CG-CD2 3.73Å; F247-L252 HydrophobicContact CG-CG 4.3Å; S248-L252 WeakPolarHBondContact O-CG 3.49Å; S248-L252 PolarHBondContact O-N 3.27Å; S248-L252 VanDerWaalsContact O-N 3.11Å; S250-L252 VanDerWaalsContact C-N 3.34Å; L252-L255 PolarHBondContact O-N 2.94Å; L252-N256 WeakPolarHBondContact O-CB 3.46Å; L252-N256 PolarHBondContact O-N 2.87Å; L252-N256 PolarHBondContact O-ND2 2.83Å
253	L	95.3	Very high	95.3	Very high	73 Å²	73	42.8 Å²	42.8	38%	0.382	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-44.4	178.3	179.5	60.1	0	0	0	111.5	V207 D249 S250 D251 R257	V207-L253 HydrophobicContact CG1-CD2 4.28Å; V207-L253 HydrophobicContact CG2-CD2 3.87Å; V207-L253 HydrophobicContact CG2-CG 4.03Å; D249-L253 VanDerWaalsContact O-CB 3.26Å; D249-L253 WeakPolarHBondContact O-CB 3.47Å; D249-L253 PolarHBondContact O-N 2.9Å; S250-L253 PolarHBondContact O-N 2.68Å; D251-L253 PolarHBondContact O-N 2.82Å; L253-R257 HydrophobicContact CD1-CG 4.34Å; L253-R257 WeakPolarHBondContact O-CB 3.24Å; L253-R257 VanDerWaalsContact O-CG 3.25Å; L253-R257 WeakPolarHBondContact O-CG 3.3Å; L253-R257 PolarHBondContact O-N 3.39Å
254	K	94.4	Very high	95.2	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-49.3	177.4	-71.3	170.5	-176	162.1	0	110.9	F166 E169 L205 V207 S250 D251 N256 R257 L258	F166-K254 HydrophobicContact CE1-CB 3.61Å; F166-K254 HydrophobicContact CE1-CD 4.44Å; F166-K254 HydrophobicContact CZ-CB 4.02Å; E169-K254 IonicContact OE1-NZ 2.73Å; E169-K254 PolarHBondContact OE1-NZ 2.88Å; E169-K254 IonicContact OE2-NZ 3.69Å; E169-K254 PolarHBondContact OE2-NZ 2.56Å; L205-K254 HydrophobicContact CD1-CB 4.11Å; L205-K254 WeakPolarHBondContact CD1-O 3.21Å; V207-K254 HydrophobicContact CB-CD 4.5Å; V207-K254 HydrophobicContact CB-CG 3.94Å; V207-K254 HydrophobicContact CG1-CG 4.24Å; V207-K254 HydrophobicContact CG2-CG 3.72Å; S250-K254 WeakPolarHBondContact O-CB 3.18Å; S250-K254 VanDerWaalsContact O-CG 3.25Å; S250-K254 WeakPolarHBondContact O-CG 3.3Å; S250-K254 PolarHBondContact O-N 3.09Å; D251-K254 PolarHBondContact O-N 3.26Å; K254-N256 PolarHBondContact O-N 2.57Å; K254-R257 PolarHBondContact O-N 2.76Å; K254-L258 WeakPolarHBondContact O-CB 3.21Å; K254-L258 PolarHBondContact O-N 2.97Å
255	L	95.4	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-46.3	178.8	177.7	59.1	0	0	0	112	Y104 T108 I110 L161 L164 F166 D251 L252 R257 L258 Y259	Y104-L255 HydrophobicContact CD1-CD2 4.13Å; Y104-L255 HydrophobicContact CE1-CD2 3.76Å; T108-L255 HydrophobicContact CG2-CD2 3.68Å; T108-L255 HydrophobicContact CG2-CG 4.37Å; I110-L255 HydrophobicContact CG1-CD1 4.35Å; L161-L255 HydrophobicContact CD2-CD2 3.9Å; L164-L255 HydrophobicContact CB-CD1 4.26Å; L164-L255 HydrophobicContact CD1-CD1 4.03Å; L164-L255 HydrophobicContact CD1-CD2 4.26Å; F166-L255 HydrophobicContact CE2-CB 4.05Å; F166-L255 HydrophobicContact CE2-CD1 3.74Å; F166-L255 HydrophobicContact CE2-CG 4.48Å; F166-L255 HydrophobicContact CZ-CB 4.16Å; D251-L255 WeakPolarHBondContact O-CB 3.4Å; D251-L255 PolarHBondContact O-N 3.38Å; L252-L255 PolarHBondContact O-N 2.94Å; L255-R257 PolarHBondContact O-N 3.08Å; L255-L258 PolarHBondContact O-N 3.07Å; L255-Y259 HydrophobicContact CD1-CD2 3.61Å; L255-Y259 HydrophobicContact CD1-CE2 3.82Å; L255-Y259 PolarHBondContact O-N 2.76Å
256	N	95.3	Very high	95.2	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-36	178.3	-72.6	-34.8	0	0	0	112.2	K107 T108 L252 K254 K260 C261	K107-N256 PolarHBondContact O-ND2 2.78Å; T108-N256 WeakPolarHBondContact CA-OD1 3.45Å; T108-N256 WeakPolarHBondContact CB-OD1 3.42Å; L252-N256 WeakPolarHBondContact O-CB 3.46Å; L252-N256 PolarHBondContact O-N 2.87Å; L252-N256 PolarHBondContact O-ND2 2.83Å; K254-N256 PolarHBondContact O-N 2.57Å; N256-K260 CarbonylContact O-C 3.15Å; N256-K260 VanDerWaalsContact O-CA 3.26Å; N256-K260 WeakPolarHBondContact O-CA 3.48Å; N256-K260 PolarHBondContact O-N 2.68Å; N256-C261 HydrophobicContact CB-CB 3.89Å; N256-C261 PolarHBondContact O-N 2.76Å; N256-C261 WeakPolarHBondContact OD1-CB 3.48Å; N256-C261 PolarHBondContact OD1-SG 3.01Å
257	R	93.6	Very high	95.2	Very high	117 Å²	117	42.9 Å²	42.9	44%	0.442	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-44.9	171.8	-77.7	175.9	-177.6	-177.9	4.8	111.7	L205 G206 V207 L253 K254 L255 Y259 K260	L205-R257 PolarHBondContact O-NH1 3.03Å; G206-R257 PolarHBondContact O-NH1 3.35Å; V207-R257 VanDerWaalsContact CG2-NH1 3.28Å; L253-R257 HydrophobicContact CD1-CG 4.34Å; L253-R257 WeakPolarHBondContact O-CB 3.24Å; L253-R257 VanDerWaalsContact O-CG 3.25Å; L253-R257 WeakPolarHBondContact O-CG 3.3Å; L253-R257 PolarHBondContact O-N 3.39Å; K254-R257 PolarHBondContact O-N 2.76Å; L255-R257 PolarHBondContact O-N 3.08Å; R257-Y259 VanDerWaalsContact C-N 3.33Å; R257-Y259 PolarHBondContact O-N 3.3Å; R257-K260 PolarHBondContact O-N 3.12Å
258	L	92.6	Very high	95.2	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-42.1	-177.8	-175.4	64.8	0	0	0	112	K76 F166 L205 K254 L255	K76-L258 WeakPolarHBondContact CE-O 3.11Å; K76-L258 PolarHBondContact NZ-O 3Å; F166-L258 HydrophobicContact CE2-CD2 3.68Å; F166-L258 HydrophobicContact CZ-CB 4.28Å; F166-L258 HydrophobicContact CZ-CD2 3.73Å; L205-L258 HydrophobicContact CD1-CB 4.05Å; K254-L258 WeakPolarHBondContact O-CB 3.21Å; K254-L258 PolarHBondContact O-N 2.97Å; L255-L258 PolarHBondContact O-N 3.07Å
259	Y	94.6	Very high	95.3	Very high	21 Å²	21	44.2 Å²	44.2	8%	0.082	23%	0.225	C	C	.	.	H	α-helix	trans	-98.5	4.2	-178.6	-78	-99.5	0	0	0	114.4	K76 W77 T79 I110 L164 L255 R257 C261	K76-Y259 HydrophobicContact CB-CE1 4.46Å; W77-Y259 PolarHBondContact N-OH 3.22Å; W77-Y259 VanDerWaalsContact O-CE1 3.26Å; W77-Y259 WeakPolarHBondContact O-CE1 3.23Å; T79-Y259 HydrophobicContact CG2-CD1 4.3Å; I110-Y259 HydrophobicContact CD1-CD1 3.35Å; I110-Y259 HydrophobicContact CD1-CD2 4.11Å; I110-Y259 HydrophobicContact CD1-CE1 3.68Å; I110-Y259 HydrophobicContact CD1-CE2 4.43Å; I110-Y259 HydrophobicContact CD1-CG 3.56Å; L164-Y259 HydrophobicContact CB-CE2 4.34Å; L164-Y259 HydrophobicContact CD2-CE1 4.47Å; L164-Y259 HydrophobicContact CD2-CE2 4.27Å; L164-Y259 VanDerWaalsContact CD2-OH 3.29Å; L164-Y259 WeakPolarHBondContact CD2-OH 3.38Å; L164-Y259 PolarHBondContact O-OH 2.9Å; L255-Y259 HydrophobicContact CD1-CD2 3.61Å; L255-Y259 HydrophobicContact CD1-CE2 3.82Å; L255-Y259 PolarHBondContact O-N 2.76Å; R257-Y259 VanDerWaalsContact C-N 3.33Å; R257-Y259 PolarHBondContact O-N 3.3Å; Y259-C261 PolarHBondContact O-N 2.95Å
260	K	95.1	Very high	95.4	Very high	169 Å²	169	41.1 Å²	41.1	74%	0.735	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	38.7	179.4	-54.7	174.1	-176.9	172	0	112.7	N256 R257	N256-K260 CarbonylContact O-C 3.15Å; N256-K260 VanDerWaalsContact O-CA 3.26Å; N256-K260 WeakPolarHBondContact O-CA 3.48Å; N256-K260 PolarHBondContact O-N 2.68Å; R257-K260 PolarHBondContact O-N 3.12Å
261	C	94.8	Very high	95.5	Very high	21 Å²	21	40 Å²	40	14%	0.142	20%	0.202	C	C	.	.			trans	-71.4	137.2	177.8	-60.2	0	0	0	0	111.2	C109 N256 Y259	C109-C261 HydrophobicContact CB-CB 3.57Å; C109-C261 WeakPolarHBondContact CB-SG 3.48Å; C109-C261 PolarHBondContact N-SG 3.09Å; C109-C261 WeakPolarHBondContact SG-CA 3.4Å; C109-C261 WeakPolarHBondContact SG-CB 3.43Å; C109-C261 CovalentContact SG-SG 2.04Å; C109-C261 PolarHBondContact SG-SG 2.89Å; N256-C261 HydrophobicContact CB-CB 3.89Å; N256-C261 PolarHBondContact O-N 2.76Å; N256-C261 WeakPolarHBondContact OD1-CB 3.48Å; N256-C261 PolarHBondContact OD1-SG 3.01Å; Y259-C261 PolarHBondContact O-N 2.95Å
262	T	92.9	Very high	95.5	Very high	147 Å²	147	42 Å²	42	90%	0.902	21%	0.212	S	C	*	.			trans	-103.9	-25.8	175.4	55.9	0	0	0	0	113.1
263	Q	91	Very high	95.5	Very high	89 Å²	89	41.4 Å²	41.4	42%	0.416	21%	0.209	S	C	.	.	S	Bend	trans	-157.4	156.5	-177.9	-164.8	177.7	17.4	0	0	110	F267	Q263-F267 HydrophobicContact CG-CD1 3.78Å; Q263-F267 PolarHBondContact NE2-O 3.36Å
264	G	94.2	Very high	95.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	20%	0.204	C	C	.	.			trans	-60.1	136.6	165.3	0	0	0	0	0	111.7	R105 L106 T108 T266 F267	R105-G264 CarbonylContact O-C 3.46Å; L106-G264 WeakPolarHBondContact O-CA 3.47Å; T108-G264 CarbonylContact O-C 3.58Å; T108-G264 VanDerWaalsContact O-CA 3.27Å; T108-G264 WeakPolarHBondContact O-CA 3.44Å; G264-T266 VanDerWaalsContact C-N 3.27Å; G264-T266 PolarHBondContact O-N 3.19Å; G264-F267 PolarHBondContact O-N 2.5Å
265	S	94.1	Very high	95.5	Very high	28 Å²	28	49.3 Å²	49.3	20%	0.196	24%	0.236	C	C	.	.	S	Bend	trans	-57.1	-36.8	179.1	-69.4	0	0	0	0	113.9	R105 T108 K341	R105-S265 WeakPolarHBondContact O-CA 3.35Å; R105-S265 PolarHBondContact O-N 3.35Å; T108-S265 PolarHBondContact O-N 2.8Å; S265-K341 PolarHBondContact O-NZ 2.78Å
266	T	97.3	Very high	95.5	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.018	28%	0.276	C	S	.	.	S	Bend	trans	-106.6	-0.7	179.8	56.2	0	0	0	0	113.8	R105 L106 G264 R342 S430 E431	R105-T266 VanDerWaalsContact C-OG1 3.25Å; R105-T266 HydrophobicContact CB-CG2 3.76Å; R105-T266 PolarHBondContact O-N 3.26Å; R105-T266 PolarHBondContact O-OG1 2.87Å; L106-T266 WeakPolarHBondContact CA-OG1 3.13Å; L106-T266 PolarHBondContact N-OG1 2.95Å; G264-T266 VanDerWaalsContact C-N 3.27Å; G264-T266 PolarHBondContact O-N 3.19Å; T266-R342 VanDerWaalsContact CG2-NH1 3.33Å; T266-S430 CarbonylContact O-C 3.55Å; T266-S430 VanDerWaalsContact O-CA 3.31Å; T266-S430 WeakPolarHBondContact O-CA 3.5Å; T266-E431 HydrophobicContact CG2-CB 4.18Å; T266-E431 PolarHBondContact O-N 3.07Å
267	F	98	Very high	95.5	Very high	19 Å²	19	60.7 Å²	60.7	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.2	176.4	174.6	-113	0	0	0	110.7	L106 Q263 G264 D269 H520 I521 Q522	L106-F267 HydrophobicContact CD1-CB 4.31Å; Q263-F267 HydrophobicContact CG-CD1 3.78Å; Q263-F267 PolarHBondContact NE2-O 3.36Å; G264-F267 PolarHBondContact O-N 2.5Å; F267-D269 VanDerWaalsContact CE2-C 3.43Å; F267-D269 WeakPolarHBondContact CE2-O 3.27Å; F267-H520 AromaticContact CE2-CE1 3.85Å; F267-H520 AromaticContact CZ-CE1 3.68Å; F267-H520 AromaticContact CZ-NE2 3.69Å; F267-I521 HydrophobicContact CD2-CG2 4.03Å; F267-I521 HydrophobicContact CE2-CG2 4.06Å; F267-Q522 HydrophobicContact CB-CG 4.31Å; F267-Q522 HydrophobicContact CD2-CG 3.79Å; F267-Q522 HydrophobicContact CE2-CG 4.24Å; F267-Q522 HydrophobicContact CG-CG 3.97Å
268	L	97.7	Very high	95.7	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-51.5	177.7	-65.4	177	0	0	0	112.2	R336 Q345 L429 E431	L268-R336 PolarHBondContact O-NH2 3.31Å; L268-Q345 HydrophobicContact CD1-CG 3.78Å; L268-L429 HydrophobicContact CB-CB 4.29Å; L268-L429 HydrophobicContact CB-CD2 3.98Å; L268-L429 HydrophobicContact CB-CG 3.93Å; L268-L429 WeakPolarHBondContact CB-O 3.5Å; L268-L429 HydrophobicContact CD1-CD2 3.9Å; L268-L429 HydrophobicContact CD1-CG 3.85Å; L268-L429 HydrophobicContact CG-CG 4.5Å; L268-L429 PolarHBondContact N-O 3.13Å; L268-E431 HydrophobicContact CD1-CG 3.64Å; L268-E431 HydrophobicContact CD2-CG 4.11Å; L268-E431 HydrophobicContact CG-CG 3.8Å
269	D	97.9	Very high	95.9	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	156.2	-177.7	-151.6	3.6	0	0	0	114.1	F267 R336 L429	F267-D269 VanDerWaalsContact CE2-C 3.43Å; F267-D269 WeakPolarHBondContact CE2-O 3.27Å; D269-R336 IonicContact OD1-CZ 3.24Å; D269-R336 IonicContact OD1-NH1 2.7Å; D269-R336 PolarHBondContact OD1-NH1 3.11Å; D269-R336 IonicContact OD1-NH2 3.44Å; D269-R336 PolarHBondContact OD1-NH2 2.93Å; D269-R336 IonicContact OD2-CZ 2.59Å; D269-R336 VanDerWaalsContact OD2-CZ 3.3Å; D269-R336 IonicContact OD2-NH1 3.52Å; D269-R336 PolarHBondContact OD2-NH1 3.31Å; D269-R336 IonicContact OD2-NH2 3.85Å; D269-R336 PolarHBondContact OD2-NH2 3.17Å; D269-L429 HydrophobicContact CB-CB 4.27Å; D269-L429 PolarHBondContact N-O 3.27Å; D269-L429 PolarHBondContact O-N 2.86Å
270	S	98.3	Very high	96	Very high	17 Å²	17	56.5 Å²	56.5	12%	0.119	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130.8	168.9	-175.4	0	0	0	0	108.9	I427 N428 H520	S270-I427 CarbonylContact C-O 3.58Å; S270-I427 VanDerWaalsContact CA-O 3.29Å; S270-I427 WeakPolarHBondContact CA-O 3.29Å; S270-N428 VanDerWaalsContact CB-OD1 3.31Å; S270-N428 WeakPolarHBondContact CB-OD1 3.38Å; S270-N428 PolarHBondContact OG-OD1 3.47Å; S270-H520 WeakPolarHBondContact OG-CA 3.26Å; S270-H520 PolarHBondContact OG-CD2 3.19Å
271	C	98.4	Very high	96.2	Very high	3 Å²	3	49 Å²	49	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	113.6	-178.8	-164.3	0	0	0	0	112.1	F273 C279 I427	C271-F273 VanDerWaalsContact SG-CD1 3.57Å; C271-F273 VanDerWaalsContact SG-CE1 3.52Å; C271-C279 WeakPolarHBondContact CA-SG 3.46Å; C271-C279 HydrophobicContact CB-CB 3.67Å; C271-C279 WeakPolarHBondContact CB-SG 3.06Å; C271-C279 WeakPolarHBondContact SG-CB 3.37Å; C271-C279 CovalentContact SG-SG 2.03Å; C271-C279 PolarHBondContact SG-SG 2.69Å; C271-I427 HydrophobicContact CB-CB 4.44Å; C271-I427 PolarHBondContact N-O 2.97Å; C271-I427 PolarHBondContact O-N 3.25Å
272	D	97.1	Very high	96.3	Very high	49 Å²	49	51.3 Å²	51.3	26%	0.262	27%	0.267	S	S	.	.			trans	-104.7	3.8	177.2	58.6	8.6	0	0	0	112.2	E274 P519	D272-E274 HydrophobicContact CB-CG 4.18Å; D272-E274 PolarHBondContact O-N 3.25Å; D272-E274 PolarHBondContact OD1-N 3.21Å; D272-P519 HydrophobicContact CB-CB 4.14Å
273	F	97.3	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.			trans	56.7	14	-179.1	-52.7	-69.1	0	0	0	116.4	C271 R275 I278 M281 R293 Y316 M318 L333 L424 I427	C271-F273 VanDerWaalsContact SG-CD1 3.57Å; C271-F273 VanDerWaalsContact SG-CE1 3.52Å; F273-R275 PolarHBondContact O-N 3.04Å; F273-R275 VanDerWaalsContact O-N 3.11Å; F273-I278 HydrophobicContact CD1-CB 4.12Å; F273-I278 HydrophobicContact CD1-CG2 4.12Å; F273-M281 HydrophobicContact CE1-SD 3.64Å; F273-M281 HydrophobicContact CZ-SD 3.94Å; F273-R293 VanDerWaalsContact O-CZ 3.26Å; F273-R293 PolarHBondContact O-NE 3.12Å; F273-R293 PolarHBondContact O-NH2 3.48Å; F273-Y316 WeakPolarHBondContact O-CB 3.33Å; F273-M318 HydrophobicContact CD1-CG 3.54Å; F273-M318 HydrophobicContact CD1-SD 3.99Å; F273-M318 HydrophobicContact CD2-CG 4.07Å; F273-M318 HydrophobicContact CE1-CG 3.29Å; F273-M318 HydrophobicContact CE1-SD 4.16Å; F273-M318 HydrophobicContact CE2-CB 4.42Å; F273-M318 HydrophobicContact CE2-CG 3.84Å; F273-M318 HydrophobicContact CG-CG 3.91Å; F273-M318 HydrophobicContact CZ-CB 4.28Å; F273-M318 HydrophobicContact CZ-CG 3.44Å; F273-M318 VanDerWaalsContact CZ-CG 3.44Å; F273-L333 HydrophobicContact CZ-CD2 4.46Å; F273-L424 WeakPolarHBondContact CE2-O 3.49Å; F273-I427 HydrophobicContact CE2-CD1 4.05Å; F273-I427 HydrophobicContact CE2-CG1 4.17Å; F273-I427 HydrophobicContact CZ-CD1 3.57Å; F273-I427 HydrophobicContact CZ-CG1 4.16Å
274	E	95.5	Very high	96	Very high	59 Å²	59	43.3 Å²	43.3	28%	0.276	22%	0.223	S	C	.	.			trans	-67.9	-17.3	-177.7	-67.1	-53	132.2	0	0	113.6	D272 R293 N307 G315 Y316	D272-E274 HydrophobicContact CB-CG 4.18Å; D272-E274 PolarHBondContact O-N 3.25Å; D272-E274 PolarHBondContact OD1-N 3.21Å; E274-R293 VanDerWaalsContact C-NH2 3.26Å; E274-R293 PolarHBondContact O-NH2 2.82Å; E274-N307 PolarHBondContact OE1-ND2 3.45Å; E274-G315 VanDerWaalsContact OE1-CA 3.29Å; E274-G315 WeakPolarHBondContact OE1-CA 3.38Å; E274-Y316 PolarHBondContact OE1-N 3.11Å; E274-Y316 VanDerWaalsContact OE1-N 3.08Å
275	R	94.9	Very high	95.2	Very high	189 Å²	189	52.9 Å²	52.9	71%	0.713	27%	0.267	S	S	*	.	S	Bend	trans	-108.3	144.4	176.6	-61.1	-174.2	-179	-142.7	-0.1	112	F273 N277 I278	F273-R275 PolarHBondContact O-N 3.04Å; F273-R275 VanDerWaalsContact O-N 3.11Å; R275-N277 WeakPolarHBondContact CB-OD1 3.3Å; R275-N277 PolarHBondContact O-N 2.99Å; R275-N277 VanDerWaalsContact O-N 3.13Å; R275-I278 PolarHBondContact O-N 2.92Å
276	E	94.9	Very high	94.4	Very high	177 Å²	177	55.2 Å²	55.2	83%	0.827	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.7	-180	-65.7	-179.8	174.9	0	0	114	I278	E276-I278 PolarHBondContact O-N 3.48Å
277	N	95.9	Very high	93.8	Very high	100 Å²	100	56.6 Å²	56.6	54%	0.535	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.8	177.2	74.9	-35.4	0	0	0	113.4	R275 C279 G280	R275-N277 WeakPolarHBondContact CB-OD1 3.3Å; R275-N277 PolarHBondContact O-N 2.99Å; R275-N277 VanDerWaalsContact O-N 3.13Å; N277-C279 PolarHBondContact O-N 3.23Å; N277-G280 PolarHBondContact O-N 2.97Å
278	I	96.7	Very high	93.3	Very high	25 Å²	25	61.1 Å²	61.1	13%	0.128	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	44.4	42.8	176.7	58.2	170.6	0	0	0	112.7	F273 R275 E276 G280 M281 R293 M318	F273-I278 HydrophobicContact CD1-CB 4.12Å; F273-I278 HydrophobicContact CD1-CG2 4.12Å; R275-I278 PolarHBondContact O-N 2.92Å; E276-I278 PolarHBondContact O-N 3.48Å; I278-G280 PolarHBondContact O-N 3.1Å; I278-M281 HydrophobicContact CD1-CB 4.15Å; I278-M281 WeakPolarHBondContact CD1-O 3.3Å; I278-M281 HydrophobicContact CG1-CB 4.27Å; I278-M281 WeakPolarHBondContact O-CB 3.4Å; I278-M281 VanDerWaalsContact O-CG 3.25Å; I278-M281 WeakPolarHBondContact O-CG 3.27Å; I278-M281 PolarHBondContact O-N 2.94Å; I278-R293 HydrophobicContact CG2-CG 4.48Å; I278-M318 HydrophobicContact CG2-SD 4.09Å
279	C	97.3	Very high	93	Very high	25 Å²	25	61.4 Å²	61.4	17%	0.169	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	59.4	16.5	179.5	-37.8	0	0	0	0	114.9	C271 N277 R336	C271-C279 WeakPolarHBondContact CA-SG 3.46Å; C271-C279 HydrophobicContact CB-CB 3.67Å; C271-C279 WeakPolarHBondContact CB-SG 3.06Å; C271-C279 WeakPolarHBondContact SG-CB 3.37Å; C271-C279 CovalentContact SG-SG 2.03Å; C271-C279 PolarHBondContact SG-SG 2.69Å; N277-C279 PolarHBondContact O-N 3.23Å; C279-R336 PolarHBondContact O-NH1 2.91Å; C279-R336 VanDerWaalsContact O-NH1 3.15Å
280	G	97.5	Very high	92.7	Very high	35 Å²	35	65.1 Å²	65.1	36%	0.361	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	78.6	15.3	-173.9	0	0	0	0	0	114.2	N277 I278	N277-G280 PolarHBondContact O-N 2.97Å; I278-G280 PolarHBondContact O-N 3.1Å
281	M	98.1	Very high	92.7	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.059	34%	0.344	C	S	.	.			trans	-64	152.2	168.1	-59.4	-166.3	86.5	0	0	110.2	F273 I278 L333 E334 F408 I427	F273-M281 HydrophobicContact CE1-SD 3.64Å; F273-M281 HydrophobicContact CZ-SD 3.94Å; I278-M281 HydrophobicContact CD1-CB 4.15Å; I278-M281 WeakPolarHBondContact CD1-O 3.3Å; I278-M281 HydrophobicContact CG1-CB 4.27Å; I278-M281 WeakPolarHBondContact O-CB 3.4Å; I278-M281 VanDerWaalsContact O-CG 3.25Å; I278-M281 WeakPolarHBondContact O-CG 3.27Å; I278-M281 PolarHBondContact O-N 2.94Å; M281-L333 HydrophobicContact CB-CD1 3.98Å; M281-L333 HydrophobicContact CB-CG 4.45Å; M281-L333 HydrophobicContact CE-CD2 3.96Å; M281-L333 HydrophobicContact CE-CG 3.87Å; M281-L333 HydrophobicContact SD-CD2 4.03Å; M281-L333 HydrophobicContact SD-CG 4.28Å; M281-E334 CarbonylContact C-O 3.53Å; M281-E334 WeakPolarHBondContact CA-O 2.99Å; M281-E334 WeakPolarHBondContact CB-O 3.49Å; M281-F408 HydrophobicContact CE-CD2 3.97Å; M281-F408 HydrophobicContact CE-CE2 3.76Å; M281-I427 HydrophobicContact CE-CD1 4.21Å; M281-I427 HydrophobicContact SD-CD1 4.22Å
282	I	96.7	Very high	92.6	Very high	70 Å²	70	68.2 Å²	68.2	36%	0.359	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.9	-178.1	66.8	169.4	0	0	0	110.2	E334 R405	I282-E334 HydrophobicContact CD1-CB 4.46Å; I282-E334 HydrophobicContact CG1-CB 3.84Å; I282-E334 HydrophobicContact CG1-CG 4.47Å; I282-E334 PolarHBondContact N-O 3.4Å; I282-E334 PolarHBondContact O-N 2.92Å; I282-R405 VanDerWaalsContact CG1-NH1 3.3Å
283	Q	94	Very high	92.5	Very high	55 Å²	55	68.7 Å²	68.7	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	156.3	166.3	-59.8	-62	-32	0	0	110.5	W291 V332	Q283-W291 PolarHBondContact NE2-O 3.08Å; Q283-V332 CarbonylContact C-O 3.49Å; Q283-V332 WeakPolarHBondContact CA-O 3.31Å; Q283-V332 PolarHBondContact OE1-O 3.21Å
284	G	85.4	Confident	92.5	Very high	13 Å²	13	70.3 Å²	70.3	13%	0.134	37%	0.373	C	S	.	.			trans	-57.2	165.5	166.4	0	0	0	0	0	112.4	D287 V332	G284-D287 WeakPolarHBondContact CA-OD1 3.2Å; G284-V332 PolarHBondContact N-O 3.44Å
285	H	77	Confident	92.4	Very high	202 Å²	202	70.4 Å²	70.4	94%	0.935	38%	0.378	S	S	*	.	S	Bend	trans	-120.2	119.9	170.1	-154	68.8	0	0	0	108.5
286	G	76.6	Confident	92.4	Very high	77 Å²	77	64.2 Å²	64.2	79%	0.794	36%	0.364	S	S	*	.	S	Bend	trans	96.2	6.4	178.2	0	0	0	0	0	115.2
287	D	83.8	Confident	92.3	Very high	31 Å²	31	56.2 Å²	56.2	17%	0.166	33%	0.328	C	S	.	.			trans	-80.3	159.5	164.4	52.9	-34	0	0	0	111.7	G284 T330 V332	G284-D287 WeakPolarHBondContact CA-OD1 3.2Å; D287-T330 WeakPolarHBondContact CB-O 3.44Å; D287-V332 HydrophobicContact CB-CG2 4.35Å; D287-V332 WeakPolarHBondContact OD2-CB 3.07Å; D287-V332 PolarHBondContact OD2-N 2.87Å
288	Q	89.1	Confident	92	Very high	115 Å²	115	59.3 Å²	59.3	54%	0.537	35%	0.345	S	S	.	.	S	Bend	trans	-91	-17.6	-168.6	-56.4	87.6	-16.1	0	0	113.2	D329 T330	Q288-D329 HydrophobicContact CB-CB 3.93Å; Q288-D329 WeakPolarHBondContact CB-OD1 3.39Å; Q288-D329 WeakPolarHBondContact CG-OD1 3.31Å; Q288-T330 PolarHBondContact N-O 3.49Å; Q288-T330 PolarHBondContact OE1-OG1 2.7Å; Q288-T330 VanDerWaalsContact OE1-OG1 3.06Å
289	A	90.3	Very high	91.6	Very high	20 Å²	20	59.4 Å²	59.4	17%	0.165	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-140.8	158.9	-179.6	0	0	0	0	0	110.3	F320 T330 A331	A289-F320 HydrophobicContact CB-CD2 4.24Å; A289-F320 HydrophobicContact CB-CE2 3.56Å; A289-F320 HydrophobicContact CB-CZ 4.42Å; A289-T330 PolarHBondContact N-O 3.31Å; A289-A331 HydrophobicContact CB-CB 4.23Å; A289-A331 WeakPolarHBondContact O-CA 3.2Å; A289-A331 VanDerWaalsContact O-CB 3.28Å; A289-A331 WeakPolarHBondContact O-CB 3.45Å
290	D	92.8	Very high	91.3	Very high	93 Å²	93	58.5 Å²	58.5	50%	0.497	35%	0.346	S	S	.	.			trans	-114.5	153.1	-177.9	-69.9	-48.7	0	0	0	111.6
291	W	96.8	Very high	91.1	Very high	5 Å²	5	57 Å²	57	2%	0.019	33%	0.33	C	S	.	.			trans	-75.5	129.3	161.1	-70.8	81.6	0	0	0	109.7	Q283 M318 F320 A331 L333 L361 L422 L424	Q283-W291 PolarHBondContact NE2-O 3.08Å; W291-M318 HydrophobicContact CB-CE 3.58Å; W291-M318 HydrophobicContact CE3-CB 3.94Å; W291-M318 WeakPolarHBondContact O-CE 3.3Å; W291-F320 HydrophobicContact CD2-CB 3.88Å; W291-F320 HydrophobicContact CE3-CB 3.92Å; W291-F320 HydrophobicContact CG-CB 4.45Å; W291-F320 HydrophobicContact CH2-CB 4.2Å; W291-F320 HydrophobicContact CZ2-CB 4.17Å; W291-F320 HydrophobicContact CZ3-CB 4.08Å; W291-A331 PolarHBondContact NE1-O 3.06Å; W291-L333 HydrophobicContact CB-CB 4.33Å; W291-L333 HydrophobicContact CD2-CB 4.34Å; W291-L333 HydrophobicContact CG-CB 3.83Å; W291-L361 HydrophobicContact CH2-CD1 4.22Å; W291-L361 HydrophobicContact CZ2-CD1 3.95Å; W291-L422 HydrophobicContact CH2-CB 3.93Å; W291-L422 HydrophobicContact CZ3-CB 4.42Å; W291-L422 VanDerWaalsContact CZ3-O 3.27Å; W291-L422 WeakPolarHBondContact CZ3-O 3.4Å; W291-L424 HydrophobicContact CE3-CD1 4.31Å; W291-L424 HydrophobicContact CH2-CD1 3.51Å; W291-L424 HydrophobicContact CH2-CG 3.7Å; W291-L424 HydrophobicContact CZ2-CD1 3.97Å; W291-L424 HydrophobicContact CZ3-CB 4.29Å; W291-L424 HydrophobicContact CZ3-CD1 3.7Å; W291-L424 HydrophobicContact CZ3-CG 3.69Å
292	V	96.1	Very high	90.9	Very high	80 Å²	80	62.8 Å²	62.8	49%	0.485	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.1	-178.8	-172.7	0	0	0	0	110	V294 H319	V292-V294 HydrophobicContact CB-CG1 4.23Å; V292-V294 HydrophobicContact CG1-CG1 3.85Å; V292-V294 PolarHBondContact O-N 2.68Å; V292-H319 PolarHBondContact N-O 2.74Å; V292-H319 PolarHBondContact O-N 2.59Å
293	R	96.9	Very high	90.7	Very high	60 Å²	60	61.8 Å²	61.8	23%	0.226	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.2	171.9	-176.3	-178.2	177.9	-98.6	3.2	109.5	F273 E274 I278 Y316 F317 M318	F273-R293 VanDerWaalsContact O-CZ 3.26Å; F273-R293 PolarHBondContact O-NE 3.12Å; F273-R293 PolarHBondContact O-NH2 3.48Å; E274-R293 VanDerWaalsContact C-NH2 3.26Å; E274-R293 PolarHBondContact O-NH2 2.82Å; I278-R293 HydrophobicContact CG2-CG 4.48Å; R293-Y316 HydrophobicContact CG-CD1 4.01Å; R293-Y316 HydrophobicContact CG-CG 4.39Å; R293-F317 WeakPolarHBondContact CA-O 3.26Å; R293-M318 HydrophobicContact CB-CE 4.5Å; R293-M318 HydrophobicContact CB-SD 3.71Å; R293-M318 HydrophobicContact CG-SD 4.29Å
294	V	95.6	Very high	90.7	Very high	33 Å²	33	59.2 Å²	59.2	20%	0.2	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.4	-175.1	-61.9	0	0	0	0	111.3	V292 Y316 F317 H319	V292-V294 HydrophobicContact CB-CG1 4.23Å; V292-V294 HydrophobicContact CG1-CG1 3.85Å; V292-V294 PolarHBondContact O-N 2.68Å; V294-Y316 WeakPolarHBondContact O-CA 3.18Å; V294-F317 HydrophobicContact CG2-CD2 3.91Å; V294-F317 HydrophobicContact CG2-CE1 4.19Å; V294-F317 HydrophobicContact CG2-CE2 3.45Å; V294-F317 VanDerWaalsContact CG2-CE2 3.45Å; V294-F317 HydrophobicContact CG2-CG 4.48Å; V294-F317 HydrophobicContact CG2-CZ 3.61Å; V294-F317 PolarHBondContact N-O 2.99Å; V294-F317 PolarHBondContact O-N 2.63Å; V294-H319 HydrophobicContact CG2-CB 3.58Å
295	V	94.4	Very high	91.2	Very high	61 Å²	61	58.8 Å²	58.8	37%	0.37	34%	0.341	S	S	.	.	S	Bend	trans	-96.4	-20.8	173.8	-62	0	0	0	0	112.5	Y316	V295-Y316 HydrophobicContact CG1-CD1 3.61Å; V295-Y316 HydrophobicContact CG1-CE1 3.36Å; V295-Y316 HydrophobicContact CG1-CG 4.34Å
296	S	94.2	Very high	91.9	Very high	60 Å²	60	49.4 Å²	49.4	42%	0.42	30%	0.298	S	S	.	.			trans	-161.2	160.1	-178.6	62.6	0	0	0	0	110	D302	S296-D302 WeakPolarHBondContact CB-O 3.43Å
297	A	94.1	Very high	92.5	Very high	9 Å²	9	48.2 Å²	48.2	7%	0.074	27%	0.273	C	S	.	.			trans	-134.3	141.3	174	0	0	0	0	0	111.6	G299 G300 P301 F317	A297-G299 VanDerWaalsContact C-N 3.26Å; A297-G299 PolarHBondContact O-N 2.85Å; A297-G299 VanDerWaalsContact O-N 3.15Å; A297-G300 WeakPolarHBondContact O-CA 3.44Å; A297-G300 PolarHBondContact O-N 3.4Å; A297-P301 PolarHBondContact N-O 2.99Å; A297-F317 HydrophobicContact CB-CE2 4.45Å; A297-F317 HydrophobicContact CB-CZ 4.28Å
298	D	88.4	Confident	92.6	Very high	165 Å²	165	49.4 Å²	49.4	88%	0.882	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.5	-170.8	-69.6	-18.6	0	0	0	114.9	A419	D298-A419 HydrophobicContact CB-CB 3.98Å
299	G	88.8	Confident	91.9	Very high	27 Å²	27	45.3 Å²	45.3	28%	0.278	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.7	173.1	0	0	0	0	0	113.7	A297 S354 A419	A297-G299 VanDerWaalsContact C-N 3.26Å; A297-G299 PolarHBondContact O-N 2.85Å; A297-G299 VanDerWaalsContact O-N 3.15Å; G299-S354 WeakPolarHBondContact O-CB 3.38Å; G299-S354 PolarHBondContact O-OG 3.22Å; G299-A419 WeakPolarHBondContact CA-O 3.33Å; G299-A419 PolarHBondContact N-O 3.4Å; G299-A419 VanDerWaalsContact N-O 3.08Å
300	G	91.6	Very high	91.3	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	29%	0.288	C	S	.	.	S	Bend	trans	88	152.2	-170.1	0	0	0	0	0	113	A297 Y352 S354	A297-G300 WeakPolarHBondContact O-CA 3.44Å; A297-G300 PolarHBondContact O-N 3.4Å; G300-Y352 VanDerWaalsContact C-CE1 3.44Å; G300-S354 PolarHBondContact O-OG 2.8Å
301	P	93.4	Very high	90.6	Very high	4 Å²	4	50 Å²	50	3%	0.026	29%	0.288	C	S	.	.			cis	-83.8	150.8	4.6	28.9	-26.2	0	0	0	113.2	A297 T303 F317 Y352 W391 S423	A297-P301 PolarHBondContact N-O 2.99Å; P301-T303 WeakPolarHBondContact CB-O 3.35Å; P301-T303 PolarHBondContact O-N 3.36Å; P301-F317 HydrophobicContact CG-CD2 4.46Å; P301-F317 HydrophobicContact CG-CE1 4.13Å; P301-F317 HydrophobicContact CG-CE2 3.86Å; P301-F317 HydrophobicContact CG-CZ 3.67Å; P301-Y352 HydrophobicContact CB-CD1 4.34Å; P301-Y352 HydrophobicContact CB-CD2 3.69Å; P301-Y352 HydrophobicContact CB-CE1 4.46Å; P301-Y352 HydrophobicContact CB-CE2 3.82Å; P301-Y352 HydrophobicContact CB-CG 3.97Å; P301-Y352 HydrophobicContact CG-CD1 4.23Å; P301-Y352 HydrophobicContact CG-CD2 4.08Å; P301-Y352 HydrophobicContact CG-CG 3.87Å; P301-W391 HydrophobicContact CB-CZ2 3.97Å; P301-W391 HydrophobicContact CG-CH2 3.9Å; P301-W391 HydrophobicContact CG-CZ2 3.2Å; P301-S423 VanDerWaalsContact CD-OG 3.24Å; P301-S423 WeakPolarHBondContact CD-OG 3.41Å
302	D	92.1	Very high	89.3	Confident	134 Å²	134	56.8 Å²	56.8	72%	0.717	33%	0.33	S	S	*	.	S	Bend	trans	-72	-21.9	177.3	-66.3	-31.6	0	0	0	112.6	S296	S296-D302 WeakPolarHBondContact CB-O 3.43Å
303	T	92.8	Very high	88	Confident	48 Å²	48	56.1 Å²	56.1	29%	0.294	34%	0.34	S	S	.	.	S	Bend	trans	-141.6	158.9	-179.4	70.5	0	0	0	0	110.6	P301 W391	P301-T303 WeakPolarHBondContact CB-O 3.35Å; P301-T303 PolarHBondContact O-N 3.36Å; T303-W391 PolarHBondContact O-NE1 2.91Å
304	D	94.4	Very high	87.2	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	34%	0.344	C	S	.	.			trans	-57	163.6	163.4	74.1	-39.5	0	0	0	111.9	S306 N307 M308 G315 F317	D304-S306 VanDerWaalsContact OD2-CB 3.25Å; D304-S306 WeakPolarHBondContact OD2-CB 3.33Å; D304-S306 PolarHBondContact OD2-N 3.25Å; D304-N307 WeakPolarHBondContact OD2-CB 3.38Å; D304-N307 PolarHBondContact OD2-N 3.02Å; D304-N307 PolarHBondContact OD2-ND2 2.94Å; D304-M308 WeakPolarHBondContact O-CA 3.47Å; D304-M308 PolarHBondContact O-N 3.13Å; D304-G315 VanDerWaalsContact OD2-CA 3.22Å; D304-G315 WeakPolarHBondContact OD2-CA 3.28Å; D304-F317 HydrophobicContact CB-CD1 4.08Å
305	Y	95.3	Very high	87	Confident	4 Å²	4	54 Å²	54	2%	0.016	34%	0.335	C	S	.	.	S	Bend	trans	-85.7	-32.8	169.6	-173.6	-99.7	0	0	0	111.3	N307 M308 F350 W391 D425 D426 Q517 K589	Y305-N307 VanDerWaalsContact C-N 3.34Å; Y305-N307 PolarHBondContact O-N 2.02Å; Y305-M308 HydrophobicContact CD2-SD 3.55Å; Y305-M308 VanDerWaalsContact CD2-SD 3.55Å; Y305-M308 HydrophobicContact CE2-SD 4.05Å; Y305-M308 HydrophobicContact CG-SD 4.28Å; Y305-M308 WeakPolarHBondContact O-CG 3.46Å; Y305-M308 PolarHBondContact O-N 2.7Å; Y305-F350 HydrophobicContact CD1-CB 3.97Å; Y305-F350 AromaticContact CD1-CD1 3.74Å; Y305-F350 HydrophobicContact CD1-CD1 3.74Å; Y305-F350 AromaticContact CD1-CD2 3.38Å; Y305-F350 HydrophobicContact CD1-CD2 3.38Å; Y305-F350 HydrophobicContact CD1-CE1 4.04Å; Y305-F350 AromaticContact CD1-CE2 3.71Å; Y305-F350 HydrophobicContact CD1-CE2 3.71Å; Y305-F350 AromaticContact CD1-CG 3.38Å; Y305-F350 HydrophobicContact CD1-CG 3.38Å; Y305-F350 HydrophobicContact CD1-CZ 4.03Å; Y305-F350 AromaticContact CD2-CD1 3.9Å; Y305-F350 HydrophobicContact CD2-CD1 3.9Å; Y305-F350 HydrophobicContact CD2-CE1 4.29Å; Y305-F350 HydrophobicContact CD2-CG 4.25Å; Y305-F350 AromaticContact CE1-CD1 3.58Å; Y305-F350 HydrophobicContact CE1-CD1 3.58Å; Y305-F350 AromaticContact CE1-CD2 3.36Å; Y305-F350 HydrophobicContact CE1-CD2 3.36Å; Y305-F350 AromaticContact CE1-CE1 3.37Å; Y305-F350 HydrophobicContact CE1-CE1 3.37Å; Y305-F350 AromaticContact CE1-CE2 3.14Å; Y305-F350 HydrophobicContact CE1-CE2 3.14Å; Y305-F350 AromaticContact CE1-CG 3.56Å; Y305-F350 HydrophobicContact CE1-CG 3.56Å; Y305-F350 AromaticContact CE1-CZ 3.14Å; Y305-F350 HydrophobicContact CE1-CZ 3.14Å; Y305-F350 AromaticContact CE2-CD1 3.7Å; Y305-F350 HydrophobicContact CE2-CD1 3.7Å; Y305-F350 AromaticContact CE2-CE1 3.62Å; Y305-F350 HydrophobicContact CE2-CE1 3.62Å; Y305-F350 HydrophobicContact CE2-CG 4.36Å; Y305-F350 HydrophobicContact CE2-CZ 4.22Å; Y305-F350 HydrophobicContact CG-CB 4.02Å; Y305-F350 AromaticContact CG-CD1 3.91Å; Y305-F350 HydrophobicContact CG-CD1 3.91Å; Y305-F350 HydrophobicContact CG-CD2 4.23Å; Y305-F350 HydrophobicContact CG-CE1 4.47Å; Y305-F350 AromaticContact CG-CG 3.77Å; Y305-F350 HydrophobicContact CG-CG 3.77Å; Y305-F350 AromaticContact CZ-CD1 3.53Å; Y305-F350 AromaticContact CZ-CE1 3.09Å; Y305-F350 AromaticContact CZ-CE2 3.79Å; Y305-F350 AromaticContact CZ-CZ 3.24Å; Y305-F350 WeakPolarHBondContact OH-CE1 3.33Å; Y305-F350 WeakPolarHBondContact OH-CZ 3.4Å; Y305-W391 HydrophobicContact CD2-CB 3.52Å; Y305-W391 AromaticContact CD2-CD1 3.84Å; Y305-W391 HydrophobicContact CD2-CD2 4.45Å; Y305-W391 AromaticContact CD2-CG 3.68Å; Y305-W391 HydrophobicContact CD2-CG 3.68Å; Y305-W391 HydrophobicContact CE2-CB 4.14Å; Y305-W391 HydrophobicContact CG-CB 4.23Å; Y305-W391 HydrophobicContact CG-CD2 4.45Å; Y305-W391 HydrophobicContact CG-CG 4.14Å; Y305-D425 WeakPolarHBondContact CA-OD2 3.42Å; Y305-D425 PolarHBondContact N-OD2 2.9Å; Y305-D426 HydrophobicContact CD1-CB 4.24Å; Y305-D426 WeakPolarHBondContact CD1-OD2 3.4Å; Y305-Q517 PolarHBondContact OH-OE1 2.87Å; Y305-K589 HydrophobicContact CE1-CD 3.91Å; Y305-K589 HydrophobicContact CE2-CD 4.41Å; Y305-K589 WeakPolarHBondContact O-CE 3.48Å; Y305-K589 PolarHBondContact O-NZ 2.94Å
306	S	93.3	Very high	87.1	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.035	33%	0.331	C	S	.	.	S	Bend	trans	-51.7	-50.5	-175.9	-57.8	0	0	0	0	112.6	D304 D425 D426 K589	D304-S306 VanDerWaalsContact OD2-CB 3.25Å; D304-S306 WeakPolarHBondContact OD2-CB 3.33Å; D304-S306 PolarHBondContact OD2-N 3.25Å; S306-D425 PolarHBondContact N-OD2 2.7Å; S306-D425 PolarHBondContact OG-OD1 2.87Å; S306-D425 VanDerWaalsContact OG-OD1 3.14Å; S306-D425 PolarHBondContact OG-OD2 2.69Å; S306-D426 PolarHBondContact OG-OD1 3.24Å; S306-K589 WeakPolarHBondContact O-CE 3.25Å; S306-K589 PolarHBondContact O-NZ 3.48Å
307	N	89.3	Confident	87.3	Confident	52 Å²	52	51.5 Å²	51.5	28%	0.278	31%	0.311	S	S	.	.	S	Bend	trans	-106.8	-14.4	-178.6	-60	-78.3	0	0	0	113.7	E274 D304 Y305 G309 K310	E274-N307 PolarHBondContact OE1-ND2 3.45Å; D304-N307 WeakPolarHBondContact OD2-CB 3.38Å; D304-N307 PolarHBondContact OD2-N 3.02Å; D304-N307 PolarHBondContact OD2-ND2 2.94Å; Y305-N307 VanDerWaalsContact C-N 3.34Å; Y305-N307 PolarHBondContact O-N 2.02Å; N307-G309 PolarHBondContact O-N 2.75Å; N307-K310 VanDerWaalsContact O-CB 3.25Å; N307-K310 WeakPolarHBondContact O-CB 3.27Å; N307-K310 WeakPolarHBondContact O-CD 3.16Å; N307-K310 WeakPolarHBondContact O-CG 3.33Å; N307-K310 PolarHBondContact O-N 3.42Å
308	M	86.1	Confident	87.5	Confident	57 Å²	57	51.2 Å²	51.2	28%	0.281	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	37	-174.8	-67.4	-61.8	-72.7	0	0	113	D304 Y305 K310 K589	D304-M308 WeakPolarHBondContact O-CA 3.47Å; D304-M308 PolarHBondContact O-N 3.13Å; Y305-M308 HydrophobicContact CD2-SD 3.55Å; Y305-M308 VanDerWaalsContact CD2-SD 3.55Å; Y305-M308 HydrophobicContact CE2-SD 4.05Å; Y305-M308 HydrophobicContact CG-SD 4.28Å; Y305-M308 WeakPolarHBondContact O-CG 3.46Å; Y305-M308 PolarHBondContact O-N 2.7Å; M308-K310 PolarHBondContact O-N 3.05Å; M308-K310 VanDerWaalsContact O-N 3.15Å; M308-K589 HydrophobicContact CG-CD 4.31Å; M308-K589 HydrophobicContact CG-CG 3.69Å
309	G	72.8	Confident	87.9	Confident	28 Å²	28	44.1 Å²	44.1	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	15.4	-178.4	0	0	0	0	0	115.5	N307 C311	N307-G309 PolarHBondContact O-N 2.75Å; G309-C311 PolarHBondContact O-N 3.45Å
310	K	78.9	Confident	88.2	Confident	138 Å²	138	42.9 Å²	42.9	60%	0.6	26%	0.256	S	S	*	.	S	Bend	trans	-52.3	-27.5	172.6	-77	173	-172.8	177.1	0	112.1	N307 M308 D586	N307-K310 VanDerWaalsContact O-CB 3.25Å; N307-K310 WeakPolarHBondContact O-CB 3.27Å; N307-K310 WeakPolarHBondContact O-CD 3.16Å; N307-K310 WeakPolarHBondContact O-CG 3.33Å; N307-K310 PolarHBondContact O-N 3.42Å; M308-K310 PolarHBondContact O-N 3.05Å; M308-K310 VanDerWaalsContact O-N 3.15Å; K310-D586 IonicContact NZ-OD1 2.65Å; K310-D586 PolarHBondContact NZ-OD1 2.86Å
311	C	77.8	Confident	88.4	Confident	73 Å²	73	44.3 Å²	44.3	49%	0.493	27%	0.266	S	S	.	.	S	Bend	trans	-125	116.7	173.9	-71	0	0	0	0	109.7	G309 G313 S314	G309-C311 PolarHBondContact O-N 3.45Å; C311-G313 PolarHBondContact O-N 3.4Å; C311-S314 VanDerWaalsContact C-OG 3.31Å; C311-S314 WeakPolarHBondContact CB-OG 3.49Å; C311-S314 PolarHBondContact O-N 3.48Å; C311-S314 PolarHBondContact O-OG 3.42Å
312	T	69.8	Low	88.4	Confident	148 Å²	148	44.1 Å²	44.1	91%	0.908	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	128.6	-176.6	-49	0	0	0	0	111.5	S314	T312-S314 VanDerWaalsContact C-N 3.29Å
313	G	68.1	Low	88.2	Confident	67 Å²	67	39.1 Å²	39.1	69%	0.691	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	15.9	179.2	0	0	0	0	0	114.6	C311	C311-G313 PolarHBondContact O-N 3.4Å
314	S	80.5	Confident	88	Confident	46 Å²	46	42.4 Å²	42.4	32%	0.322	27%	0.265	S	S	.	.			trans	-131	158	173.1	56.9	0	0	0	0	109.8	C311 T312	C311-S314 VanDerWaalsContact C-OG 3.31Å; C311-S314 WeakPolarHBondContact CB-OG 3.49Å; C311-S314 PolarHBondContact O-N 3.48Å; C311-S314 PolarHBondContact O-OG 3.42Å; T312-S314 VanDerWaalsContact C-N 3.29Å
315	G	91.9	Very high	87.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	27%	0.271	C	S	.	.			trans	99.1	131.5	-166.9	0	0	0	0	0	110.8	E274 D304	E274-G315 VanDerWaalsContact OE1-CA 3.29Å; E274-G315 WeakPolarHBondContact OE1-CA 3.38Å; D304-G315 VanDerWaalsContact OD2-CA 3.22Å; D304-G315 WeakPolarHBondContact OD2-CA 3.28Å
316	Y	95.9	Very high	87.7	Confident	70 Å²	70	48.4 Å²	48.4	28%	0.275	30%	0.299	S	S	.	.			trans	-136.4	150.6	180	-65.9	-95.4	0	0	0	111.3	F273 E274 R293 V294 V295	F273-Y316 WeakPolarHBondContact O-CB 3.33Å; E274-Y316 PolarHBondContact OE1-N 3.11Å; E274-Y316 VanDerWaalsContact OE1-N 3.08Å; R293-Y316 HydrophobicContact CG-CD1 4.01Å; R293-Y316 HydrophobicContact CG-CG 4.39Å; V294-Y316 WeakPolarHBondContact O-CA 3.18Å; V295-Y316 HydrophobicContact CG1-CD1 3.61Å; V295-Y316 HydrophobicContact CG1-CE1 3.36Å; V295-Y316 HydrophobicContact CG1-CG 4.34Å
317	F	97.6	Very high	87.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	165.3	173.5	60.3	-89.7	0	0	0	110.1	R293 V294 A297 P301 D304 H319 W391 L424 D425	R293-F317 WeakPolarHBondContact CA-O 3.26Å; V294-F317 HydrophobicContact CG2-CD2 3.91Å; V294-F317 HydrophobicContact CG2-CE1 4.19Å; V294-F317 HydrophobicContact CG2-CE2 3.45Å; V294-F317 VanDerWaalsContact CG2-CE2 3.45Å; V294-F317 HydrophobicContact CG2-CG 4.48Å; V294-F317 HydrophobicContact CG2-CZ 3.61Å; V294-F317 PolarHBondContact N-O 2.99Å; V294-F317 PolarHBondContact O-N 2.63Å; A297-F317 HydrophobicContact CB-CE2 4.45Å; A297-F317 HydrophobicContact CB-CZ 4.28Å; P301-F317 HydrophobicContact CG-CD2 4.46Å; P301-F317 HydrophobicContact CG-CE1 4.13Å; P301-F317 HydrophobicContact CG-CE2 3.86Å; P301-F317 HydrophobicContact CG-CZ 3.67Å; D304-F317 HydrophobicContact CB-CD1 4.08Å; F317-H319 HydrophobicContact CD2-CB 4.21Å; F317-H319 HydrophobicContact CE2-CB 3.89Å; F317-W391 HydrophobicContact CB-CH2 3.93Å; F317-W391 HydrophobicContact CB-CZ2 4.29Å; F317-W391 HydrophobicContact CD1-CZ2 4.28Å; F317-W391 HydrophobicContact CD2-CH2 4.1Å; F317-W391 HydrophobicContact CD2-CZ2 4.4Å; F317-W391 AromaticContact CG-CH2 3.99Å; F317-W391 HydrophobicContact CG-CH2 3.99Å; F317-W391 HydrophobicContact CG-CZ2 4.09Å; F317-L424 WeakPolarHBondContact CB-O 3.1Å; F317-D425 HydrophobicContact CB-CB 4Å
318	M	98.3	Very high	87.7	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.5	174.5	-63.8	-59.4	-58.1	0	0	109.8	F273 I278 W291 R293 L333 S423 L424	F273-M318 HydrophobicContact CD1-CG 3.54Å; F273-M318 HydrophobicContact CD1-SD 3.99Å; F273-M318 HydrophobicContact CD2-CG 4.07Å; F273-M318 HydrophobicContact CE1-CG 3.29Å; F273-M318 HydrophobicContact CE1-SD 4.16Å; F273-M318 HydrophobicContact CE2-CB 4.42Å; F273-M318 HydrophobicContact CE2-CG 3.84Å; F273-M318 HydrophobicContact CG-CG 3.91Å; F273-M318 HydrophobicContact CZ-CB 4.28Å; F273-M318 HydrophobicContact CZ-CG 3.44Å; F273-M318 VanDerWaalsContact CZ-CG 3.44Å; I278-M318 HydrophobicContact CG2-SD 4.09Å; W291-M318 HydrophobicContact CB-CE 3.58Å; W291-M318 HydrophobicContact CE3-CB 3.94Å; W291-M318 WeakPolarHBondContact O-CE 3.3Å; R293-M318 HydrophobicContact CB-CE 4.5Å; R293-M318 HydrophobicContact CB-SD 3.71Å; R293-M318 HydrophobicContact CG-SD 4.29Å; M318-L333 HydrophobicContact CB-CD2 4.14Å; M318-L333 HydrophobicContact CE-CD1 4.21Å; M318-L333 HydrophobicContact CE-CD2 4.45Å; M318-L333 HydrophobicContact CG-CD2 3.88Å; M318-S423 CarbonylContact O-C 3.5Å; M318-S423 WeakPolarHBondContact O-CA 3.3Å; M318-L424 PolarHBondContact N-O 2.91Å; M318-L424 PolarHBondContact O-N 3.18Å
319	H	97.6	Very high	88	Confident	16 Å²	16	51 Å²	51	7%	0.074	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130	-178.4	-174.6	76.7	0	0	0	111.8	V292 V294 F317 L422 S423	V292-H319 PolarHBondContact N-O 2.74Å; V292-H319 PolarHBondContact O-N 2.59Å; V294-H319 HydrophobicContact CG2-CB 3.58Å; F317-H319 HydrophobicContact CD2-CB 4.21Å; F317-H319 HydrophobicContact CE2-CB 3.89Å; H319-L422 CarbonylContact C-O 3.41Å; H319-L422 WeakPolarHBondContact CA-O 3.35Å; H319-S423 PolarHBondContact ND1-OG 3.25Å
320	F	95.9	Very high	89.1	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.1	166.9	167.4	-135.3	0	0	0	109.2	A289 W291 T322 A325 A331 G421 L422	A289-F320 HydrophobicContact CB-CD2 4.24Å; A289-F320 HydrophobicContact CB-CE2 3.56Å; A289-F320 HydrophobicContact CB-CZ 4.42Å; W291-F320 HydrophobicContact CD2-CB 3.88Å; W291-F320 HydrophobicContact CE3-CB 3.92Å; W291-F320 HydrophobicContact CG-CB 4.45Å; W291-F320 HydrophobicContact CH2-CB 4.2Å; W291-F320 HydrophobicContact CZ2-CB 4.17Å; W291-F320 HydrophobicContact CZ3-CB 4.08Å; F320-T322 HydrophobicContact CD1-CG2 3.74Å; F320-T322 HydrophobicContact CE1-CG2 3.5Å; F320-T322 HydrophobicContact CG-CG2 4.48Å; F320-T322 HydrophobicContact CZ-CG2 4.03Å; F320-T322 PolarHBondContact O-N 2.65Å; F320-A325 HydrophobicContact CE2-CB 4.02Å; F320-A325 HydrophobicContact CZ-CB 4.06Å; F320-A331 HydrophobicContact CB-CB 4.27Å; F320-A331 HydrophobicContact CD1-CB 4.15Å; F320-A331 HydrophobicContact CD2-CB 3.44Å; F320-A331 VanDerWaalsContact CD2-CB 3.44Å; F320-A331 HydrophobicContact CE1-CB 4.36Å; F320-A331 HydrophobicContact CE2-CB 3.73Å; F320-A331 HydrophobicContact CG-CB 3.69Å; F320-A331 HydrophobicContact CZ-CB 4.17Å; F320-G421 CarbonylContact O-C 3.47Å; F320-G421 WeakPolarHBondContact O-CA 3.44Å; F320-L422 HydrophobicContact CB-CB 4.42Å; F320-L422 HydrophobicContact CD1-CB 4.48Å; F320-L422 HydrophobicContact CD1-CD1 4.06Å; F320-L422 HydrophobicContact CD1-CG 4.22Å; F320-L422 PolarHBondContact N-O 3.33Å; F320-L422 PolarHBondContact O-N 3.4Å
321	S	94.8	Very high	90	Very high	36 Å²	36	44.5 Å²	44.5	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	100.5	179.1	-170.8	0	0	0	0	110.8	G323 T324	S321-G323 VanDerWaalsContact C-N 3.34Å; S321-T324 PolarHBondContact O-OG1 3.34Å; S321-T324 PolarHBondContact OG-OG1 2.79Å
322	T	92.4	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-76	-25.9	178.8	63	0	0	0	0	111.7	F320 T324 A325 A355 D359 K412 G420 L422	F320-T322 HydrophobicContact CD1-CG2 3.74Å; F320-T322 HydrophobicContact CE1-CG2 3.5Å; F320-T322 HydrophobicContact CG-CG2 4.48Å; F320-T322 HydrophobicContact CZ-CG2 4.03Å; F320-T322 PolarHBondContact O-N 2.65Å; T322-T324 PolarHBondContact O-N 2.8Å; T322-A325 PolarHBondContact O-N 2.72Å; T322-A355 HydrophobicContact CG2-CB 4.1Å; T322-A355 WeakPolarHBondContact OG1-CB 3.2Å; T322-D359 WeakPolarHBondContact CB-OD2 3.22Å; T322-D359 HydrophobicContact CG2-CB 4.31Å; T322-D359 PolarHBondContact OG1-OD2 2.83Å; T322-D359 VanDerWaalsContact OG1-OD2 3.09Å; T322-K412 HydrophobicContact CG2-CD 4.34Å; T322-K412 WeakPolarHBondContact O-CD 3.45Å; T322-K412 VanDerWaalsContact O-CE 3.23Å; T322-K412 WeakPolarHBondContact O-CE 3.43Å; T322-G420 PolarHBondContact N-O 3.37Å; T322-G420 PolarHBondContact OG1-O 2.92Å; T322-L422 HydrophobicContact CG2-CG 4.13Å
323	G	88.1	Confident	92.3	Very high	29 Å²	29	34.8 Å²	34.8	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.6	177.5	0	0	0	0	0	114.5	S321 P417 A418 G420	S321-G323 VanDerWaalsContact C-N 3.34Å; G323-P417 WeakPolarHBondContact CA-O 3.25Å; G323-A418 WeakPolarHBondContact CA-O 3.18Å; G323-G420 PolarHBondContact N-O 2.75Å
324	T	88.5	Confident	93.7	Very high	117 Å²	117	32 Å²	32	72%	0.718	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.1	176.8	55.3	0	0	0	0	114.1	S321 T322	S321-T324 PolarHBondContact O-OG1 3.34Å; S321-T324 PolarHBondContact OG-OG1 2.79Å; T322-T324 PolarHBondContact O-N 2.8Å
325	A	91.3	Very high	94.6	Very high	16 Å²	16	30.1 Å²	30.1	13%	0.132	19%	0.188	C	C	.	.	S	Bend	trans	-91	152	-178.1	0	0	0	0	0	111.7	F320 T322 D329 K412	F320-A325 HydrophobicContact CE2-CB 4.02Å; F320-A325 HydrophobicContact CZ-CB 4.06Å; T322-A325 PolarHBondContact O-N 2.72Å; A325-D329 HydrophobicContact CB-CB 4.1Å; A325-K412 HydrophobicContact CB-CB 4.26Å; A325-K412 HydrophobicContact CB-CG 4.46Å
326	N	91.9	Very high	94.8	Very high	115 Å²	115	34.1 Å²	34.1	62%	0.615	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-81	153.4	173.7	-53	-75.1	0	0	0	110.9	G328 D329 K412	N326-G328 PolarHBondContact O-N 2.77Å; N326-D329 WeakPolarHBondContact CA-OD2 3.27Å; N326-D329 VanDerWaalsContact CB-OD2 3.3Å; N326-D329 WeakPolarHBondContact CB-OD2 3.5Å; N326-D329 PolarHBondContact N-OD2 2.73Å; N326-D329 PolarHBondContact ND2-OD2 3.33Å; N326-D329 VanDerWaalsContact O-CB 3.23Å; N326-D329 WeakPolarHBondContact O-CB 3.46Å; N326-D329 PolarHBondContact O-N 2.81Å; N326-K412 VanDerWaalsContact O-CB 3.31Å; N326-K412 WeakPolarHBondContact O-CB 3.49Å; N326-K412 VanDerWaalsContact O-CG 3.3Å; N326-K412 WeakPolarHBondContact O-CG 3.47Å
327	T	91.9	Very high	94.8	Very high	104 Å²	104	33.4 Å²	33.4	64%	0.638	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	123	172.2	-63.7	0	0	0	0	111.1	G413	T327-G413 WeakPolarHBondContact CA-O 3.44Å; T327-G413 WeakPolarHBondContact CB-O 3.16Å; T327-G413 WeakPolarHBondContact CG2-O 3.44Å; T327-G413 PolarHBondContact OG1-O 3.41Å
328	G	90.8	Very high	94.8	Very high	42 Å²	42	33.7 Å²	33.7	43%	0.433	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-9.1	-177.5	0	0	0	0	0	115	N326 K412	N326-G328 PolarHBondContact O-N 2.77Å; G328-K412 WeakPolarHBondContact CA-O 3.38Å; G328-K412 PolarHBondContact N-O 2.7Å
329	D	93.9	Very high	94.7	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.112	23%	0.232	C	C	.	.			trans	-64	139.3	174.8	-73.2	-8.9	0	0	0	110.1	Q288 A325 N326 K412	Q288-D329 HydrophobicContact CB-CB 3.93Å; Q288-D329 WeakPolarHBondContact CB-OD1 3.39Å; Q288-D329 WeakPolarHBondContact CG-OD1 3.31Å; A325-D329 HydrophobicContact CB-CB 4.1Å; N326-D329 WeakPolarHBondContact CA-OD2 3.27Å; N326-D329 VanDerWaalsContact CB-OD2 3.3Å; N326-D329 WeakPolarHBondContact CB-OD2 3.5Å; N326-D329 PolarHBondContact N-OD2 2.73Å; N326-D329 PolarHBondContact ND2-OD2 3.33Å; N326-D329 VanDerWaalsContact O-CB 3.23Å; N326-D329 WeakPolarHBondContact O-CB 3.46Å; N326-D329 PolarHBondContact O-N 2.81Å; D329-K412 PolarHBondContact O-N 3.25Å
330	T	95.4	Very high	94.7	Very high	31 Å²	31	40.6 Å²	40.6	19%	0.19	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.1	174.8	55.9	0	0	0	0	110.5	D287 Q288 A289 E409 G410 T411	D287-T330 WeakPolarHBondContact CB-O 3.44Å; Q288-T330 PolarHBondContact N-O 3.49Å; Q288-T330 PolarHBondContact OE1-OG1 2.7Å; Q288-T330 VanDerWaalsContact OE1-OG1 3.06Å; A289-T330 PolarHBondContact N-O 3.31Å; T330-E409 HydrophobicContact CG2-CG 4.41Å; T330-G410 CarbonylContact C-O 3.54Å; T330-G410 WeakPolarHBondContact CA-O 3.43Å; T330-T411 HydrophobicContact CG2-CG2 4.1Å
331	A	96.8	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.3	166.7	0	0	0	0	0	109.7	A289 W291 F320 E409 G410	A289-A331 HydrophobicContact CB-CB 4.23Å; A289-A331 WeakPolarHBondContact O-CA 3.2Å; A289-A331 VanDerWaalsContact O-CB 3.28Å; A289-A331 WeakPolarHBondContact O-CB 3.45Å; W291-A331 PolarHBondContact NE1-O 3.06Å; F320-A331 HydrophobicContact CB-CB 4.27Å; F320-A331 HydrophobicContact CD1-CB 4.15Å; F320-A331 HydrophobicContact CD2-CB 3.44Å; F320-A331 VanDerWaalsContact CD2-CB 3.44Å; F320-A331 HydrophobicContact CE1-CB 4.36Å; F320-A331 HydrophobicContact CE2-CB 3.73Å; F320-A331 HydrophobicContact CG-CB 3.69Å; F320-A331 HydrophobicContact CZ-CB 4.17Å; A331-E409 WeakPolarHBondContact O-CA 3.36Å; A331-G410 PolarHBondContact N-O 2.92Å; A331-G410 PolarHBondContact O-N 3.21Å
332	V	97.8	Very high	94.5	Very high	17 Å²	17	49.6 Å²	49.6	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.1	-172.9	179	0	0	0	0	110.7	Q283 G284 D287 E334 V407 F408 E409	Q283-V332 CarbonylContact C-O 3.49Å; Q283-V332 WeakPolarHBondContact CA-O 3.31Å; Q283-V332 PolarHBondContact OE1-O 3.21Å; G284-V332 PolarHBondContact N-O 3.44Å; D287-V332 HydrophobicContact CB-CG2 4.35Å; D287-V332 WeakPolarHBondContact OD2-CB 3.07Å; D287-V332 PolarHBondContact OD2-N 2.87Å; V332-E334 HydrophobicContact CG1-CG 3.9Å; V332-V407 HydrophobicContact CG1-CG1 3.58Å; V332-F408 WeakPolarHBondContact CA-O 3.49Å; V332-E409 HydrophobicContact CG2-CB 4.39Å; V332-E409 HydrophobicContact CG2-CG 4.2Å
333	L	98.4	Very high	94.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.5	170.9	-177.4	70	0	0	0	109.1	F273 M281 W291 M318 F408	F273-L333 HydrophobicContact CZ-CD2 4.46Å; M281-L333 HydrophobicContact CB-CD1 3.98Å; M281-L333 HydrophobicContact CB-CG 4.45Å; M281-L333 HydrophobicContact CE-CD2 3.96Å; M281-L333 HydrophobicContact CE-CG 3.87Å; M281-L333 HydrophobicContact SD-CD2 4.03Å; M281-L333 HydrophobicContact SD-CG 4.28Å; W291-L333 HydrophobicContact CB-CB 4.33Å; W291-L333 HydrophobicContact CD2-CB 4.34Å; W291-L333 HydrophobicContact CG-CB 3.83Å; M318-L333 HydrophobicContact CB-CD2 4.14Å; M318-L333 HydrophobicContact CE-CD1 4.21Å; M318-L333 HydrophobicContact CE-CD2 4.45Å; M318-L333 HydrophobicContact CG-CD2 3.88Å; L333-F408 HydrophobicContact CB-CB 4.36Å; L333-F408 PolarHBondContact N-O 3.06Å; L333-F408 PolarHBondContact O-N 3.25Å
334	E	98.1	Very high	95	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.2	179.4	-49.8	-163.4	-160.9	0	0	111.6	M281 I282 V332 R366 R405 V406 V407	M281-E334 CarbonylContact C-O 3.53Å; M281-E334 WeakPolarHBondContact CA-O 2.99Å; M281-E334 WeakPolarHBondContact CB-O 3.49Å; I282-E334 HydrophobicContact CD1-CB 4.46Å; I282-E334 HydrophobicContact CG1-CB 3.84Å; I282-E334 HydrophobicContact CG1-CG 4.47Å; I282-E334 PolarHBondContact N-O 3.4Å; I282-E334 PolarHBondContact O-N 2.92Å; V332-E334 HydrophobicContact CG1-CG 3.9Å; E334-R366 IonicContact OE1-CZ 2.96Å; E334-R366 IonicContact OE1-NE 3.63Å; E334-R366 PolarHBondContact OE1-NE 2.98Å; E334-R366 IonicContact OE1-NH2 2.71Å; E334-R366 PolarHBondContact OE1-NH2 3.48Å; E334-R366 IonicContact OE2-CZ 3.89Å; E334-R366 IonicContact OE2-NE 3.71Å; E334-R366 PolarHBondContact OE2-NE 3.35Å; E334-R366 VanDerWaalsContact OE2-NE 3.09Å; E334-R366 IonicContact OE2-NH2 3.16Å; E334-R405 HydrophobicContact CB-CB 4.47Å; E334-R405 WeakPolarHBondContact OE2-CD 2.99Å; E334-V406 CarbonylContact C-O 3.55Å; E334-V406 WeakPolarHBondContact CA-O 3.22Å; E334-V407 HydrophobicContact CB-CG2 4.38Å; E334-V407 HydrophobicContact CG-CB 4.38Å; E334-V407 HydrophobicContact CG-CG1 4.14Å; E334-V407 HydrophobicContact CG-CG2 3.85Å
335	S	98.3	Very high	95.5	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.042	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-61.4	165.7	169.6	76.2	0	0	0	0	111.2	R405 V406	S335-R405 VanDerWaalsContact O-CD 3.29Å; S335-R405 WeakPolarHBondContact O-CD 3.33Å; S335-R405 VanDerWaalsContact O-CG 3.3Å; S335-R405 WeakPolarHBondContact O-CG 3.18Å; S335-R405 PolarHBondContact O-NH1 3.1Å; S335-R405 WeakPolarHBondContact OG-CA 3.39Å; S335-V406 PolarHBondContact N-O 2.95Å; S335-V406 PolarHBondContact OG-N 3.45Å
336	R	97	Very high	95.8	Very high	85 Å²	85	46.7 Å²	46.7	32%	0.321	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-61.1	168.2	160.3	69.8	172.7	-177.6	-84.7	-7.5	110.7	L268 D269 C279 V338	L268-R336 PolarHBondContact O-NH2 3.31Å; D269-R336 IonicContact OD1-CZ 3.24Å; D269-R336 IonicContact OD1-NH1 2.7Å; D269-R336 PolarHBondContact OD1-NH1 3.11Å; D269-R336 IonicContact OD1-NH2 3.44Å; D269-R336 PolarHBondContact OD1-NH2 2.93Å; D269-R336 IonicContact OD2-CZ 2.59Å; D269-R336 VanDerWaalsContact OD2-CZ 3.3Å; D269-R336 IonicContact OD2-NH1 3.52Å; D269-R336 PolarHBondContact OD2-NH1 3.31Å; D269-R336 IonicContact OD2-NH2 3.85Å; D269-R336 PolarHBondContact OD2-NH2 3.17Å; C279-R336 PolarHBondContact O-NH1 2.91Å; C279-R336 VanDerWaalsContact O-NH1 3.15Å; R336-V338 PolarHBondContact O-N 3.44Å
337	L	96.9	Very high	96.2	Very high	55 Å²	55	41.3 Å²	41.3	29%	0.288	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-63.4	126.3	171	-76.4	168.6	0	0	0	110.3	Y339 Y368 R405	L337-Y339 HydrophobicContact CB-CE2 4.32Å; L337-Y368 HydrophobicContact CD2-CD2 3.63Å; L337-Y368 HydrophobicContact CD2-CE2 3.49Å; L337-Y368 VanDerWaalsContact CD2-CE2 3.49Å; L337-Y368 HydrophobicContact CD2-CG 4.35Å; L337-R405 HydrophobicContact CD2-CG 4.1Å
338	V	96.8	Very high	96.5	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-114.5	153.7	173.6	-64.6	0	0	0	0	110.5	R336 K403 F404 L429	R336-V338 PolarHBondContact O-N 3.44Å; V338-K403 CarbonylContact O-C 3.47Å; V338-K403 WeakPolarHBondContact O-CA 3.3Å; V338-F404 HydrophobicContact CG2-CD1 3.59Å; V338-F404 HydrophobicContact CG2-CD2 4.11Å; V338-F404 HydrophobicContact CG2-CE1 3.4Å; V338-F404 HydrophobicContact CG2-CE2 3.93Å; V338-F404 HydrophobicContact CG2-CG 3.95Å; V338-F404 HydrophobicContact CG2-CZ 3.58Å; V338-F404 VanDerWaalsContact CG2-O 3.32Å; V338-F404 WeakPolarHBondContact CG2-O 3.32Å; V338-F404 PolarHBondContact N-O 3.35Å; V338-F404 PolarHBondContact O-N 2.96Å; V338-L429 HydrophobicContact CG1-CD2 4.32Å; V338-L429 HydrophobicContact CG2-CD2 4.1Å
339	Y	96.6	Very high	96.8	Very high	145 Å²	145	34.9 Å²	34.9	57%	0.569	16%	0.157	S	C	*	.			trans	-125.8	91.3	-170.3	-62	-96	0	0	0	110.1	L337 K403	L337-Y339 HydrophobicContact CB-CE2 4.32Å; Y339-K403 HydrophobicContact CD1-CB 3.74Å; Y339-K403 HydrophobicContact CE1-CB 3.88Å; Y339-K403 HydrophobicContact CE1-CD 3.96Å; Y339-K403 HydrophobicContact CG-CB 4.42Å
340	P	96.2	Very high	97	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.123	15%	0.152	C	C	.	.			trans	-73.8	156.2	-176.6	31.1	-35.3	0	0	0	112.6	K402 F404 E431	P340-K402 WeakPolarHBondContact CD-O 3.15Å; P340-K402 WeakPolarHBondContact CG-O 3.47Å; P340-F404 HydrophobicContact CB-CE1 4.2Å; P340-F404 HydrophobicContact CG-CD1 3.96Å; P340-F404 HydrophobicContact CG-CE1 3.88Å; P340-E431 VanDerWaalsContact CA-OE1 3.28Å; P340-E431 WeakPolarHBondContact CA-OE1 3.46Å
341	K	93.9	Very high	97	Very high	146 Å²	146	33 Å²	33	64%	0.635	15%	0.145	S	C	*	.	S	Bend	trans	-122.4	-26.1	-177	-60.5	175.5	-170.6	161.6	0	114.2	S265 E431	S265-K341 PolarHBondContact O-NZ 2.78Å; K341-E431 PolarHBondContact N-OE1 3.17Å; K341-E431 PolarHBondContact N-OE2 3.16Å
342	R	93.8	Very high	96.9	Very high	79 Å²	79	34 Å²	34	30%	0.298	15%	0.149	S	C	.	.	S	Bend	trans	-109.4	-19.5	-171.7	-60	-179.8	76.9	-178.9	17.6	113.9	E102 T266 Y344 E431	E102-R342 IonicContact OE1-CZ 3.35Å; E102-R342 IonicContact OE1-NH1 2.7Å; E102-R342 PolarHBondContact OE1-NH1 3.2Å; E102-R342 IonicContact OE1-NH2 3.13Å; E102-R342 PolarHBondContact OE1-NH2 3.42Å; E102-R342 IonicContact OE2-CZ 2.74Å; E102-R342 IonicContact OE2-NH1 3.87Å; E102-R342 PolarHBondContact OE2-NH1 3.47Å; E102-R342 IonicContact OE2-NH2 2.97Å; T266-R342 VanDerWaalsContact CG2-NH1 3.33Å; R342-Y344 HydrophobicContact CB-CD1 4.15Å; R342-Y344 HydrophobicContact CB-CE1 3.82Å; R342-Y344 PolarHBondContact NE-OH 2.95Å; R342-Y344 VanDerWaalsContact NE-OH 3.13Å; R342-Y344 PolarHBondContact NH1-OH 3.06Å; R342-Y344 PolarHBondContact NH2-OH 3.2Å; R342-E431 WeakPolarHBondContact CA-OE2 3.36Å; R342-E431 HydrophobicContact CB-CB 4.39Å; R342-E431 WeakPolarHBondContact CB-OE2 3.2Å; R342-E431 HydrophobicContact CG-CB 4.36Å; R342-E431 PolarHBondContact N-OE2 2.96Å; R342-E431 PolarHBondContact NH1-O 3.09Å
343	G	94.3	Very high	96.7	Very high	13 Å²	13	33.5 Å²	33.5	13%	0.134	15%	0.146	C	C	.	.	S	Bend	trans	84.6	10.6	176.6	0	0	0	0	0	115.4	D399 V400	G343-D399 CarbonylContact O-C 3.49Å; G343-D399 VanDerWaalsContact O-C 3.27Å; G343-D399 WeakPolarHBondContact O-CA 3.19Å; G343-V400 WeakPolarHBondContact CA-O 3.49Å
344	Y	97.2	Very high	96.4	Very high	84 Å²	84	34.1 Å²	34.1	33%	0.329	15%	0.15	S	C	.	.			trans	-145.5	148.3	169.5	58.8	-87.9	0	0	0	109.8	R342 L398 E431	R342-Y344 HydrophobicContact CB-CD1 4.15Å; R342-Y344 HydrophobicContact CB-CE1 3.82Å; R342-Y344 PolarHBondContact NE-OH 2.95Å; R342-Y344 VanDerWaalsContact NE-OH 3.13Å; R342-Y344 PolarHBondContact NH1-OH 3.06Å; R342-Y344 PolarHBondContact NH2-OH 3.2Å; Y344-L398 CarbonylContact C-O 3.22Å; Y344-L398 VanDerWaalsContact CA-O 3.26Å; Y344-L398 WeakPolarHBondContact CA-O 3.12Å; Y344-E431 WeakPolarHBondContact O-CA 3.32Å
345	Q	98.3	Very high	96	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158	-179	-52.8	75.1	36.2	0	0	111.3	L268 L398 V400 F404 L429 S430 E431 T432	L268-Q345 HydrophobicContact CD1-CG 3.78Å; Q345-L398 HydrophobicContact CB-CB 4.1Å; Q345-L398 HydrophobicContact CB-CD1 4.41Å; Q345-L398 PolarHBondContact N-O 3.35Å; Q345-L398 PolarHBondContact O-N 3.13Å; Q345-V400 PolarHBondContact NE2-O 3.29Å; Q345-F404 HydrophobicContact CG-CZ 4.36Å; Q345-L429 HydrophobicContact CB-CD1 3.99Å; Q345-S430 CarbonylContact C-O 3.55Å; Q345-S430 WeakPolarHBondContact CA-O 3.41Å; Q345-S430 WeakPolarHBondContact CB-O 3.18Å; Q345-E431 HydrophobicContact CG-CG 4.19Å; Q345-T432 CarbonylContact C-O 3.48Å
346	C	98.4	Very high	95.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.7	163.1	-170.7	0	0	0	0	109.4	S430 T432 C434	C346-S430 PolarHBondContact N-O 3.26Å; C346-S430 PolarHBondContact O-N 2.77Å; C346-S430 VanDerWaalsContact O-N 3.17Å; C346-T432 WeakPolarHBondContact CB-O 3.39Å; C346-T432 PolarHBondContact N-O 3.19Å; C346-T432 VanDerWaalsContact N-O 3.14Å; C346-C434 WeakPolarHBondContact CA-SG 3.42Å; C346-C434 HydrophobicContact CB-CB 4.01Å; C346-C434 WeakPolarHBondContact CB-SG 2.89Å; C346-C434 WeakPolarHBondContact SG-CA 3.31Å; C346-C434 WeakPolarHBondContact SG-CB 2.97Å; C346-C434 CovalentContact SG-SG 2.04Å; C346-C434 PolarHBondContact SG-SG 3.3Å
347	L	98.7	Very high	95	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.1	165.1	172.1	67.1	0	0	0	108.2	F349 I363 H395 V396 L398 V406 F408 I427 L429	L347-F349 HydrophobicContact CD1-CD1 4.25Å; L347-F349 HydrophobicContact CD2-CD1 4.13Å; L347-F349 HydrophobicContact CD2-CE1 3.83Å; L347-F349 HydrophobicContact CG-CD1 3.85Å; L347-F349 HydrophobicContact CG-CE1 3.96Å; L347-I363 HydrophobicContact CD2-CG2 3.89Å; L347-H395 CarbonylContact O-C 3.58Å; L347-H395 WeakPolarHBondContact O-CA 3.35Å; L347-V396 HydrophobicContact CB-CB 4.24Å; L347-V396 HydrophobicContact CD2-CB 4.34Å; L347-V396 PolarHBondContact N-O 2.71Å; L347-V396 PolarHBondContact O-N 3.17Å; L347-L398 HydrophobicContact CB-CD1 4.09Å; L347-L398 HydrophobicContact CB-CG 4.44Å; L347-V406 HydrophobicContact CD1-CG1 4.4Å; L347-V406 HydrophobicContact CD2-CG1 3.61Å; L347-F408 HydrophobicContact CD1-CZ 4.14Å; L347-F408 HydrophobicContact CD2-CE1 4.23Å; L347-F408 HydrophobicContact CD2-CZ 4.1Å; L347-I427 HydrophobicContact CD1-CG2 3.85Å; L347-L429 HydrophobicContact CB-CD1 4Å; L347-L429 HydrophobicContact CD1-CD1 4.35Å
348	Q	98.1	Very high	94.6	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148	172.2	65.1	172.6	-83	0	0	110.5	L393 H394 I427 N428 I521	Q348-L393 HydrophobicContact CB-CD1 4.47Å; Q348-H394 VanDerWaalsContact CA-O 3.22Å; Q348-H394 WeakPolarHBondContact CA-O 3.47Å; Q348-I427 CarbonylContact O-C 3.44Å; Q348-I427 WeakPolarHBondContact O-CA 3.3Å; Q348-N428 HydrophobicContact CG-CB 3.55Å; Q348-N428 WeakPolarHBondContact CG-O 3.39Å; Q348-N428 PolarHBondContact N-O 2.89Å; Q348-N428 PolarHBondContact O-N 2.88Å; Q348-I521 VanDerWaalsContact NE2-CD1 3.26Å
349	F	98.2	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	160	177.1	52.2	-85.9	0	0	0	110	L347 L361 I363 L383 H394 V396 F408 L424 I427	L347-F349 HydrophobicContact CD1-CD1 4.25Å; L347-F349 HydrophobicContact CD2-CD1 4.13Å; L347-F349 HydrophobicContact CD2-CE1 3.83Å; L347-F349 HydrophobicContact CG-CD1 3.85Å; L347-F349 HydrophobicContact CG-CE1 3.96Å; F349-L361 HydrophobicContact CE2-CD2 4.21Å; F349-I363 HydrophobicContact CE1-CD1 4.28Å; F349-I363 HydrophobicContact CZ-CD1 3.94Å; F349-I363 HydrophobicContact CZ-CG1 4.36Å; F349-L383 HydrophobicContact CE2-CD1 3.64Å; F349-L383 HydrophobicContact CZ-CD1 3.66Å; F349-H394 HydrophobicContact CD2-CB 4.45Å; F349-H394 HydrophobicContact CE1-CB 4.38Å; F349-H394 HydrophobicContact CE2-CB 3.99Å; F349-H394 HydrophobicContact CZ-CB 3.94Å; F349-H394 PolarHBondContact N-O 3.45Å; F349-H394 PolarHBondContact O-N 3.15Å; F349-V396 HydrophobicContact CE1-CG2 4.09Å; F349-V396 HydrophobicContact CZ-CG2 4.44Å; F349-F408 AromaticContact CD1-CE1 3.93Å; F349-F408 HydrophobicContact CD1-CE1 3.93Å; F349-F408 HydrophobicContact CD1-CZ 4.48Å; F349-F408 AromaticContact CE1-CE1 3.93Å; F349-F408 HydrophobicContact CE1-CE1 3.93Å; F349-F408 HydrophobicContact CG-CE1 4.27Å; F349-F408 HydrophobicContact CZ-CE1 4.25Å; F349-L424 HydrophobicContact CD2-CD2 3.58Å; F349-L424 HydrophobicContact CE2-CD2 3.83Å; F349-L424 HydrophobicContact CG-CD2 4.47Å; F349-I427 HydrophobicContact CB-CB 4.31Å; F349-I427 HydrophobicContact CB-CG1 3.86Å; F349-I427 HydrophobicContact CB-CG2 4.49Å
350	F	97.3	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.4	168.2	-75.4	-92.8	0	0	0	110.1	Y305 W391 Q392 L393 L424 D425 D426 M515 I594	Y305-F350 HydrophobicContact CD1-CB 3.97Å; Y305-F350 AromaticContact CD1-CD1 3.74Å; Y305-F350 HydrophobicContact CD1-CD1 3.74Å; Y305-F350 AromaticContact CD1-CD2 3.38Å; Y305-F350 HydrophobicContact CD1-CD2 3.38Å; Y305-F350 HydrophobicContact CD1-CE1 4.04Å; Y305-F350 AromaticContact CD1-CE2 3.71Å; Y305-F350 HydrophobicContact CD1-CE2 3.71Å; Y305-F350 AromaticContact CD1-CG 3.38Å; Y305-F350 HydrophobicContact CD1-CG 3.38Å; Y305-F350 HydrophobicContact CD1-CZ 4.03Å; Y305-F350 AromaticContact CD2-CD1 3.9Å; Y305-F350 HydrophobicContact CD2-CD1 3.9Å; Y305-F350 HydrophobicContact CD2-CE1 4.29Å; Y305-F350 HydrophobicContact CD2-CG 4.25Å; Y305-F350 AromaticContact CE1-CD1 3.58Å; Y305-F350 HydrophobicContact CE1-CD1 3.58Å; Y305-F350 AromaticContact CE1-CD2 3.36Å; Y305-F350 HydrophobicContact CE1-CD2 3.36Å; Y305-F350 AromaticContact CE1-CE1 3.37Å; Y305-F350 HydrophobicContact CE1-CE1 3.37Å; Y305-F350 AromaticContact CE1-CE2 3.14Å; Y305-F350 HydrophobicContact CE1-CE2 3.14Å; Y305-F350 AromaticContact CE1-CG 3.56Å; Y305-F350 HydrophobicContact CE1-CG 3.56Å; Y305-F350 AromaticContact CE1-CZ 3.14Å; Y305-F350 HydrophobicContact CE1-CZ 3.14Å; Y305-F350 AromaticContact CE2-CD1 3.7Å; Y305-F350 HydrophobicContact CE2-CD1 3.7Å; Y305-F350 AromaticContact CE2-CE1 3.62Å; Y305-F350 HydrophobicContact CE2-CE1 3.62Å; Y305-F350 HydrophobicContact CE2-CG 4.36Å; Y305-F350 HydrophobicContact CE2-CZ 4.22Å; Y305-F350 HydrophobicContact CG-CB 4.02Å; Y305-F350 AromaticContact CG-CD1 3.91Å; Y305-F350 HydrophobicContact CG-CD1 3.91Å; Y305-F350 HydrophobicContact CG-CD2 4.23Å; Y305-F350 HydrophobicContact CG-CE1 4.47Å; Y305-F350 AromaticContact CG-CG 3.77Å; Y305-F350 HydrophobicContact CG-CG 3.77Å; Y305-F350 AromaticContact CZ-CD1 3.53Å; Y305-F350 AromaticContact CZ-CE1 3.09Å; Y305-F350 AromaticContact CZ-CE2 3.79Å; Y305-F350 AromaticContact CZ-CZ 3.24Å; Y305-F350 WeakPolarHBondContact OH-CE1 3.33Å; Y305-F350 WeakPolarHBondContact OH-CZ 3.4Å; F350-W391 HydrophobicContact CB-CE3 3.89Å; F350-W391 HydrophobicContact CB-CZ3 4.49Å; F350-W391 HydrophobicContact CD1-CB 4.21Å; F350-Q392 CarbonylContact C-O 3.53Å; F350-Q392 VanDerWaalsContact CA-O 3.32Å; F350-Q392 WeakPolarHBondContact CA-O 3.4Å; F350-L393 HydrophobicContact CD1-CB 4.22Å; F350-L393 HydrophobicContact CD2-CD1 4.21Å; F350-L393 HydrophobicContact CE1-CB 3.69Å; F350-L393 HydrophobicContact CE1-CD1 4.37Å; F350-L393 HydrophobicContact CE2-CD1 3.75Å; F350-L393 HydrophobicContact CZ-CB 3.91Å; F350-L393 HydrophobicContact CZ-CD1 3.84Å; F350-L393 HydrophobicContact CZ-CD2 4.44Å; F350-L393 HydrophobicContact CZ-CG 4.27Å; F350-L424 WeakPolarHBondContact O-CA 3.32Å; F350-D425 PolarHBondContact N-O 3.03Å; F350-D425 PolarHBondContact O-N 3.42Å; F350-D426 HydrophobicContact CD2-CB 3.73Å; F350-D426 HydrophobicContact CE2-CB 4.42Å; F350-M515 HydrophobicContact CE2-CE 4.32Å; F350-M515 HydrophobicContact CZ-CE 4.29Å; F350-I594 HydrophobicContact CE1-CD1 3.99Å; F350-I594 HydrophobicContact CZ-CD1 4.12Å
351	Y	95.8	Very high	94.2	Very high	12 Å²	12	28.6 Å²	28.6	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.3	-176.4	172.2	-122.6	0	0	0	110	N353 L361 L383 Q392 H394 L422 S423 L424	Y351-N353 HydrophobicContact CE1-CB 3.87Å; Y351-N353 HydrophobicContact CE2-CB 4.5Å; Y351-L361 HydrophobicContact CD2-CD2 3.6Å; Y351-L361 HydrophobicContact CE2-CB 4.14Å; Y351-L361 HydrophobicContact CE2-CD2 3.58Å; Y351-L361 HydrophobicContact CE2-CG 4.49Å; Y351-L361 HydrophobicContact CG-CD2 4.24Å; Y351-L383 HydrophobicContact CD1-CD1 4.1Å; Y351-L383 HydrophobicContact CE1-CD1 4.38Å; Y351-L383 HydrophobicContact CG-CD1 4.33Å; Y351-Q392 PolarHBondContact N-O 3.39Å; Y351-Q392 PolarHBondContact O-N 2.88Å; Y351-H394 AromaticContact CD1-NE2 3.63Å; Y351-L422 HydrophobicContact CE2-CB 4.13Å; Y351-L422 HydrophobicContact CE2-CD2 4.22Å; Y351-L422 VanDerWaalsContact OH-CD2 3.28Å; Y351-L422 WeakPolarHBondContact OH-CD2 3.49Å; Y351-S423 WeakPolarHBondContact CA-O 3.3Å; Y351-S423 WeakPolarHBondContact CD2-O 3.31Å; Y351-L424 HydrophobicContact CD2-CD2 4.09Å
352	Y	95.3	Very high	94.4	Very high	21 Å²	21	24.2 Å²	24.2	8%	0.082	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.4	173.1	-167.4	-77.2	0	0	0	109.2	G300 P301 D389 L390 W391 S423	G300-Y352 VanDerWaalsContact C-CE1 3.44Å; P301-Y352 HydrophobicContact CB-CD1 4.34Å; P301-Y352 HydrophobicContact CB-CD2 3.69Å; P301-Y352 HydrophobicContact CB-CE1 4.46Å; P301-Y352 HydrophobicContact CB-CE2 3.82Å; P301-Y352 HydrophobicContact CB-CG 3.97Å; P301-Y352 HydrophobicContact CG-CD1 4.23Å; P301-Y352 HydrophobicContact CG-CD2 4.08Å; P301-Y352 HydrophobicContact CG-CG 3.87Å; Y352-D389 WeakPolarHBondContact OH-CA 3.2Å; Y352-L390 VanDerWaalsContact CD2-C 3.41Å; Y352-L390 VanDerWaalsContact CE2-N 3.34Å; Y352-W391 HydrophobicContact CD2-CD2 4.21Å; Y352-W391 HydrophobicContact CD2-CG 4.13Å; Y352-S423 PolarHBondContact N-O 3.14Å; Y352-S423 PolarHBondContact O-N 2.73Å
353	N	93.3	Very high	94.6	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.037	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	105.5	-178	-175.2	7.2	0	0	0	110.7	Y351 A355 P387 Q388 L422	Y351-N353 HydrophobicContact CE1-CB 3.87Å; Y351-N353 HydrophobicContact CE2-CB 4.5Å; N353-A355 VanDerWaalsContact OD1-CB 3.27Å; N353-A355 WeakPolarHBondContact OD1-CB 3.31Å; N353-A355 PolarHBondContact OD1-N 2.83Å; N353-P387 VanDerWaalsContact O-CA 3.3Å; N353-P387 WeakPolarHBondContact O-CA 3.07Å; N353-P387 VanDerWaalsContact O-CB 3.32Å; N353-P387 WeakPolarHBondContact O-CB 3.48Å; N353-Q388 PolarHBondContact O-N 2.99Å; N353-L422 WeakPolarHBondContact OD1-CD2 3.4Å
354	S	92.9	Very high	94.8	Very high	13 Å²	13	20.6 Å²	20.6	9%	0.091	11%	0.112	C	C	.	.			trans	-105.6	5.7	169.2	51.2	0	0	0	0	112.9	G299 G300 G420 G421	G299-S354 WeakPolarHBondContact O-CB 3.38Å; G299-S354 PolarHBondContact O-OG 3.22Å; G300-S354 PolarHBondContact O-OG 2.8Å; S354-G420 WeakPolarHBondContact O-CA 3.29Å; S354-G421 PolarHBondContact N-O 3.02Å; S354-G421 PolarHBondContact OG-N 2.87Å; S354-G421 PolarHBondContact OG-O 3.4Å
355	A	89.3	Confident	94.8	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.017	10%	0.096	C	C	.	.	S	Bend	trans	-78.9	-178.5	-174.2	0	0	0	0	0	112.8	T322 N353 D359 P387 G421 L422	T322-A355 HydrophobicContact CG2-CB 4.1Å; T322-A355 WeakPolarHBondContact OG1-CB 3.2Å; N353-A355 VanDerWaalsContact OD1-CB 3.27Å; N353-A355 WeakPolarHBondContact OD1-CB 3.31Å; N353-A355 PolarHBondContact OD1-N 2.83Å; A355-D359 HydrophobicContact CB-CB 3.72Å; A355-D359 WeakPolarHBondContact CB-OD2 3.37Å; A355-P387 WeakPolarHBondContact O-CG 3.17Å; A355-G421 PolarHBondContact N-O 2.88Å; A355-L422 HydrophobicContact CB-CD2 3.56Å; A355-L422 HydrophobicContact CB-CG 4.42Å
356	G	87.4	Confident	94.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	11%	0.107	C	C	.	.			trans	-70.3	156.8	173.4	0	0	0	0	0	111.9	S358 D359	G356-S358 PolarHBondContact O-N 3.44Å; G356-D359 PolarHBondContact N-OD2 3.13Å; G356-D359 WeakPolarHBondContact O-CB 3.48Å; G356-D359 PolarHBondContact O-N 3.33Å
357	P	86.6	Confident	94.8	Very high	114 Å²	114	21.4 Å²	21.4	74%	0.74	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.5	-178.5	27.6	-36.3	0	0	0	114.2
358	S	89	Confident	94.7	Very high	47 Å²	47	22.9 Å²	22.9	33%	0.329	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.5	175.2	56.2	0	0	0	0	114.1	G356 A414	G356-S358 PolarHBondContact O-N 3.44Å; S358-A414 PolarHBondContact OG-N 3.03Å
359	D	91.1	Very high	94.5	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.037	13%	0.129	C	C	.	.			trans	-77.8	140.3	179.9	-59	-11	0	0	0	107.9	T322 A355 G356 T411 K412 G413	T322-D359 WeakPolarHBondContact CB-OD2 3.22Å; T322-D359 HydrophobicContact CG2-CB 4.31Å; T322-D359 PolarHBondContact OG1-OD2 2.83Å; T322-D359 VanDerWaalsContact OG1-OD2 3.09Å; A355-D359 HydrophobicContact CB-CB 3.72Å; A355-D359 WeakPolarHBondContact CB-OD2 3.37Å; G356-D359 PolarHBondContact N-OD2 3.13Å; G356-D359 WeakPolarHBondContact O-CB 3.48Å; G356-D359 PolarHBondContact O-N 3.33Å; D359-T411 WeakPolarHBondContact CA-O 3.43Å; D359-K412 VanDerWaalsContact CG-NZ 3.29Å; D359-K412 IonicContact OD1-NZ 3.08Å; D359-K412 PolarHBondContact OD1-NZ 3.49Å; D359-K412 IonicContact OD2-NZ 2.7Å; D359-K412 PolarHBondContact OD2-NZ 3.07Å; D359-G413 WeakPolarHBondContact OD1-CA 3.31Å; D359-G413 PolarHBondContact OD1-N 2.86Å
360	T	93.6	Very high	94.3	Very high	38 Å²	38	33.8 Å²	33.8	23%	0.233	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.5	-169.9	61.7	0	0	0	0	112	T382 G410 T411 L422	T360-T382 HydrophobicContact CG2-CG2 4.14Å; T360-G410 CarbonylContact O-C 3.57Å; T360-G410 WeakPolarHBondContact O-CA 3.18Å; T360-T411 PolarHBondContact N-O 2.85Å; T360-T411 PolarHBondContact O-N 3.21Å; T360-L422 WeakPolarHBondContact O-CD1 3.47Å
361	L	96.2	Very high	94.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.6	165.9	176.8	60.6	0	0	0	108.5	W291 F349 Y351 I363 L383 F408 E409 L422 L424	W291-L361 HydrophobicContact CH2-CD1 4.22Å; W291-L361 HydrophobicContact CZ2-CD1 3.95Å; F349-L361 HydrophobicContact CE2-CD2 4.21Å; Y351-L361 HydrophobicContact CD2-CD2 3.6Å; Y351-L361 HydrophobicContact CE2-CB 4.14Å; Y351-L361 HydrophobicContact CE2-CD2 3.58Å; Y351-L361 HydrophobicContact CE2-CG 4.49Å; Y351-L361 HydrophobicContact CG-CD2 4.24Å; L361-I363 HydrophobicContact CG-CD1 4.32Å; L361-L383 HydrophobicContact CB-CB 4.42Å; L361-L383 HydrophobicContact CB-CD1 4.42Å; L361-L383 HydrophobicContact CD2-CD1 3.6Å; L361-L383 HydrophobicContact CD2-CG 4.46Å; L361-L383 HydrophobicContact CG-CD1 4.15Å; L361-L383 PolarHBondContact O-N 3.33Å; L361-F408 HydrophobicContact CD1-CB 4.26Å; L361-E409 WeakPolarHBondContact CA-O 3.13Å; L361-L422 HydrophobicContact CB-CD1 4.25Å; L361-L424 HydrophobicContact CD2-CD2 3.73Å
362	K	97.5	Very high	94	Very high	53 Å²	53	40.5 Å²	40.5	23%	0.23	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.6	174.8	-56.8	-174.7	-153.7	133	0	110.5	F379 T381 T382 E409	K362-F379 HydrophobicContact CB-CE2 4.26Å; K362-F379 HydrophobicContact CD-CE2 4.14Å; K362-F379 HydrophobicContact CG-CE2 4.31Å; K362-T381 WeakPolarHBondContact CA-O 3.35Å; K362-T382 HydrophobicContact CG-CG2 4.14Å; K362-E409 HydrophobicContact CB-CB 4.34Å; K362-E409 PolarHBondContact N-O 3.02Å; K362-E409 IonicContact NZ-OE1 2.69Å; K362-E409 PolarHBondContact NZ-OE1 2.74Å; K362-E409 PolarHBondContact O-N 2.52Å
363	I	98.4	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.3	173.1	-51.2	-57.1	0	0	0	108.3	L347 F349 L361 I380 T381 V396 V406 F408	L347-I363 HydrophobicContact CD2-CG2 3.89Å; F349-I363 HydrophobicContact CE1-CD1 4.28Å; F349-I363 HydrophobicContact CZ-CD1 3.94Å; F349-I363 HydrophobicContact CZ-CG1 4.36Å; L361-I363 HydrophobicContact CG-CD1 4.32Å; I363-I380 WeakPolarHBondContact O-CB 3.21Å; I363-I380 PolarHBondContact O-N 2.67Å; I363-T381 HydrophobicContact CB-CG2 4.22Å; I363-T381 HydrophobicContact CG1-CG2 4.32Å; I363-T381 PolarHBondContact N-O 3.04Å; I363-T381 PolarHBondContact O-N 3.32Å; I363-V396 HydrophobicContact CG1-CG2 4.38Å; I363-V396 HydrophobicContact CG2-CG1 4.37Å; I363-V406 HydrophobicContact CG2-CG1 4.33Å; I363-F408 HydrophobicContact CD1-CD1 3.39Å; I363-F408 HydrophobicContact CD1-CE1 3.75Å; I363-F408 HydrophobicContact CD1-CG 4.29Å
364	H	98.3	Very high	93.7	Very high	16 Å²	16	50.5 Å²	50.5	7%	0.074	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	165.1	172.2	-51.7	82.5	0	0	0	110.3	L377 R378 F379 V407 E409	H364-L377 HydrophobicContact CB-CD1 3.65Å; H364-L377 HydrophobicContact CB-CG 4.05Å; H364-R378 CarbonylContact C-O 3.56Å; H364-R378 VanDerWaalsContact CA-O 3.26Å; H364-R378 WeakPolarHBondContact CA-O 3.16Å; H364-R378 WeakPolarHBondContact CB-O 3.28Å; H364-F379 VanDerWaalsContact CD2-CA 3.41Å; H364-F379 WeakPolarHBondContact CD2-CA 3.37Å; H364-F379 AromaticContact CD2-CD2 3.91Å; H364-F379 AromaticContact NE2-CD2 3.63Å; H364-V407 HydrophobicContact CB-CB 4.03Å; H364-V407 HydrophobicContact CB-CG1 4.47Å; H364-V407 PolarHBondContact N-O 3.41Å; H364-V407 PolarHBondContact O-N 3.44Å; H364-E409 IonicContact CE1-OE1 3.26Å; H364-E409 IonicContact CE1-OE2 2.76Å; H364-E409 PolarHBondContact CE1-OE2 3.03Å
365	V	98.2	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.3	165.7	-64.1	0	0	0	0	109	E367 R378 I380 L398 V400 F404 R405	V365-E367 HydrophobicContact CG2-CG 4.18Å; V365-R378 HydrophobicContact CG2-CB 3.94Å; V365-R378 HydrophobicContact CG2-CG 4.5Å; V365-R378 PolarHBondContact N-O 3.3Å; V365-R378 PolarHBondContact O-N 3.35Å; V365-I380 HydrophobicContact CG1-CD1 4.21Å; V365-I380 HydrophobicContact CG1-CG1 3.93Å; V365-I380 HydrophobicContact CG2-CD1 3.81Å; V365-I380 HydrophobicContact CG2-CG1 4.18Å; V365-L398 HydrophobicContact CG1-CD1 4.27Å; V365-L398 HydrophobicContact CG1-CD2 4.06Å; V365-V400 HydrophobicContact CB-CG2 4.06Å; V365-V400 HydrophobicContact CG1-CG2 3.88Å; V365-V400 HydrophobicContact CG2-CG2 3.97Å; V365-F404 HydrophobicContact CB-CD2 4.19Å; V365-F404 HydrophobicContact CG1-CD2 4.08Å; V365-F404 HydrophobicContact CG1-CE2 4.22Å; V365-R405 CarbonylContact C-O 3.4Å; V365-R405 WeakPolarHBondContact CA-O 2.97Å
366	R	97.8	Very high	94.1	Very high	67 Å²	67	53.9 Å²	53.9	25%	0.253	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	103.4	173.1	-169.9	-170.7	-69.5	-105.7	4.9	108.2	E334 Y368 T376 L377 F404 R405 V407	E334-R366 IonicContact OE1-CZ 2.96Å; E334-R366 IonicContact OE1-NE 3.63Å; E334-R366 PolarHBondContact OE1-NE 2.98Å; E334-R366 IonicContact OE1-NH2 2.71Å; E334-R366 PolarHBondContact OE1-NH2 3.48Å; E334-R366 IonicContact OE2-CZ 3.89Å; E334-R366 IonicContact OE2-NE 3.71Å; E334-R366 PolarHBondContact OE2-NE 3.35Å; E334-R366 VanDerWaalsContact OE2-NE 3.09Å; E334-R366 IonicContact OE2-NH2 3.16Å; R366-Y368 HydrophobicContact CB-CE2 4.3Å; R366-Y368 WeakPolarHBondContact CD-OH 3.34Å; R366-Y368 HydrophobicContact CG-CE2 4.01Å; R366-Y368 VanDerWaalsContact O-CD2 3.3Å; R366-Y368 WeakPolarHBondContact O-CD2 3.5Å; R366-Y368 WeakPolarHBondContact O-CE2 3.44Å; R366-T376 WeakPolarHBondContact CA-O 3.31Å; R366-L377 HydrophobicContact CB-CD1 4.02Å; R366-F404 CarbonylContact O-C 3.6Å; R366-F404 WeakPolarHBondContact O-CA 2.97Å; R366-F404 WeakPolarHBondContact O-CB 3.46Å; R366-R405 HydrophobicContact CB-CB 4.44Å; R366-R405 PolarHBondContact N-O 2.89Å; R366-R405 PolarHBondContact O-N 3.17Å; R366-V407 HydrophobicContact CB-CG2 4.02Å
367	E	97.4	Very high	94.6	Very high	39 Å²	39	57.6 Å²	57.6	18%	0.182	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136	-175	-62.2	-175	-128.7	0	0	110.8	V365 G375 T376 R378 V400 F404	V365-E367 HydrophobicContact CG2-CG 4.18Å; E367-G375 CarbonylContact O-C 3.55Å; E367-G375 WeakPolarHBondContact O-CA 3.12Å; E367-T376 PolarHBondContact N-O 3.47Å; E367-T376 PolarHBondContact O-N 3.27Å; E367-R378 IonicContact OE1-CZ 2.67Å; E367-R378 IonicContact OE1-NE 2.8Å; E367-R378 PolarHBondContact OE1-NE 3.3Å; E367-R378 IonicContact OE1-NH2 2.67Å; E367-R378 PolarHBondContact OE1-NH2 2.97Å; E367-V400 HydrophobicContact CG-CG1 3.76Å; E367-F404 HydrophobicContact CG-CB 4.19Å
368	Y	97.1	Very high	95.1	Very high	32 Å²	32	55.9 Å²	55.9	13%	0.125	30%	0.303	C	S	.	.			trans	-117.6	133.1	-176.3	-58.8	-102.8	0	0	0	111	L337 R366 P373 K403 R405	L337-Y368 HydrophobicContact CD2-CD2 3.63Å; L337-Y368 HydrophobicContact CD2-CE2 3.49Å; L337-Y368 VanDerWaalsContact CD2-CE2 3.49Å; L337-Y368 HydrophobicContact CD2-CG 4.35Å; R366-Y368 HydrophobicContact CB-CE2 4.3Å; R366-Y368 WeakPolarHBondContact CD-OH 3.34Å; R366-Y368 HydrophobicContact CG-CE2 4.01Å; R366-Y368 VanDerWaalsContact O-CD2 3.3Å; R366-Y368 WeakPolarHBondContact O-CD2 3.5Å; R366-Y368 WeakPolarHBondContact O-CE2 3.44Å; Y368-P373 WeakPolarHBondContact CD1-O 3.42Å; Y368-K403 VanDerWaalsContact CB-CE 3.47Å; Y368-K403 PolarHBondContact N-O 3.03Å; Y368-R405 HydrophobicContact CE2-CG 4.05Å; Y368-R405 WeakPolarHBondContact OH-CD 3.07Å; Y368-R405 PolarHBondContact OH-NE 2.99Å
369	D	93.8	Very high	95.5	Very high	43 Å²	43	58.8 Å²	58.8	23%	0.23	31%	0.31	C	S	.	.			trans	-143.4	179.6	174.8	65.6	31.2	0	0	0	112.3	A371 N372 P373 K402	D369-A371 VanDerWaalsContact C-N 3.25Å; D369-A371 PolarHBondContact O-N 3.25Å; D369-A371 WeakPolarHBondContact OD1-CA 3.35Å; D369-A371 WeakPolarHBondContact OD1-CB 3.34Å; D369-A371 PolarHBondContact OD1-N 2.67Å; D369-N372 PolarHBondContact N-O 2.64Å; D369-N372 CarbonylContact O-C 3.51Å; D369-N372 PolarHBondContact O-N 3.2Å; D369-N372 WeakPolarHBondContact OD1-CB 2.86Å; D369-N372 PolarHBondContact OD1-N 2.8Å; D369-N372 PolarHBondContact OD1-ND2 2.97Å; D369-P373 WeakPolarHBondContact O-CA 3.25Å; D369-K402 HydrophobicContact CB-CD 3.65Å; D369-K402 IonicContact OD2-NZ 2.84Å; D369-K402 PolarHBondContact OD2-NZ 3.43Å
370	E	93.4	Very high	95.8	Very high	198 Å²	198	60.3 Å²	60.3	93%	0.925	32%	0.318	S	S	*	.	S	Bend	trans	-64.2	-30.5	-178.9	-64.7	-176.3	172.2	0	0	112.7
371	A	93.8	Very high	96	Very high	82 Å²	82	60.9 Å²	60.9	68%	0.678	32%	0.321	S	S	*	.	S	Bend	trans	-79.4	-31.6	178.4	0	0	0	0	0	112.1	D369 P373	D369-A371 VanDerWaalsContact C-N 3.25Å; D369-A371 PolarHBondContact O-N 3.25Å; D369-A371 WeakPolarHBondContact OD1-CA 3.35Å; D369-A371 WeakPolarHBondContact OD1-CB 3.34Å; D369-A371 PolarHBondContact OD1-N 2.67Å; A371-P373 VanDerWaalsContact C-CD 3.45Å; A371-P373 WeakPolarHBondContact O-CD 3.47Å
372	N	93.2	Very high	96	Very high	71 Å²	71	62.8 Å²	62.8	38%	0.38	33%	0.333	S	S	.	.			trans	-125.7	69.8	-178	-56.2	-80.1	0	0	0	109.8	D369 N374 G375 T376	D369-N372 PolarHBondContact N-O 2.64Å; D369-N372 CarbonylContact O-C 3.51Å; D369-N372 PolarHBondContact O-N 3.2Å; D369-N372 WeakPolarHBondContact OD1-CB 2.86Å; D369-N372 PolarHBondContact OD1-N 2.8Å; D369-N372 PolarHBondContact OD1-ND2 2.97Å; N372-N374 PolarHBondContact O-N 3.35Å; N372-G375 PolarHBondContact O-N 3.1Å; N372-T376 WeakPolarHBondContact CB-OG1 3.37Å
373	P	92.2	Very high	95.7	Very high	93 Å²	93	61.2 Å²	61.2	60%	0.604	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-20.6	-177.8	26.2	-35.1	0	0	0	113.2	Y368 D369 A371 G375	Y368-P373 WeakPolarHBondContact CD1-O 3.42Å; D369-P373 WeakPolarHBondContact O-CA 3.25Å; A371-P373 VanDerWaalsContact C-CD 3.45Å; A371-P373 WeakPolarHBondContact O-CD 3.47Å; P373-G375 VanDerWaalsContact C-N 3.28Å
374	N	91.2	Very high	94.5	Very high	144 Å²	144	67.2 Å²	67.2	77%	0.77	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.2	174	-65.6	-16.1	0	0	0	113.3	N372	N372-N374 PolarHBondContact O-N 3.35Å
375	G	94.6	Very high	93	Very high	19 Å²	19	69 Å²	69	20%	0.196	39%	0.387	C	S	.	.			trans	82.8	148.2	179.5	0	0	0	0	0	114	E367 N372 P373	E367-G375 CarbonylContact O-C 3.55Å; E367-G375 WeakPolarHBondContact O-CA 3.12Å; N372-G375 PolarHBondContact O-N 3.1Å; P373-G375 VanDerWaalsContact C-N 3.28Å
376	T	96.3	Very high	91.9	Very high	68 Å²	68	73.2 Å²	73.2	42%	0.417	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.1	172.7	-55.7	0	0	0	0	108.5	R366 E367 N372	R366-T376 WeakPolarHBondContact CA-O 3.31Å; E367-T376 PolarHBondContact N-O 3.47Å; E367-T376 PolarHBondContact O-N 3.27Å; N372-T376 WeakPolarHBondContact CB-OG1 3.37Å
377	L	96.5	Very high	91	Very high	78 Å²	78	72.4 Å²	72.4	41%	0.408	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130	176.8	-167	70.5	0	0	0	109.9	H364 R366 V407	H364-L377 HydrophobicContact CB-CD1 3.65Å; H364-L377 HydrophobicContact CB-CG 4.05Å; R366-L377 HydrophobicContact CB-CD1 4.02Å; L377-V407 HydrophobicContact CD1-CB 4.33Å; L377-V407 HydrophobicContact CD1-CG1 4.41Å; L377-V407 HydrophobicContact CD1-CG2 3.97Å
378	R	97.3	Very high	90.1	Very high	78 Å²	78	74.3 Å²	74.3	29%	0.294	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.6	176.2	178.9	170.4	64.2	102.9	-7.8	109.7	H364 V365 E367 D399	H364-R378 CarbonylContact C-O 3.56Å; H364-R378 VanDerWaalsContact CA-O 3.26Å; H364-R378 WeakPolarHBondContact CA-O 3.16Å; H364-R378 WeakPolarHBondContact CB-O 3.28Å; V365-R378 HydrophobicContact CG2-CB 3.94Å; V365-R378 HydrophobicContact CG2-CG 4.5Å; V365-R378 PolarHBondContact N-O 3.3Å; V365-R378 PolarHBondContact O-N 3.35Å; E367-R378 IonicContact OE1-CZ 2.67Å; E367-R378 IonicContact OE1-NE 2.8Å; E367-R378 PolarHBondContact OE1-NE 3.3Å; E367-R378 IonicContact OE1-NH2 2.67Å; E367-R378 PolarHBondContact OE1-NH2 2.97Å; R378-D399 IonicContact CZ-OD1 3.89Å; R378-D399 VanDerWaalsContact CZ-OD1 3.24Å; R378-D399 IonicContact NH1-OD1 3.61Å; R378-D399 PolarHBondContact NH1-OD1 2.7Å; R378-D399 IonicContact NH1-OD2 3.93Å; R378-D399 IonicContact NH2-OD1 3.57Å; R378-D399 PolarHBondContact NH2-OD1 3.22Å
379	F	98.2	Very high	89.6	Confident	109 Å²	109	79.5 Å²	79.5	48%	0.478	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.9	173	173.6	-101.9	0	0	0	110.8	K362 H364 T381 T382	K362-F379 HydrophobicContact CB-CE2 4.26Å; K362-F379 HydrophobicContact CD-CE2 4.14Å; K362-F379 HydrophobicContact CG-CE2 4.31Å; H364-F379 VanDerWaalsContact CD2-CA 3.41Å; H364-F379 WeakPolarHBondContact CD2-CA 3.37Å; H364-F379 AromaticContact CD2-CD2 3.91Å; H364-F379 AromaticContact NE2-CD2 3.63Å; F379-T381 VanDerWaalsContact CE2-C 3.4Å; F379-T381 WeakPolarHBondContact CE2-O 3.42Å; F379-T382 WeakPolarHBondContact CE2-OG1 3.41Å; F379-T382 WeakPolarHBondContact CZ-OG1 3.25Å
380	I	97.9	Very high	89.4	Confident	38 Å²	38	78.8 Å²	78.8	20%	0.195	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-59.9	176.2	-58.3	-59.4	0	0	0	110.2	I363 V365 V396 L398	I363-I380 WeakPolarHBondContact O-CB 3.21Å; I363-I380 PolarHBondContact O-N 2.67Å; V365-I380 HydrophobicContact CG1-CD1 4.21Å; V365-I380 HydrophobicContact CG1-CG1 3.93Å; V365-I380 HydrophobicContact CG2-CD1 3.81Å; V365-I380 HydrophobicContact CG2-CG1 4.18Å; I380-V396 HydrophobicContact CG2-CG1 3.68Å; I380-L398 HydrophobicContact CB-CD2 4.49Å; I380-L398 HydrophobicContact CD1-CD2 4.38Å; I380-L398 HydrophobicContact CG1-CD2 3.98Å; I380-L398 HydrophobicContact CG2-CD2 3.94Å
381	T	97.2	Very high	89.5	Confident	50 Å²	50	70 Å²	70	31%	0.307	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	160.4	-176.3	-167.8	0	0	0	0	112.1	K362 I363 F379 L383 V396	K362-T381 WeakPolarHBondContact CA-O 3.35Å; I363-T381 HydrophobicContact CB-CG2 4.22Å; I363-T381 HydrophobicContact CG1-CG2 4.32Å; I363-T381 PolarHBondContact N-O 3.04Å; I363-T381 PolarHBondContact O-N 3.32Å; F379-T381 VanDerWaalsContact CE2-C 3.4Å; F379-T381 WeakPolarHBondContact CE2-O 3.42Å; T381-L383 HydrophobicContact CG2-CD2 4.49Å; T381-V396 HydrophobicContact CG2-CG1 3.94Å; T381-V396 HydrophobicContact CG2-CG2 4.22Å
382	T	96.1	Very high	89.5	Confident	41 Å²	41	68.2 Å²	68.2	25%	0.252	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.2	167.3	-56.9	0	0	0	0	107.6	T360 K362 F379 T384	T360-T382 HydrophobicContact CG2-CG2 4.14Å; K362-T382 HydrophobicContact CG-CG2 4.14Å; F379-T382 WeakPolarHBondContact CE2-OG1 3.41Å; F379-T382 WeakPolarHBondContact CZ-OG1 3.25Å; T382-T384 PolarHBondContact O-N 3.27Å
383	L	90.4	Very high	89.6	Confident	20 Å²	20	65.7 Å²	65.7	11%	0.105	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	117.6	169.9	-57.6	-172.1	0	0	0	108.7	F349 Y351 L361 T381	F349-L383 HydrophobicContact CE2-CD1 3.64Å; F349-L383 HydrophobicContact CZ-CD1 3.66Å; Y351-L383 HydrophobicContact CD1-CD1 4.1Å; Y351-L383 HydrophobicContact CE1-CD1 4.38Å; Y351-L383 HydrophobicContact CG-CD1 4.33Å; L361-L383 HydrophobicContact CB-CB 4.42Å; L361-L383 HydrophobicContact CB-CD1 4.42Å; L361-L383 HydrophobicContact CD2-CD1 3.6Å; L361-L383 HydrophobicContact CD2-CG 4.46Å; L361-L383 HydrophobicContact CG-CD1 4.15Å; L361-L383 PolarHBondContact O-N 3.33Å; T381-L383 HydrophobicContact CG2-CD2 4.49Å
384	T	73.1	Confident	89.8	Confident	125 Å²	125	63 Å²	63	77%	0.767	36%	0.356	S	S	*	.			trans	-106.4	145.5	176.6	55.9	0	0	0	0	109.3	T382	T382-T384 PolarHBondContact O-N 3.27Å
385	G	67.5	Low	90	Very high	55 Å²	55	58 Å²	58	57%	0.567	33%	0.329	S	S	*	.			trans	155.7	146	178.1	0	0	0	0	0	111.7
386	S	74.5	Confident	90.1	Very high	88 Å²	88	57.5 Å²	57.5	62%	0.615	32%	0.321	S	S	*	.			trans	-63.8	147.4	172	-59.2	0	0	0	0	110.2	Q388	S386-Q388 PolarHBondContact O-N 2.88Å
387	P	79.4	Confident	90.2	Very high	49 Å²	49	58 Å²	58	32%	0.318	33%	0.328	S	S	.	.			trans	-48.6	137	168.8	-27.6	35.8	0	0	0	111	N353 A355	N353-P387 VanDerWaalsContact O-CA 3.3Å; N353-P387 WeakPolarHBondContact O-CA 3.07Å; N353-P387 VanDerWaalsContact O-CB 3.32Å; N353-P387 WeakPolarHBondContact O-CB 3.48Å; A355-P387 WeakPolarHBondContact O-CG 3.17Å
388	Q	79.1	Confident	90.3	Very high	79 Å²	79	54.6 Å²	54.6	37%	0.369	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.3	175.7	-62.3	-173.2	27.2	0	0	108.7	N353 S386 L390	N353-Q388 PolarHBondContact O-N 2.99Å; S386-Q388 PolarHBondContact O-N 2.88Å; Q388-L390 HydrophobicContact CB-CD2 4.44Å; Q388-L390 HydrophobicContact CB-CG 4.13Å; Q388-L390 PolarHBondContact O-N 3.45Å
389	D	85.8	Confident	90.3	Very high	141 Å²	141	55.4 Å²	55.4	75%	0.754	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	50.4	177.9	-59.2	-32.2	0	0	0	111.7	Y352	Y352-D389 WeakPolarHBondContact OH-CA 3.2Å
390	L	90.8	Very high	90.2	Very high	28 Å²	28	50.2 Å²	50.2	15%	0.147	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	148.7	176.9	63.4	99	0	0	0	112.3	Y352 Q388 Q392 K442	Y352-L390 VanDerWaalsContact CD2-C 3.41Å; Y352-L390 VanDerWaalsContact CE2-N 3.34Å; Q388-L390 HydrophobicContact CB-CD2 4.44Å; Q388-L390 HydrophobicContact CB-CG 4.13Å; Q388-L390 PolarHBondContact O-N 3.45Å; L390-Q392 HydrophobicContact CD1-CG 3.46Å; L390-Q392 VanDerWaalsContact CD1-CG 3.46Å; L390-Q392 HydrophobicContact CG-CG 4.5Å; L390-Q392 PolarHBondContact O-N 3.07Å; L390-K442 VanDerWaalsContact CD2-NZ 3.26Å
391	W	94.1	Very high	90.1	Very high	13 Å²	13	56.2 Å²	56.2	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.7	169.7	-73.4	106.9	0	0	0	110.9	P301 T303 Y305 F317 F350 Y352 D425 R440	P301-W391 HydrophobicContact CB-CZ2 3.97Å; P301-W391 HydrophobicContact CG-CH2 3.9Å; P301-W391 HydrophobicContact CG-CZ2 3.2Å; T303-W391 PolarHBondContact O-NE1 2.91Å; Y305-W391 HydrophobicContact CD2-CB 3.52Å; Y305-W391 AromaticContact CD2-CD1 3.84Å; Y305-W391 HydrophobicContact CD2-CD2 4.45Å; Y305-W391 AromaticContact CD2-CG 3.68Å; Y305-W391 HydrophobicContact CD2-CG 3.68Å; Y305-W391 HydrophobicContact CE2-CB 4.14Å; Y305-W391 HydrophobicContact CG-CB 4.23Å; Y305-W391 HydrophobicContact CG-CD2 4.45Å; Y305-W391 HydrophobicContact CG-CG 4.14Å; F317-W391 HydrophobicContact CB-CH2 3.93Å; F317-W391 HydrophobicContact CB-CZ2 4.29Å; F317-W391 HydrophobicContact CD1-CZ2 4.28Å; F317-W391 HydrophobicContact CD2-CH2 4.1Å; F317-W391 HydrophobicContact CD2-CZ2 4.4Å; F317-W391 AromaticContact CG-CH2 3.99Å; F317-W391 HydrophobicContact CG-CH2 3.99Å; F317-W391 HydrophobicContact CG-CZ2 4.09Å; F350-W391 HydrophobicContact CB-CE3 3.89Å; F350-W391 HydrophobicContact CB-CZ3 4.49Å; F350-W391 HydrophobicContact CD1-CB 4.21Å; Y352-W391 HydrophobicContact CD2-CD2 4.21Å; Y352-W391 HydrophobicContact CD2-CG 4.13Å; W391-D425 HydrophobicContact CH2-CB 3.67Å; W391-D425 HydrophobicContact CZ2-CB 4.31Å; W391-D425 HydrophobicContact CZ3-CB 3.8Å; W391-R440 VanDerWaalsContact O-CZ 3.23Å; W391-R440 PolarHBondContact O-NH1 2.9Å; W391-R440 PolarHBondContact O-NH2 3.23Å
392	Q	93.8	Very high	90	Very high	46 Å²	46	58.4 Å²	58.4	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134	179.2	-68.5	-177.1	53.5	0	0	111.3	F350 Y351 L390 H394	F350-Q392 CarbonylContact C-O 3.53Å; F350-Q392 VanDerWaalsContact CA-O 3.32Å; F350-Q392 WeakPolarHBondContact CA-O 3.4Å; Y351-Q392 PolarHBondContact N-O 3.39Å; Y351-Q392 PolarHBondContact O-N 2.88Å; L390-Q392 HydrophobicContact CD1-CG 3.46Å; L390-Q392 VanDerWaalsContact CD1-CG 3.46Å; L390-Q392 HydrophobicContact CG-CG 4.5Å; L390-Q392 PolarHBondContact O-N 3.07Å; Q392-H394 PolarHBondContact O-CD2 2.96Å
393	L	95.7	Very high	90.1	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.3	173.1	176.8	62.3	0	0	0	109.3	Q348 F350 M515 I594 L596	Q348-L393 HydrophobicContact CB-CD1 4.47Å; F350-L393 HydrophobicContact CD1-CB 4.22Å; F350-L393 HydrophobicContact CD2-CD1 4.21Å; F350-L393 HydrophobicContact CE1-CB 3.69Å; F350-L393 HydrophobicContact CE1-CD1 4.37Å; F350-L393 HydrophobicContact CE2-CD1 3.75Å; F350-L393 HydrophobicContact CZ-CB 3.91Å; F350-L393 HydrophobicContact CZ-CD1 3.84Å; F350-L393 HydrophobicContact CZ-CD2 4.44Å; F350-L393 HydrophobicContact CZ-CG 4.27Å; L393-M515 HydrophobicContact CD2-CE 4.16Å; L393-M515 HydrophobicContact CD2-SD 3.64Å; L393-I594 HydrophobicContact CB-CD1 4.32Å; L393-I594 HydrophobicContact CD2-CD1 4.41Å; L393-I594 HydrophobicContact CD2-CG2 4.08Å; L393-L596 HydrophobicContact CD2-CD2 3.98Å
394	H	95.5	Very high	90.4	Very high	36 Å²	36	59.8 Å²	59.8	17%	0.167	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.1	173.1	-72.9	-93.2	0	0	0	111.2	Q348 F349 Y351 Q392	Q348-H394 VanDerWaalsContact CA-O 3.22Å; Q348-H394 WeakPolarHBondContact CA-O 3.47Å; F349-H394 HydrophobicContact CD2-CB 4.45Å; F349-H394 HydrophobicContact CE1-CB 4.38Å; F349-H394 HydrophobicContact CE2-CB 3.99Å; F349-H394 HydrophobicContact CZ-CB 3.94Å; F349-H394 PolarHBondContact N-O 3.45Å; F349-H394 PolarHBondContact O-N 3.15Å; Y351-H394 AromaticContact CD1-NE2 3.63Å; Q392-H394 PolarHBondContact O-CD2 2.96Å
395	H	96.6	Very high	91.6	Very high	41 Å²	41	55.8 Å²	55.8	19%	0.19	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.7	170.4	-63.3	103	0	0	0	109.2	L347 C434	L347-H395 CarbonylContact O-C 3.58Å; L347-H395 WeakPolarHBondContact O-CA 3.35Å; H395-C434 HydrophobicContact CB-CB 4.01Å
396	V	97.4	Very high	93.1	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.4	178.1	-176.8	0	0	0	0	108.4	L347 F349 I363 I380 T381 L398	L347-V396 HydrophobicContact CB-CB 4.24Å; L347-V396 HydrophobicContact CD2-CB 4.34Å; L347-V396 PolarHBondContact N-O 2.71Å; L347-V396 PolarHBondContact O-N 3.17Å; F349-V396 HydrophobicContact CE1-CG2 4.09Å; F349-V396 HydrophobicContact CZ-CG2 4.44Å; I363-V396 HydrophobicContact CG1-CG2 4.38Å; I363-V396 HydrophobicContact CG2-CG1 4.37Å; I380-V396 HydrophobicContact CG2-CG1 3.68Å; T381-V396 HydrophobicContact CG2-CG1 3.94Å; T381-V396 HydrophobicContact CG2-CG2 4.22Å; V396-L398 HydrophobicContact CG1-CD2 3.9Å
397	S	97.4	Very high	94.2	Very high	78 Å²	78	49.2 Å²	49.2	55%	0.545	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.9	174.5	-61.2	0	0	0	0	110
398	L	98.1	Very high	95.1	Very high	7 Å²	7	47 Å²	47	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155	175.8	-48.3	176.6	0	0	0	110.1	Y344 Q345 L347 V365 I380 V396 V400 F404 V406 L429	Y344-L398 CarbonylContact C-O 3.22Å; Y344-L398 VanDerWaalsContact CA-O 3.26Å; Y344-L398 WeakPolarHBondContact CA-O 3.12Å; Q345-L398 HydrophobicContact CB-CB 4.1Å; Q345-L398 HydrophobicContact CB-CD1 4.41Å; Q345-L398 PolarHBondContact N-O 3.35Å; Q345-L398 PolarHBondContact O-N 3.13Å; L347-L398 HydrophobicContact CB-CD1 4.09Å; L347-L398 HydrophobicContact CB-CG 4.44Å; V365-L398 HydrophobicContact CG1-CD1 4.27Å; V365-L398 HydrophobicContact CG1-CD2 4.06Å; I380-L398 HydrophobicContact CB-CD2 4.49Å; I380-L398 HydrophobicContact CD1-CD2 4.38Å; I380-L398 HydrophobicContact CG1-CD2 3.98Å; I380-L398 HydrophobicContact CG2-CD2 3.94Å; V396-L398 HydrophobicContact CG1-CD2 3.9Å; L398-V400 HydrophobicContact CB-CG2 4.37Å; L398-F404 HydrophobicContact CD1-CE2 4.11Å; L398-F404 HydrophobicContact CD1-CZ 4.41Å; L398-V406 HydrophobicContact CD1-CG2 4.27Å; L398-L429 HydrophobicContact CD1-CD1 4.03Å
399	D	97.3	Very high	96	Very high	94 Å²	94	44.6 Å²	44.6	50%	0.503	22%	0.219	S	C	.	.			trans	-129.2	37.4	-176.2	64.8	-24	0	0	0	112.1	G343 R378	G343-D399 CarbonylContact O-C 3.49Å; G343-D399 VanDerWaalsContact O-C 3.27Å; G343-D399 WeakPolarHBondContact O-CA 3.19Å; R378-D399 IonicContact CZ-OD1 3.89Å; R378-D399 VanDerWaalsContact CZ-OD1 3.24Å; R378-D399 IonicContact NH1-OD1 3.61Å; R378-D399 PolarHBondContact NH1-OD1 2.7Å; R378-D399 IonicContact NH1-OD2 3.93Å; R378-D399 IonicContact NH2-OD1 3.57Å; R378-D399 PolarHBondContact NH2-OD1 3.22Å
400	V	97.3	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.			trans	-88	132	-169.9	-172.6	0	0	0	0	111.5	G343 Q345 V365 E367 L398 K402 F404	G343-V400 WeakPolarHBondContact CA-O 3.49Å; Q345-V400 PolarHBondContact NE2-O 3.29Å; V365-V400 HydrophobicContact CB-CG2 4.06Å; V365-V400 HydrophobicContact CG1-CG2 3.88Å; V365-V400 HydrophobicContact CG2-CG2 3.97Å; E367-V400 HydrophobicContact CG-CG1 3.76Å; L398-V400 HydrophobicContact CB-CG2 4.37Å; V400-K402 WeakPolarHBondContact CG1-O 3.43Å; V400-F404 HydrophobicContact CB-CD1 3.85Å; V400-F404 HydrophobicContact CB-CD2 4.41Å; V400-F404 HydrophobicContact CB-CE1 3.89Å; V400-F404 HydrophobicContact CB-CE2 4.45Å; V400-F404 HydrophobicContact CB-CG 4.13Å; V400-F404 HydrophobicContact CB-CZ 4.2Å; V400-F404 HydrophobicContact CG1-CB 3.73Å; V400-F404 HydrophobicContact CG1-CD1 3.36Å; V400-F404 HydrophobicContact CG1-CD2 4.2Å; V400-F404 HydrophobicContact CG1-CE1 3.93Å; V400-F404 HydrophobicContact CG1-CG 3.52Å; V400-F404 HydrophobicContact CG2-CD1 4.47Å; V400-F404 HydrophobicContact CG2-CD2 4.15Å; V400-F404 HydrophobicContact CG2-CE1 4.5Å; V400-F404 HydrophobicContact CG2-CE2 4.19Å; V400-F404 HydrophobicContact CG2-CG 4.3Å; V400-F404 HydrophobicContact CG2-CZ 4.36Å
401	K	95.6	Very high	96.7	Very high	165 Å²	165	37.6 Å²	37.6	72%	0.717	18%	0.183	S	C	*	.			trans	-109.6	-18	-175.7	-63.5	179	-177.7	178.1	0	114.5
402	K	95.1	Very high	96.6	Very high	96 Å²	96	37.5 Å²	37.5	42%	0.417	18%	0.182	S	C	.	.	S	Bend	trans	-110.8	169.9	-177.6	-57	-172.6	-170.8	168	0	109.7	P340 D369 V400 F404	P340-K402 WeakPolarHBondContact CD-O 3.15Å; P340-K402 WeakPolarHBondContact CG-O 3.47Å; D369-K402 HydrophobicContact CB-CD 3.65Å; D369-K402 IonicContact OD2-NZ 2.84Å; D369-K402 PolarHBondContact OD2-NZ 3.43Å; V400-K402 WeakPolarHBondContact CG1-O 3.43Å; K402-F404 WeakPolarHBondContact O-CD1 3.43Å; K402-F404 PolarHBondContact O-N 2.76Å
403	K	96.9	Very high	96.4	Very high	89 Å²	89	36.2 Å²	36.2	39%	0.387	18%	0.181	S	C	.	.	S	Bend	trans	-59	136.4	173.9	75.9	-174.5	179.9	-178.3	0	109.7	V338 Y339 Y368	V338-K403 CarbonylContact O-C 3.47Å; V338-K403 WeakPolarHBondContact O-CA 3.3Å; Y339-K403 HydrophobicContact CD1-CB 3.74Å; Y339-K403 HydrophobicContact CE1-CB 3.88Å; Y339-K403 HydrophobicContact CE1-CD 3.96Å; Y339-K403 HydrophobicContact CG-CB 4.42Å; Y368-K403 VanDerWaalsContact CB-CE 3.47Å; Y368-K403 PolarHBondContact N-O 3.03Å
404	F	98.2	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	171.5	-172.9	73.6	-77.9	0	0	0	112.8	V338 P340 Q345 V365 R366 E367 L398 V400 K402 V406 L429	V338-F404 HydrophobicContact CG2-CD1 3.59Å; V338-F404 HydrophobicContact CG2-CD2 4.11Å; V338-F404 HydrophobicContact CG2-CE1 3.4Å; V338-F404 HydrophobicContact CG2-CE2 3.93Å; V338-F404 HydrophobicContact CG2-CG 3.95Å; V338-F404 HydrophobicContact CG2-CZ 3.58Å; V338-F404 VanDerWaalsContact CG2-O 3.32Å; V338-F404 WeakPolarHBondContact CG2-O 3.32Å; V338-F404 PolarHBondContact N-O 3.35Å; V338-F404 PolarHBondContact O-N 2.96Å; P340-F404 HydrophobicContact CB-CE1 4.2Å; P340-F404 HydrophobicContact CG-CD1 3.96Å; P340-F404 HydrophobicContact CG-CE1 3.88Å; Q345-F404 HydrophobicContact CG-CZ 4.36Å; V365-F404 HydrophobicContact CB-CD2 4.19Å; V365-F404 HydrophobicContact CG1-CD2 4.08Å; V365-F404 HydrophobicContact CG1-CE2 4.22Å; R366-F404 CarbonylContact O-C 3.6Å; R366-F404 WeakPolarHBondContact O-CA 2.97Å; R366-F404 WeakPolarHBondContact O-CB 3.46Å; E367-F404 HydrophobicContact CG-CB 4.19Å; L398-F404 HydrophobicContact CD1-CE2 4.11Å; L398-F404 HydrophobicContact CD1-CZ 4.41Å; V400-F404 HydrophobicContact CB-CD1 3.85Å; V400-F404 HydrophobicContact CB-CD2 4.41Å; V400-F404 HydrophobicContact CB-CE1 3.89Å; V400-F404 HydrophobicContact CB-CE2 4.45Å; V400-F404 HydrophobicContact CB-CG 4.13Å; V400-F404 HydrophobicContact CB-CZ 4.2Å; V400-F404 HydrophobicContact CG1-CB 3.73Å; V400-F404 HydrophobicContact CG1-CD1 3.36Å; V400-F404 HydrophobicContact CG1-CD2 4.2Å; V400-F404 HydrophobicContact CG1-CE1 3.93Å; V400-F404 HydrophobicContact CG1-CG 3.52Å; V400-F404 HydrophobicContact CG2-CD1 4.47Å; V400-F404 HydrophobicContact CG2-CD2 4.15Å; V400-F404 HydrophobicContact CG2-CE1 4.5Å; V400-F404 HydrophobicContact CG2-CE2 4.19Å; V400-F404 HydrophobicContact CG2-CG 4.3Å; V400-F404 HydrophobicContact CG2-CZ 4.36Å; K402-F404 WeakPolarHBondContact O-CD1 3.43Å; K402-F404 PolarHBondContact O-N 2.76Å; F404-V406 HydrophobicContact CD2-CG2 4.42Å; F404-V406 HydrophobicContact CE2-CG2 3.74Å; F404-L429 HydrophobicContact CZ-CD2 4.12Å
405	R	98.3	Very high	95.4	Very high	41 Å²	41	41.5 Å²	41.5	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.4	162.6	-64.2	178.5	-178.9	-116	13	109.3	I282 E334 S335 L337 V365 R366 Y368	I282-R405 VanDerWaalsContact CG1-NH1 3.3Å; E334-R405 HydrophobicContact CB-CB 4.47Å; E334-R405 WeakPolarHBondContact OE2-CD 2.99Å; S335-R405 VanDerWaalsContact O-CD 3.29Å; S335-R405 WeakPolarHBondContact O-CD 3.33Å; S335-R405 VanDerWaalsContact O-CG 3.3Å; S335-R405 WeakPolarHBondContact O-CG 3.18Å; S335-R405 PolarHBondContact O-NH1 3.1Å; S335-R405 WeakPolarHBondContact OG-CA 3.39Å; L337-R405 HydrophobicContact CD2-CG 4.1Å; V365-R405 CarbonylContact C-O 3.4Å; V365-R405 WeakPolarHBondContact CA-O 2.97Å; R366-R405 HydrophobicContact CB-CB 4.44Å; R366-R405 PolarHBondContact N-O 2.89Å; R366-R405 PolarHBondContact O-N 3.17Å; Y368-R405 HydrophobicContact CE2-CG 4.05Å; Y368-R405 WeakPolarHBondContact OH-CD 3.07Å; Y368-R405 PolarHBondContact OH-NE 2.99Å
406	V	98.6	Very high	94.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.1	161.5	-179.9	0	0	0	0	107.4	E334 S335 L347 I363 L398 F404 F408 L429	E334-V406 CarbonylContact C-O 3.55Å; E334-V406 WeakPolarHBondContact CA-O 3.22Å; S335-V406 PolarHBondContact N-O 2.95Å; S335-V406 PolarHBondContact OG-N 3.45Å; L347-V406 HydrophobicContact CD1-CG1 4.4Å; L347-V406 HydrophobicContact CD2-CG1 3.61Å; I363-V406 HydrophobicContact CG2-CG1 4.33Å; L398-V406 HydrophobicContact CD1-CG2 4.27Å; F404-V406 HydrophobicContact CD2-CG2 4.42Å; F404-V406 HydrophobicContact CE2-CG2 3.74Å; V406-F408 HydrophobicContact CB-CE2 4.24Å; V406-F408 HydrophobicContact CG1-CD2 4.14Å; V406-F408 HydrophobicContact CG1-CE1 4.44Å; V406-F408 HydrophobicContact CG1-CE2 3.52Å; V406-F408 HydrophobicContact CG1-CZ 3.7Å; V406-L429 HydrophobicContact CG2-CD2 4.1Å
407	V	98.4	Very high	94.3	Very high	3 Å²	3	44 Å²	44	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117	-176.8	178.6	0	0	0	0	108.7	V332 E334 H364 R366 L377	V332-V407 HydrophobicContact CG1-CG1 3.58Å; E334-V407 HydrophobicContact CB-CG2 4.38Å; E334-V407 HydrophobicContact CG-CB 4.38Å; E334-V407 HydrophobicContact CG-CG1 4.14Å; E334-V407 HydrophobicContact CG-CG2 3.85Å; H364-V407 HydrophobicContact CB-CB 4.03Å; H364-V407 HydrophobicContact CB-CG1 4.47Å; H364-V407 PolarHBondContact N-O 3.41Å; H364-V407 PolarHBondContact O-N 3.44Å; R366-V407 HydrophobicContact CB-CG2 4.02Å; L377-V407 HydrophobicContact CD1-CB 4.33Å; L377-V407 HydrophobicContact CD1-CG1 4.41Å; L377-V407 HydrophobicContact CD1-CG2 3.97Å
408	F	98.4	Very high	93.8	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.4	175.3	-59.4	-94.3	0	0	0	108.4	M281 V332 L333 L347 F349 L361 I363 V406 L424 I427	M281-F408 HydrophobicContact CE-CD2 3.97Å; M281-F408 HydrophobicContact CE-CE2 3.76Å; V332-F408 WeakPolarHBondContact CA-O 3.49Å; L333-F408 HydrophobicContact CB-CB 4.36Å; L333-F408 PolarHBondContact N-O 3.06Å; L333-F408 PolarHBondContact O-N 3.25Å; L347-F408 HydrophobicContact CD1-CZ 4.14Å; L347-F408 HydrophobicContact CD2-CE1 4.23Å; L347-F408 HydrophobicContact CD2-CZ 4.1Å; F349-F408 AromaticContact CD1-CE1 3.93Å; F349-F408 HydrophobicContact CD1-CE1 3.93Å; F349-F408 HydrophobicContact CD1-CZ 4.48Å; F349-F408 AromaticContact CE1-CE1 3.93Å; F349-F408 HydrophobicContact CE1-CE1 3.93Å; F349-F408 HydrophobicContact CG-CE1 4.27Å; F349-F408 HydrophobicContact CZ-CE1 4.25Å; L361-F408 HydrophobicContact CD1-CB 4.26Å; I363-F408 HydrophobicContact CD1-CD1 3.39Å; I363-F408 HydrophobicContact CD1-CE1 3.75Å; I363-F408 HydrophobicContact CD1-CG 4.29Å; V406-F408 HydrophobicContact CB-CE2 4.24Å; V406-F408 HydrophobicContact CG1-CD2 4.14Å; V406-F408 HydrophobicContact CG1-CE1 4.44Å; V406-F408 HydrophobicContact CG1-CE2 3.52Å; V406-F408 HydrophobicContact CG1-CZ 3.7Å; F408-L424 HydrophobicContact CB-CD1 3.85Å; F408-L424 HydrophobicContact CD1-CD1 3.62Å; F408-L424 HydrophobicContact CD1-CD2 4.35Å; F408-L424 HydrophobicContact CE1-CD1 4.3Å; F408-L424 HydrophobicContact CG-CD1 3.78Å; F408-I427 HydrophobicContact CE1-CD1 4.37Å; F408-I427 HydrophobicContact CE2-CD1 3.93Å; F408-I427 HydrophobicContact CZ-CD1 3.77Å; F408-I427 HydrophobicContact CZ-CG2 4.02Å
409	E	97.6	Very high	93.3	Very high	30 Å²	30	46.1 Å²	46.1	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.2	179.9	178.4	-171.3	111	0	0	109.3	T330 A331 V332 L361 K362 H364	T330-E409 HydrophobicContact CG2-CG 4.41Å; A331-E409 WeakPolarHBondContact O-CA 3.36Å; V332-E409 HydrophobicContact CG2-CB 4.39Å; V332-E409 HydrophobicContact CG2-CG 4.2Å; L361-E409 WeakPolarHBondContact CA-O 3.13Å; K362-E409 HydrophobicContact CB-CB 4.34Å; K362-E409 PolarHBondContact N-O 3.02Å; K362-E409 IonicContact NZ-OE1 2.69Å; K362-E409 PolarHBondContact NZ-OE1 2.74Å; K362-E409 PolarHBondContact O-N 2.52Å; H364-E409 IonicContact CE1-OE1 3.26Å; H364-E409 IonicContact CE1-OE2 2.76Å; H364-E409 PolarHBondContact CE1-OE2 3.03Å
410	G	95.9	Very high	93	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136	166.4	0	0	0	0	0	109.8	T330 A331 T360	T330-G410 CarbonylContact C-O 3.54Å; T330-G410 WeakPolarHBondContact CA-O 3.43Å; A331-G410 PolarHBondContact N-O 2.92Å; A331-G410 PolarHBondContact O-N 3.21Å; T360-G410 CarbonylContact O-C 3.57Å; T360-G410 WeakPolarHBondContact O-CA 3.18Å
411	T	94.5	Very high	92.8	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.135	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.7	175.9	-53.5	0	0	0	0	110.4	T330 D359 T360 G413	T330-T411 HydrophobicContact CG2-CG2 4.1Å; D359-T411 WeakPolarHBondContact CA-O 3.43Å; T360-T411 PolarHBondContact N-O 2.85Å; T360-T411 PolarHBondContact O-N 3.21Å; T411-G413 PolarHBondContact O-N 3.29Å
412	K	93.2	Very high	92.8	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.043	22%	0.219	C	C	.	.			trans	-73.6	118	167.4	-177.3	72	-173.8	112.2	0	110.1	T322 A325 N326 G328 D329 D359 A414	T322-K412 HydrophobicContact CG2-CD 4.34Å; T322-K412 WeakPolarHBondContact O-CD 3.45Å; T322-K412 VanDerWaalsContact O-CE 3.23Å; T322-K412 WeakPolarHBondContact O-CE 3.43Å; A325-K412 HydrophobicContact CB-CB 4.26Å; A325-K412 HydrophobicContact CB-CG 4.46Å; N326-K412 VanDerWaalsContact O-CB 3.31Å; N326-K412 WeakPolarHBondContact O-CB 3.49Å; N326-K412 VanDerWaalsContact O-CG 3.3Å; N326-K412 WeakPolarHBondContact O-CG 3.47Å; G328-K412 WeakPolarHBondContact CA-O 3.38Å; G328-K412 PolarHBondContact N-O 2.7Å; D329-K412 PolarHBondContact O-N 3.25Å; D359-K412 VanDerWaalsContact CG-NZ 3.29Å; D359-K412 IonicContact OD1-NZ 3.08Å; D359-K412 PolarHBondContact OD1-NZ 3.49Å; D359-K412 IonicContact OD2-NZ 2.7Å; D359-K412 PolarHBondContact OD2-NZ 3.07Å; K412-A414 WeakPolarHBondContact CE-O 3.38Å; K412-A414 PolarHBondContact NZ-O 3.04Å
413	G	89.5	Confident	92.9	Very high	19 Å²	19	29.3 Å²	29.3	20%	0.196	20%	0.199	C	C	.	.			trans	-82.5	-129.3	171	0	0	0	0	0	111.4	T327 D359 T411	T327-G413 WeakPolarHBondContact CA-O 3.44Å; T327-G413 WeakPolarHBondContact CB-O 3.16Å; T327-G413 WeakPolarHBondContact CG2-O 3.44Å; T327-G413 PolarHBondContact OG1-O 3.41Å; D359-G413 WeakPolarHBondContact OD1-CA 3.31Å; D359-G413 PolarHBondContact OD1-N 2.86Å; T411-G413 PolarHBondContact O-N 3.29Å
414	A	87.8	Confident	93	Very high	51 Å²	51	25 Å²	25	42%	0.421	18%	0.181	S	C	.	.	S	Bend	trans	-76.4	-177.2	176.3	0	0	0	0	0	112.6	S358 K412 G416	S358-A414 PolarHBondContact OG-N 3.03Å; K412-A414 WeakPolarHBondContact CE-O 3.38Å; K412-A414 PolarHBondContact NZ-O 3.04Å; A414-G416 PolarHBondContact O-N 3.03Å
415	S	82.6	Confident	93	Very high	113 Å²	113	25 Å²	25	79%	0.79	18%	0.181	S	C	*	.	S	Bend	trans	-52.9	133.1	175.5	56.4	0	0	0	0	112
416	G	83.7	Confident	92.9	Very high	34 Å²	34	23.1 Å²	23.1	35%	0.351	17%	0.174	S	C	.	.			trans	-136.8	-171.1	177.8	0	0	0	0	0	111.6	A414	A414-G416 PolarHBondContact O-N 3.03Å
417	P	86	Confident	93	Very high	67 Å²	67	23.6 Å²	23.6	44%	0.435	18%	0.176	S	C	.	.			trans	-58.9	138.7	176.6	-21.7	33.3	0	0	0	112.1	G323 A419 G420	G323-P417 WeakPolarHBondContact CA-O 3.25Å; P417-A419 PolarHBondContact O-N 3.26Å; P417-G420 PolarHBondContact O-N 3.04Å
418	A	86.4	Confident	93	Very high	90 Å²	90	23.4 Å²	23.4	74%	0.744	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.4	-179.9	0	0	0	0	0	113.5	G323	G323-A418 WeakPolarHBondContact CA-O 3.18Å
419	A	88.8	Confident	93	Very high	41 Å²	41	23.6 Å²	23.6	34%	0.339	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	5.7	175.4	0	0	0	0	0	113	D298 G299 P417	D298-A419 HydrophobicContact CB-CB 3.98Å; G299-A419 WeakPolarHBondContact CA-O 3.33Å; G299-A419 PolarHBondContact N-O 3.4Å; G299-A419 VanDerWaalsContact N-O 3.08Å; P417-A419 PolarHBondContact O-N 3.26Å
420	G	89.5	Confident	93	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	17%	0.169	C	C	.	.			trans	-76.6	156	-174.3	0	0	0	0	0	113.6	T322 G323 S354 P417	T322-G420 PolarHBondContact N-O 3.37Å; T322-G420 PolarHBondContact OG1-O 2.92Å; G323-G420 PolarHBondContact N-O 2.75Å; S354-G420 WeakPolarHBondContact O-CA 3.29Å; P417-G420 PolarHBondContact O-N 3.04Å
421	G	93.9	Very high	93.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-177.8	173.5	0	0	0	0	0	114.2	F320 S354 A355	F320-G421 CarbonylContact O-C 3.47Å; F320-G421 WeakPolarHBondContact O-CA 3.44Å; S354-G421 PolarHBondContact N-O 3.02Å; S354-G421 PolarHBondContact OG-N 2.87Å; S354-G421 PolarHBondContact OG-O 3.4Å; A355-G421 PolarHBondContact N-O 2.88Å
422	L	95.6	Very high	93.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.5	-179.5	-53.9	-171.8	0	0	0	108.5	W291 H319 F320 T322 Y351 N353 A355 T360 L361	W291-L422 HydrophobicContact CH2-CB 3.93Å; W291-L422 HydrophobicContact CZ3-CB 4.42Å; W291-L422 VanDerWaalsContact CZ3-O 3.27Å; W291-L422 WeakPolarHBondContact CZ3-O 3.4Å; H319-L422 CarbonylContact C-O 3.41Å; H319-L422 WeakPolarHBondContact CA-O 3.35Å; F320-L422 HydrophobicContact CB-CB 4.42Å; F320-L422 HydrophobicContact CD1-CB 4.48Å; F320-L422 HydrophobicContact CD1-CD1 4.06Å; F320-L422 HydrophobicContact CD1-CG 4.22Å; F320-L422 PolarHBondContact N-O 3.33Å; F320-L422 PolarHBondContact O-N 3.4Å; T322-L422 HydrophobicContact CG2-CG 4.13Å; Y351-L422 HydrophobicContact CE2-CB 4.13Å; Y351-L422 HydrophobicContact CE2-CD2 4.22Å; Y351-L422 VanDerWaalsContact OH-CD2 3.28Å; Y351-L422 WeakPolarHBondContact OH-CD2 3.49Å; N353-L422 WeakPolarHBondContact OD1-CD2 3.4Å; A355-L422 HydrophobicContact CB-CD2 3.56Å; A355-L422 HydrophobicContact CB-CG 4.42Å; T360-L422 WeakPolarHBondContact O-CD1 3.47Å; L361-L422 HydrophobicContact CB-CD1 4.25Å
423	S	97.4	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142	-178.9	-41.6	0	0	0	0	112.4	P301 M318 H319 Y351 Y352	P301-S423 VanDerWaalsContact CD-OG 3.24Å; P301-S423 WeakPolarHBondContact CD-OG 3.41Å; M318-S423 CarbonylContact O-C 3.5Å; M318-S423 WeakPolarHBondContact O-CA 3.3Å; H319-S423 PolarHBondContact ND1-OG 3.25Å; Y351-S423 WeakPolarHBondContact CA-O 3.3Å; Y351-S423 WeakPolarHBondContact CD2-O 3.31Å; Y352-S423 PolarHBondContact N-O 3.14Å; Y352-S423 PolarHBondContact O-N 2.73Å
424	L	97.9	Very high	93.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.8	-179	-66.7	173.4	0	0	0	110.6	F273 W291 F317 M318 F349 F350 Y351 L361 F408	F273-L424 WeakPolarHBondContact CE2-O 3.49Å; W291-L424 HydrophobicContact CE3-CD1 4.31Å; W291-L424 HydrophobicContact CH2-CD1 3.51Å; W291-L424 HydrophobicContact CH2-CG 3.7Å; W291-L424 HydrophobicContact CZ2-CD1 3.97Å; W291-L424 HydrophobicContact CZ3-CB 4.29Å; W291-L424 HydrophobicContact CZ3-CD1 3.7Å; W291-L424 HydrophobicContact CZ3-CG 3.69Å; F317-L424 WeakPolarHBondContact CB-O 3.1Å; M318-L424 PolarHBondContact N-O 2.91Å; M318-L424 PolarHBondContact O-N 3.18Å; F349-L424 HydrophobicContact CD2-CD2 3.58Å; F349-L424 HydrophobicContact CE2-CD2 3.83Å; F349-L424 HydrophobicContact CG-CD2 4.47Å; F350-L424 WeakPolarHBondContact O-CA 3.32Å; Y351-L424 HydrophobicContact CD2-CD2 4.09Å; L361-L424 HydrophobicContact CD2-CD2 3.73Å; F408-L424 HydrophobicContact CB-CD1 3.85Å; F408-L424 HydrophobicContact CD1-CD1 3.62Å; F408-L424 HydrophobicContact CD1-CD2 4.35Å; F408-L424 HydrophobicContact CE1-CD1 4.3Å; F408-L424 HydrophobicContact CG-CD1 3.78Å
425	D	98.3	Very high	93.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	166	175	-158.9	8.8	0	0	0	111.6	Y305 S306 F317 F350 W391 I427	Y305-D425 WeakPolarHBondContact CA-OD2 3.42Å; Y305-D425 PolarHBondContact N-OD2 2.9Å; S306-D425 PolarHBondContact N-OD2 2.7Å; S306-D425 PolarHBondContact OG-OD1 2.87Å; S306-D425 VanDerWaalsContact OG-OD1 3.14Å; S306-D425 PolarHBondContact OG-OD2 2.69Å; F317-D425 HydrophobicContact CB-CB 4Å; F350-D425 PolarHBondContact N-O 3.03Å; F350-D425 PolarHBondContact O-N 3.42Å; W391-D425 HydrophobicContact CH2-CB 3.67Å; W391-D425 HydrophobicContact CZ2-CB 4.31Å; W391-D425 HydrophobicContact CZ3-CB 3.8Å; D425-I427 VanDerWaalsContact C-N 3.32Å; D425-I427 PolarHBondContact O-N 3.02Å
426	D	98.1	Very high	94	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.6	45.9	173.8	-85.8	-13.4	0	0	0	114.1	Y305 S306 F350 N428 P519 K589	Y305-D426 HydrophobicContact CD1-CB 4.24Å; Y305-D426 WeakPolarHBondContact CD1-OD2 3.4Å; S306-D426 PolarHBondContact OG-OD1 3.24Å; F350-D426 HydrophobicContact CD2-CB 3.73Å; F350-D426 HydrophobicContact CE2-CB 4.42Å; D426-N428 PolarHBondContact O-N 2.78Å; D426-N428 PolarHBondContact O-ND2 3.45Å; D426-P519 WeakPolarHBondContact OD1-CA 3.36Å; D426-P519 WeakPolarHBondContact OD1-CB 3.1Å; D426-K589 IonicContact OD2-NZ 2.7Å; D426-K589 PolarHBondContact OD2-NZ 2.81Å
427	I	98.8	Very high	94.6	Very high	13 Å²	13	21.9 Å²	21.9	7%	0.067	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.8	-179.8	-53.5	-177.2	0	0	0	109.3	S270 C271 F273 M281 L347 Q348 F349 F408 D425	S270-I427 CarbonylContact C-O 3.58Å; S270-I427 VanDerWaalsContact CA-O 3.29Å; S270-I427 WeakPolarHBondContact CA-O 3.29Å; C271-I427 HydrophobicContact CB-CB 4.44Å; C271-I427 PolarHBondContact N-O 2.97Å; C271-I427 PolarHBondContact O-N 3.25Å; F273-I427 HydrophobicContact CE2-CD1 4.05Å; F273-I427 HydrophobicContact CE2-CG1 4.17Å; F273-I427 HydrophobicContact CZ-CD1 3.57Å; F273-I427 HydrophobicContact CZ-CG1 4.16Å; M281-I427 HydrophobicContact CE-CD1 4.21Å; M281-I427 HydrophobicContact SD-CD1 4.22Å; L347-I427 HydrophobicContact CD1-CG2 3.85Å; Q348-I427 CarbonylContact O-C 3.44Å; Q348-I427 WeakPolarHBondContact O-CA 3.3Å; F349-I427 HydrophobicContact CB-CB 4.31Å; F349-I427 HydrophobicContact CB-CG1 3.86Å; F349-I427 HydrophobicContact CB-CG2 4.49Å; F408-I427 HydrophobicContact CE1-CD1 4.37Å; F408-I427 HydrophobicContact CE2-CD1 3.93Å; F408-I427 HydrophobicContact CZ-CD1 3.77Å; F408-I427 HydrophobicContact CZ-CG2 4.02Å; D425-I427 VanDerWaalsContact C-N 3.32Å; D425-I427 PolarHBondContact O-N 3.02Å
428	N	98.8	Very high	95.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140	172.8	-63.6	-98.4	0	0	0	110.7	S270 Q348 D426 P519 I521	S270-N428 VanDerWaalsContact CB-OD1 3.31Å; S270-N428 WeakPolarHBondContact CB-OD1 3.38Å; S270-N428 PolarHBondContact OG-OD1 3.47Å; Q348-N428 HydrophobicContact CG-CB 3.55Å; Q348-N428 WeakPolarHBondContact CG-O 3.39Å; Q348-N428 PolarHBondContact N-O 2.89Å; Q348-N428 PolarHBondContact O-N 2.88Å; D426-N428 PolarHBondContact O-N 2.78Å; D426-N428 PolarHBondContact O-ND2 3.45Å; N428-P519 PolarHBondContact ND2-O 2.96Å; N428-P519 PolarHBondContact OD1-O 3.2Å; N428-I521 HydrophobicContact CB-CB 4Å; N428-I521 HydrophobicContact CB-CG2 4.16Å; N428-I521 WeakPolarHBondContact OD1-CB 3.48Å; N428-I521 PolarHBondContact OD1-N 3.39Å
429	L	98.7	Very high	95.6	Very high	5 Å²	5	18 Å²	18	3%	0.026	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124	179.3	-177	66.6	0	0	0	109.7	L268 D269 V338 Q345 L347 L398 F404 V406	L268-L429 HydrophobicContact CB-CB 4.29Å; L268-L429 HydrophobicContact CB-CD2 3.98Å; L268-L429 HydrophobicContact CB-CG 3.93Å; L268-L429 WeakPolarHBondContact CB-O 3.5Å; L268-L429 HydrophobicContact CD1-CD2 3.9Å; L268-L429 HydrophobicContact CD1-CG 3.85Å; L268-L429 HydrophobicContact CG-CG 4.5Å; L268-L429 PolarHBondContact N-O 3.13Å; D269-L429 HydrophobicContact CB-CB 4.27Å; D269-L429 PolarHBondContact N-O 3.27Å; D269-L429 PolarHBondContact O-N 2.86Å; V338-L429 HydrophobicContact CG1-CD2 4.32Å; V338-L429 HydrophobicContact CG2-CD2 4.1Å; Q345-L429 HydrophobicContact CB-CD1 3.99Å; L347-L429 HydrophobicContact CB-CD1 4Å; L347-L429 HydrophobicContact CD1-CD1 4.35Å; L398-L429 HydrophobicContact CD1-CD1 4.03Å; F404-L429 HydrophobicContact CZ-CD2 4.12Å; V406-L429 HydrophobicContact CG2-CD2 4.1Å
430	S	98.4	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.1	178.8	54	0	0	0	0	111.8	T266 Q345 C346 T432	T266-S430 CarbonylContact O-C 3.55Å; T266-S430 VanDerWaalsContact O-CA 3.31Å; T266-S430 WeakPolarHBondContact O-CA 3.5Å; Q345-S430 CarbonylContact C-O 3.55Å; Q345-S430 WeakPolarHBondContact CA-O 3.41Å; Q345-S430 WeakPolarHBondContact CB-O 3.18Å; C346-S430 PolarHBondContact N-O 3.26Å; C346-S430 PolarHBondContact O-N 2.77Å; C346-S430 VanDerWaalsContact O-N 3.17Å; S430-T432 PolarHBondContact O-N 3.39Å; S430-T432 PolarHBondContact OG-OG1 3.39Å
431	E	98	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-83.3	57.3	174.4	-54.4	-159.1	-131.4	0	0	111.5	T266 L268 P340 K341 R342 Y344 Q345	T266-E431 HydrophobicContact CG2-CB 4.18Å; T266-E431 PolarHBondContact O-N 3.07Å; L268-E431 HydrophobicContact CD1-CG 3.64Å; L268-E431 HydrophobicContact CD2-CG 4.11Å; L268-E431 HydrophobicContact CG-CG 3.8Å; P340-E431 VanDerWaalsContact CA-OE1 3.28Å; P340-E431 WeakPolarHBondContact CA-OE1 3.46Å; K341-E431 PolarHBondContact N-OE1 3.17Å; K341-E431 PolarHBondContact N-OE2 3.16Å; R342-E431 WeakPolarHBondContact CA-OE2 3.36Å; R342-E431 HydrophobicContact CB-CB 4.39Å; R342-E431 WeakPolarHBondContact CB-OE2 3.2Å; R342-E431 HydrophobicContact CG-CB 4.36Å; R342-E431 PolarHBondContact N-OE2 2.96Å; R342-E431 PolarHBondContact NH1-O 3.09Å; Y344-E431 WeakPolarHBondContact O-CA 3.32Å; Q345-E431 HydrophobicContact CG-CG 4.19Å
432	T	96.1	Very high	96.4	Very high	22 Å²	22	25.3 Å²	25.3	14%	0.135	13%	0.129	C	C	.	.	S	Bend	trans	-127.5	163.3	-178.1	58.6	0	0	0	0	109.9	Q345 C346 S430	Q345-T432 CarbonylContact C-O 3.48Å; C346-T432 WeakPolarHBondContact CB-O 3.39Å; C346-T432 PolarHBondContact N-O 3.19Å; C346-T432 VanDerWaalsContact N-O 3.14Å; S430-T432 PolarHBondContact O-N 3.39Å; S430-T432 PolarHBondContact OG-OG1 3.39Å
433	T	94.1	Very high	96.3	Very high	89 Å²	89	29.4 Å²	29.4	55%	0.546	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-72.4	140.5	169.9	-51.2	0	0	0	0	109.6
434	C	93.8	Very high	96.2	Very high	13 Å²	13	29.4 Å²	29.4	9%	0.088	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-72.6	144	172.5	-74	0	0	0	0	111.8	C346 H395	C346-C434 WeakPolarHBondContact CA-SG 3.42Å; C346-C434 HydrophobicContact CB-CB 4.01Å; C346-C434 WeakPolarHBondContact CB-SG 2.89Å; C346-C434 WeakPolarHBondContact SG-CA 3.31Å; C346-C434 WeakPolarHBondContact SG-CB 2.97Å; C346-C434 CovalentContact SG-SG 2.04Å; C346-C434 PolarHBondContact SG-SG 3.3Å; H395-C434 HydrophobicContact CB-CB 4.01Å
435	P	91.3	Very high	95.9	Very high	32 Å²	32	31.3 Å²	31.3	21%	0.208	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-53.3	142.6	162.4	-21	31.3	0	0	0	110.8	L596 T598	P435-L596 HydrophobicContact CB-CB 4.09Å; P435-L596 HydrophobicContact CB-CD2 4.38Å; P435-L596 HydrophobicContact CG-CB 4.28Å; P435-L596 HydrophobicContact CG-CD1 3.98Å; P435-L596 HydrophobicContact CG-CD2 4.41Å; P435-L596 HydrophobicContact CG-CG 4.46Å; P435-T598 HydrophobicContact CB-CG2 4.38Å
436	E	91.2	Very high	95.7	Very high	56 Å²	56	36.3 Å²	36.3	26%	0.262	19%	0.187	S	C	.	.	S	Bend	trans	-84.8	-38.6	-174.1	-164.7	179.3	-176.5	0	0	111.4	S464 K465 L597	E436-S464 WeakPolarHBondContact OE1-CA 3.32Å; E436-K465 PolarHBondContact OE1-N 2.83Å; E436-L597 PolarHBondContact N-O 3.02Å
437	F	96	Very high	95.5	Very high	31 Å²	31	37.5 Å²	37.5	14%	0.136	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.4	-176.7	-47.8	-71.1	0	0	0	111.7	F462 T463 F470 L597	F437-F462 HydrophobicContact CB-CB 4.31Å; F437-F462 HydrophobicContact CB-CD1 3.63Å; F437-F462 HydrophobicContact CB-CD2 4.14Å; F437-F462 HydrophobicContact CB-CE1 3.89Å; F437-F462 HydrophobicContact CB-CE2 4.36Å; F437-F462 HydrophobicContact CB-CG 3.77Å; F437-F462 HydrophobicContact CB-CZ 4.24Å; F437-F462 HydrophobicContact CD1-CB 3.75Å; F437-F462 AromaticContact CD1-CD1 3.44Å; F437-F462 HydrophobicContact CD1-CD1 3.44Å; F437-F462 VanDerWaalsContact CD1-CD1 3.44Å; F437-F462 HydrophobicContact CD1-CE1 4.29Å; F437-F462 AromaticContact CD1-CG 3.83Å; F437-F462 HydrophobicContact CD1-CG 3.83Å; F437-F462 HydrophobicContact CD2-CB 3.68Å; F437-F462 HydrophobicContact CD2-CD1 4.5Å; F437-F462 HydrophobicContact CD2-CG 4.09Å; F437-F462 HydrophobicContact CE1-CB 3.94Å; F437-F462 HydrophobicContact CE1-CD1 4.25Å; F437-F462 HydrophobicContact CE1-CG 4.48Å; F437-F462 HydrophobicContact CE2-CB 3.88Å; F437-F462 HydrophobicContact CG-CB 3.61Å; F437-F462 AromaticContact CG-CD1 3.59Å; F437-F462 HydrophobicContact CG-CD1 3.59Å; F437-F462 HydrophobicContact CG-CD2 4.36Å; F437-F462 HydrophobicContact CG-CE1 4.34Å; F437-F462 AromaticContact CG-CG 3.6Å; F437-F462 HydrophobicContact CG-CG 3.6Å; F437-F462 HydrophobicContact CZ-CB 4Å; F437-T463 VanDerWaalsContact CZ-O 3.25Å; F437-T463 WeakPolarHBondContact CZ-O 3.4Å; F437-F470 AromaticContact CD2-CE1 3.74Å; F437-F470 HydrophobicContact CD2-CE1 3.74Å; F437-F470 AromaticContact CD2-CZ 3.98Å; F437-F470 HydrophobicContact CD2-CZ 3.98Å; F437-F470 AromaticContact CE2-CE1 3.69Å; F437-F470 HydrophobicContact CE2-CE1 3.69Å; F437-F470 HydrophobicContact CE2-CZ 4.36Å; F437-L597 HydrophobicContact CB-CB 4.24Å; F437-L597 PolarHBondContact N-O 2.86Å; F437-L597 PolarHBondContact O-N 2.81Å
438	V	96.1	Very high	95.3	Very high	54 Å²	54	37 Å²	37	33%	0.327	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.5	177.4	-177	0	0	0	0	107.9	I594 F595 L596	V438-I594 HydrophobicContact CG1-CG2 3.67Å; V438-F595 WeakPolarHBondContact CA-O 3.24Å; V438-L596 HydrophobicContact CG1-CD2 4.4Å; V438-L596 HydrophobicContact CG2-CD2 3.96Å
439	W	97.4	Very high	94.8	Very high	20 Å²	20	42.1 Å²	42.1	8%	0.076	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.8	170.9	173.1	37.9	0	0	0	109.6	V441 I457 S459 F462 M472 I474 F595 L597	W439-V441 HydrophobicContact CD2-CG2 4.03Å; W439-V441 VanDerWaalsContact CE2-CG2 3.44Å; W439-V441 HydrophobicContact CH2-CG2 4.22Å; W439-V441 HydrophobicContact CZ2-CG2 3.56Å; W439-I457 HydrophobicContact CH2-CD1 4.32Å; W439-I457 HydrophobicContact CH2-CG1 4.05Å; W439-I457 HydrophobicContact CZ2-CD1 4.08Å; W439-I457 HydrophobicContact CZ2-CG1 4.08Å; W439-S459 VanDerWaalsContact CE2-CA 3.45Å; W439-F462 HydrophobicContact CB-CE2 4.24Å; W439-F462 HydrophobicContact CB-CZ 4.16Å; W439-M472 HydrophobicContact CE3-CB 4.31Å; W439-M472 HydrophobicContact CE3-CG 4.36Å; W439-M472 HydrophobicContact CE3-SD 3.9Å; W439-M472 HydrophobicContact CZ3-CB 4.11Å; W439-M472 HydrophobicContact CZ3-CE 4.49Å; W439-M472 HydrophobicContact CZ3-CG 3.88Å; W439-M472 HydrophobicContact CZ3-SD 3.76Å; W439-I474 HydrophobicContact CH2-CB 4.32Å; W439-I474 HydrophobicContact CH2-CG2 3.6Å; W439-I474 HydrophobicContact CZ3-CB 4.46Å; W439-I474 HydrophobicContact CZ3-CG2 4.15Å; W439-F595 HydrophobicContact CB-CB 4.25Å; W439-F595 HydrophobicContact CD2-CD2 4.16Å; W439-F595 HydrophobicContact CE3-CB 4Å; W439-F595 AromaticContact CE3-CD2 3.72Å; W439-F595 HydrophobicContact CE3-CD2 3.72Å; W439-F595 HydrophobicContact CE3-CE2 4.43Å; W439-F595 AromaticContact CE3-CG 3.91Å; W439-F595 HydrophobicContact CE3-CG 3.91Å; W439-F595 HydrophobicContact CZ3-CD2 4.2Å; W439-F595 HydrophobicContact CZ3-CG 4.45Å; W439-F595 PolarHBondContact N-O 3.09Å; W439-F595 PolarHBondContact O-N 3.39Å; W439-L597 HydrophobicContact CB-CD1 4.25Å
440	R	96.4	Very high	94.5	Very high	56 Å²	56	45.6 Å²	45.6	21%	0.211	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129	173.3	178.7	177.6	-71.9	-154.5	10.5	110.3	W391 D592 A593	W391-R440 VanDerWaalsContact O-CZ 3.23Å; W391-R440 PolarHBondContact O-NH1 2.9Å; W391-R440 PolarHBondContact O-NH2 3.23Å; R440-D592 WeakPolarHBondContact CD-OD2 3.44Å; R440-D592 HydrophobicContact CG-CB 4.26Å; R440-D592 IonicContact CZ-OD2 2.72Å; R440-D592 IonicContact NE-OD2 3.08Å; R440-D592 IonicContact NH1-OD2 3.6Å; R440-D592 PolarHBondContact NH1-OD2 3.24Å; R440-D592 VanDerWaalsContact NH1-OD2 3.16Å; R440-A593 WeakPolarHBondContact CA-O 3.38Å
441	V	96.9	Very high	94.4	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.085	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.2	168.1	-171.3	0	0	0	0	108.3	W439 F444 V447 I457 D592 A593 F595	W439-V441 HydrophobicContact CD2-CG2 4.03Å; W439-V441 VanDerWaalsContact CE2-CG2 3.44Å; W439-V441 HydrophobicContact CH2-CG2 4.22Å; W439-V441 HydrophobicContact CZ2-CG2 3.56Å; V441-F444 HydrophobicContact CB-CD2 3.85Å; V441-F444 HydrophobicContact CG1-CD2 3.61Å; V441-F444 HydrophobicContact CG1-CE2 4.34Å; V441-V447 HydrophobicContact CG1-CG2 4.3Å; V441-I457 HydrophobicContact CG1-CD1 3.86Å; V441-I457 HydrophobicContact CG2-CD1 4.16Å; V441-D592 WeakPolarHBondContact O-CA 3.36Å; V441-A593 PolarHBondContact N-O 3.12Å; V441-A593 PolarHBondContact O-N 2.78Å; V441-F595 HydrophobicContact CG2-CD2 4.11Å; V441-F595 HydrophobicContact CG2-CE2 3.83Å
442	K	94.6	Very high	94.2	Very high	126 Å²	126	50.8 Å²	50.8	55%	0.548	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	143.9	-178.6	-66	-172.6	179.1	-173.6	0	111.4	L390 F444 D592	L390-K442 VanDerWaalsContact CD2-NZ 3.26Å; K442-F444 PolarHBondContact O-N 3.39Å; K442-D592 WeakPolarHBondContact CA-OD1 3.49Å
443	N	93.9	Very high	94	Very high	86 Å²	86	52.9 Å²	52.9	46%	0.46	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.5	178.4	-164.9	11.7	0	0	0	112.9	S445 H446 V447 G591 D592	N443-S445 PolarHBondContact O-N 3.08Å; N443-H446 HydrophobicContact CB-CB 4.49Å; N443-H446 VanDerWaalsContact CG-CB 3.47Å; N443-H446 VanDerWaalsContact ND2-CB 3.33Å; N443-H446 WeakPolarHBondContact ND2-CB 3.3Å; N443-H446 WeakPolarHBondContact O-CB 3.47Å; N443-H446 PolarHBondContact O-N 3.36Å; N443-H446 WeakPolarHBondContact OD1-CB 3.37Å; N443-V447 PolarHBondContact O-N 2.9Å; N443-V447 VanDerWaalsContact O-N 3.11Å; N443-G591 CarbonylContact C-O 3.59Å; N443-G591 WeakPolarHBondContact CA-O 3.45Å; N443-G591 PolarHBondContact N-O 3.03Å; N443-D592 PolarHBondContact N-OD1 2.88Å
444	F	95.8	Very high	93.9	Very high	1 Å²	1	52 Å²	52	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-29.9	-173.1	-169.7	-117.5	0	0	0	113.2	V441 K442 H446 V447 M448 I474 P476 L486 I588 G591 A593 F595	V441-F444 HydrophobicContact CB-CD2 3.85Å; V441-F444 HydrophobicContact CG1-CD2 3.61Å; V441-F444 HydrophobicContact CG1-CE2 4.34Å; K442-F444 PolarHBondContact O-N 3.39Å; F444-H446 VanDerWaalsContact C-N 3.34Å; F444-H446 PolarHBondContact O-N 2.73Å; F444-V447 HydrophobicContact CD2-CB 4.22Å; F444-V447 HydrophobicContact CD2-CG1 4.34Å; F444-V447 HydrophobicContact CE2-CG1 4.49Å; F444-V447 WeakPolarHBondContact O-CB 3.25Å; F444-V447 PolarHBondContact O-N 3.37Å; F444-M448 HydrophobicContact CD1-CE 4.27Å; F444-M448 HydrophobicContact CD1-CG 4.07Å; F444-M448 HydrophobicContact CD1-SD 3.98Å; F444-M448 HydrophobicContact CE1-CE 4.42Å; F444-M448 HydrophobicContact CE1-CG 3.73Å; F444-M448 HydrophobicContact CE1-SD 3.56Å; F444-M448 VanDerWaalsContact CE1-SD 3.56Å; F444-M448 HydrophobicContact CE2-CG 4.35Å; F444-M448 HydrophobicContact CZ-CG 3.89Å; F444-M448 HydrophobicContact CZ-SD 4.22Å; F444-M448 WeakPolarHBondContact O-CG 3.44Å; F444-M448 PolarHBondContact O-N 2.61Å; F444-I474 HydrophobicContact CE2-CD1 4.42Å; F444-I474 HydrophobicContact CZ-CD1 3.94Å; F444-P476 HydrophobicContact CE2-CB 4.48Å; F444-L486 HydrophobicContact CE1-CD1 4.1Å; F444-L486 HydrophobicContact CE1-CD2 4.35Å; F444-L486 HydrophobicContact CZ-CD1 4.24Å; F444-L486 HydrophobicContact CZ-CD2 4.01Å; F444-I588 HydrophobicContact CD1-CD1 3.86Å; F444-I588 HydrophobicContact CD1-CG1 4.07Å; F444-G591 PolarHBondContact N-O 3.27Å; F444-A593 HydrophobicContact CB-CB 3.61Å; F444-A593 HydrophobicContact CD1-CB 3.47Å; F444-A593 VanDerWaalsContact CD1-CB 3.47Å; F444-A593 HydrophobicContact CD2-CB 4.28Å; F444-A593 HydrophobicContact CE1-CB 4.18Å; F444-A593 HydrophobicContact CG-CB 3.52Å; F444-F595 HydrophobicContact CZ-CZ 4.15Å
445	S	91.4	Very high	93.9	Very high	39 Å²	39	54.3 Å²	54.3	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-57.3	-47.9	171.6	-72.2	0	0	0	0	111.7	N443 V447 M448 D449	N443-S445 PolarHBondContact O-N 3.08Å; S445-V447 VanDerWaalsContact C-N 3.33Å; S445-V447 PolarHBondContact O-N 3.26Å; S445-M448 PolarHBondContact O-N 2.77Å; S445-D449 VanDerWaalsContact O-CG 3.26Å; S445-D449 PolarHBondContact O-N 2.9Å
446	H	93.1	Very high	94.1	Very high	105 Å²	105	54.2 Å²	54.2	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-38	176.2	-175.4	71.5	0	0	0	111.9	N443 F444 D449 T450	N443-H446 HydrophobicContact CB-CB 4.49Å; N443-H446 VanDerWaalsContact CG-CB 3.47Å; N443-H446 VanDerWaalsContact ND2-CB 3.33Å; N443-H446 WeakPolarHBondContact ND2-CB 3.3Å; N443-H446 WeakPolarHBondContact O-CB 3.47Å; N443-H446 PolarHBondContact O-N 3.36Å; N443-H446 WeakPolarHBondContact OD1-CB 3.37Å; F444-H446 VanDerWaalsContact C-N 3.34Å; F444-H446 PolarHBondContact O-N 2.73Å; H446-D449 PolarHBondContact O-N 3.24Å; H446-T450 WeakPolarHBondContact CE1-CG2 3.4Å; H446-T450 WeakPolarHBondContact O-CB 3.35Å; H446-T450 WeakPolarHBondContact O-CG2 3.14Å; H446-T450 PolarHBondContact O-N 2.86Å; H446-T450 PolarHBondContact O-OG1 2.98Å
447	V	95.3	Very high	94.4	Very high	26 Å²	26	53.7 Å²	53.7	16%	0.158	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-46.8	176.6	175.4	0	0	0	0	111	V441 N443 F444 S445 D449 T450 T451 I457 P476	V441-V447 HydrophobicContact CG1-CG2 4.3Å; N443-V447 PolarHBondContact O-N 2.9Å; N443-V447 VanDerWaalsContact O-N 3.11Å; F444-V447 HydrophobicContact CD2-CB 4.22Å; F444-V447 HydrophobicContact CD2-CG1 4.34Å; F444-V447 HydrophobicContact CE2-CG1 4.49Å; F444-V447 WeakPolarHBondContact O-CB 3.25Å; F444-V447 PolarHBondContact O-N 3.37Å; S445-V447 VanDerWaalsContact C-N 3.33Å; S445-V447 PolarHBondContact O-N 3.26Å; V447-D449 VanDerWaalsContact C-N 3.32Å; V447-D449 PolarHBondContact O-N 3.05Å; V447-T450 PolarHBondContact O-N 2.95Å; V447-T451 WeakPolarHBondContact O-CB 3.39Å; V447-T451 PolarHBondContact O-N 3.11Å; V447-T451 PolarHBondContact O-OG1 2.97Å; V447-I457 HydrophobicContact CG1-CD1 4.12Å; V447-P476 HydrophobicContact CG1-CB 3.89Å; V447-P476 HydrophobicContact CG1-CG 3.67Å
448	M	93.1	Very high	94.4	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-35.7	175.8	-69.8	-171.3	-56.3	0	0	112.7	F444 S445 P476 S477 L486 A582 K583 I588	F444-M448 HydrophobicContact CD1-CE 4.27Å; F444-M448 HydrophobicContact CD1-CG 4.07Å; F444-M448 HydrophobicContact CD1-SD 3.98Å; F444-M448 HydrophobicContact CE1-CE 4.42Å; F444-M448 HydrophobicContact CE1-CG 3.73Å; F444-M448 HydrophobicContact CE1-SD 3.56Å; F444-M448 VanDerWaalsContact CE1-SD 3.56Å; F444-M448 HydrophobicContact CE2-CG 4.35Å; F444-M448 HydrophobicContact CZ-CG 3.89Å; F444-M448 HydrophobicContact CZ-SD 4.22Å; F444-M448 WeakPolarHBondContact O-CG 3.44Å; F444-M448 PolarHBondContact O-N 2.61Å; S445-M448 PolarHBondContact O-N 2.77Å; M448-P476 HydrophobicContact CG-CB 4.25Å; M448-S477 PolarHBondContact O-OG 3.13Å; M448-L486 HydrophobicContact CG-CD2 4.12Å; M448-L486 HydrophobicContact SD-CD2 3.89Å; M448-A582 HydrophobicContact SD-CB 4.26Å; M448-K583 HydrophobicContact CE-CD 4.45Å; M448-K583 HydrophobicContact CE-CG 3.92Å; M448-I588 HydrophobicContact CE-CD1 3.25Å; M448-I588 HydrophobicContact SD-CD1 4.37Å
449	D	89.5	Confident	94.4	Very high	106 Å²	106	52.9 Å²	52.9	57%	0.567	28%	0.284	S	S	*	.	H	α-helix	trans	-82.5	-21.2	-176.6	-67	-19.3	0	0	0	113.1	S445 H446 V447 K583	S445-D449 VanDerWaalsContact O-CG 3.26Å; S445-D449 PolarHBondContact O-N 2.9Å; H446-D449 PolarHBondContact O-N 3.24Å; V447-D449 VanDerWaalsContact C-N 3.32Å; V447-D449 PolarHBondContact O-N 3.05Å; D449-K583 IonicContact OD1-NZ 3.58Å; D449-K583 PolarHBondContact OD1-NZ 3.46Å; D449-K583 IonicContact OD2-NZ 2.65Å
450	T	93.2	Very high	94.3	Very high	79 Å²	79	55.2 Å²	55.2	49%	0.485	30%	0.302	S	S	.	.	H	α-helix	trans	-113.8	-20.3	-173.1	58.4	0	0	0	0	115.3	H446 V447	H446-T450 WeakPolarHBondContact CE1-CG2 3.4Å; H446-T450 WeakPolarHBondContact O-CB 3.35Å; H446-T450 WeakPolarHBondContact O-CG2 3.14Å; H446-T450 PolarHBondContact O-N 2.86Å; H446-T450 PolarHBondContact O-OG1 2.98Å; V447-T450 PolarHBondContact O-N 2.95Å
451	T	94.3	Very high	94.2	Very high	24 Å²	24	53.9 Å²	53.9	15%	0.147	30%	0.3	C	S	.	.	S	Bend	trans	-73.4	128.1	177.9	-61.9	0	0	0	0	108.7	V447 T455 P476 S477	V447-T451 WeakPolarHBondContact O-CB 3.39Å; V447-T451 PolarHBondContact O-N 3.11Å; V447-T451 PolarHBondContact O-OG1 2.97Å; T451-T455 HydrophobicContact CG2-CG2 3.83Å; T451-T455 WeakPolarHBondContact CG2-O 3.46Å; T451-P476 HydrophobicContact CG2-CG 4.11Å; T451-S477 VanDerWaalsContact O-CB 3.23Å; T451-S477 WeakPolarHBondContact O-CB 3.26Å; T451-S477 PolarHBondContact O-OG 3.08Å
452	P	93.9	Very high	94.2	Very high	85 Å²	85	54.6 Å²	54.6	55%	0.552	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-64	155.3	177.2	-21.6	33.5	0	0	0	112.1	T455	P452-T455 VanDerWaalsContact O-CB 3.22Å; P452-T455 WeakPolarHBondContact O-CB 3.47Å; P452-T455 PolarHBondContact O-N 3.18Å; P452-T455 VanDerWaalsContact O-N 3.12Å; P452-T455 PolarHBondContact O-OG1 2.79Å
453	T	92.4	Very high	94.2	Very high	65 Å²	65	51.5 Å²	51.5	40%	0.399	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	146.7	168.1	-52.5	0	0	0	0	110.4	T455 G478	T453-T455 PolarHBondContact O-N 2.87Å; T453-T455 VanDerWaalsContact O-N 3.09Å; T453-G478 WeakPolarHBondContact CG2-O 3.22Å
454	D	92.4	Very high	94.2	Very high	70 Å²	70	47.7 Å²	47.7	37%	0.374	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	10.6	-173.8	-62.8	-62.1	0	0	0	115.6	G478 K479 E480	D454-G478 PolarHBondContact N-O 2.89Å; D454-K479 WeakPolarHBondContact OD1-CA 3.43Å; D454-K479 WeakPolarHBondContact OD1-CB 3.36Å; D454-E480 VanDerWaalsContact CG-N 3.26Å; D454-E480 PolarHBondContact OD1-N 2.76Å; D454-E480 WeakPolarHBondContact OD2-CA 3.41Å; D454-E480 VanDerWaalsContact OD2-CB 3.29Å; D454-E480 WeakPolarHBondContact OD2-CB 2.93Å; D454-E480 PolarHBondContact OD2-N 3.25Å
455	T	94.8	Very high	94	Very high	62 Å²	62	55.9 Å²	55.9	38%	0.38	31%	0.31	S	S	.	.			trans	-99.7	122.8	170.6	-54.1	0	0	0	0	109.6	T451 P452 T453 P476	T451-T455 HydrophobicContact CG2-CG2 3.83Å; T451-T455 WeakPolarHBondContact CG2-O 3.46Å; P452-T455 VanDerWaalsContact O-CB 3.22Å; P452-T455 WeakPolarHBondContact O-CB 3.47Å; P452-T455 PolarHBondContact O-N 3.18Å; P452-T455 VanDerWaalsContact O-N 3.12Å; P452-T455 PolarHBondContact O-OG1 2.79Å; T453-T455 PolarHBondContact O-N 2.87Å; T453-T455 VanDerWaalsContact O-N 3.09Å; T455-P476 WeakPolarHBondContact O-CD 3.45Å
456	S	94.8	Very high	94	Very high	31 Å²	31	57.7 Å²	57.7	22%	0.217	31%	0.314	C	S	.	.			trans	-106.5	154.2	-179.5	65.3	0	0	0	0	112.9	F458 Q473 I474	S456-F458 WeakPolarHBondContact OG-CE2 3.38Å; S456-Q473 VanDerWaalsContact CB-NE2 3.27Å; S456-Q473 PolarHBondContact OG-NE2 3.35Å; S456-I474 CarbonylContact C-O 3.49Å; S456-I474 WeakPolarHBondContact CA-O 3.24Å; S456-I474 WeakPolarHBondContact CB-O 3.41Å
457	I	96.2	Very high	94	Very high	45 Å²	45	53.9 Å²	53.9	23%	0.231	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	156.3	163.4	66.5	178.2	0	0	0	109.6	W439 V441 V447 I474 P476	W439-I457 HydrophobicContact CH2-CD1 4.32Å; W439-I457 HydrophobicContact CH2-CG1 4.05Å; W439-I457 HydrophobicContact CZ2-CD1 4.08Å; W439-I457 HydrophobicContact CZ2-CG1 4.08Å; V441-I457 HydrophobicContact CG1-CD1 3.86Å; V441-I457 HydrophobicContact CG2-CD1 4.16Å; V447-I457 HydrophobicContact CG1-CD1 4.12Å; I457-I474 HydrophobicContact CD1-CG2 3.73Å; I457-I474 HydrophobicContact CG1-CG2 3.24Å; I457-I474 PolarHBondContact N-O 3.49Å; I457-I474 PolarHBondContact O-N 2.76Å; I457-P476 HydrophobicContact CD1-CG 4.18Å; I457-P476 HydrophobicContact CG1-CG 4.2Å
458	F	96.2	Very high	94	Very high	65 Å²	65	53.2 Å²	53.2	29%	0.285	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.6	-178.5	-63.6	-91.1	0	0	0	110.3	S456 Q471 Q473	S456-F458 WeakPolarHBondContact OG-CE2 3.38Å; F458-Q471 HydrophobicContact CB-CG 4.21Å; F458-Q471 HydrophobicContact CD1-CG 4.41Å; F458-Q473 HydrophobicContact CD1-CB 3.72Å; F458-Q473 HydrophobicContact CD1-CG 3.91Å; F458-Q473 HydrophobicContact CE1-CB 3.5Å; F458-Q473 HydrophobicContact CE1-CG 3.38Å; F458-Q473 HydrophobicContact CE2-CG 4.47Å; F458-Q473 HydrophobicContact CZ-CB 4.33Å; F458-Q473 HydrophobicContact CZ-CG 3.69Å; F458-Q473 VanDerWaalsContact CZ-NE2 3.29Å
459	S	97	Very high	94.2	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64.4	164.1	164.5	58.4	0	0	0	0	111.6	W439 Q471 M472	W439-S459 VanDerWaalsContact CE2-CA 3.45Å; S459-Q471 VanDerWaalsContact O-CD 3.3Å; S459-Q471 WeakPolarHBondContact O-CG 3.46Å; S459-Q471 PolarHBondContact O-NE2 2.03Å; S459-Q471 WeakPolarHBondContact OG-CG 3.47Å; S459-M472 PolarHBondContact N-O 2.8Å; S459-M472 PolarHBondContact OG-N 3.24Å; S459-M472 PolarHBondContact OG-O 3.45Å
460	P	95.1	Very high	94.6	Very high	69 Å²	69	48.2 Å²	48.2	45%	0.448	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-58.8	153.3	162.5	-22.5	34.5	0	0	0	111.5	F462	P460-F462 HydrophobicContact CB-CE1 4.42Å; P460-F462 HydrophobicContact CB-CZ 4.22Å; P460-F462 HydrophobicContact CG-CZ 4.31Å; P460-F462 WeakPolarHBondContact O-CD2 3.45Å; P460-F462 WeakPolarHBondContact O-CE2 3.42Å; P460-F462 PolarHBondContact O-N 2.92Å
461	P	95.1	Very high	94.7	Very high	28 Å²	28	44.6 Å²	44.6	18%	0.182	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-69.1	126.3	172.1	27.3	-32.6	0	0	0	111	T469 V493	P461-T469 HydrophobicContact CB-CG2 3.71Å; P461-V493 HydrophobicContact CB-CG1 4.31Å
462	F	95.8	Very high	94.9	Very high	30 Å²	30	43.4 Å²	43.4	13%	0.132	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.2	-179	-62.9	-67.6	0	0	0	111.5	F437 W439 P460 T469 F470 L597	F437-F462 HydrophobicContact CB-CB 4.31Å; F437-F462 HydrophobicContact CB-CD1 3.63Å; F437-F462 HydrophobicContact CB-CD2 4.14Å; F437-F462 HydrophobicContact CB-CE1 3.89Å; F437-F462 HydrophobicContact CB-CE2 4.36Å; F437-F462 HydrophobicContact CB-CG 3.77Å; F437-F462 HydrophobicContact CB-CZ 4.24Å; F437-F462 HydrophobicContact CD1-CB 3.75Å; F437-F462 AromaticContact CD1-CD1 3.44Å; F437-F462 HydrophobicContact CD1-CD1 3.44Å; F437-F462 VanDerWaalsContact CD1-CD1 3.44Å; F437-F462 HydrophobicContact CD1-CE1 4.29Å; F437-F462 AromaticContact CD1-CG 3.83Å; F437-F462 HydrophobicContact CD1-CG 3.83Å; F437-F462 HydrophobicContact CD2-CB 3.68Å; F437-F462 HydrophobicContact CD2-CD1 4.5Å; F437-F462 HydrophobicContact CD2-CG 4.09Å; F437-F462 HydrophobicContact CE1-CB 3.94Å; F437-F462 HydrophobicContact CE1-CD1 4.25Å; F437-F462 HydrophobicContact CE1-CG 4.48Å; F437-F462 HydrophobicContact CE2-CB 3.88Å; F437-F462 HydrophobicContact CG-CB 3.61Å; F437-F462 AromaticContact CG-CD1 3.59Å; F437-F462 HydrophobicContact CG-CD1 3.59Å; F437-F462 HydrophobicContact CG-CD2 4.36Å; F437-F462 HydrophobicContact CG-CE1 4.34Å; F437-F462 AromaticContact CG-CG 3.6Å; F437-F462 HydrophobicContact CG-CG 3.6Å; F437-F462 HydrophobicContact CZ-CB 4Å; W439-F462 HydrophobicContact CB-CE2 4.24Å; W439-F462 HydrophobicContact CB-CZ 4.16Å; P460-F462 HydrophobicContact CB-CE1 4.42Å; P460-F462 HydrophobicContact CB-CZ 4.22Å; P460-F462 HydrophobicContact CG-CZ 4.31Å; P460-F462 WeakPolarHBondContact O-CD2 3.45Å; P460-F462 WeakPolarHBondContact O-CE2 3.42Å; P460-F462 PolarHBondContact O-N 2.92Å; F462-T469 CarbonylContact O-C 3.53Å; F462-T469 WeakPolarHBondContact O-CA 3.36Å; F462-T469 WeakPolarHBondContact O-CG2 3.39Å; F462-F470 HydrophobicContact CB-CD1 4.27Å; F462-F470 HydrophobicContact CB-CE1 3.96Å; F462-F470 PolarHBondContact N-O 2.83Å; F462-F470 WeakPolarHBondContact O-CD1 3.47Å; F462-F470 PolarHBondContact O-N 3.33Å; F462-L597 HydrophobicContact CD2-CD1 3.77Å; F462-L597 HydrophobicContact CE2-CD1 3.51Å
463	T	95.3	Very high	95.1	Very high	60 Å²	60	39.8 Å²	39.8	37%	0.368	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.7	-179.1	-55.6	0	0	0	0	110.4	F437 T469	F437-T463 VanDerWaalsContact CZ-O 3.25Å; F437-T463 WeakPolarHBondContact CZ-O 3.4Å; T463-T469 PolarHBondContact OG1-OG1 3.38Å
464	S	94.1	Very high	95.3	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	20%	0.198	C	C	.	.			trans	-62.7	163.2	176.1	61.4	0	0	0	0	113.2	E436 E466 G467 Y468	E436-S464 WeakPolarHBondContact OE1-CA 3.32Å; S464-E466 PolarHBondContact O-N 3.1Å; S464-E466 VanDerWaalsContact O-N 3.16Å; S464-G467 PolarHBondContact O-N 2.87Å; S464-Y468 WeakPolarHBondContact CB-O 3.45Å; S464-Y468 PolarHBondContact N-O 3.16Å; S464-Y468 PolarHBondContact OG-N 3.48Å; S464-Y468 VanDerWaalsContact OG-N 3.13Å; S464-Y468 PolarHBondContact OG-O 3.32Å
465	K	90.6	Very high	95.5	Very high	174 Å²	174	34.3 Å²	34.3	76%	0.757	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.8	173.4	-68.3	171.3	-172.6	169.3	0	113.7	E436 G467	E436-K465 PolarHBondContact OE1-N 2.83Å; K465-G467 VanDerWaalsContact C-N 3.27Å
466	E	90.9	Very high	95.6	Very high	77 Å²	77	31.3 Å²	31.3	36%	0.36	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.3	179.6	-61.4	91.1	145.7	0	0	112.9	S464 Y468 D601	S464-E466 PolarHBondContact O-N 3.1Å; S464-E466 VanDerWaalsContact O-N 3.16Å; E466-Y468 HydrophobicContact CB-CD2 4.31Å; E466-D601 WeakPolarHBondContact OE1-CB 3.28Å; E466-D601 PolarHBondContact OE1-N 2.7Å
467	G	93.5	Very high	95.4	Very high	25 Å²	25	30.4 Å²	30.4	26%	0.258	16%	0.16	S	C	.	.	S	Bend	trans	84.8	3.3	173.8	0	0	0	0	0	115	S464 K465 Q501	S464-G467 PolarHBondContact O-N 2.87Å; K465-G467 VanDerWaalsContact C-N 3.27Å; G467-Q501 PolarHBondContact O-NE2 2.91Å
468	Y	96.3	Very high	95.2	Very high	12 Å²	12	28.3 Å²	28.3	5%	0.047	15%	0.149	C	C	.	.			trans	-83.9	136.5	171.7	-71.1	-91.8	0	0	0	110.3	S464 E466 Q501 T502 W503 C505 P506	S464-Y468 WeakPolarHBondContact CB-O 3.45Å; S464-Y468 PolarHBondContact N-O 3.16Å; S464-Y468 PolarHBondContact OG-N 3.48Å; S464-Y468 VanDerWaalsContact OG-N 3.13Å; S464-Y468 PolarHBondContact OG-O 3.32Å; E466-Y468 HydrophobicContact CB-CD2 4.31Å; Y468-Q501 HydrophobicContact CD1-CB 4.28Å; Y468-Q501 HydrophobicContact CD1-CG 4.14Å; Y468-Q501 HydrophobicContact CE1-CB 3.75Å; Y468-Q501 HydrophobicContact CE1-CG 4.1Å; Y468-Q501 HydrophobicContact CG-CG 4.39Å; Y468-T502 WeakPolarHBondContact OH-CA 3.48Å; Y468-T502 PolarHBondContact OH-N 2.89Å; Y468-T502 PolarHBondContact OH-O 3.49Å; Y468-W503 HydrophobicContact CD1-CH2 4.01Å; Y468-W503 HydrophobicContact CD1-CZ2 4.17Å; Y468-W503 HydrophobicContact CE1-CH2 4.13Å; Y468-W503 HydrophobicContact CE1-CZ2 4.13Å; Y468-W503 HydrophobicContact CE1-CZ3 4.38Å; Y468-C505 HydrophobicContact CD1-CB 4.38Å; Y468-C505 VanDerWaalsContact CD1-SG 3.55Å; Y468-C505 HydrophobicContact CE1-CB 3.95Å; Y468-C505 WeakPolarHBondContact CE1-SG 3.41Å; Y468-P506 WeakPolarHBondContact OH-CD 3.48Å
469	T	96.7	Very high	94.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.1	175.7	-53.9	0	0	0	0	110	P461 F462 T463 V493	P461-T469 HydrophobicContact CB-CG2 3.71Å; F462-T469 CarbonylContact O-C 3.53Å; F462-T469 WeakPolarHBondContact O-CA 3.36Å; F462-T469 WeakPolarHBondContact O-CG2 3.39Å; T463-T469 PolarHBondContact OG1-OG1 3.38Å; T469-V493 WeakPolarHBondContact CB-O 3.4Å; T469-V493 HydrophobicContact CG2-CB 3.88Å; T469-V493 HydrophobicContact CG2-CG1 4.07Å; T469-V493 PolarHBondContact O-N 3.34Å
470	F	97.2	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165	174.2	79.2	-70.8	0	0	0	112.6	F437 F462 H491 M510 L597 M599	F437-F470 AromaticContact CD2-CE1 3.74Å; F437-F470 HydrophobicContact CD2-CE1 3.74Å; F437-F470 AromaticContact CD2-CZ 3.98Å; F437-F470 HydrophobicContact CD2-CZ 3.98Å; F437-F470 AromaticContact CE2-CE1 3.69Å; F437-F470 HydrophobicContact CE2-CE1 3.69Å; F437-F470 HydrophobicContact CE2-CZ 4.36Å; F462-F470 HydrophobicContact CB-CD1 4.27Å; F462-F470 HydrophobicContact CB-CE1 3.96Å; F462-F470 PolarHBondContact N-O 2.83Å; F462-F470 WeakPolarHBondContact O-CD1 3.47Å; F462-F470 PolarHBondContact O-N 3.33Å; F470-H491 CarbonylContact C-O 3.58Å; F470-H491 WeakPolarHBondContact CA-O 3.16Å; F470-H491 VanDerWaalsContact CB-O 3.27Å; F470-H491 WeakPolarHBondContact CB-O 3.29Å; F470-M510 HydrophobicContact CB-SD 3.64Å; F470-M510 HydrophobicContact CD2-CG 4.15Å; F470-M510 HydrophobicContact CD2-SD 3.82Å; F470-M510 HydrophobicContact CG-CG 4.35Å; F470-M510 HydrophobicContact CG-SD 3.89Å; F470-L597 HydrophobicContact CE2-CB 4.01Å; F470-L597 HydrophobicContact CE2-CD1 4.43Å; F470-L597 HydrophobicContact CZ-CB 3.73Å; F470-M599 HydrophobicContact CB-CE 3.55Å; F470-M599 HydrophobicContact CD1-CB 4.02Å; F470-M599 HydrophobicContact CD1-CE 3.79Å; F470-M599 HydrophobicContact CD1-SD 4.35Å; F470-M599 HydrophobicContact CE1-CB 3.8Å; F470-M599 HydrophobicContact CG-CE 3.78Å; F470-M599 HydrophobicContact CZ-CB 4.41Å
471	Q	96.8	Very high	93.9	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133	179.9	-166.9	173.2	46.1	0	0	108.9	F458 S459 H491 V493 Y565	F458-Q471 HydrophobicContact CB-CG 4.21Å; F458-Q471 HydrophobicContact CD1-CG 4.41Å; S459-Q471 VanDerWaalsContact O-CD 3.3Å; S459-Q471 WeakPolarHBondContact O-CG 3.46Å; S459-Q471 PolarHBondContact O-NE2 2.03Å; S459-Q471 WeakPolarHBondContact OG-CG 3.47Å; Q471-H491 PolarHBondContact N-O 3.12Å; Q471-H491 PolarHBondContact O-N 3.02Å; Q471-V493 HydrophobicContact CB-CG2 3.8Å; Q471-Y565 PolarHBondContact NE2-OH 2.88Å
472	M	97.8	Very high	93.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.2	165.6	-176.6	179.3	179.8	0	0	109.9	W439 S459 I474 A488 Y489 M512 F595 L597	W439-M472 HydrophobicContact CE3-CB 4.31Å; W439-M472 HydrophobicContact CE3-CG 4.36Å; W439-M472 HydrophobicContact CE3-SD 3.9Å; W439-M472 HydrophobicContact CZ3-CB 4.11Å; W439-M472 HydrophobicContact CZ3-CE 4.49Å; W439-M472 HydrophobicContact CZ3-CG 3.88Å; W439-M472 HydrophobicContact CZ3-SD 3.76Å; S459-M472 PolarHBondContact N-O 2.8Å; S459-M472 PolarHBondContact OG-N 3.24Å; S459-M472 PolarHBondContact OG-O 3.45Å; M472-I474 HydrophobicContact CE-CD1 4.44Å; M472-A488 HydrophobicContact CE-CB 3.78Å; M472-Y489 CarbonylContact C-O 3.53Å; M472-Y489 WeakPolarHBondContact CA-O 3.18Å; M472-M512 HydrophobicContact CE-CB 4.08Å; M472-M512 HydrophobicContact CE-CG 4.42Å; M472-M512 HydrophobicContact CE-SD 4.35Å; M472-M512 HydrophobicContact CG-CG 4.13Å; M472-M512 HydrophobicContact CG-SD 3.87Å; M472-M512 HydrophobicContact SD-CB 4.06Å; M472-M512 HydrophobicContact SD-CG 4.04Å; M472-M512 HydrophobicContact SD-SD 4.36Å; M472-F595 HydrophobicContact CE-CD1 3.63Å; M472-F595 HydrophobicContact CE-CE1 3.79Å; M472-F595 HydrophobicContact CE-CG 4.45Å; M472-F595 HydrophobicContact SD-CB 4.3Å; M472-F595 HydrophobicContact SD-CD1 3.9Å; M472-F595 HydrophobicContact SD-CG 4.2Å; M472-L597 HydrophobicContact CB-CD1 4.03Å; M472-L597 HydrophobicContact CB-CD2 4.22Å; M472-L597 HydrophobicContact CG-CD2 4.48Å; M472-L597 HydrophobicContact SD-CD2 3.54Å; M472-L597 VanDerWaalsContact SD-CD2 3.54Å
473	Q	97.8	Very high	92.4	Very high	9 Å²	9	39 Å²	39	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.3	165.7	-178.2	-175.7	30	0	0	108.5	S456 F458 Y475 A488 Y489 H491	S456-Q473 VanDerWaalsContact CB-NE2 3.27Å; S456-Q473 PolarHBondContact OG-NE2 3.35Å; F458-Q473 HydrophobicContact CD1-CB 3.72Å; F458-Q473 HydrophobicContact CD1-CG 3.91Å; F458-Q473 HydrophobicContact CE1-CB 3.5Å; F458-Q473 HydrophobicContact CE1-CG 3.38Å; F458-Q473 HydrophobicContact CE2-CG 4.47Å; F458-Q473 HydrophobicContact CZ-CB 4.33Å; F458-Q473 HydrophobicContact CZ-CG 3.69Å; F458-Q473 VanDerWaalsContact CZ-NE2 3.29Å; Q473-Y475 HydrophobicContact CG-CE2 4.03Å; Q473-Y475 VanDerWaalsContact NE2-CZ 3.34Å; Q473-Y475 PolarHBondContact NE2-OH 3.5Å; Q473-A488 WeakPolarHBondContact O-CA 3.36Å; Q473-Y489 PolarHBondContact N-O 2.91Å; Q473-Y489 PolarHBondContact O-N 2.99Å; Q473-H491 WeakPolarHBondContact CB-NE2 3.2Å; Q473-H491 PolarHBondContact OE1-NE2 3.18Å
474	I	97.3	Very high	91.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.3	171.3	-163.6	171.8	0	0	0	110.2	W439 F444 S456 I457 M472 P476 L486 S487 F595	W439-I474 HydrophobicContact CH2-CB 4.32Å; W439-I474 HydrophobicContact CH2-CG2 3.6Å; W439-I474 HydrophobicContact CZ3-CB 4.46Å; W439-I474 HydrophobicContact CZ3-CG2 4.15Å; F444-I474 HydrophobicContact CE2-CD1 4.42Å; F444-I474 HydrophobicContact CZ-CD1 3.94Å; S456-I474 CarbonylContact C-O 3.49Å; S456-I474 WeakPolarHBondContact CA-O 3.24Å; S456-I474 WeakPolarHBondContact CB-O 3.41Å; I457-I474 HydrophobicContact CD1-CG2 3.73Å; I457-I474 HydrophobicContact CG1-CG2 3.24Å; I457-I474 PolarHBondContact N-O 3.49Å; I457-I474 PolarHBondContact O-N 2.76Å; M472-I474 HydrophobicContact CE-CD1 4.44Å; I474-P476 HydrophobicContact CG2-CG 4.44Å; I474-P476 WeakPolarHBondContact O-CD 3.29Å; I474-L486 HydrophobicContact CD1-CD1 4.49Å; I474-S487 CarbonylContact C-O 3.5Å; I474-S487 VanDerWaalsContact CA-O 3.24Å; I474-S487 WeakPolarHBondContact CA-O 3.23Å; I474-S487 VanDerWaalsContact CG1-O 3.29Å; I474-S487 WeakPolarHBondContact CG1-O 3.38Å; I474-F595 HydrophobicContact CD1-CE1 3.66Å; I474-F595 HydrophobicContact CD1-CE2 4.3Å; I474-F595 HydrophobicContact CD1-CZ 3.34Å
475	Y	96.8	Very high	91.8	Very high	19 Å²	19	39 Å²	39	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	100.8	168.1	-64.2	-102.4	0	0	0	107.5	Q473 S477 G478 K479 S487 Y489	Q473-Y475 HydrophobicContact CG-CE2 4.03Å; Q473-Y475 VanDerWaalsContact NE2-CZ 3.34Å; Q473-Y475 PolarHBondContact NE2-OH 3.5Å; Y475-S477 PolarHBondContact O-N 2.91Å; Y475-G478 PolarHBondContact O-N 2.72Å; Y475-K479 HydrophobicContact CD1-CG 3.86Å; Y475-K479 HydrophobicContact CD2-CD 4.18Å; Y475-K479 HydrophobicContact CD2-CG 4.03Å; Y475-K479 HydrophobicContact CE1-CD 4.41Å; Y475-K479 HydrophobicContact CE1-CG 4.06Å; Y475-K479 HydrophobicContact CE2-CD 4Å; Y475-K479 HydrophobicContact CE2-CG 4.24Å; Y475-K479 HydrophobicContact CG-CD 4.47Å; Y475-K479 HydrophobicContact CG-CG 3.83Å; Y475-S487 PolarHBondContact N-O 2.85Å; Y475-S487 PolarHBondContact O-N 2.83Å; Y475-Y489 HydrophobicContact CD2-CD2 4.1Å; Y475-Y489 AromaticContact CD2-CE2 3.98Å; Y475-Y489 HydrophobicContact CD2-CE2 3.98Å; Y475-Y489 AromaticContact CE2-CD2 3.74Å; Y475-Y489 HydrophobicContact CE2-CD2 3.74Å; Y475-Y489 AromaticContact CE2-CE2 3.71Å; Y475-Y489 HydrophobicContact CE2-CE2 3.71Å
476	P	95.8	Very high	92	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.6	-173.3	-22.8	34.7	0	0	0	113.7	F444 V447 M448 T451 T455 I457 I474 L486 H579	F444-P476 HydrophobicContact CE2-CB 4.48Å; V447-P476 HydrophobicContact CG1-CB 3.89Å; V447-P476 HydrophobicContact CG1-CG 3.67Å; M448-P476 HydrophobicContact CG-CB 4.25Å; T451-P476 HydrophobicContact CG2-CG 4.11Å; T455-P476 WeakPolarHBondContact O-CD 3.45Å; I457-P476 HydrophobicContact CD1-CG 4.18Å; I457-P476 HydrophobicContact CG1-CG 4.2Å; I474-P476 HydrophobicContact CG2-CG 4.44Å; I474-P476 WeakPolarHBondContact O-CD 3.29Å; P476-L486 WeakPolarHBondContact O-CD2 3.47Å; P476-H579 PolarHBondContact O-CE1 2.65Å; P476-H579 VanDerWaalsContact O-CE1 3.32Å; P476-H579 PolarHBondContact O-NE2 3.3Å
477	S	92.3	Very high	92.3	Very high	12 Å²	12	27 Å²	27	8%	0.084	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	8.8	179.7	-58.4	0	0	0	0	113.5	M448 T451 Y475 Q485	M448-S477 PolarHBondContact O-OG 3.13Å; T451-S477 VanDerWaalsContact O-CB 3.23Å; T451-S477 WeakPolarHBondContact O-CB 3.26Å; T451-S477 PolarHBondContact O-OG 3.08Å; Y475-S477 PolarHBondContact O-N 2.91Å; S477-Q485 CarbonylContact C-O 3.54Å
478	G	91.4	Very high	92.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.16	C	C	.	.			trans	80.9	175	-177.4	0	0	0	0	0	113.5	T453 D454 Y475 Q485	T453-G478 WeakPolarHBondContact CG2-O 3.22Å; D454-G478 PolarHBondContact N-O 2.89Å; Y475-G478 PolarHBondContact O-N 2.72Å; G478-Q485 WeakPolarHBondContact CA-O 3.46Å; G478-Q485 PolarHBondContact N-O 2.83Å
479	K	90.2	Very high	92.5	Very high	46 Å²	46	25.4 Å²	25.4	20%	0.2	16%	0.158	C	C	.	.			trans	-92.4	167	172.5	-64	-175.8	69.8	155.4	0	111.1	D454 Y475 G481 Y482 Y489	D454-K479 WeakPolarHBondContact OD1-CA 3.43Å; D454-K479 WeakPolarHBondContact OD1-CB 3.36Å; Y475-K479 HydrophobicContact CD1-CG 3.86Å; Y475-K479 HydrophobicContact CD2-CD 4.18Å; Y475-K479 HydrophobicContact CD2-CG 4.03Å; Y475-K479 HydrophobicContact CE1-CD 4.41Å; Y475-K479 HydrophobicContact CE1-CG 4.06Å; Y475-K479 HydrophobicContact CE2-CD 4Å; Y475-K479 HydrophobicContact CE2-CG 4.24Å; Y475-K479 HydrophobicContact CG-CD 4.47Å; Y475-K479 HydrophobicContact CG-CG 3.83Å; K479-G481 PolarHBondContact O-N 2.99Å; K479-Y482 CarbonylContact O-C 3.53Å; K479-Y482 WeakPolarHBondContact O-CA 3.44Å; K479-Y482 PolarHBondContact O-N 2.95Å; K479-Y489 HydrophobicContact CD-CE2 3.86Å; K479-Y489 WeakPolarHBondContact CD-OH 3.09Å
480	E	86.6	Confident	92.6	Very high	165 Å²	165	25.2 Å²	25.2	77%	0.771	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	131.8	173.1	-159.4	173.2	177.3	0	0	110.2	D454 Y482	D454-E480 VanDerWaalsContact CG-N 3.26Å; D454-E480 PolarHBondContact OD1-N 2.76Å; D454-E480 WeakPolarHBondContact OD2-CA 3.41Å; D454-E480 VanDerWaalsContact OD2-CB 3.29Å; D454-E480 WeakPolarHBondContact OD2-CB 2.93Å; D454-E480 PolarHBondContact OD2-N 3.25Å; E480-Y482 VanDerWaalsContact C-N 3.31Å; E480-Y482 PolarHBondContact O-N 3.36Å
481	G	83.5	Confident	92.6	Very high	78 Å²	78	25.5 Å²	25.5	80%	0.804	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	-9.1	-174.7	0	0	0	0	0	115.7	K479	K479-G481 PolarHBondContact O-N 2.99Å
482	Y	81.8	Confident	92.7	Very high	32 Å²	32	25.5 Å²	25.5	13%	0.125	16%	0.158	C	C	.	.			trans	-128.7	37.9	-177.1	-67.1	-86.5	0	0	0	113.4	G38 R39 K479 E480 G484 Q485 A574 A575	G38-Y482 WeakPolarHBondContact CA-OH 3.47Å; G38-Y482 PolarHBondContact O-OH 2.8Å; G38-Y482 VanDerWaalsContact O-OH 3.07Å; R39-Y482 PolarHBondContact N-OH 2.94Å; K479-Y482 CarbonylContact O-C 3.53Å; K479-Y482 WeakPolarHBondContact O-CA 3.44Å; K479-Y482 PolarHBondContact O-N 2.95Å; E480-Y482 VanDerWaalsContact C-N 3.31Å; E480-Y482 PolarHBondContact O-N 3.36Å; Y482-G484 PolarHBondContact O-N 3.11Å; Y482-Q485 PolarHBondContact O-N 2.97Å; Y482-Q485 VanDerWaalsContact O-N 3.16Å; Y482-A574 HydrophobicContact CD2-CB 3.88Å; Y482-A574 HydrophobicContact CE1-CB 4.26Å; Y482-A574 HydrophobicContact CE2-CB 3.49Å; Y482-A574 VanDerWaalsContact CE2-CB 3.49Å; Y482-A574 HydrophobicContact CG-CB 4.29Å; Y482-A574 WeakPolarHBondContact OH-CB 3.36Å; Y482-A575 HydrophobicContact CE1-CB 4.46Å
483	S	78.1	Confident	92.7	Very high	98 Å²	98	25.6 Å²	25.6	69%	0.685	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	131.2	176.1	58.1	0	0	0	0	110.9
484	G	85.3	Confident	92.6	Very high	32 Å²	32	25.2 Å²	25.2	33%	0.33	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	13	-179	0	0	0	0	0	114.5	Y482 H579	Y482-G484 PolarHBondContact O-N 3.11Å; G484-H579 WeakPolarHBondContact O-CB 3.35Å; G484-H579 PolarHBondContact O-CD2 2.84Å; G484-H579 PolarHBondContact O-N 3.01Å
485	Q	90.6	Very high	92.4	Very high	34 Å²	34	29.5 Å²	29.5	16%	0.159	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.9	169.1	-54.8	-161.7	14.6	0	0	111.1	S477 G478 Y482 T578	S477-Q485 CarbonylContact C-O 3.54Å; G478-Q485 WeakPolarHBondContact CA-O 3.46Å; G478-Q485 PolarHBondContact N-O 2.83Å; Y482-Q485 PolarHBondContact O-N 2.97Å; Y482-Q485 VanDerWaalsContact O-N 3.16Å; Q485-T578 HydrophobicContact CG-CG2 4.4Å
486	L	95.6	Very high	92	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140	162.8	-58.8	-179.2	0	0	0	108.2	F444 M448 I474 P476 L514 Y576 L577 A582	F444-L486 HydrophobicContact CE1-CD1 4.1Å; F444-L486 HydrophobicContact CE1-CD2 4.35Å; F444-L486 HydrophobicContact CZ-CD1 4.24Å; F444-L486 HydrophobicContact CZ-CD2 4.01Å; M448-L486 HydrophobicContact CG-CD2 4.12Å; M448-L486 HydrophobicContact SD-CD2 3.89Å; I474-L486 HydrophobicContact CD1-CD1 4.49Å; P476-L486 WeakPolarHBondContact O-CD2 3.47Å; L486-L514 HydrophobicContact CD1-CD2 4.26Å; L486-Y576 HydrophobicContact CB-CD1 4.22Å; L486-Y576 WeakPolarHBondContact O-CA 3.18Å; L486-Y576 WeakPolarHBondContact O-CB 3.4Å; L486-Y576 PolarHBondContact O-N 3.28Å; L486-L577 WeakPolarHBondContact CB-O 3.41Å; L486-L577 HydrophobicContact CD1-CB 4.38Å; L486-L577 PolarHBondContact N-O 3.1Å; L486-L577 PolarHBondContact O-N 3.14Å; L486-A582 HydrophobicContact CD1-CB 3.86Å
487	S	96.3	Very high	91.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.4	169.5	-46.4	0	0	0	0	109.6	I474 Y475 T573 A574	I474-S487 CarbonylContact C-O 3.5Å; I474-S487 VanDerWaalsContact CA-O 3.24Å; I474-S487 WeakPolarHBondContact CA-O 3.23Å; I474-S487 VanDerWaalsContact CG1-O 3.29Å; I474-S487 WeakPolarHBondContact CG1-O 3.38Å; Y475-S487 PolarHBondContact N-O 2.85Å; Y475-S487 PolarHBondContact O-N 2.83Å; S487-T573 CarbonylContact C-O 3.58Å; S487-T573 WeakPolarHBondContact CA-O 3.29Å; S487-T573 WeakPolarHBondContact CB-O 3.5Å; S487-A574 WeakPolarHBondContact CB-O 3.36Å; S487-A574 PolarHBondContact OG-O 2.92Å
488	A	97.3	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.7	-173.4	0	0	0	0	0	112	M472 Q473 M512 G572 T573 Y576	M472-A488 HydrophobicContact CE-CB 3.78Å; Q473-A488 WeakPolarHBondContact O-CA 3.36Å; A488-M512 HydrophobicContact CB-SD 4.36Å; A488-G572 CarbonylContact O-C 3.52Å; A488-G572 VanDerWaalsContact O-CA 3.32Å; A488-G572 WeakPolarHBondContact O-CA 3.41Å; A488-T573 PolarHBondContact N-O 2.97Å; A488-T573 PolarHBondContact O-N 3.46Å; A488-Y576 HydrophobicContact CB-CD1 4.16Å; A488-Y576 HydrophobicContact CB-CD2 3.52Å; A488-Y576 HydrophobicContact CB-CE2 4.04Å; A488-Y576 HydrophobicContact CB-CG 3.58Å
489	Y	98.1	Very high	91.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.9	-179.7	-60.2	-96.2	0	0	0	111	D32 M472 Q473 Y475 K479	D32-Y489 HydrophobicContact CB-CD1 4.28Å; D32-Y489 HydrophobicContact CB-CE1 4.33Å; M472-Y489 CarbonylContact C-O 3.53Å; M472-Y489 WeakPolarHBondContact CA-O 3.18Å; Q473-Y489 PolarHBondContact N-O 2.91Å; Q473-Y489 PolarHBondContact O-N 2.99Å; Y475-Y489 HydrophobicContact CD2-CD2 4.1Å; Y475-Y489 AromaticContact CD2-CE2 3.98Å; Y475-Y489 HydrophobicContact CD2-CE2 3.98Å; Y475-Y489 AromaticContact CE2-CD2 3.74Å; Y475-Y489 HydrophobicContact CE2-CD2 3.74Å; Y475-Y489 AromaticContact CE2-CE2 3.71Å; Y475-Y489 HydrophobicContact CE2-CE2 3.71Å; K479-Y489 HydrophobicContact CD-CE2 3.86Å; K479-Y489 WeakPolarHBondContact CD-OH 3.09Å
490	A	98.2	Very high	91.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.8	171.8	0	0	0	0	0	110.1	M510 M512 V531 G570 F571	A490-M510 HydrophobicContact CB-CB 4.26Å; A490-M510 HydrophobicContact CB-CE 3.85Å; A490-M510 HydrophobicContact CB-SD 3.86Å; A490-M512 HydrophobicContact CB-CE 4.2Å; A490-M512 HydrophobicContact CB-SD 3.96Å; A490-V531 HydrophobicContact CB-CG2 3.81Å; A490-G570 WeakPolarHBondContact O-CA 3.32Å; A490-F571 PolarHBondContact N-O 2.95Å; A490-F571 PolarHBondContact O-N 2.89Å
491	H	98.3	Very high	91.5	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.023	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.3	178.3	-59.5	-102.9	0	0	0	110.1	D32 F470 Q471 Q473 R567 G568 G570	D32-H491 IonicContact OD1-CE1 3.45Å; F470-H491 CarbonylContact C-O 3.58Å; F470-H491 WeakPolarHBondContact CA-O 3.16Å; F470-H491 VanDerWaalsContact CB-O 3.27Å; F470-H491 WeakPolarHBondContact CB-O 3.29Å; Q471-H491 PolarHBondContact N-O 3.12Å; Q471-H491 PolarHBondContact O-N 3.02Å; Q473-H491 WeakPolarHBondContact CB-NE2 3.2Å; Q473-H491 PolarHBondContact OE1-NE2 3.18Å; H491-R567 HydrophobicContact CB-CG 3.63Å; H491-G568 PolarHBondContact ND1-O 2.9Å; H491-G570 WeakPolarHBondContact CE1-CA 3.21Å; H491-G570 PolarHBondContact CE1-N 3.23Å; H491-G570 VanDerWaalsContact CE1-N 3.31Å; H491-G570 VanDerWaalsContact ND1-CA 3.26Å; H491-G570 WeakPolarHBondContact ND1-CA 3.44Å; H491-G570 PolarHBondContact ND1-N 2.85Å
492	L	98.1	Very high	92.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	144.4	161.9	-66.2	178.6	0	0	0	110	W503 C505 M510 T533 W547 P550 G568 M599	L492-W503 HydrophobicContact CB-CH2 4.28Å; L492-W503 HydrophobicContact CB-CZ3 4.44Å; L492-W503 HydrophobicContact CD1-CH2 3.97Å; L492-W503 HydrophobicContact CD1-CZ3 3.49Å; L492-W503 VanDerWaalsContact CD1-CZ3 3.49Å; L492-C505 HydrophobicContact CD1-CB 3.43Å; L492-C505 VanDerWaalsContact CD1-CB 3.43Å; L492-M510 HydrophobicContact CD2-CE 4.49Å; L492-M510 HydrophobicContact CD2-SD 4.29Å; L492-T533 HydrophobicContact CD1-CG2 4.21Å; L492-W547 HydrophobicContact CD1-CB 4.45Å; L492-W547 HydrophobicContact CD1-CD2 4.47Å; L492-W547 HydrophobicContact CD1-CE3 3.56Å; L492-W547 HydrophobicContact CD1-CZ3 4.2Å; L492-W547 HydrophobicContact CG-CE3 3.79Å; L492-W547 HydrophobicContact CG-CZ3 3.91Å; L492-P550 HydrophobicContact CB-CG 3.91Å; L492-P550 WeakPolarHBondContact O-CG 3.46Å; L492-G568 PolarHBondContact O-N 2.77Å; L492-M599 HydrophobicContact CD2-CE 3.74Å
493	V	96.8	Very high	92.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.2	179.5	174.7	0	0	0	0	109	P461 T469 Q471 Y565 F566	P461-V493 HydrophobicContact CB-CG1 4.31Å; T469-V493 WeakPolarHBondContact CB-O 3.4Å; T469-V493 HydrophobicContact CG2-CB 3.88Å; T469-V493 HydrophobicContact CG2-CG1 4.07Å; T469-V493 PolarHBondContact O-N 3.34Å; Q471-V493 HydrophobicContact CB-CG2 3.8Å; V493-Y565 HydrophobicContact CG1-CD2 3.6Å; V493-Y565 HydrophobicContact CG1-CE2 4.31Å; V493-Y565 HydrophobicContact CG1-CG 4.04Å; V493-F566 WeakPolarHBondContact CA-O 3.49Å
494	A	96.5	Very high	93.7	Very high	1 Å²	1	39 Å²	39	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.1	171.2	0	0	0	0	0	110.5	P550 R551 F566	A494-P550 HydrophobicContact CB-CB 3.94Å; A494-P550 HydrophobicContact CB-CG 3.95Å; A494-R551 HydrophobicContact CB-CG 4.16Å; A494-F566 PolarHBondContact N-O 2.89Å; A494-F566 PolarHBondContact O-N 3.24Å
495	R	93.6	Very high	94.3	Very high	90 Å²	90	37.4 Å²	37.4	34%	0.34	23%	0.227	S	C	.	.			trans	-94.8	159.6	168.7	-56.5	179.8	-178.5	106.1	-2.6	109.4	G497 D498 R551	R495-G497 PolarHBondContact O-N 2.93Å; R495-D498 PolarHBondContact N-OD2 3Å; R495-D498 WeakPolarHBondContact O-CB 3.16Å; R495-D498 PolarHBondContact O-N 3.17Å; R495-R551 PolarHBondContact O-NH1 2.86Å
496	E	88.5	Confident	94.7	Very high	143 Å²	143	37.7 Å²	37.7	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.4	-179.5	-163.1	66	-172.3	0	0	112.4	R551 F566	E496-R551 PolarHBondContact O-NH1 2.85Å; E496-F566 WeakPolarHBondContact OE2-CE2 3.49Å
497	G	85.5	Confident	94.8	Very high	65 Å²	65	40.4 Å²	40.4	67%	0.67	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.5	179.3	0	0	0	0	0	115.9	R495 T499	R495-G497 PolarHBondContact O-N 2.93Å; G497-T499 PolarHBondContact O-N 3.01Å
498	D	89.6	Confident	94.8	Very high	31 Å²	31	40.8 Å²	40.8	17%	0.166	24%	0.244	C	C	.	.			trans	-71.3	124.2	-178	-69.1	-12.6	0	0	0	110.1	R495 R551	R495-D498 PolarHBondContact N-OD2 3Å; R495-D498 WeakPolarHBondContact O-CB 3.16Å; R495-D498 PolarHBondContact O-N 3.17Å; D498-R551 PolarHBondContact O-NH1 2.79Å; D498-R551 PolarHBondContact O-NH2 2.81Å
499	T	87.9	Confident	94.9	Very high	121 Å²	121	40.9 Å²	40.9	74%	0.742	24%	0.244	S	C	*	.			trans	-137.7	157.2	-179.6	59.2	0	0	0	0	110.7	G497 Q501	G497-T499 PolarHBondContact O-N 3.01Å; T499-Q501 PolarHBondContact O-OE1 2.82Å
500	G	88.6	Confident	94.9	Very high	83 Å²	83	40.8 Å²	40.8	86%	0.856	24%	0.244	S	C	*	.	S	Bend	trans	92.9	-10.4	176.5	0	0	0	0	0	115.3
501	Q	94.3	Very high	94.9	Very high	38 Å²	38	41 Å²	41	18%	0.178	25%	0.245	C	C	.	.			trans	-73.2	144.8	172.2	-59.1	83.7	-0.4	0	0	111.3	G467 Y468 T499 W503	G467-Q501 PolarHBondContact O-NE2 2.91Å; Y468-Q501 HydrophobicContact CD1-CB 4.28Å; Y468-Q501 HydrophobicContact CD1-CG 4.14Å; Y468-Q501 HydrophobicContact CE1-CB 3.75Å; Y468-Q501 HydrophobicContact CE1-CG 4.1Å; Y468-Q501 HydrophobicContact CG-CG 4.39Å; T499-Q501 PolarHBondContact O-OE1 2.82Å; Q501-W503 HydrophobicContact CB-CZ2 4.19Å
502	T	96.1	Very high	94.9	Very high	92 Å²	92	40.8 Å²	40.8	56%	0.564	24%	0.244	S	C	*	.			trans	-90.5	134.7	171.3	-59.9	0	0	0	0	110	Y468	Y468-T502 WeakPolarHBondContact OH-CA 3.48Å; Y468-T502 PolarHBondContact OH-N 2.89Å; Y468-T502 PolarHBondContact OH-O 3.49Å
503	W	96.1	Very high	94.9	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.186	25%	0.251	C	S	.	.	S	Bend	trans	-128.9	139	180	-62.5	106	0	0	0	110.7	Y468 L492 Q501 C505 D548 D549 P550	Y468-W503 HydrophobicContact CD1-CH2 4.01Å; Y468-W503 HydrophobicContact CD1-CZ2 4.17Å; Y468-W503 HydrophobicContact CE1-CH2 4.13Å; Y468-W503 HydrophobicContact CE1-CZ2 4.13Å; Y468-W503 HydrophobicContact CE1-CZ3 4.38Å; L492-W503 HydrophobicContact CB-CH2 4.28Å; L492-W503 HydrophobicContact CB-CZ3 4.44Å; L492-W503 HydrophobicContact CD1-CH2 3.97Å; L492-W503 HydrophobicContact CD1-CZ3 3.49Å; L492-W503 VanDerWaalsContact CD1-CZ3 3.49Å; Q501-W503 HydrophobicContact CB-CZ2 4.19Å; W503-C505 HydrophobicContact CE3-CB 4.02Å; W503-C505 HydrophobicContact CZ3-CB 3.82Å; W503-D548 WeakPolarHBondContact CZ3-O 3.45Å; W503-D549 HydrophobicContact CB-CB 4.27Å; W503-D549 VanDerWaalsContact CD2-CA 3.49Å; W503-D549 HydrophobicContact CD2-CB 3.87Å; W503-D549 HydrophobicContact CE3-CB 4.42Å; W503-D549 VanDerWaalsContact CE3-N 3.3Å; W503-D549 HydrophobicContact CG-CB 3.75Å; W503-P550 HydrophobicContact CH2-CG 4.1Å
504	P	97.3	Very high	95	Very high	27 Å²	27	42.1 Å²	42.1	18%	0.175	25%	0.25	C	S	.	.	S	Bend	cis	-61.2	149.6	-4.6	-22.7	35.5	0	0	0	113.8	P506 P535 F545 W547	P504-P506 VanDerWaalsContact O-CD 3.25Å; P504-P506 WeakPolarHBondContact O-CD 3.21Å; P504-P535 HydrophobicContact CB-CB 4.06Å; P504-P535 WeakPolarHBondContact CB-O 3.25Å; P504-F545 HydrophobicContact CB-CB 4.07Å; P504-F545 HydrophobicContact CB-CG 4.4Å; P504-F545 HydrophobicContact CG-CB 3.51Å; P504-F545 HydrophobicContact CG-CD1 4.07Å; P504-F545 HydrophobicContact CG-CD2 3.6Å; P504-F545 HydrophobicContact CG-CE2 4.31Å; P504-F545 HydrophobicContact CG-CG 3.45Å; P504-F545 VanDerWaalsContact CG-CG 3.45Å; P504-W547 CarbonylContact C-O 3.56Å; P504-W547 VanDerWaalsContact CA-O 3.29Å; P504-W547 WeakPolarHBondContact CA-O 3.37Å
505	C	97.9	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.			trans	-63.1	113.6	-172.3	-177	0	0	0	0	111.3	Y468 L492 W503 W507 K508 T533 W547	Y468-C505 HydrophobicContact CD1-CB 4.38Å; Y468-C505 VanDerWaalsContact CD1-SG 3.55Å; Y468-C505 HydrophobicContact CE1-CB 3.95Å; Y468-C505 WeakPolarHBondContact CE1-SG 3.41Å; L492-C505 HydrophobicContact CD1-CB 3.43Å; L492-C505 VanDerWaalsContact CD1-CB 3.43Å; W503-C505 HydrophobicContact CE3-CB 4.02Å; W503-C505 HydrophobicContact CZ3-CB 3.82Å; C505-W507 PolarHBondContact O-N 3.26Å; C505-K508 WeakPolarHBondContact SG-CG 3.24Å; C505-T533 HydrophobicContact CB-CG2 4.35Å; C505-T533 VanDerWaalsContact O-CB 3.25Å; C505-T533 WeakPolarHBondContact O-CB 3.38Å; C505-T533 PolarHBondContact O-OG1 2.91Å; C505-T533 PolarHBondContact SG-OG1 3Å; C505-W547 HydrophobicContact CB-CB 4.35Å; C505-W547 PolarHBondContact N-O 3.09Å
506	P	97.4	Very high	95.3	Very high	39 Å²	39	37.8 Å²	37.8	25%	0.253	23%	0.234	S	C	.	.			trans	-88.4	116	-172	32.8	-30.9	0	0	0	112.1	Y468 P504 K508 P535	Y468-P506 WeakPolarHBondContact OH-CD 3.48Å; P504-P506 VanDerWaalsContact O-CD 3.25Å; P504-P506 WeakPolarHBondContact O-CD 3.21Å; P506-K508 PolarHBondContact O-N 2.78Å; P506-P535 HydrophobicContact CB-CB 4.34Å; P506-P535 HydrophobicContact CB-CG 4.18Å
507	W	97.8	Very high	95.7	Very high	58 Å²	58	31 Å²	31	22%	0.22	20%	0.202	C	C	.	.	S	Bend	trans	52.7	47.6	162.5	-50.6	113.6	0	0	0	115.1	I91 C505 T532 T533 D534 P535 V602 A603 T606	I91-W507 HydrophobicContact CB-CE3 3.67Å; I91-W507 HydrophobicContact CB-CZ3 3.68Å; I91-W507 HydrophobicContact CG1-CD2 4.28Å; I91-W507 HydrophobicContact CG1-CE3 3.68Å; I91-W507 HydrophobicContact CG1-CH2 3.9Å; I91-W507 HydrophobicContact CG1-CZ2 4.45Å; I91-W507 HydrophobicContact CG1-CZ3 3.47Å; I91-W507 VanDerWaalsContact CG1-CZ3 3.47Å; I91-W507 HydrophobicContact CG2-CD2 4.36Å; I91-W507 HydrophobicContact CG2-CE3 3.73Å; I91-W507 HydrophobicContact CG2-CZ3 4.29Å; C505-W507 PolarHBondContact O-N 3.26Å; W507-T532 HydrophobicContact CE3-CG2 3.92Å; W507-T533 VanDerWaalsContact CA-O 3.24Å; W507-T533 WeakPolarHBondContact CA-O 3.38Å; W507-T533 PolarHBondContact N-O 2.95Å; W507-T533 PolarHBondContact N-OG1 3.2Å; W507-D534 HydrophobicContact CH2-CB 4.06Å; W507-D534 HydrophobicContact CZ3-CB 3.93Å; W507-P535 HydrophobicContact CZ2-CG 4.38Å; W507-V602 HydrophobicContact CB-CG2 4.41Å; W507-V602 WeakPolarHBondContact O-CG2 3.45Å; W507-V602 PolarHBondContact O-N 2.91Å; W507-A603 HydrophobicContact CB-CB 4.01Å; W507-A603 HydrophobicContact CG-CB 4.48Å; W507-T606 HydrophobicContact CD2-CG2 4.15Å; W507-T606 HydrophobicContact CG-CG2 4.17Å
508	K	98	Very high	96.3	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119	169.1	-57.7	-53.2	-176	-179.4	0	109.2	C505 P506 T532 T533 M599 E600 D601	C505-K508 WeakPolarHBondContact SG-CG 3.24Å; P506-K508 PolarHBondContact O-N 2.78Å; K508-T532 WeakPolarHBondContact O-CA 3.42Å; K508-T533 HydrophobicContact CB-CG2 4.3Å; K508-T533 PolarHBondContact N-OG1 2.97Å; K508-T533 PolarHBondContact O-N 3.14Å; K508-M599 HydrophobicContact CB-CE 4.48Å; K508-M599 HydrophobicContact CB-CG 4.07Å; K508-M599 HydrophobicContact CB-SD 4.27Å; K508-M599 HydrophobicContact CG-SD 4.48Å; K508-E600 WeakPolarHBondContact CA-O 3.27Å; K508-D601 HydrophobicContact CD-CB 4.34Å; K508-D601 IonicContact NZ-OD2 3.35Å; K508-D601 PolarHBondContact NZ-OD2 2.96Å
509	Q	98.2	Very high	96.6	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.5	174.7	-175.5	168.3	72.2	0	0	109.5	N92 V531 T532 M599 E600 V602	N92-Q509 PolarHBondContact O-NE2 2.92Å; N92-Q509 VanDerWaalsContact O-NE2 3.07Å; N92-Q509 PolarHBondContact OD1-NE2 3.34Å; Q509-V531 CarbonylContact C-O 3.47Å; Q509-V531 WeakPolarHBondContact CA-O 3.19Å; Q509-T532 WeakPolarHBondContact CB-OG1 3.32Å; Q509-T532 WeakPolarHBondContact CG-OG1 3.39Å; Q509-T532 PolarHBondContact NE2-OG1 3.04Å; Q509-M599 WeakPolarHBondContact O-CA 3.22Å; Q509-E600 PolarHBondContact N-O 2.98Å; Q509-E600 PolarHBondContact O-N 2.72Å; Q509-V602 HydrophobicContact CB-CG1 3.84Å; Q509-V602 HydrophobicContact CB-CG2 3.84Å
510	M	98.1	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.7	174.1	-67.3	175.5	-73.9	0	0	109.3	F470 A490 L492 S530 V531 T533 W547 T598 M599	F470-M510 HydrophobicContact CB-SD 3.64Å; F470-M510 HydrophobicContact CD2-CG 4.15Å; F470-M510 HydrophobicContact CD2-SD 3.82Å; F470-M510 HydrophobicContact CG-CG 4.35Å; F470-M510 HydrophobicContact CG-SD 3.89Å; A490-M510 HydrophobicContact CB-CB 4.26Å; A490-M510 HydrophobicContact CB-CE 3.85Å; A490-M510 HydrophobicContact CB-SD 3.86Å; L492-M510 HydrophobicContact CD2-CE 4.49Å; L492-M510 HydrophobicContact CD2-SD 4.29Å; M510-S530 CarbonylContact O-C 3.53Å; M510-S530 VanDerWaalsContact O-CA 3.25Å; M510-S530 WeakPolarHBondContact O-CA 3.36Å; M510-V531 HydrophobicContact CB-CG2 4.03Å; M510-V531 HydrophobicContact CE-CG2 3.91Å; M510-V531 PolarHBondContact N-O 2.75Å; M510-V531 PolarHBondContact O-N 3.43Å; M510-T533 HydrophobicContact CE-CG2 3.9Å; M510-W547 HydrophobicContact CE-CH2 3.58Å; M510-W547 HydrophobicContact CE-CZ3 3.73Å; M510-T598 CarbonylContact C-O 3.48Å; M510-T598 VanDerWaalsContact CA-O 3.31Å; M510-T598 WeakPolarHBondContact CA-O 3.37Å; M510-M599 HydrophobicContact CG-CB 4.33Å; M510-M599 HydrophobicContact CG-CE 3.39Å; M510-M599 HydrophobicContact CG-CG 4.26Å; M510-M599 HydrophobicContact SD-CE 3.36Å; M510-M599 WeakPolarHBondContact SD-CE 3.37Å
511	T	97.9	Very high	97.5	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.9	177	-57.1	0	0	0	0	110.2	K99 Q528 S530 L597 T598	K99-T511 VanDerWaalsContact CE-OG1 3.31Å; K99-T511 WeakPolarHBondContact CE-OG1 3.41Å; K99-T511 PolarHBondContact NZ-OG1 3.14Å; T511-Q528 VanDerWaalsContact CG2-CD 3.46Å; T511-Q528 HydrophobicContact CG2-CG 3.44Å; T511-Q528 VanDerWaalsContact CG2-CG 3.44Å; T511-S530 WeakPolarHBondContact CG2-OG 3.44Å; T511-S530 PolarHBondContact OG1-OG 3.5Å; T511-S530 VanDerWaalsContact OG1-OG 3.04Å; T511-L597 WeakPolarHBondContact O-CA 3.11Å; T511-T598 WeakPolarHBondContact CB-OG1 3.45Å; T511-T598 PolarHBondContact N-O 2.89Å; T511-T598 PolarHBondContact O-N 2.78Å
512	M	98.1	Very high	97.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105.3	177.3	-62.4	171.9	-71.9	0	0	108.7	M472 A488 A490 R529 V531 Y576 L597	M472-M512 HydrophobicContact CE-CB 4.08Å; M472-M512 HydrophobicContact CE-CG 4.42Å; M472-M512 HydrophobicContact CE-SD 4.35Å; M472-M512 HydrophobicContact CG-CG 4.13Å; M472-M512 HydrophobicContact CG-SD 3.87Å; M472-M512 HydrophobicContact SD-CB 4.06Å; M472-M512 HydrophobicContact SD-CG 4.04Å; M472-M512 HydrophobicContact SD-SD 4.36Å; A488-M512 HydrophobicContact CB-SD 4.36Å; A490-M512 HydrophobicContact CB-CE 4.2Å; A490-M512 HydrophobicContact CB-SD 3.96Å; M512-R529 PolarHBondContact N-O 3.42Å; M512-R529 PolarHBondContact O-N 3.31Å; M512-V531 HydrophobicContact CE-CG1 4.32Å; M512-Y576 PolarHBondContact O-OH 3.36Å; M512-L597 HydrophobicContact CB-CD2 4.3Å; M512-L597 HydrophobicContact CG-CD2 4.22Å
513	M	98.3	Very high	97.7	Very high	30 Å²	30	22.2 Å²	22.2	15%	0.148	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.1	-177.9	179.6	-171.5	-69.3	0	0	111	N527 Q528 F595 L596	M513-N527 CarbonylContact C-O 3.59Å; M513-N527 VanDerWaalsContact CA-O 3.3Å; M513-N527 WeakPolarHBondContact CA-O 3.31Å; M513-Q528 HydrophobicContact CB-CB 4.38Å; M513-Q528 HydrophobicContact CB-CG 4.27Å; M513-Q528 HydrophobicContact CE-CB 4.29Å; M513-Q528 HydrophobicContact CE-CG 4.18Å; M513-Q528 HydrophobicContact CG-CB 4.36Å; M513-F595 CarbonylContact O-C 3.5Å; M513-F595 WeakPolarHBondContact O-CA 3.33Å; M513-L596 HydrophobicContact CB-CB 4.26Å; M513-L596 PolarHBondContact N-O 2.91Å; M513-L596 PolarHBondContact O-N 2.73Å; M513-L596 HydrophobicContact SD-CB 4.45Å; M513-L596 HydrophobicContact SD-CD1 3.96Å
514	L	98.6	Very high	97.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.4	164.4	174.9	60.1	0	0	0	107.9	L486 N527 Y576 L577 F587 A593 F595	L486-L514 HydrophobicContact CD1-CD2 4.26Å; L514-N527 HydrophobicContact CB-CB 4.47Å; L514-N527 PolarHBondContact N-O 3.08Å; L514-N527 PolarHBondContact O-N 2.81Å; L514-Y576 HydrophobicContact CB-CE1 3.95Å; L514-Y576 PolarHBondContact N-OH 2.9Å; L514-L577 HydrophobicContact CD2-CD2 3.78Å; L514-F587 HydrophobicContact CD2-CB 4.36Å; L514-F587 HydrophobicContact CD2-CD1 4.03Å; L514-F587 HydrophobicContact CD2-CG 4.29Å; L514-F587 HydrophobicContact CG-CB 4.48Å; L514-F587 HydrophobicContact CG-CD1 3.71Å; L514-F587 HydrophobicContact CG-CE1 4.3Å; L514-F587 HydrophobicContact CG-CG 4.38Å; L514-F587 WeakPolarHBondContact O-CE1 3.27Å; L514-A593 HydrophobicContact CD1-CB 4.03Å; L514-F595 HydrophobicContact CB-CD1 4.08Å; L514-F595 HydrophobicContact CB-CE1 3.88Å; L514-F595 HydrophobicContact CD1-CD1 4.19Å; L514-F595 HydrophobicContact CD1-CE1 3.78Å; L514-F595 HydrophobicContact CD1-CE2 4.34Å; L514-F595 HydrophobicContact CD1-CZ 3.85Å; L514-F595 HydrophobicContact CG-CE1 4.26Å
515	M	98.3	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.			trans	-74.7	126.2	-174	177.8	173.5	163.6	0	0	111.1	F350 L393 Q517 I594 L596	F350-M515 HydrophobicContact CE2-CE 4.32Å; F350-M515 HydrophobicContact CZ-CE 4.29Å; L393-M515 HydrophobicContact CD2-CE 4.16Å; L393-M515 HydrophobicContact CD2-SD 3.64Å; M515-Q517 HydrophobicContact CE-CG 4.43Å; M515-Q517 HydrophobicContact CG-CG 4.2Å; M515-Q517 PolarHBondContact O-N 3.39Å; M515-I594 HydrophobicContact CB-CB 4.43Å; M515-I594 WeakPolarHBondContact CB-O 3.2Å; M515-I594 PolarHBondContact N-O 3.35Å; M515-I594 HydrophobicContact SD-CG2 4.33Å; M515-L596 HydrophobicContact CB-CD1 4.13Å; M515-L596 HydrophobicContact CB-CG 4.19Å; M515-L596 HydrophobicContact CG-CD1 4.25Å; M515-L596 HydrophobicContact SD-CD1 3.88Å; M515-L596 HydrophobicContact SD-CD2 4.34Å; M515-L596 HydrophobicContact SD-CG 4.3Å
516	D	98.4	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.			trans	-73.1	111.1	159.3	-179.6	12.8	0	0	0	107.6	H518 R524 M525 S526 R585 D586 F587	D516-H518 PolarHBondContact O-N 3.36Å; D516-R524 HydrophobicContact CB-CB 4.17Å; D516-R524 WeakPolarHBondContact O-CD 3.35Å; D516-R524 WeakPolarHBondContact O-CG 3.48Å; D516-R524 PolarHBondContact O-NE 2.96Å; D516-R524 WeakPolarHBondContact OD2-CA 3.36Å; D516-M525 PolarHBondContact OD2-N 3.11Å; D516-S526 PolarHBondContact N-OG 3.2Å; D516-R585 IonicContact OD2-CZ 3.27Å; D516-R585 IonicContact OD2-NE 2.69Å; D516-R585 PolarHBondContact OD2-NE 3.05Å; D516-R585 IonicContact OD2-NH2 3.1Å; D516-R585 PolarHBondContact OD2-NH2 2.95Å; D516-D586 WeakPolarHBondContact OD1-CB 3.35Å; D516-D586 PolarHBondContact OD1-N 3.25Å; D516-D586 VanDerWaalsContact OD1-N 3.1Å; D516-F587 HydrophobicContact CB-CD1 4.14Å; D516-F587 HydrophobicContact CB-CE1 3.9Å; D516-F587 HydrophobicContact CB-CZ 4.38Å
517	Q	97.7	Very high	97.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.086	C	C	.	.			trans	-82.3	31.4	-170.6	-57.1	166.2	85.3	0	0	112.4	Y305 M515 D586 F587 K589 D592 I594	Y305-Q517 PolarHBondContact OH-OE1 2.87Å; M515-Q517 HydrophobicContact CE-CG 4.43Å; M515-Q517 HydrophobicContact CG-CG 4.2Å; M515-Q517 PolarHBondContact O-N 3.39Å; Q517-D586 HydrophobicContact CB-CB 4.26Å; Q517-D586 WeakPolarHBondContact CB-O 3.26Å; Q517-D586 WeakPolarHBondContact CG-O 3.35Å; Q517-D586 PolarHBondContact N-O 3.45Å; Q517-D586 PolarHBondContact NE2-O 2.65Å; Q517-F587 PolarHBondContact NE2-O 2.82Å; Q517-K589 HydrophobicContact CB-CB 4.04Å; Q517-K589 HydrophobicContact CB-CD 3.72Å; Q517-K589 HydrophobicContact CG-CB 4.45Å; Q517-K589 WeakPolarHBondContact O-CD 3.23Å; Q517-K589 PolarHBondContact O-NZ 3.22Å; Q517-K589 VanDerWaalsContact O-NZ 3.08Å; Q517-D592 PolarHBondContact NE2-O 2.7Å; Q517-I594 HydrophobicContact CG-CD1 4.44Å; Q517-I594 VanDerWaalsContact OE1-CD1 3.24Å
518	H	97.4	Very high	97.8	Very high	41 Å²	41	16.5 Å²	16.5	19%	0.19	8%	0.079	C	C	.	.			trans	-62.9	137.1	176.7	-174.6	-71.8	0	0	0	110.3	D516 H520 K523 R524	D516-H518 PolarHBondContact O-N 3.36Å; H518-H520 VanDerWaalsContact C-N 3.34Å; H518-H520 PolarHBondContact ND1-N 2.71Å; H518-H520 PolarHBondContact ND1-O 3.35Å; H518-H520 PolarHBondContact O-N 3.26Å; H518-K523 VanDerWaalsContact CE1-CD 3.46Å; H518-K523 WeakPolarHBondContact CE1-CD 3.1Å; H518-R524 HydrophobicContact CB-CG 3.96Å; H518-R524 PolarHBondContact O-NE 2.87Å; H518-R524 PolarHBondContact O-NH2 2.95Å
519	P	97.1	Very high	97.8	Very high	15 Å²	15	17.4 Å²	17.4	10%	0.097	8%	0.082	C	C	.	.	S	Bend	trans	-48.3	-49.5	-179.6	-36.6	40.6	0	0	0	114.7	D272 D426 N428	D272-P519 HydrophobicContact CB-CB 4.14Å; D426-P519 WeakPolarHBondContact OD1-CA 3.36Å; D426-P519 WeakPolarHBondContact OD1-CB 3.1Å; N428-P519 PolarHBondContact ND2-O 2.96Å; N428-P519 PolarHBondContact OD1-O 3.2Å
520	H	97.6	Very high	97.7	Very high	49 Å²	49	17.8 Å²	17.8	23%	0.227	9%	0.085	C	C	.	.	S	Bend	trans	-90.1	117.4	-179.2	-163.1	-65.1	0	0	0	112.3	F267 S270 H518 Q522 K523	F267-H520 AromaticContact CE2-CE1 3.85Å; F267-H520 AromaticContact CZ-CE1 3.68Å; F267-H520 AromaticContact CZ-NE2 3.69Å; S270-H520 WeakPolarHBondContact OG-CA 3.26Å; S270-H520 PolarHBondContact OG-CD2 3.19Å; H518-H520 VanDerWaalsContact C-N 3.34Å; H518-H520 PolarHBondContact ND1-N 2.71Å; H518-H520 PolarHBondContact ND1-O 3.35Å; H518-H520 PolarHBondContact O-N 3.26Å; H520-Q522 VanDerWaalsContact C-N 3.32Å; H520-Q522 PolarHBondContact CE1-OE1 2.98Å; H520-Q522 PolarHBondContact ND1-N 3.01Å; H520-Q522 PolarHBondContact O-N 3.48Å; H520-K523 HydrophobicContact CB-CB 4.45Å; H520-K523 HydrophobicContact CB-CD 4.32Å; H520-K523 HydrophobicContact CB-CG 4.33Å; H520-K523 PolarHBondContact O-N 2.64Å
521	I	97.8	Very high	97.7	Very high	14 Å²	14	18 Å²	18	7%	0.072	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-55.7	-39.9	-175.3	-164.5	-176.8	0	0	0	113.7	L106 F267 Q348 N428 K523 R524	L106-I521 HydrophobicContact CD1-CD1 4.43Å; L106-I521 HydrophobicContact CD1-CG2 4.42Å; L106-I521 HydrophobicContact CD2-CD1 4.02Å; L106-I521 HydrophobicContact CD2-CG1 4.15Å; F267-I521 HydrophobicContact CD2-CG2 4.03Å; F267-I521 HydrophobicContact CE2-CG2 4.06Å; Q348-I521 VanDerWaalsContact NE2-CD1 3.26Å; N428-I521 HydrophobicContact CB-CB 4Å; N428-I521 HydrophobicContact CB-CG2 4.16Å; N428-I521 WeakPolarHBondContact OD1-CB 3.48Å; N428-I521 PolarHBondContact OD1-N 3.39Å; I521-K523 PolarHBondContact O-N 3.48Å; I521-K523 VanDerWaalsContact O-N 3.17Å; I521-R524 WeakPolarHBondContact O-CB 3.39Å; I521-R524 PolarHBondContact O-N 2.83Å
522	Q	97.3	Very high	97.7	Very high	35 Å²	35	18.3 Å²	18.3	16%	0.164	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-67.7	-13.1	179.4	-60.1	-174.4	-62.8	0	0	114.2	L106 K107 F267 H520	L106-Q522 PolarHBondContact O-NE2 2.85Å; K107-Q522 WeakPolarHBondContact CE-O 3.2Å; K107-Q522 HydrophobicContact CG-CB 4.37Å; F267-Q522 HydrophobicContact CB-CG 4.31Å; F267-Q522 HydrophobicContact CD2-CG 3.79Å; F267-Q522 HydrophobicContact CE2-CG 4.24Å; F267-Q522 HydrophobicContact CG-CG 3.97Å; H520-Q522 VanDerWaalsContact C-N 3.32Å; H520-Q522 PolarHBondContact CE1-OE1 2.98Å; H520-Q522 PolarHBondContact ND1-N 3.01Å; H520-Q522 PolarHBondContact O-N 3.48Å
523	K	97.4	Very high	97.7	Very high	91 Å²	91	18.3 Å²	18.3	40%	0.396	9%	0.088	S	C	.	.	G	3₁₀ helix	trans	-101.8	-2.4	178.8	-67.9	-171.9	171.9	-171.5	0	113.6	H518 H520 I521 R585	H518-K523 VanDerWaalsContact CE1-CD 3.46Å; H518-K523 WeakPolarHBondContact CE1-CD 3.1Å; H520-K523 HydrophobicContact CB-CB 4.45Å; H520-K523 HydrophobicContact CB-CD 4.32Å; H520-K523 HydrophobicContact CB-CG 4.33Å; H520-K523 PolarHBondContact O-N 2.64Å; I521-K523 PolarHBondContact O-N 3.48Å; I521-K523 VanDerWaalsContact O-N 3.17Å; K523-R585 PolarHBondContact O-NH2 3.47Å
524	R	97.9	Very high	97.7	Very high	12 Å²	12	19.3 Å²	19.3	5%	0.045	9%	0.094	C	C	.	.			trans	-67.1	138.8	174.4	-63.8	-178.1	-178.5	168.3	5.2	108.5	K107 D516 H518 I521	K107-R524 PolarHBondContact NZ-O 3.45Å; D516-R524 HydrophobicContact CB-CB 4.17Å; D516-R524 WeakPolarHBondContact O-CD 3.35Å; D516-R524 WeakPolarHBondContact O-CG 3.48Å; D516-R524 PolarHBondContact O-NE 2.96Å; D516-R524 WeakPolarHBondContact OD2-CA 3.36Å; H518-R524 HydrophobicContact CB-CG 3.96Å; H518-R524 PolarHBondContact O-NE 2.87Å; H518-R524 PolarHBondContact O-NH2 2.95Å; I521-R524 WeakPolarHBondContact O-CB 3.39Å; I521-R524 PolarHBondContact O-N 2.83Å
525	M	98.1	Very high	97.6	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.102	C	C	.	.			trans	-115.2	59.8	169.6	-64.8	-177.6	71.7	0	0	108.8	N212 Q243 E246 D516 R585 F587	N212-M525 WeakPolarHBondContact ND2-CE 3.28Å; N212-M525 PolarHBondContact ND2-SD 3.23Å; N212-M525 VanDerWaalsContact ND2-SD 3.37Å; Q243-M525 HydrophobicContact CG-CE 4.47Å; E246-M525 HydrophobicContact CB-CB 4.19Å; E246-M525 HydrophobicContact CB-CG 4.46Å; E246-M525 VanDerWaalsContact O-CE 3.27Å; E246-M525 WeakPolarHBondContact O-CE 3.28Å; E246-M525 WeakPolarHBondContact OE2-CA 3.08Å; D516-M525 PolarHBondContact OD2-N 3.11Å; M525-R585 VanDerWaalsContact SD-CZ 3.51Å; M525-R585 PolarHBondContact SD-NH1 3.22Å; M525-R585 VanDerWaalsContact SD-NH1 3.4Å; M525-F587 WeakPolarHBondContact O-CZ 3.12Å
526	S	98.3	Very high	97.5	Very high	13 Å²	13	25 Å²	25	9%	0.091	13%	0.13	C	C	.	.			trans	-67.4	140.9	-170.8	-60.8	0	0	0	0	111	E246 D516	E246-S526 PolarHBondContact OE2-N 2.66Å; E246-S526 VanDerWaalsContact OE2-N 3.1Å; D516-S526 PolarHBondContact N-OG 3.2Å
527	N	98.3	Very high	97.3	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.053	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.1	179.2	-172.8	73.9	0	0	0	109.9	M245 M513 L514 Y576 L577 F587	M245-N527 HydrophobicContact CG-CB 4.38Å; M513-N527 CarbonylContact C-O 3.59Å; M513-N527 VanDerWaalsContact CA-O 3.3Å; M513-N527 WeakPolarHBondContact CA-O 3.31Å; L514-N527 HydrophobicContact CB-CB 4.47Å; L514-N527 PolarHBondContact N-O 3.08Å; L514-N527 PolarHBondContact O-N 2.81Å; N527-Y576 WeakPolarHBondContact ND2-CE1 3.32Å; N527-Y576 PolarHBondContact ND2-O 2.78Å; N527-Y576 PolarHBondContact O-OH 2.92Å; N527-Y576 VanDerWaalsContact O-OH 3.11Å; N527-L577 HydrophobicContact CB-CD1 4.39Å; N527-L577 HydrophobicContact CB-CD2 4.12Å; N527-F587 HydrophobicContact CB-CE1 4.18Å; N527-F587 HydrophobicContact CB-CZ 4.22Å
528	Q	96.1	Very high	97.2	Very high	17 Å²	17	31.5 Å²	31.5	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138	-173.3	-174.4	-170.6	-58	0	0	112	I153 T511 M513 S530	I153-Q528 HydrophobicContact CG2-CB 4.15Å; T511-Q528 VanDerWaalsContact CG2-CD 3.46Å; T511-Q528 HydrophobicContact CG2-CG 3.44Å; T511-Q528 VanDerWaalsContact CG2-CG 3.44Å; M513-Q528 HydrophobicContact CB-CB 4.38Å; M513-Q528 HydrophobicContact CB-CG 4.27Å; M513-Q528 HydrophobicContact CE-CB 4.29Å; M513-Q528 HydrophobicContact CE-CG 4.18Å; M513-Q528 HydrophobicContact CG-CB 4.36Å; Q528-S530 PolarHBondContact NE2-OG 2.68Å
529	R	96.5	Very high	96.7	Very high	27 Å²	27	29.9 Å²	29.9	10%	0.102	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.1	162.8	-62.9	-68.2	-70.7	-96.1	1.1	110	D36 M512 T573 A575 Y576	D36-R529 VanDerWaalsContact CG-NH2 3.28Å; D36-R529 IonicContact OD1-NH2 2.82Å; D36-R529 PolarHBondContact OD1-NH2 3.15Å; D36-R529 IonicContact OD2-CZ 3.01Å; D36-R529 IonicContact OD2-NH1 2.74Å; D36-R529 PolarHBondContact OD2-NH1 3.04Å; D36-R529 IonicContact OD2-NH2 3.01Å; D36-R529 PolarHBondContact OD2-NH2 3.4Å; M512-R529 PolarHBondContact N-O 3.42Å; M512-R529 PolarHBondContact O-N 3.31Å; R529-T573 HydrophobicContact CG-CG2 4.13Å; R529-T573 PolarHBondContact NH1-OG1 2.81Å; R529-A575 PolarHBondContact NH1-O 2.93Å; R529-Y576 HydrophobicContact CB-CD2 4.13Å; R529-Y576 HydrophobicContact CB-CE2 3.88Å; R529-Y576 HydrophobicContact CG-CD2 3.52Å; R529-Y576 HydrophobicContact CG-CE2 3.6Å
530	S	97.6	Very high	96.1	Very high	10 Å²	10	34.1 Å²	34.1	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	176.8	-61.2	0	0	0	0	110	N92 M510 T511 Q528	N92-S530 PolarHBondContact ND2-O 3.01Å; N92-S530 PolarHBondContact OD1-O 3.2Å; M510-S530 CarbonylContact O-C 3.53Å; M510-S530 VanDerWaalsContact O-CA 3.25Å; M510-S530 WeakPolarHBondContact O-CA 3.36Å; T511-S530 WeakPolarHBondContact CG2-OG 3.44Å; T511-S530 PolarHBondContact OG1-OG 3.5Å; T511-S530 VanDerWaalsContact OG1-OG 3.04Å; Q528-S530 PolarHBondContact NE2-OG 2.68Å
531	V	97.3	Very high	95.4	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.4	176.1	-57	0	0	0	0	108.8	A490 Q509 M510 M512 F571	A490-V531 HydrophobicContact CB-CG2 3.81Å; Q509-V531 CarbonylContact C-O 3.47Å; Q509-V531 WeakPolarHBondContact CA-O 3.19Å; M510-V531 HydrophobicContact CB-CG2 4.03Å; M510-V531 HydrophobicContact CE-CG2 3.91Å; M510-V531 PolarHBondContact N-O 2.75Å; M510-V531 PolarHBondContact O-N 3.43Å; M512-V531 HydrophobicContact CE-CG1 4.32Å; V531-F571 HydrophobicContact CB-CD1 3.66Å; V531-F571 HydrophobicContact CB-CE1 4.1Å; V531-F571 HydrophobicContact CG1-CD1 3.65Å; V531-F571 HydrophobicContact CG1-CE1 4.11Å; V531-F571 HydrophobicContact CG2-CD1 4.38Å
532	T	98.3	Very high	94.9	Very high	12 Å²	12	41.1 Å²	41.1	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.6	-178.6	-62.2	0	0	0	0	110.9	I91 N92 W507 K508 Q509 D534 V602	I91-T532 HydrophobicContact CG2-CG2 4.14Å; N92-T532 WeakPolarHBondContact CA-OG1 3.48Å; N92-T532 PolarHBondContact OD1-OG1 2.98Å; W507-T532 HydrophobicContact CE3-CG2 3.92Å; K508-T532 WeakPolarHBondContact O-CA 3.42Å; Q509-T532 WeakPolarHBondContact CB-OG1 3.32Å; Q509-T532 WeakPolarHBondContact CG-OG1 3.39Å; Q509-T532 PolarHBondContact NE2-OG1 3.04Å; T532-D534 PolarHBondContact O-N 2.75Å; T532-V602 HydrophobicContact CG2-CG2 3.89Å
533	T	98.1	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.			trans	-73.7	107.3	177.7	66.3	0	0	0	0	110.9	L492 C505 W507 K508 M510 P535 W547	L492-T533 HydrophobicContact CD1-CG2 4.21Å; C505-T533 HydrophobicContact CB-CG2 4.35Å; C505-T533 VanDerWaalsContact O-CB 3.25Å; C505-T533 WeakPolarHBondContact O-CB 3.38Å; C505-T533 PolarHBondContact O-OG1 2.91Å; C505-T533 PolarHBondContact SG-OG1 3Å; W507-T533 VanDerWaalsContact CA-O 3.24Å; W507-T533 WeakPolarHBondContact CA-O 3.38Å; W507-T533 PolarHBondContact N-O 2.95Å; W507-T533 PolarHBondContact N-OG1 3.2Å; K508-T533 HydrophobicContact CB-CG2 4.3Å; K508-T533 PolarHBondContact N-OG1 2.97Å; K508-T533 PolarHBondContact O-N 3.14Å; M510-T533 HydrophobicContact CE-CG2 3.9Å; T533-P535 WeakPolarHBondContact O-CD 3.44Å; T533-W547 HydrophobicContact CG2-CD2 3.65Å; T533-W547 HydrophobicContact CG2-CE3 3.67Å; T533-W547 HydrophobicContact CG2-CG 4.15Å; T533-W547 HydrophobicContact CG2-CH2 4.2Å; T533-W547 HydrophobicContact CG2-CZ2 4.22Å; T533-W547 HydrophobicContact CG2-CZ3 3.96Å
534	D	97.1	Very high	94.1	Very high	51 Å²	51	45.4 Å²	45.4	27%	0.273	24%	0.244	S	C	.	.			trans	-87.1	111.2	171	-178.9	-15.7	0	0	0	109.1	W507 T532 T536 M537	W507-D534 HydrophobicContact CH2-CB 4.06Å; W507-D534 HydrophobicContact CZ3-CB 3.93Å; T532-D534 PolarHBondContact O-N 2.75Å; D534-T536 PolarHBondContact O-N 3.28Å; D534-T536 VanDerWaalsContact O-N 3.08Å; D534-T536 WeakPolarHBondContact OD1-CA 3.43Å; D534-T536 WeakPolarHBondContact OD1-CB 3.49Å; D534-T536 PolarHBondContact OD1-N 3.14Å; D534-T536 PolarHBondContact OD1-OG1 2.84Å; D534-T536 PolarHBondContact OD2-OG1 2.79Å; D534-M537 HydrophobicContact CB-CB 4.09Å; D534-M537 WeakPolarHBondContact O-CB 3.39Å; D534-M537 PolarHBondContact O-N 3.39Å; D534-M537 VanDerWaalsContact O-N 3.11Å
535	P	97	Very high	94	Very high	25 Å²	25	48.2 Å²	48.2	16%	0.162	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.3	-176.8	30	-35.8	0	0	0	113.4	P504 P506 W507 T533 F545	P504-P535 HydrophobicContact CB-CB 4.06Å; P504-P535 WeakPolarHBondContact CB-O 3.25Å; P506-P535 HydrophobicContact CB-CB 4.34Å; P506-P535 HydrophobicContact CB-CG 4.18Å; W507-P535 HydrophobicContact CZ2-CG 4.38Å; T533-P535 WeakPolarHBondContact O-CD 3.44Å; P535-F545 WeakPolarHBondContact O-CD1 3.4Å
536	T	96.1	Very high	93.9	Very high	96 Å²	96	48.3 Å²	48.3	59%	0.589	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.1	177.9	73.5	0	0	0	0	113.4	D534 K538	D534-T536 PolarHBondContact O-N 3.28Å; D534-T536 VanDerWaalsContact O-N 3.08Å; D534-T536 WeakPolarHBondContact OD1-CA 3.43Å; D534-T536 WeakPolarHBondContact OD1-CB 3.49Å; D534-T536 PolarHBondContact OD1-N 3.14Å; D534-T536 PolarHBondContact OD1-OG1 2.84Å; D534-T536 PolarHBondContact OD2-OG1 2.79Å; T536-K538 PolarHBondContact O-N 2.84Å
537	M	95.3	Very high	93.9	Very high	38 Å²	38	47.9 Å²	47.9	19%	0.187	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-67.3	119	-179.4	-175.2	-174.6	179.2	0	0	111	F33 D534 F545 F546 F571	F33-M537 HydrophobicContact CD1-CE 4.45Å; F33-M537 HydrophobicContact CD2-CE 3.92Å; F33-M537 HydrophobicContact CE2-CE 4.08Å; F33-M537 HydrophobicContact CG-CE 4.11Å; F33-M537 HydrophobicContact CZ-CE 4.41Å; D534-M537 HydrophobicContact CB-CB 4.09Å; D534-M537 WeakPolarHBondContact O-CB 3.39Å; D534-M537 PolarHBondContact O-N 3.39Å; D534-M537 VanDerWaalsContact O-N 3.11Å; M537-F545 WeakPolarHBondContact O-CA 3.46Å; M537-F546 HydrophobicContact CE-CB 4.43Å; M537-F546 HydrophobicContact CE-CD2 4.22Å; M537-F546 HydrophobicContact CE-CG 4.23Å; M537-F546 HydrophobicContact CG-CB 4.08Å; M537-F546 PolarHBondContact O-N 3.2Å; M537-F546 HydrophobicContact SD-CB 4.02Å; M537-F546 HydrophobicContact SD-CD1 4.34Å; M537-F546 HydrophobicContact SD-CG 4.1Å; M537-F571 HydrophobicContact CE-CD2 4.3Å; M537-F571 HydrophobicContact CE-CE2 3.73Å; M537-F571 HydrophobicContact SD-CD2 4.29Å; M537-F571 HydrophobicContact SD-CE2 3.74Å
538	K	93.8	Very high	93.8	Very high	99 Å²	99	48.4 Å²	48.4	43%	0.43	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-89.1	149.5	168.9	-66	-171.7	178.1	-172.9	0	110.6	T536 E543 L544 F545	T536-K538 PolarHBondContact O-N 2.84Å; K538-E543 IonicContact NZ-OE1 3.6Å; K538-E543 IonicContact NZ-OE2 2.77Å; K538-E543 PolarHBondContact NZ-OE2 3.38Å; K538-L544 WeakPolarHBondContact CA-O 3.49Å; K538-F545 HydrophobicContact CG-CD1 4.3Å; K538-F545 HydrophobicContact CG-CE1 4.32Å
539	A	88.6	Confident	93.8	Very high	8 Å²	8	48.2 Å²	48.2	7%	0.066	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-68.5	147.2	168.4	0	0	0	0	0	111.1	I30 D541 S542 L544	I30-A539 HydrophobicContact CB-CB 4.36Å; I30-A539 HydrophobicContact CD1-CB 3.75Å; I30-A539 HydrophobicContact CG1-CB 3.88Å; I30-A539 HydrophobicContact CG2-CB 3.57Å; A539-D541 PolarHBondContact O-N 3.02Å; A539-S542 PolarHBondContact O-N 3.06Å; A539-S542 VanDerWaalsContact O-N 3.1Å; A539-L544 PolarHBondContact N-O 3.32Å
540	T	83.9	Confident	93.8	Very high	104 Å²	104	46.9 Å²	46.9	64%	0.638	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.2	178.2	-48.7	0	0	0	0	110.6	S542	T540-S542 PolarHBondContact O-N 3.08Å; T540-S542 VanDerWaalsContact O-N 3.16Å
541	D	83.8	Confident	93.7	Very high	170 Å²	170	50 Å²	50	91%	0.909	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	27.5	-179.3	-54.9	-40.2	0	0	0	114.8	A539	A539-D541 PolarHBondContact O-N 3.02Å
542	S	85.3	Confident	93.5	Very high	39 Å²	39	55.9 Å²	55.9	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	-139.3	151.4	-178	-175.6	0	0	0	0	113	A539 T540 L544	A539-S542 PolarHBondContact O-N 3.06Å; A539-S542 VanDerWaalsContact O-N 3.1Å; T540-S542 PolarHBondContact O-N 3.08Å; T540-S542 VanDerWaalsContact O-N 3.16Å; S542-L544 VanDerWaalsContact C-N 3.29Å; S542-L544 WeakPolarHBondContact OG-CB 3.25Å; S542-L544 WeakPolarHBondContact OG-CG 3.44Å; S542-L544 PolarHBondContact OG-N 2.71Å; S542-L544 VanDerWaalsContact OG-N 3.14Å
543	E	88.1	Confident	93.2	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	29%	0.285	S	S	*	.	S	Bend	trans	-84.3	-5.2	170.5	-68.1	-59.6	141.8	0	0	112.8	K538	K538-E543 IonicContact NZ-OE1 3.6Å; K538-E543 IonicContact NZ-OE2 2.77Å; K538-E543 PolarHBondContact NZ-OE2 3.38Å
544	L	91.8	Very high	93	Very high	68 Å²	68	56.7 Å²	56.7	36%	0.356	30%	0.296	S	S	.	.	S	Bend	trans	-76	138.4	178.4	-60.5	174.4	0	0	0	110.8	I30 K538 A539 S542 V553	I30-L544 HydrophobicContact CD1-CB 3.98Å; I30-L544 HydrophobicContact CD1-CD1 4.29Å; K538-L544 WeakPolarHBondContact CA-O 3.49Å; A539-L544 PolarHBondContact N-O 3.32Å; S542-L544 VanDerWaalsContact C-N 3.29Å; S542-L544 WeakPolarHBondContact OG-CB 3.25Å; S542-L544 WeakPolarHBondContact OG-CG 3.44Å; S542-L544 PolarHBondContact OG-N 2.71Å; S542-L544 VanDerWaalsContact OG-N 3.14Å; L544-V553 HydrophobicContact CB-CG1 4.28Å; L544-V553 HydrophobicContact CD1-CG1 4.42Å
545	F	95.8	Very high	92.8	Very high	71 Å²	71	57.2 Å²	57.2	31%	0.311	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-74.4	132.7	170.5	-65.4	-76.7	0	0	0	110	P504 P535 M537 K538 W547 D548	P504-F545 HydrophobicContact CB-CB 4.07Å; P504-F545 HydrophobicContact CB-CG 4.4Å; P504-F545 HydrophobicContact CG-CB 3.51Å; P504-F545 HydrophobicContact CG-CD1 4.07Å; P504-F545 HydrophobicContact CG-CD2 3.6Å; P504-F545 HydrophobicContact CG-CE2 4.31Å; P504-F545 HydrophobicContact CG-CG 3.45Å; P504-F545 VanDerWaalsContact CG-CG 3.45Å; P535-F545 WeakPolarHBondContact O-CD1 3.4Å; M537-F545 WeakPolarHBondContact O-CA 3.46Å; K538-F545 HydrophobicContact CG-CD1 4.3Å; K538-F545 HydrophobicContact CG-CE1 4.32Å; F545-W547 VanDerWaalsContact C-N 3.27Å; F545-W547 PolarHBondContact O-N 3.23Å; F545-D548 HydrophobicContact CB-CB 4.12Å; F545-D548 WeakPolarHBondContact O-CB 3.47Å; F545-D548 PolarHBondContact O-N 2.97Å
546	F	95.8	Very high	92.7	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.6	-177.8	-173.3	-82.6	0	0	0	111.3	I30 F33 M537 P569 G570 F571	I30-F546 HydrophobicContact CG2-CD2 3.76Å; I30-F546 HydrophobicContact CG2-CE2 3.9Å; F33-F546 HydrophobicContact CB-CE2 3.8Å; F33-F546 HydrophobicContact CB-CZ 3.88Å; M537-F546 HydrophobicContact CE-CB 4.43Å; M537-F546 HydrophobicContact CE-CD2 4.22Å; M537-F546 HydrophobicContact CE-CG 4.23Å; M537-F546 HydrophobicContact CG-CB 4.08Å; M537-F546 PolarHBondContact O-N 3.2Å; M537-F546 HydrophobicContact SD-CB 4.02Å; M537-F546 HydrophobicContact SD-CD1 4.34Å; M537-F546 HydrophobicContact SD-CG 4.1Å; F546-P569 HydrophobicContact CD1-CG 3.93Å; F546-P569 HydrophobicContact CD2-CB 4.28Å; F546-P569 HydrophobicContact CD2-CG 3.96Å; F546-P569 HydrophobicContact CE1-CB 4.09Å; F546-P569 HydrophobicContact CE1-CG 3.72Å; F546-P569 HydrophobicContact CE2-CB 3.63Å; F546-P569 HydrophobicContact CE2-CG 3.78Å; F546-P569 HydrophobicContact CG-CG 4.04Å; F546-P569 HydrophobicContact CZ-CB 3.53Å; F546-P569 HydrophobicContact CZ-CG 3.65Å; F546-P569 VanDerWaalsContact O-CG 3.23Å; F546-P569 WeakPolarHBondContact O-CG 3.22Å; F546-G570 WeakPolarHBondContact CZ-O 3.42Å; F546-F571 HydrophobicContact CD1-CD2 4.38Å; F546-F571 HydrophobicContact CE1-CB 3.87Å; F546-F571 AromaticContact CE1-CD2 3.83Å; F546-F571 HydrophobicContact CE1-CD2 3.83Å; F546-F571 HydrophobicContact CE1-CG 4.33Å; F546-F571 HydrophobicContact CZ-CB 4.15Å; F546-F571 HydrophobicContact CZ-CD2 4.02Å
547	W	97	Very high	92.6	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.015	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	25.4	-180	-59.5	109.7	0	0	0	113.6	L492 P504 C505 M510 T533 F545 F571	L492-W547 HydrophobicContact CD1-CB 4.45Å; L492-W547 HydrophobicContact CD1-CD2 4.47Å; L492-W547 HydrophobicContact CD1-CE3 3.56Å; L492-W547 HydrophobicContact CD1-CZ3 4.2Å; L492-W547 HydrophobicContact CG-CE3 3.79Å; L492-W547 HydrophobicContact CG-CZ3 3.91Å; P504-W547 CarbonylContact C-O 3.56Å; P504-W547 VanDerWaalsContact CA-O 3.29Å; P504-W547 WeakPolarHBondContact CA-O 3.37Å; C505-W547 HydrophobicContact CB-CB 4.35Å; C505-W547 PolarHBondContact N-O 3.09Å; M510-W547 HydrophobicContact CE-CH2 3.58Å; M510-W547 HydrophobicContact CE-CZ3 3.73Å; T533-W547 HydrophobicContact CG2-CD2 3.65Å; T533-W547 HydrophobicContact CG2-CE3 3.67Å; T533-W547 HydrophobicContact CG2-CG 4.15Å; T533-W547 HydrophobicContact CG2-CH2 4.2Å; T533-W547 HydrophobicContact CG2-CZ2 4.22Å; T533-W547 HydrophobicContact CG2-CZ3 3.96Å; F545-W547 VanDerWaalsContact C-N 3.27Å; F545-W547 PolarHBondContact O-N 3.23Å; W547-F571 HydrophobicContact CH2-CB 3.39Å; W547-F571 HydrophobicContact CH2-CG 4.12Å; W547-F571 HydrophobicContact CZ2-CB 3.39Å; W547-F571 HydrophobicContact CZ2-CD1 4.16Å; W547-F571 AromaticContact CZ2-CD2 3.88Å; W547-F571 HydrophobicContact CZ2-CD2 3.88Å; W547-F571 AromaticContact CZ2-CG 3.58Å; W547-F571 HydrophobicContact CZ2-CG 3.58Å
548	D	96.6	Very high	92.5	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.112	31%	0.309	C	S	.	.	S	Bend	trans	-69.1	175	170.4	-152.9	-20.3	0	0	0	110.9	W503 F545 P550 K552 V553	W503-D548 WeakPolarHBondContact CZ3-O 3.45Å; F545-D548 HydrophobicContact CB-CB 4.12Å; F545-D548 WeakPolarHBondContact O-CB 3.47Å; F545-D548 PolarHBondContact O-N 2.97Å; D548-P550 WeakPolarHBondContact O-CD 3.29Å; D548-K552 IonicContact OD1-NZ 3.9Å; D548-K552 PolarHBondContact OD1-NZ 3.04Å; D548-K552 VanDerWaalsContact OD1-NZ 3.08Å; D548-K552 IonicContact OD2-NZ 3.34Å; D548-V553 HydrophobicContact CB-CG1 3.84Å; D548-V553 HydrophobicContact CB-CG2 4.19Å
549	D	96.3	Very high	92.1	Very high	13 Å²	13	57.2 Å²	57.2	7%	0.07	30%	0.302	C	S	.	.			trans	-51.2	119.9	177.1	-169.3	-30.8	0	0	0	111.2	W503 R551 K552 V553	W503-D549 HydrophobicContact CB-CB 4.27Å; W503-D549 VanDerWaalsContact CD2-CA 3.49Å; W503-D549 HydrophobicContact CD2-CB 3.87Å; W503-D549 HydrophobicContact CE3-CB 4.42Å; W503-D549 VanDerWaalsContact CE3-N 3.3Å; W503-D549 HydrophobicContact CG-CB 3.75Å; D549-R551 PolarHBondContact O-N 3.32Å; D549-R551 VanDerWaalsContact OD1-CB 3.32Å; D549-R551 WeakPolarHBondContact OD1-CB 3.33Å; D549-R551 WeakPolarHBondContact OD1-CG 3.41Å; D549-R551 IonicContact OD1-CZ 2.92Å; D549-R551 PolarHBondContact OD1-N 2.89Å; D549-R551 IonicContact OD1-NE 2.87Å; D549-R551 PolarHBondContact OD1-NE 2.86Å; D549-R551 IonicContact OD1-NH2 2.86Å; D549-R551 IonicContact OD2-CZ 3.04Å; D549-R551 VanDerWaalsContact OD2-CZ 3.26Å; D549-R551 IonicContact OD2-NE 3.64Å; D549-R551 PolarHBondContact OD2-NE 2.67Å; D549-R551 IonicContact OD2-NH2 3.7Å; D549-R551 PolarHBondContact OD2-NH2 2.9Å; D549-K552 HydrophobicContact CB-CD 4.2Å; D549-K552 HydrophobicContact CB-CG 4.2Å; D549-K552 WeakPolarHBondContact O-CA 3.37Å; D549-K552 WeakPolarHBondContact O-CB 3.36Å; D549-K552 PolarHBondContact O-N 2.8Å; D549-V553 PolarHBondContact O-N 3.23Å
550	P	96.7	Very high	91.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-52.2	-26.5	178	-30.9	36	0	0	0	114.2	L492 A494 W503 D548 K552 G554 F566	L492-P550 HydrophobicContact CB-CG 3.91Å; L492-P550 WeakPolarHBondContact O-CG 3.46Å; A494-P550 HydrophobicContact CB-CB 3.94Å; A494-P550 HydrophobicContact CB-CG 3.95Å; W503-P550 HydrophobicContact CH2-CG 4.1Å; D548-P550 WeakPolarHBondContact O-CD 3.29Å; P550-K552 PolarHBondContact O-N 2.85Å; P550-G554 WeakPolarHBondContact O-CA 3.43Å; P550-G554 PolarHBondContact O-N 3.22Å; P550-F566 HydrophobicContact CB-CB 3.94Å; P550-F566 WeakPolarHBondContact CB-O 3.1Å; P550-F566 WeakPolarHBondContact O-CB 3.19Å
551	R	94.9	Very high	92	Very high	75 Å²	75	64.7 Å²	64.7	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-25.8	173.9	-67.2	170.8	-71	-157.8	-2.2	113.2	A494 R495 E496 D498 D549 F566	A494-R551 HydrophobicContact CB-CG 4.16Å; R495-R551 PolarHBondContact O-NH1 2.86Å; E496-R551 PolarHBondContact O-NH1 2.85Å; D498-R551 PolarHBondContact O-NH1 2.79Å; D498-R551 PolarHBondContact O-NH2 2.81Å; D549-R551 PolarHBondContact O-N 3.32Å; D549-R551 VanDerWaalsContact OD1-CB 3.32Å; D549-R551 WeakPolarHBondContact OD1-CB 3.33Å; D549-R551 WeakPolarHBondContact OD1-CG 3.41Å; D549-R551 IonicContact OD1-CZ 2.92Å; D549-R551 PolarHBondContact OD1-N 2.89Å; D549-R551 IonicContact OD1-NE 2.87Å; D549-R551 PolarHBondContact OD1-NE 2.86Å; D549-R551 IonicContact OD1-NH2 2.86Å; D549-R551 IonicContact OD2-CZ 3.04Å; D549-R551 VanDerWaalsContact OD2-CZ 3.26Å; D549-R551 IonicContact OD2-NE 3.64Å; D549-R551 PolarHBondContact OD2-NE 2.67Å; D549-R551 IonicContact OD2-NH2 3.7Å; D549-R551 PolarHBondContact OD2-NH2 2.9Å; R551-F566 HydrophobicContact CB-CD2 4.32Å; R551-F566 HydrophobicContact CB-CG 4.36Å; R551-F566 HydrophobicContact CG-CB 4.31Å; R551-F566 HydrophobicContact CG-CD2 3.51Å; R551-F566 HydrophobicContact CG-CE2 3.92Å; R551-F566 HydrophobicContact CG-CG 3.93Å
552	K	93	Very high	92.2	Very high	127 Å²	127	58.8 Å²	58.8	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-94.7	-42.9	179.1	-60.4	178.1	-166.2	159.5	0	112.8	D548 D549 P550	D548-K552 IonicContact OD1-NZ 3.9Å; D548-K552 PolarHBondContact OD1-NZ 3.04Å; D548-K552 VanDerWaalsContact OD1-NZ 3.08Å; D548-K552 IonicContact OD2-NZ 3.34Å; D549-K552 HydrophobicContact CB-CD 4.2Å; D549-K552 HydrophobicContact CB-CG 4.2Å; D549-K552 WeakPolarHBondContact O-CA 3.37Å; D549-K552 WeakPolarHBondContact O-CB 3.36Å; D549-K552 PolarHBondContact O-N 2.8Å; P550-K552 PolarHBondContact O-N 2.85Å
553	V	93.6	Very high	92.3	Very high	9 Å²	9	59.4 Å²	59.4	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-110.5	-10.4	-168.6	-61.9	0	0	0	0	114.2	I30 L544 D548 D549	I30-V553 HydrophobicContact CD1-CB 3.82Å; I30-V553 HydrophobicContact CD1-CG1 4.08Å; L544-V553 HydrophobicContact CB-CG1 4.28Å; L544-V553 HydrophobicContact CD1-CG1 4.42Å; D548-V553 HydrophobicContact CB-CG1 3.84Å; D548-V553 HydrophobicContact CB-CG2 4.19Å; D549-V553 PolarHBondContact O-N 3.23Å
554	G	93.1	Very high	92.6	Very high	21 Å²	21	59.9 Å²	59.9	22%	0.216	32%	0.322	C	S	.	.	S	Bend	trans	-96.6	-171.9	-174.4	0	0	0	0	0	114.8	P550 R567	P550-G554 WeakPolarHBondContact O-CA 3.43Å; P550-G554 PolarHBondContact O-N 3.22Å; G554-R567 CarbonylContact C-O 3.56Å; G554-R567 WeakPolarHBondContact CA-O 3.13Å
555	T	93.4	Very high	92.8	Very high	61 Å²	61	57.1 Å²	57.1	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.5	174.8	-59.6	0	0	0	0	109.9	F566 R567	T555-F566 WeakPolarHBondContact O-CA 3.37Å; T555-R567 PolarHBondContact N-O 2.76Å; T555-R567 PolarHBondContact O-N 2.94Å
556	E	94.9	Very high	92.8	Very high	99 Å²	99	55.6 Å²	55.6	46%	0.463	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.4	171.6	-169.4	-174.2	-141.9	0	0	109.9	R564 F566	E556-R564 IonicContact OE1-NH1 3.6Å; E556-F566 HydrophobicContact CB-CD1 4.08Å; E556-F566 HydrophobicContact CB-CE1 3.9Å; E556-F566 HydrophobicContact CG-CE1 4.2Å; E556-F566 HydrophobicContact CG-CZ 4.39Å
557	V	94.4	Very high	92.9	Very high	26 Å²	26	57.1 Å²	57.1	16%	0.158	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.7	178.2	-178.1	0	0	0	0	108.1	R564 Y565 R567	V557-R564 WeakPolarHBondContact O-CA 3.38Å; V557-Y565 HydrophobicContact CB-CD2 4.07Å; V557-Y565 HydrophobicContact CB-CE1 4.29Å; V557-Y565 HydrophobicContact CB-CE2 3.69Å; V557-Y565 HydrophobicContact CG1-CE1 4.07Å; V557-Y565 HydrophobicContact CG1-CE2 3.96Å; V557-Y565 HydrophobicContact CG2-CE2 4.06Å; V557-Y565 PolarHBondContact N-O 2.79Å; V557-Y565 PolarHBondContact O-N 2.83Å; V557-R567 HydrophobicContact CG2-CB 4.07Å
558	T	92.8	Very high	92.9	Very high	81 Å²	81	57.2 Å²	57.2	50%	0.497	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.5	169.5	-56.2	0	0	0	0	108.2	S563 R564	T558-S563 CarbonylContact C-O 3.51Å; T558-S563 WeakPolarHBondContact CA-O 3.48Å; T558-R564 HydrophobicContact CG2-CG 4.41Å
559	D	84.2	Confident	92.8	Very high	52 Å²	52	56.5 Å²	56.5	28%	0.278	30%	0.304	S	S	.	.			trans	-76	167.6	177	-147.6	-38.6	0	0	0	110.9	D561 G562 S563 Y565	D559-D561 PolarHBondContact O-N 2.93Å; D559-G562 WeakPolarHBondContact O-CA 3.23Å; D559-G562 PolarHBondContact O-N 2.8Å; D559-S563 WeakPolarHBondContact CB-OG 3.43Å; D559-S563 PolarHBondContact N-O 2.78Å; D559-Y565 HydrophobicContact CB-CE1 4.15Å
560	T	84.4	Confident	92.9	Very high	146 Å²	146	55.9 Å²	55.9	90%	0.896	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.2	179.2	54	0	0	0	0	113.7	G562	T560-G562 VanDerWaalsContact C-N 3.27Å
561	D	86.4	Confident	92.9	Very high	123 Å²	123	57.2 Å²	57.2	66%	0.658	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.9	174.6	70.7	-2.6	0	0	0	113.5	D559 S563	D559-D561 PolarHBondContact O-N 2.93Å; D561-S563 VanDerWaalsContact C-N 3.32Å; D561-S563 WeakPolarHBondContact OD1-CB 3.41Å; D561-S563 PolarHBondContact OD1-N 2.85Å; D561-S563 PolarHBondContact OD1-OG 2.92Å
562	G	87.8	Confident	93	Very high	47 Å²	47	53.7 Å²	53.7	49%	0.485	29%	0.294	S	S	.	.	S	Bend	trans	85.1	-2	-177.5	0	0	0	0	0	114.6	D559 T560	D559-G562 WeakPolarHBondContact O-CA 3.23Å; D559-G562 PolarHBondContact O-N 2.8Å; T560-G562 VanDerWaalsContact C-N 3.27Å
563	S	88.4	Confident	93.1	Very high	52 Å²	52	47.7 Å²	47.7	36%	0.364	27%	0.268	S	S	.	.			trans	-65.2	149.4	172.8	69	0	0	0	0	110.9	T558 D559 D561	T558-S563 CarbonylContact C-O 3.51Å; T558-S563 WeakPolarHBondContact CA-O 3.48Å; D559-S563 WeakPolarHBondContact CB-OG 3.43Å; D559-S563 PolarHBondContact N-O 2.78Å; D561-S563 VanDerWaalsContact C-N 3.32Å; D561-S563 WeakPolarHBondContact OD1-CB 3.41Å; D561-S563 PolarHBondContact OD1-N 2.85Å; D561-S563 PolarHBondContact OD1-OG 2.92Å
564	R	93.7	Very high	93.1	Very high	158 Å²	158	47.3 Å²	47.3	60%	0.596	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.3	-179	-61.5	-173	-174.9	-171.4	1.7	111	E556 V557 T558	E556-R564 IonicContact OE1-NH1 3.6Å; V557-R564 WeakPolarHBondContact O-CA 3.38Å; T558-R564 HydrophobicContact CG2-CG 4.41Å
565	Y	95.5	Very high	93.1	Very high	10 Å²	10	46.7 Å²	46.7	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	166.1	174.6	60.5	-93	0	0	0	110.3	Q471 V493 V557 D559 R567	Q471-Y565 PolarHBondContact NE2-OH 2.88Å; V493-Y565 HydrophobicContact CG1-CD2 3.6Å; V493-Y565 HydrophobicContact CG1-CE2 4.31Å; V493-Y565 HydrophobicContact CG1-CG 4.04Å; V557-Y565 HydrophobicContact CB-CD2 4.07Å; V557-Y565 HydrophobicContact CB-CE1 4.29Å; V557-Y565 HydrophobicContact CB-CE2 3.69Å; V557-Y565 HydrophobicContact CG1-CE1 4.07Å; V557-Y565 HydrophobicContact CG1-CE2 3.96Å; V557-Y565 HydrophobicContact CG2-CE2 4.06Å; V557-Y565 PolarHBondContact N-O 2.79Å; V557-Y565 PolarHBondContact O-N 2.83Å; D559-Y565 HydrophobicContact CB-CE1 4.15Å; Y565-R567 HydrophobicContact CE2-CB 4.46Å; Y565-R567 PolarHBondContact OH-NH2 3.09Å; Y565-R567 VanDerWaalsContact OH-NH2 3.13Å
566	F	96.6	Very high	93.2	Very high	38 Å²	38	44.1 Å²	44.1	17%	0.167	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.5	175.4	-61.9	-97.2	0	0	0	109.3	V493 A494 E496 P550 R551 T555 E556	V493-F566 WeakPolarHBondContact CA-O 3.49Å; A494-F566 PolarHBondContact N-O 2.89Å; A494-F566 PolarHBondContact O-N 3.24Å; E496-F566 WeakPolarHBondContact OE2-CE2 3.49Å; P550-F566 HydrophobicContact CB-CB 3.94Å; P550-F566 WeakPolarHBondContact CB-O 3.1Å; P550-F566 WeakPolarHBondContact O-CB 3.19Å; R551-F566 HydrophobicContact CB-CD2 4.32Å; R551-F566 HydrophobicContact CB-CG 4.36Å; R551-F566 HydrophobicContact CG-CB 4.31Å; R551-F566 HydrophobicContact CG-CD2 3.51Å; R551-F566 HydrophobicContact CG-CE2 3.92Å; R551-F566 HydrophobicContact CG-CG 3.93Å; T555-F566 WeakPolarHBondContact O-CA 3.37Å; E556-F566 HydrophobicContact CB-CD1 4.08Å; E556-F566 HydrophobicContact CB-CE1 3.9Å; E556-F566 HydrophobicContact CG-CE1 4.2Å; E556-F566 HydrophobicContact CG-CZ 4.39Å
567	R	96.9	Very high	93.3	Very high	36 Å²	36	39.7 Å²	39.7	14%	0.136	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.9	176.6	-173.9	-172.1	-63.1	144.3	-0.5	109.4	H491 G554 T555 V557 Y565	H491-R567 HydrophobicContact CB-CG 3.63Å; G554-R567 CarbonylContact C-O 3.56Å; G554-R567 WeakPolarHBondContact CA-O 3.13Å; T555-R567 PolarHBondContact N-O 2.76Å; T555-R567 PolarHBondContact O-N 2.94Å; V557-R567 HydrophobicContact CG2-CB 4.07Å; Y565-R567 HydrophobicContact CE2-CB 4.46Å; Y565-R567 PolarHBondContact OH-NH2 3.09Å; Y565-R567 VanDerWaalsContact OH-NH2 3.13Å
568	G	96.8	Very high	93.3	Very high	6 Å²	6	40 Å²	40	6%	0.062	22%	0.224	C	C	.	.			trans	-68	174.9	174.9	0	0	0	0	0	112.6	H491 L492	H491-G568 PolarHBondContact ND1-O 2.9Å; L492-G568 PolarHBondContact O-N 2.77Å
569	P	96.2	Very high	93.3	Very high	7 Å²	7	37.7 Å²	37.7	5%	0.045	21%	0.207	C	C	.	.			trans	-61.6	147.3	175.1	29.6	-36.1	0	0	0	111.1	I30 F546	I30-P569 HydrophobicContact CB-CB 4.02Å; I30-P569 HydrophobicContact CB-CG 4.21Å; I30-P569 HydrophobicContact CG2-CB 3.76Å; I30-P569 HydrophobicContact CG2-CG 3.97Å; F546-P569 HydrophobicContact CD1-CG 3.93Å; F546-P569 HydrophobicContact CD2-CB 4.28Å; F546-P569 HydrophobicContact CD2-CG 3.96Å; F546-P569 HydrophobicContact CE1-CB 4.09Å; F546-P569 HydrophobicContact CE1-CG 3.72Å; F546-P569 HydrophobicContact CE2-CB 3.63Å; F546-P569 HydrophobicContact CE2-CG 3.78Å; F546-P569 HydrophobicContact CG-CG 4.04Å; F546-P569 HydrophobicContact CZ-CB 3.53Å; F546-P569 HydrophobicContact CZ-CG 3.65Å; F546-P569 VanDerWaalsContact O-CG 3.23Å; F546-P569 WeakPolarHBondContact O-CG 3.22Å
570	G	96.6	Very high	93.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.			trans	-85.5	136.9	-178.6	0	0	0	0	0	112.3	D32 F33 A490 H491 F546	D32-G570 CarbonylContact C-O 3.52Å; D32-G570 WeakPolarHBondContact CA-O 3.32Å; D32-G570 WeakPolarHBondContact CB-O 3.33Å; D32-G570 WeakPolarHBondContact OD1-CA 3.38Å; D32-G570 PolarHBondContact OD1-N 3.29Å; F33-G570 PolarHBondContact N-O 2.88Å; A490-G570 WeakPolarHBondContact O-CA 3.32Å; H491-G570 WeakPolarHBondContact CE1-CA 3.21Å; H491-G570 PolarHBondContact CE1-N 3.23Å; H491-G570 VanDerWaalsContact CE1-N 3.31Å; H491-G570 VanDerWaalsContact ND1-CA 3.26Å; H491-G570 WeakPolarHBondContact ND1-CA 3.44Å; H491-G570 PolarHBondContact ND1-N 2.85Å; F546-G570 WeakPolarHBondContact CZ-O 3.42Å
571	F	97.2	Very high	94.3	Very high	27 Å²	27	35 Å²	35	12%	0.118	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.6	175.1	-163.4	-83.1	0	0	0	109.3	F33 V35 A490 V531 M537 F546 W547	F33-F571 HydrophobicContact CB-CD2 3.72Å; F33-F571 HydrophobicContact CB-CE2 4.15Å; F33-F571 HydrophobicContact CB-CG 4.48Å; F33-F571 AromaticContact CD1-CD2 3.64Å; F33-F571 HydrophobicContact CD1-CD2 3.64Å; F33-F571 AromaticContact CD1-CE2 3.21Å; F33-F571 HydrophobicContact CD1-CE2 3.21Å; F33-F571 HydrophobicContact CD1-CG 4.43Å; F33-F571 AromaticContact CD1-CZ 3.75Å; F33-F571 HydrophobicContact CD1-CZ 3.75Å; F33-F571 AromaticContact CE1-CE2 3.75Å; F33-F571 HydrophobicContact CE1-CE2 3.75Å; F33-F571 AromaticContact CE1-CZ 3.97Å; F33-F571 HydrophobicContact CE1-CZ 3.97Å; F33-F571 AromaticContact CG-CD2 3.94Å; F33-F571 HydrophobicContact CG-CD2 3.94Å; F33-F571 AromaticContact CG-CE2 3.82Å; F33-F571 HydrophobicContact CG-CE2 3.82Å; V35-F571 HydrophobicContact CG1-CD1 3.65Å; V35-F571 HydrophobicContact CG1-CE1 3.09Å; V35-F571 HydrophobicContact CG1-CE2 4.45Å; V35-F571 HydrophobicContact CG1-CZ 3.56Å; A490-F571 PolarHBondContact N-O 2.95Å; A490-F571 PolarHBondContact O-N 2.89Å; V531-F571 HydrophobicContact CB-CD1 3.66Å; V531-F571 HydrophobicContact CB-CE1 4.1Å; V531-F571 HydrophobicContact CG1-CD1 3.65Å; V531-F571 HydrophobicContact CG1-CE1 4.11Å; V531-F571 HydrophobicContact CG2-CD1 4.38Å; M537-F571 HydrophobicContact CE-CD2 4.3Å; M537-F571 HydrophobicContact CE-CE2 3.73Å; M537-F571 HydrophobicContact SD-CD2 4.29Å; M537-F571 HydrophobicContact SD-CE2 3.74Å; F546-F571 HydrophobicContact CD1-CD2 4.38Å; F546-F571 HydrophobicContact CE1-CB 3.87Å; F546-F571 AromaticContact CE1-CD2 3.83Å; F546-F571 HydrophobicContact CE1-CD2 3.83Å; F546-F571 HydrophobicContact CE1-CG 4.33Å; F546-F571 HydrophobicContact CZ-CB 4.15Å; F546-F571 HydrophobicContact CZ-CD2 4.02Å; W547-F571 HydrophobicContact CH2-CB 3.39Å; W547-F571 HydrophobicContact CH2-CG 4.12Å; W547-F571 HydrophobicContact CZ2-CB 3.39Å; W547-F571 HydrophobicContact CZ2-CD1 4.16Å; W547-F571 AromaticContact CZ2-CD2 3.88Å; W547-F571 HydrophobicContact CZ2-CD2 3.88Å; W547-F571 AromaticContact CZ2-CG 3.58Å; W547-F571 HydrophobicContact CZ2-CG 3.58Å
572	G	96.3	Very high	94.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-145.6	-173.3	0	0	0	0	0	112.5	F33 D34 V35 A488	F33-G572 PolarHBondContact O-N 2.04Å; F33-G572 VanDerWaalsContact O-N 3.09Å; D34-G572 CarbonylContact C-O 3.49Å; D34-G572 WeakPolarHBondContact CA-O 3.39Å; V35-G572 WeakPolarHBondContact CG1-O 3.36Å; V35-G572 WeakPolarHBondContact CG2-O 3.48Å; V35-G572 PolarHBondContact N-O 2.87Å; A488-G572 CarbonylContact O-C 3.52Å; A488-G572 VanDerWaalsContact O-CA 3.32Å; A488-G572 WeakPolarHBondContact O-CA 3.41Å
573	T	95.3	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140	-170.9	175	0	0	0	0	112.3	D34 D36 S487 A488 R529 A575 Y576	D34-T573 VanDerWaalsContact OD1-CA 3.31Å; D34-T573 WeakPolarHBondContact OD1-CA 3.34Å; D36-T573 WeakPolarHBondContact OD2-CB 3.45Å; D36-T573 PolarHBondContact OD2-OG1 3.16Å; S487-T573 CarbonylContact C-O 3.58Å; S487-T573 WeakPolarHBondContact CA-O 3.29Å; S487-T573 WeakPolarHBondContact CB-O 3.5Å; A488-T573 PolarHBondContact N-O 2.97Å; A488-T573 PolarHBondContact O-N 3.46Å; R529-T573 HydrophobicContact CG-CG2 4.13Å; R529-T573 PolarHBondContact NH1-OG1 2.81Å; T573-A575 VanDerWaalsContact C-N 3.32Å; T573-A575 PolarHBondContact OG1-N 2.8Å; T573-A575 PolarHBondContact OG1-O 3.49Å; T573-Y576 HydrophobicContact CG2-CD2 4.07Å
574	A	94.2	Very high	95.2	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-23.5	166.8	0	0	0	0	0	113.1	D34 Y482 S487	D34-A574 PolarHBondContact OD1-N 2.94Å; D34-A574 VanDerWaalsContact OD1-N 3.12Å; D34-A574 WeakPolarHBondContact OD2-CB 3.16Å; Y482-A574 HydrophobicContact CD2-CB 3.88Å; Y482-A574 HydrophobicContact CE1-CB 4.26Å; Y482-A574 HydrophobicContact CE2-CB 3.49Å; Y482-A574 VanDerWaalsContact CE2-CB 3.49Å; Y482-A574 HydrophobicContact CG-CB 4.29Å; Y482-A574 WeakPolarHBondContact OH-CB 3.36Å; S487-A574 WeakPolarHBondContact CB-O 3.36Å; S487-A574 PolarHBondContact OG-O 2.92Å
575	A	93.4	Very high	95.3	Very high	7 Å²	7	28.1 Å²	28.1	6%	0.058	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	65.4	-177.4	0	0	0	0	0	111.8	D40 Y482 R529 T573	D40-A575 HydrophobicContact CB-CB 3.74Å; Y482-A575 HydrophobicContact CE1-CB 4.46Å; R529-A575 PolarHBondContact NH1-O 2.93Å; T573-A575 VanDerWaalsContact C-N 3.32Å; T573-A575 PolarHBondContact OG1-N 2.8Å; T573-A575 PolarHBondContact OG1-O 3.49Å
576	Y	95.6	Very high	95.3	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.027	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-50.5	-178.1	-176.9	-110.3	0	0	0	112.5	L486 A488 M512 L514 N527 R529 T573 F595	L486-Y576 HydrophobicContact CB-CD1 4.22Å; L486-Y576 WeakPolarHBondContact O-CA 3.18Å; L486-Y576 WeakPolarHBondContact O-CB 3.4Å; L486-Y576 PolarHBondContact O-N 3.28Å; A488-Y576 HydrophobicContact CB-CD1 4.16Å; A488-Y576 HydrophobicContact CB-CD2 3.52Å; A488-Y576 HydrophobicContact CB-CE2 4.04Å; A488-Y576 HydrophobicContact CB-CG 3.58Å; M512-Y576 PolarHBondContact O-OH 3.36Å; L514-Y576 HydrophobicContact CB-CE1 3.95Å; L514-Y576 PolarHBondContact N-OH 2.9Å; N527-Y576 WeakPolarHBondContact ND2-CE1 3.32Å; N527-Y576 PolarHBondContact ND2-O 2.78Å; N527-Y576 PolarHBondContact O-OH 2.92Å; N527-Y576 VanDerWaalsContact O-OH 3.11Å; R529-Y576 HydrophobicContact CB-CD2 4.13Å; R529-Y576 HydrophobicContact CB-CE2 3.88Å; R529-Y576 HydrophobicContact CG-CD2 3.52Å; R529-Y576 HydrophobicContact CG-CE2 3.6Å; T573-Y576 HydrophobicContact CG2-CD2 4.07Å; Y576-F595 HydrophobicContact CE1-CE1 4.41Å
577	L	95.7	Very high	95.3	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	136.3	177.3	-171.4	62.1	0	0	0	110.1	M245 L486 L514 N527 R581 A582 F587	M245-L577 HydrophobicContact CG-CD1 4.1Å; M245-L577 HydrophobicContact SD-CD1 3.82Å; L486-L577 WeakPolarHBondContact CB-O 3.41Å; L486-L577 HydrophobicContact CD1-CB 4.38Å; L486-L577 PolarHBondContact N-O 3.1Å; L486-L577 PolarHBondContact O-N 3.14Å; L514-L577 HydrophobicContact CD2-CD2 3.78Å; N527-L577 HydrophobicContact CB-CD1 4.39Å; N527-L577 HydrophobicContact CB-CD2 4.12Å; L577-R581 HydrophobicContact CD1-CB 3.54Å; L577-R581 HydrophobicContact CD1-CG 4.37Å; L577-R581 HydrophobicContact CD2-CB 4.38Å; L577-R581 HydrophobicContact CG-CB 3.9Å; L577-A582 HydrophobicContact CD2-CB 3.94Å; L577-A582 HydrophobicContact CG-CB 4.43Å; L577-F587 HydrophobicContact CD2-CD2 4.47Å; L577-F587 HydrophobicContact CD2-CE2 4.28Å; L577-F587 HydrophobicContact CD2-CZ 4.41Å
578	T	94.3	Very high	95.3	Very high	33 Å²	33	26.6 Å²	26.6	20%	0.202	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	149	175	68.7	0	0	0	0	111.4	Q485 L580 R581 A582	Q485-T578 HydrophobicContact CG-CG2 4.4Å; T578-L580 PolarHBondContact O-N 3.29Å; T578-R581 PolarHBondContact O-N 3.46Å; T578-R581 VanDerWaalsContact O-N 3.1Å; T578-R581 WeakPolarHBondContact OG1-CG 3.49Å; T578-R581 PolarHBondContact OG1-N 3.28Å; T578-A582 PolarHBondContact O-N 3.11Å
579	H	93.8	Very high	95.1	Very high	31 Å²	31	26.5 Å²	26.5	14%	0.144	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-36.1	175.6	-76.6	-166.7	0	0	0	112.3	P476 G484 A582 K583	P476-H579 PolarHBondContact O-CE1 2.65Å; P476-H579 VanDerWaalsContact O-CE1 3.32Å; P476-H579 PolarHBondContact O-NE2 3.3Å; G484-H579 WeakPolarHBondContact O-CB 3.35Å; G484-H579 PolarHBondContact O-CD2 2.84Å; G484-H579 PolarHBondContact O-N 3.01Å; H579-A582 PolarHBondContact O-N 2.74Å; H579-K583 WeakPolarHBondContact O-CB 3.21Å; H579-K583 VanDerWaalsContact O-CG 3.31Å; H579-K583 WeakPolarHBondContact O-CG 3.15Å; H579-K583 PolarHBondContact O-N 2.97Å
580	L	93.4	Very high	94.7	Very high	98 Å²	98	28.6 Å²	28.6	51%	0.513	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-45.9	176.5	-176.7	69.6	0	0	0	111.2	D239 T578 K583 S584	D239-L580 HydrophobicContact CB-CD2 3.22Å; T578-L580 PolarHBondContact O-N 3.29Å; L580-K583 PolarHBondContact O-N 2.84Å; L580-S584 PolarHBondContact O-N 3.47Å
581	R	95.6	Very high	94.4	Very high	45 Å²	45	29.7 Å²	29.7	17%	0.17	16%	0.164	C	C	.	.	H	α-helix	trans	-70.3	-39	177.2	-70.9	178.8	-178.7	158.5	1.6	111.7	G242 M245 L577 T578 K583 S584 F587	G242-R581 PolarHBondContact O-NH2 3.19Å; M245-R581 HydrophobicContact SD-CB 4.31Å; L577-R581 HydrophobicContact CD1-CB 3.54Å; L577-R581 HydrophobicContact CD1-CG 4.37Å; L577-R581 HydrophobicContact CD2-CB 4.38Å; L577-R581 HydrophobicContact CG-CB 3.9Å; T578-R581 PolarHBondContact O-N 3.46Å; T578-R581 VanDerWaalsContact O-N 3.1Å; T578-R581 WeakPolarHBondContact OG1-CG 3.49Å; T578-R581 PolarHBondContact OG1-N 3.28Å; R581-K583 VanDerWaalsContact C-N 3.27Å; R581-K583 PolarHBondContact O-N 3.47Å; R581-S584 WeakPolarHBondContact O-CB 3.43Å; R581-S584 PolarHBondContact O-N 3.02Å; R581-S584 PolarHBondContact O-OG 3.38Å; R581-F587 VanDerWaalsContact O-CD2 3.3Å; R581-F587 WeakPolarHBondContact O-CD2 3.38Å
582	A	95.6	Very high	94.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-30.8	175.5	0	0	0	0	0	113.2	M448 L486 L577 T578 H579 S584 F587	M448-A582 HydrophobicContact SD-CB 4.26Å; L486-A582 HydrophobicContact CD1-CB 3.86Å; L577-A582 HydrophobicContact CD2-CB 3.94Å; L577-A582 HydrophobicContact CG-CB 4.43Å; T578-A582 PolarHBondContact O-N 3.11Å; H579-A582 PolarHBondContact O-N 2.74Å; A582-S584 VanDerWaalsContact C-N 3.32Å; A582-F587 WeakPolarHBondContact O-CB 3.25Å
583	K	93.8	Very high	94.4	Very high	107 Å²	107	29.5 Å²	29.5	47%	0.465	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.8	173.5	-68.2	177.8	-179.4	-175.7	0	113	M448 D449 H579 L580 R581	M448-K583 HydrophobicContact CE-CD 4.45Å; M448-K583 HydrophobicContact CE-CG 3.92Å; D449-K583 IonicContact OD1-NZ 3.58Å; D449-K583 PolarHBondContact OD1-NZ 3.46Å; D449-K583 IonicContact OD2-NZ 2.65Å; H579-K583 WeakPolarHBondContact O-CB 3.21Å; H579-K583 VanDerWaalsContact O-CG 3.31Å; H579-K583 WeakPolarHBondContact O-CG 3.15Å; H579-K583 PolarHBondContact O-N 2.97Å; L580-K583 PolarHBondContact O-N 2.84Å; R581-K583 VanDerWaalsContact C-N 3.27Å; R581-K583 PolarHBondContact O-N 3.47Å
584	S	93.3	Very high	94.5	Very high	43 Å²	43	29.4 Å²	29.4	30%	0.301	16%	0.164	S	C	.	.	S	Bend	trans	-91.6	169.6	174.9	83.4	0	0	0	0	111.5	L580 R581 A582 F587	L580-S584 PolarHBondContact O-N 3.47Å; R581-S584 WeakPolarHBondContact O-CB 3.43Å; R581-S584 PolarHBondContact O-N 3.02Å; R581-S584 PolarHBondContact O-OG 3.38Å; A582-S584 VanDerWaalsContact C-N 3.32Å; S584-F587 WeakPolarHBondContact O-CD2 3.45Å
585	R	94.6	Very high	94.7	Very high	85 Å²	85	29.3 Å²	29.3	32%	0.321	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	-143	178.7	-53.6	-169.2	66.5	82.3	-1.5	111.7	D516 K523 M525 F587	D516-R585 IonicContact OD2-CZ 3.27Å; D516-R585 IonicContact OD2-NE 2.69Å; D516-R585 PolarHBondContact OD2-NE 3.05Å; D516-R585 IonicContact OD2-NH2 3.1Å; D516-R585 PolarHBondContact OD2-NH2 2.95Å; K523-R585 PolarHBondContact O-NH2 3.47Å; M525-R585 VanDerWaalsContact SD-CZ 3.51Å; M525-R585 PolarHBondContact SD-NH1 3.22Å; M525-R585 VanDerWaalsContact SD-NH1 3.4Å; R585-F587 HydrophobicContact CB-CD2 4.43Å
586	D	96.2	Very high	94.9	Very high	20 Å²	20	29.6 Å²	29.6	11%	0.107	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	30.9	178.4	-66.4	-50	0	0	0	112.1	K310 D516 Q517 I588 K589	K310-D586 IonicContact NZ-OD1 2.65Å; K310-D586 PolarHBondContact NZ-OD1 2.86Å; D516-D586 WeakPolarHBondContact OD1-CB 3.35Å; D516-D586 PolarHBondContact OD1-N 3.25Å; D516-D586 VanDerWaalsContact OD1-N 3.1Å; Q517-D586 HydrophobicContact CB-CB 4.26Å; Q517-D586 WeakPolarHBondContact CB-O 3.26Å; Q517-D586 WeakPolarHBondContact CG-O 3.35Å; Q517-D586 PolarHBondContact N-O 3.45Å; Q517-D586 PolarHBondContact NE2-O 2.65Å; D586-I588 PolarHBondContact O-N 2.57Å; D586-K589 HydrophobicContact CB-CD 4.31Å
587	F	97.8	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-61.6	-34.8	172.2	-71.8	-61.1	0	0	0	112.6	M245 L514 D516 Q517 M525 N527 L577 R581 A582 S584 R585	M245-F587 HydrophobicContact CE-CE2 4.44Å; M245-F587 HydrophobicContact SD-CE2 3.59Å; M245-F587 VanDerWaalsContact SD-CE2 3.59Å; M245-F587 HydrophobicContact SD-CZ 3.56Å; M245-F587 VanDerWaalsContact SD-CZ 3.56Å; L514-F587 HydrophobicContact CD2-CB 4.36Å; L514-F587 HydrophobicContact CD2-CD1 4.03Å; L514-F587 HydrophobicContact CD2-CG 4.29Å; L514-F587 HydrophobicContact CG-CB 4.48Å; L514-F587 HydrophobicContact CG-CD1 3.71Å; L514-F587 HydrophobicContact CG-CE1 4.3Å; L514-F587 HydrophobicContact CG-CG 4.38Å; L514-F587 WeakPolarHBondContact O-CE1 3.27Å; D516-F587 HydrophobicContact CB-CD1 4.14Å; D516-F587 HydrophobicContact CB-CE1 3.9Å; D516-F587 HydrophobicContact CB-CZ 4.38Å; Q517-F587 PolarHBondContact NE2-O 2.82Å; M525-F587 WeakPolarHBondContact O-CZ 3.12Å; N527-F587 HydrophobicContact CB-CE1 4.18Å; N527-F587 HydrophobicContact CB-CZ 4.22Å; L577-F587 HydrophobicContact CD2-CD2 4.47Å; L577-F587 HydrophobicContact CD2-CE2 4.28Å; L577-F587 HydrophobicContact CD2-CZ 4.41Å; R581-F587 VanDerWaalsContact O-CD2 3.3Å; R581-F587 WeakPolarHBondContact O-CD2 3.38Å; A582-F587 WeakPolarHBondContact O-CB 3.25Å; S584-F587 WeakPolarHBondContact O-CD2 3.45Å; R585-F587 HydrophobicContact CB-CD2 4.43Å
588	I	95.8	Very high	95.1	Very high	31 Å²	31	30 Å²	30	16%	0.159	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	105.8	173.5	-54.8	173.1	0	0	0	108.2	F444 M448 D586 G591 D592	F444-I588 HydrophobicContact CD1-CD1 3.86Å; F444-I588 HydrophobicContact CD1-CG1 4.07Å; M448-I588 HydrophobicContact CE-CD1 3.25Å; M448-I588 HydrophobicContact SD-CD1 4.37Å; D586-I588 PolarHBondContact O-N 2.57Å; I588-G591 WeakPolarHBondContact CG2-O 3.49Å; I588-D592 WeakPolarHBondContact CA-O 3.45Å
589	K	93.7	Very high	95.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.5	-174.3	-165.6	175.1	-170.5	-167.6	0	109	Y305 S306 M308 D426 Q517 D586 G591 D592	Y305-K589 HydrophobicContact CE1-CD 3.91Å; Y305-K589 HydrophobicContact CE2-CD 4.41Å; Y305-K589 WeakPolarHBondContact O-CE 3.48Å; Y305-K589 PolarHBondContact O-NZ 2.94Å; S306-K589 WeakPolarHBondContact O-CE 3.25Å; S306-K589 PolarHBondContact O-NZ 3.48Å; M308-K589 HydrophobicContact CG-CD 4.31Å; M308-K589 HydrophobicContact CG-CG 3.69Å; D426-K589 IonicContact OD2-NZ 2.7Å; D426-K589 PolarHBondContact OD2-NZ 2.81Å; Q517-K589 HydrophobicContact CB-CB 4.04Å; Q517-K589 HydrophobicContact CB-CD 3.72Å; Q517-K589 HydrophobicContact CG-CB 4.45Å; Q517-K589 WeakPolarHBondContact O-CD 3.23Å; Q517-K589 PolarHBondContact O-NZ 3.22Å; Q517-K589 VanDerWaalsContact O-NZ 3.08Å; D586-K589 HydrophobicContact CB-CD 4.31Å; K589-G591 PolarHBondContact O-N 3.1Å; K589-D592 PolarHBondContact N-O 2.98Å; K589-D592 PolarHBondContact O-N 3.43Å; K589-D592 VanDerWaalsContact O-N 3.1Å
590	G	87.6	Confident	95.3	Very high	51 Å²	51	30.1 Å²	30.1	53%	0.526	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	20.4	-170	0	0	0	0	0	114.4	D592	G590-D592 VanDerWaalsContact C-N 3.26Å; G590-D592 PolarHBondContact O-N 3.16Å
591	G	90.4	Very high	95.4	Very high	24 Å²	24	28.4 Å²	28.4	25%	0.247	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-12.2	-172	0	0	0	0	0	114.3	N443 F444 I588 K589	N443-G591 CarbonylContact C-O 3.59Å; N443-G591 WeakPolarHBondContact CA-O 3.45Å; N443-G591 PolarHBondContact N-O 3.03Å; F444-G591 PolarHBondContact N-O 3.27Å; I588-G591 WeakPolarHBondContact CG2-O 3.49Å; K589-G591 PolarHBondContact O-N 3.1Å
592	D	94.4	Very high	95.5	Very high	23 Å²	23	26.7 Å²	26.7	12%	0.123	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.8	-174.9	-66.8	-6.2	0	0	0	112.1	R440 V441 K442 N443 Q517 I588 K589 G590	R440-D592 WeakPolarHBondContact CD-OD2 3.44Å; R440-D592 HydrophobicContact CG-CB 4.26Å; R440-D592 IonicContact CZ-OD2 2.72Å; R440-D592 IonicContact NE-OD2 3.08Å; R440-D592 IonicContact NH1-OD2 3.6Å; R440-D592 PolarHBondContact NH1-OD2 3.24Å; R440-D592 VanDerWaalsContact NH1-OD2 3.16Å; V441-D592 WeakPolarHBondContact O-CA 3.36Å; K442-D592 WeakPolarHBondContact CA-OD1 3.49Å; N443-D592 PolarHBondContact N-OD1 2.88Å; Q517-D592 PolarHBondContact NE2-O 2.7Å; I588-D592 WeakPolarHBondContact CA-O 3.45Å; K589-D592 PolarHBondContact N-O 2.98Å; K589-D592 PolarHBondContact O-N 3.43Å; K589-D592 VanDerWaalsContact O-N 3.1Å; G590-D592 VanDerWaalsContact C-N 3.26Å; G590-D592 PolarHBondContact O-N 3.16Å
593	A	97.7	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.8	166.7	0	0	0	0	0	110.3	R440 V441 F444 L514 F595	R440-A593 WeakPolarHBondContact CA-O 3.38Å; V441-A593 PolarHBondContact N-O 3.12Å; V441-A593 PolarHBondContact O-N 2.78Å; F444-A593 HydrophobicContact CB-CB 3.61Å; F444-A593 HydrophobicContact CD1-CB 3.47Å; F444-A593 VanDerWaalsContact CD1-CB 3.47Å; F444-A593 HydrophobicContact CD2-CB 4.28Å; F444-A593 HydrophobicContact CE1-CB 4.18Å; F444-A593 HydrophobicContact CG-CB 3.52Å; L514-A593 HydrophobicContact CD1-CB 4.03Å; A593-F595 HydrophobicContact CB-CE2 4.11Å
594	I	98.2	Very high	95.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.5	178.5	-61.1	-179.2	0	0	0	109.4	F350 L393 V438 M515 Q517 L596	F350-I594 HydrophobicContact CE1-CD1 3.99Å; F350-I594 HydrophobicContact CZ-CD1 4.12Å; L393-I594 HydrophobicContact CB-CD1 4.32Å; L393-I594 HydrophobicContact CD2-CD1 4.41Å; L393-I594 HydrophobicContact CD2-CG2 4.08Å; V438-I594 HydrophobicContact CG1-CG2 3.67Å; M515-I594 HydrophobicContact CB-CB 4.43Å; M515-I594 WeakPolarHBondContact CB-O 3.2Å; M515-I594 PolarHBondContact N-O 3.35Å; M515-I594 HydrophobicContact SD-CG2 4.33Å; Q517-I594 HydrophobicContact CG-CD1 4.44Å; Q517-I594 VanDerWaalsContact OE1-CD1 3.24Å; I594-L596 HydrophobicContact CG2-CD2 4Å
595	F	98.4	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.1	171.7	-61.2	-89.3	0	0	0	109.7	V438 W439 V441 F444 M472 I474 M513 L514 Y576 A593 L597	V438-F595 WeakPolarHBondContact CA-O 3.24Å; W439-F595 HydrophobicContact CB-CB 4.25Å; W439-F595 HydrophobicContact CD2-CD2 4.16Å; W439-F595 HydrophobicContact CE3-CB 4Å; W439-F595 AromaticContact CE3-CD2 3.72Å; W439-F595 HydrophobicContact CE3-CD2 3.72Å; W439-F595 HydrophobicContact CE3-CE2 4.43Å; W439-F595 AromaticContact CE3-CG 3.91Å; W439-F595 HydrophobicContact CE3-CG 3.91Å; W439-F595 HydrophobicContact CZ3-CD2 4.2Å; W439-F595 HydrophobicContact CZ3-CG 4.45Å; W439-F595 PolarHBondContact N-O 3.09Å; W439-F595 PolarHBondContact O-N 3.39Å; V441-F595 HydrophobicContact CG2-CD2 4.11Å; V441-F595 HydrophobicContact CG2-CE2 3.83Å; F444-F595 HydrophobicContact CZ-CZ 4.15Å; M472-F595 HydrophobicContact CE-CD1 3.63Å; M472-F595 HydrophobicContact CE-CE1 3.79Å; M472-F595 HydrophobicContact CE-CG 4.45Å; M472-F595 HydrophobicContact SD-CB 4.3Å; M472-F595 HydrophobicContact SD-CD1 3.9Å; M472-F595 HydrophobicContact SD-CG 4.2Å; I474-F595 HydrophobicContact CD1-CE1 3.66Å; I474-F595 HydrophobicContact CD1-CE2 4.3Å; I474-F595 HydrophobicContact CD1-CZ 3.34Å; M513-F595 CarbonylContact O-C 3.5Å; M513-F595 WeakPolarHBondContact O-CA 3.33Å; L514-F595 HydrophobicContact CB-CD1 4.08Å; L514-F595 HydrophobicContact CB-CE1 3.88Å; L514-F595 HydrophobicContact CD1-CD1 4.19Å; L514-F595 HydrophobicContact CD1-CE1 3.78Å; L514-F595 HydrophobicContact CD1-CE2 4.34Å; L514-F595 HydrophobicContact CD1-CZ 3.85Å; L514-F595 HydrophobicContact CG-CE1 4.26Å; Y576-F595 HydrophobicContact CE1-CE1 4.41Å; A593-F595 HydrophobicContact CB-CE2 4.11Å; F595-L597 HydrophobicContact CB-CD2 4.25Å
596	L	98.1	Very high	95.8	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.063	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.8	173.1	-55.6	178.3	0	0	0	108.1	L393 P435 V438 M513 M515 I594	L393-L596 HydrophobicContact CD2-CD2 3.98Å; P435-L596 HydrophobicContact CB-CB 4.09Å; P435-L596 HydrophobicContact CB-CD2 4.38Å; P435-L596 HydrophobicContact CG-CB 4.28Å; P435-L596 HydrophobicContact CG-CD1 3.98Å; P435-L596 HydrophobicContact CG-CD2 4.41Å; P435-L596 HydrophobicContact CG-CG 4.46Å; V438-L596 HydrophobicContact CG1-CD2 4.4Å; V438-L596 HydrophobicContact CG2-CD2 3.96Å; M513-L596 HydrophobicContact CB-CB 4.26Å; M513-L596 PolarHBondContact N-O 2.91Å; M513-L596 PolarHBondContact O-N 2.73Å; M513-L596 HydrophobicContact SD-CB 4.45Å; M513-L596 HydrophobicContact SD-CD1 3.96Å; M515-L596 HydrophobicContact CB-CD1 4.13Å; M515-L596 HydrophobicContact CB-CG 4.19Å; M515-L596 HydrophobicContact CG-CD1 4.25Å; M515-L596 HydrophobicContact SD-CD1 3.88Å; M515-L596 HydrophobicContact SD-CD2 4.34Å; M515-L596 HydrophobicContact SD-CG 4.3Å; I594-L596 HydrophobicContact CG2-CD2 4Å
597	L	97.6	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.7	-174.6	-46.6	174.7	0	0	0	110.5	E436 F437 W439 F462 F470 M472 T511 M512 F595	E436-L597 PolarHBondContact N-O 3.02Å; F437-L597 HydrophobicContact CB-CB 4.24Å; F437-L597 PolarHBondContact N-O 2.86Å; F437-L597 PolarHBondContact O-N 2.81Å; W439-L597 HydrophobicContact CB-CD1 4.25Å; F462-L597 HydrophobicContact CD2-CD1 3.77Å; F462-L597 HydrophobicContact CE2-CD1 3.51Å; F470-L597 HydrophobicContact CE2-CB 4.01Å; F470-L597 HydrophobicContact CE2-CD1 4.43Å; F470-L597 HydrophobicContact CZ-CB 3.73Å; M472-L597 HydrophobicContact CB-CD1 4.03Å; M472-L597 HydrophobicContact CB-CD2 4.22Å; M472-L597 HydrophobicContact CG-CD2 4.48Å; M472-L597 HydrophobicContact SD-CD2 3.54Å; M472-L597 VanDerWaalsContact SD-CD2 3.54Å; T511-L597 WeakPolarHBondContact O-CA 3.11Å; M512-L597 HydrophobicContact CB-CD2 4.3Å; M512-L597 HydrophobicContact CG-CD2 4.22Å; F595-L597 HydrophobicContact CB-CD2 4.25Å
598	T	96.6	Very high	95.3	Very high	22 Å²	22	35.2 Å²	35.2	14%	0.135	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.5	173.9	68	0	0	0	0	110.5	P435 M510 T511	P435-T598 HydrophobicContact CB-CG2 4.38Å; M510-T598 CarbonylContact C-O 3.48Å; M510-T598 VanDerWaalsContact CA-O 3.31Å; M510-T598 WeakPolarHBondContact CA-O 3.37Å; T511-T598 WeakPolarHBondContact CB-OG1 3.45Å; T511-T598 PolarHBondContact N-O 2.89Å; T511-T598 PolarHBondContact O-N 2.78Å
599	M	96.9	Very high	95	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.1	165.6	174.2	179.6	-80.9	0	0	108.2	F470 L492 K508 Q509 M510	F470-M599 HydrophobicContact CB-CE 3.55Å; F470-M599 HydrophobicContact CD1-CB 4.02Å; F470-M599 HydrophobicContact CD1-CE 3.79Å; F470-M599 HydrophobicContact CD1-SD 4.35Å; F470-M599 HydrophobicContact CE1-CB 3.8Å; F470-M599 HydrophobicContact CG-CE 3.78Å; F470-M599 HydrophobicContact CZ-CB 4.41Å; L492-M599 HydrophobicContact CD2-CE 3.74Å; K508-M599 HydrophobicContact CB-CE 4.48Å; K508-M599 HydrophobicContact CB-CG 4.07Å; K508-M599 HydrophobicContact CB-SD 4.27Å; K508-M599 HydrophobicContact CG-SD 4.48Å; Q509-M599 WeakPolarHBondContact O-CA 3.22Å; M510-M599 HydrophobicContact CG-CB 4.33Å; M510-M599 HydrophobicContact CG-CE 3.39Å; M510-M599 HydrophobicContact CG-CG 4.26Å; M510-M599 HydrophobicContact SD-CE 3.36Å; M510-M599 WeakPolarHBondContact SD-CE 3.37Å
600	E	95.6	Very high	94.6	Very high	66 Å²	66	40.6 Å²	40.6	31%	0.308	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.1	-174.2	-63	172.2	107.2	0	0	110.5	K99 K508 Q509 V602	K99-E600 IonicContact NZ-OE2 2.72Å; K99-E600 PolarHBondContact NZ-OE2 2.62Å; K508-E600 WeakPolarHBondContact CA-O 3.27Å; Q509-E600 PolarHBondContact N-O 2.98Å; Q509-E600 PolarHBondContact O-N 2.72Å; E600-V602 PolarHBondContact O-N 2.96Å
601	D	96.3	Very high	94.4	Very high	61 Å²	61	42.6 Å²	42.6	33%	0.326	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.9	166.7	-168.7	-57.7	0	0	0	111.4	E466 K508 A603	E466-D601 WeakPolarHBondContact OE1-CB 3.28Å; E466-D601 PolarHBondContact OE1-N 2.7Å; K508-D601 HydrophobicContact CD-CB 4.34Å; K508-D601 IonicContact NZ-OD2 3.35Å; K508-D601 PolarHBondContact NZ-OD2 2.96Å; D601-A603 VanDerWaalsContact OD1-CB 3.23Å; D601-A603 WeakPolarHBondContact OD1-CB 3.22Å; D601-A603 PolarHBondContact OD1-N 3.23Å
602	V	97.2	Very high	93.8	Very high	9 Å²	9	43 Å²	43	6%	0.055	24%	0.243	C	C	.	.			trans	-116.6	17.3	176.7	-63.3	0	0	0	0	112.6	I91 W507 Q509 T532 E600 H604 L605	I91-V602 HydrophobicContact CG2-CG2 3.82Å; W507-V602 HydrophobicContact CB-CG2 4.41Å; W507-V602 WeakPolarHBondContact O-CG2 3.45Å; W507-V602 PolarHBondContact O-N 2.91Å; Q509-V602 HydrophobicContact CB-CG1 3.84Å; Q509-V602 HydrophobicContact CB-CG2 3.84Å; T532-V602 HydrophobicContact CG2-CG2 3.89Å; E600-V602 PolarHBondContact O-N 2.96Å; V602-H604 PolarHBondContact O-N 3.02Å; V602-H604 VanDerWaalsContact O-N 3.16Å; V602-L605 HydrophobicContact CB-CD1 3.92Å; V602-L605 HydrophobicContact CB-CG 4.31Å; V602-L605 HydrophobicContact CG1-CD1 4.23Å; V602-L605 WeakPolarHBondContact O-CB 3.48Å; V602-L605 PolarHBondContact O-N 2.85Å
603	A	96.7	Very high	92.3	Very high	30 Å²	30	47.2 Å²	47.2	25%	0.248	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.2	-179.5	0	0	0	0	0	112.1	W507 D601 L605 T606	W507-A603 HydrophobicContact CB-CB 4.01Å; W507-A603 HydrophobicContact CG-CB 4.48Å; D601-A603 VanDerWaalsContact OD1-CB 3.23Å; D601-A603 WeakPolarHBondContact OD1-CB 3.22Å; D601-A603 PolarHBondContact OD1-N 3.23Å; A603-L605 PolarHBondContact O-N 2.93Å; A603-T606 WeakPolarHBondContact O-CB 3.46Å; A603-T606 WeakPolarHBondContact O-CG2 3.28Å; A603-T606 PolarHBondContact O-N 3.46Å; A603-T606 VanDerWaalsContact O-N 3.08Å; A603-T606 PolarHBondContact O-OG1 2.93Å
604	H	95.9	Very high	90.1	Very high	107 Å²	107	53.8 Å²	53.8	50%	0.495	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61	-23	175	68.7	-83.9	0	0	0	113.5	V602 T606 Q607	V602-H604 PolarHBondContact O-N 3.02Å; V602-H604 VanDerWaalsContact O-N 3.16Å; H604-T606 PolarHBondContact O-N 2.82Å; H604-Q607 PolarHBondContact O-N 2.89Å
605	L	96.4	Very high	87.5	Confident	16 Å²	16	60 Å²	60	8%	0.084	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-76.6	-7.9	176.9	-57.2	-178.8	0	0	0	113.6	M85 I91 K94 L98 V602 A603	M85-L605 HydrophobicContact CE-CD2 4.37Å; I91-L605 HydrophobicContact CG2-CB 4.5Å; K94-L605 HydrophobicContact CB-CB 4.23Å; K94-L605 HydrophobicContact CB-CD1 3.88Å; K94-L605 HydrophobicContact CD-CB 4.14Å; K94-L605 VanDerWaalsContact CD-O 3.31Å; K94-L605 WeakPolarHBondContact CD-O 3.41Å; K94-L605 PolarHBondContact NZ-O 2.83Å; L98-L605 HydrophobicContact CD1-CD1 4.24Å; L98-L605 HydrophobicContact CD1-CD2 3.89Å; V602-L605 HydrophobicContact CB-CD1 3.92Å; V602-L605 HydrophobicContact CB-CG 4.31Å; V602-L605 HydrophobicContact CG1-CD1 4.23Å; V602-L605 WeakPolarHBondContact O-CB 3.48Å; V602-L605 PolarHBondContact O-N 2.85Å; A603-L605 PolarHBondContact O-N 2.93Å
606	T	94.6	Very high	84.6	Confident	66 Å²	66	67.6 Å²	67.6	41%	0.405	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-73.8	-18.7	170.4	66.1	0	0	0	0	112.3	I91 W507 A603 H604	I91-T606 HydrophobicContact CD1-CG2 3.8Å; I91-T606 HydrophobicContact CG1-CG2 4.12Å; W507-T606 HydrophobicContact CD2-CG2 4.15Å; W507-T606 HydrophobicContact CG-CG2 4.17Å; A603-T606 WeakPolarHBondContact O-CB 3.46Å; A603-T606 WeakPolarHBondContact O-CG2 3.28Å; A603-T606 PolarHBondContact O-N 3.46Å; A603-T606 VanDerWaalsContact O-N 3.08Å; A603-T606 PolarHBondContact O-OG1 2.93Å; H604-T606 PolarHBondContact O-N 2.82Å
607	Q	93.8	Very high	81.7	Confident	142 Å²	142	78.3 Å²	78.3	66%	0.664	43%	0.432	S	S	*	.	S	Bend	trans	-81	137.2	177.7	-59.2	179.2	28.7	0	0	110	H604	H604-Q607 PolarHBondContact O-N 2.89Å
608	S	90.4	Very high	78.7	Confident	73 Å²	73	84 Å²	84	51%	0.51	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-60.8	140	174.8	-50	0	0	0	0	111.2	D87	D87-S608 VanDerWaalsContact CG-OG 3.23Å; D87-S608 VanDerWaalsContact OD1-CA 3.25Å; D87-S608 WeakPolarHBondContact OD1-CA 3.47Å; D87-S608 WeakPolarHBondContact OD1-CB 3.01Å; D87-S608 PolarHBondContact OD1-OG 3.12Å; D87-S608 WeakPolarHBondContact OD2-CB 3.48Å; D87-S608 PolarHBondContact OD2-OG 2.83Å
609	Q	88.8	Confident	75.6	Confident	34 Å²	34	89.4 Å²	89.4	16%	0.159	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-67.1	140.1	175.1	-69.6	-167.7	-22.1	0	0	110.5	Y84 M85 V611	Y84-Q609 HydrophobicContact CD2-CB 4.13Å; Y84-Q609 HydrophobicContact CE2-CB 3.67Å; Y84-Q609 PolarHBondContact OH-O 3.19Å; M85-Q609 VanDerWaalsContact CE-NE2 3.29Å; Q609-V611 PolarHBondContact O-N 2.93Å
610	P	86	Confident	72.5	Confident	115 Å²	115	96 Å²	96	75%	0.747	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-66.2	128.6	-179.6	26.9	-33.2	0	0	0	110.2
611	V	81.9	Confident	69.4	Low	93 Å²	93	98 Å²	98	56%	0.564	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-79.1	135.5	172.3	-177.9	0	0	0	0	108.8	Y84 W115 Q609 S613	Y84-V611 HydrophobicContact CE2-CG2 4.37Å; W115-V611 HydrophobicContact CZ3-CG1 4.19Å; Q609-V611 PolarHBondContact O-N 2.93Å; V611-S613 PolarHBondContact O-N 2.79Å
612	P	78.1	Confident	66.6	Low	31 Å²	31	102.9 Å²	102.9	20%	0.201	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-54.3	131.1	175.2	-22.5	32	0	0	0	110.5	W115 G117 T614	W115-P612 HydrophobicContact CD2-CG 4.08Å; W115-P612 HydrophobicContact CE3-CG 3.96Å; W115-P612 HydrophobicContact CH2-CG 4.2Å; W115-P612 HydrophobicContact CZ2-CG 4.3Å; W115-P612 VanDerWaalsContact CZ3-CD 3.45Å; W115-P612 HydrophobicContact CZ3-CG 4.03Å; G117-P612 VanDerWaalsContact N-CG 3.32Å; P612-T614 PolarHBondContact O-N 2.88Å; P612-T614 VanDerWaalsContact O-N 3.08Å
613	S	63.9	Low	63.3	Low	112 Å²	112	107.5 Å²	107.5	78%	0.783	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-61.8	116.1	177.1	-67.1	0	0	0	0	109.5	V611 T615	V611-S613 PolarHBondContact O-N 2.79Å; S613-T615 PolarHBondContact O-N 2.98Å
614	T	50.6	Low	60.3	Low	138 Å²	138	111.8 Å²	111.8	85%	0.847	65%	0.645	S	S	*	*			trans	-64.5	82.4	170.3	43.1	0	0	0	0	109.3	P612 L616	P612-T614 PolarHBondContact O-N 2.88Å; P612-T614 VanDerWaalsContact O-N 3.08Å; T614-L616 PolarHBondContact O-N 3Å; T614-L616 VanDerWaalsContact O-N 3.17Å
615	T	42.7	Very low	57.1	Low	131 Å²	131	113.4 Å²	113.4	80%	0.804	66%	0.662	S	S	*	*			trans	-71.1	108.1	159.9	5.2	0	0	0	0	105.7	S613 R617	S613-T615 PolarHBondContact O-N 2.98Å; T615-R617 PolarHBondContact O-N 2.9Å; T615-R617 VanDerWaalsContact O-N 3.11Å
616	L	38.4	Very low	54	Low	160 Å²	160	118.3 Å²	118.3	84%	0.838	69%	0.693	S	S	*	*			trans	-39.4	120.3	165.5	-79.2	152.7	0	0	0	108.4	T614 P618	T614-L616 PolarHBondContact O-N 3Å; T614-L616 VanDerWaalsContact O-N 3.17Å; L616-P618 WeakPolarHBondContact O-CD 3.22Å
617	R	37.2	Very low	51	Low	236 Å²	236	122 Å²	122	89%	0.891	71%	0.71	S	S	*	*			trans	-45.6	119.8	164.9	-88.6	-179	173.3	-172.2	-0.3	106.9	T615 T619	T615-R617 PolarHBondContact O-N 2.9Å; T615-R617 VanDerWaalsContact O-N 3.11Å; R617-T619 PolarHBondContact O-N 3.02Å
618	P	34.3	Very low	48.2	Very low	121 Å²	121	119.7 Å²	119.7	79%	0.786	72%	0.716	S	S	*	*			trans	-62.5	115.4	178.6	-18.3	29.8	0	0	0	108.1	L616 T620	L616-P618 WeakPolarHBondContact O-CD 3.22Å; P618-T620 PolarHBondContact O-N 2.89Å; P618-T620 VanDerWaalsContact O-N 3.12Å
619	T	31	Very low	46.2	Very low	134 Å²	134	121.3 Å²	121.3	82%	0.822	73%	0.727	S	S	*	*			trans	-54.8	115.7	160	-13.6	0	0	0	0	106.1	R617 S621	R617-T619 PolarHBondContact O-N 3.02Å; T619-S621 PolarHBondContact O-N 2.82Å
620	T	33.3	Very low	44.9	Very low	140 Å²	140	124.2 Å²	124.2	86%	0.859	74%	0.743	S	S	*	*			trans	-58.6	95.2	176.7	32.5	0	0	0	0	110	P618	P618-T620 PolarHBondContact O-N 2.89Å; P618-T620 VanDerWaalsContact O-N 3.12Å
621	S	28.9	Very low	44	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	73%	0.728	S	S	*	*			trans	-92.7	115.7	155.4	53.7	0	0	0	0	107.7	T619 S623	T619-S621 PolarHBondContact O-N 2.82Å; S621-S623 PolarHBondContact O-N 2.81Å
622	I	39.1	Very low	43.6	Very low	163 Å²	163	119.4 Å²	119.4	84%	0.836	71%	0.709	S	S	*	*			trans	-62	116.5	174.2	-65.5	165.1	0	0	0	107.6
623	S	28.2	Very low	43.2	Very low	107 Å²	107	124.2 Å²	124.2	75%	0.748	73%	0.729	S	S	*	*			trans	-134.5	109.7	161.9	-174.7	0	0	0	0	108.8	S621	S621-S623 PolarHBondContact O-N 2.81Å
624	T	33.4	Very low	43.6	Very low	120 Å²	120	126.6 Å²	126.6	74%	0.736	73%	0.733	S	S	*	*			trans	-73.1	120.8	172.8	41.6	0	0	0	0	110.7
625	T	28.5	Very low	44.8	Very low	140 Å²	140	122.3 Å²	122.3	86%	0.859	71%	0.707	S	S	*	*			trans	-150.5	122.6	145.2	35.1	0	0	0	0	110.9
626	T	31.7	Very low	46.6	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	71%	0.705	S	S	*	*			trans	-82.6	132.1	-177.8	42.1	0	0	0	0	112.7
627	N	31	Very low	48.7	Very low	144 Å²	144	116.4 Å²	116.4	77%	0.77	67%	0.671	S	S	*	*				142.9	95	121.6	-79.2	-23.2	0	0	0	114
628	A	34.7	Very low	50.9	Low	94 Å²	94	109.6 Å²	109.6	78%	0.777	65%	0.65	S	S	*	*	S	Bend		-118.9	133	125.7	0	0	0	0	0	105.4	D630	A628-D630 PolarHBondContact O-N 2.87Å
629	S	48.9	Very low	53.3	Low	107 Å²	107	107.4 Å²	107.4	75%	0.748	63%	0.631	S	S	*	*			trans	-53.6	103	-175.8	52.7	0	0	0	0	111	I631	S629-I631 PolarHBondContact O-N 3.31Å; S629-I631 VanDerWaalsContact O-N 3.13Å
630	D	61.4	Low	55.5	Low	94 Å²	94	103.6 Å²	103.6	50%	0.503	62%	0.619	S	S	.	*			trans	-72.3	105.1	179.1	-174.1	0.4	0	0	0	108	A628 C632 Q633	A628-D630 PolarHBondContact O-N 2.87Å; D630-C632 PolarHBondContact O-N 2.9Å; D630-C632 PolarHBondContact OD1-N 3.24Å; D630-Q633 HydrophobicContact CB-CG 3.98Å; D630-Q633 WeakPolarHBondContact O-CB 3.49Å; D630-Q633 PolarHBondContact O-N 2.72Å
631	I	66.8	Low	57.9	Low	81 Å²	81	97.6 Å²	97.6	42%	0.415	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.1	-18.8	-175.3	-65.9	171.3	0	0	0	111.2	S629 P650	S629-I631 PolarHBondContact O-N 3.31Å; S629-I631 VanDerWaalsContact O-N 3.13Å; I631-P650 HydrophobicContact CG2-CB 3.91Å; I631-P650 HydrophobicContact CG2-CG 4.17Å; I631-P650 WeakPolarHBondContact O-CB 3.33Å
632	C	72.6	Confident	60.5	Low	26 Å²	26	98 Å²	98	18%	0.176	58%	0.577	C	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	4	-178.5	-72.9	0	0	0	0	115.9	D630 N634 V635 C643	D630-C632 PolarHBondContact O-N 2.9Å; D630-C632 PolarHBondContact OD1-N 3.24Å; C632-N634 PolarHBondContact O-N 2.82Å; C632-V635 PolarHBondContact O-N 2.88Å; C632-C643 VanDerWaalsContact CA-SG 3.57Å; C632-C643 HydrophobicContact CB-CB 3.6Å; C632-C643 WeakPolarHBondContact CB-SG 3.42Å; C632-C643 WeakPolarHBondContact SG-CB 3.22Å; C632-C643 PolarHBondContact SG-O 3.48Å; C632-C643 CovalentContact SG-SG 2.04Å; C632-C643 PolarHBondContact SG-SG 3.22Å
633	Q	71.7	Confident	62.5	Low	133 Å²	133	91.6 Å²	91.6	62%	0.621	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.6	-174.3	-109.2	173.4	7.4	0	0	115.3	D630	D630-Q633 HydrophobicContact CB-CG 3.98Å; D630-Q633 WeakPolarHBondContact O-CB 3.49Å; D630-Q633 PolarHBondContact O-N 2.72Å
634	N	71.8	Confident	65.1	Low	162 Å²	162	89 Å²	89	87%	0.866	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	13.8	-178.1	-67.4	-37	0	0	0	113.6	C632	C632-N634 PolarHBondContact O-N 2.82Å
635	V	75.4	Confident	67.3	Low	48 Å²	48	85.6 Å²	85.6	29%	0.291	52%	0.515	S	S	.	.			trans	-112.9	103.4	-179	179.9	0	0	0	0	110.2	C632 P650	C632-V635 PolarHBondContact O-N 2.88Å; V635-P650 HydrophobicContact CB-CB 4.25Å; V635-P650 HydrophobicContact CG2-CB 3.67Å; V635-P650 HydrophobicContact CG2-CG 3.73Å
636	L	80.3	Confident	69.2	Low	148 Å²	148	82.4 Å²	82.4	78%	0.775	49%	0.493	S	S	*	.			trans	-88.7	107.9	176.5	-170.8	72.7	0	0	0	110.3
637	C	82.4	Confident	70.9	Confident	19 Å²	19	86 Å²	86	13%	0.128	50%	0.501	C	S	.	.			trans	-81.2	131.7	170.8	-55.5	0	0	0	0	110	G641 C643 C652	C637-G641 VanDerWaalsContact CB-C 3.49Å; C637-G641 WeakPolarHBondContact CB-O 3.42Å; C637-C643 VanDerWaalsContact SG-CA 3.59Å; C637-C643 PolarHBondContact SG-N 2.97Å; C637-C643 VanDerWaalsContact SG-N 3.41Å; C637-C652 WeakPolarHBondContact CA-SG 3Å; C637-C652 HydrophobicContact CB-CB 3.8Å; C637-C652 WeakPolarHBondContact CB-SG 3.14Å; C637-C652 WeakPolarHBondContact SG-CA 3.48Å; C637-C652 WeakPolarHBondContact SG-CB 3.36Å; C637-C652 CovalentContact SG-SG 2.03Å; C637-C652 PolarHBondContact SG-SG 2.61Å
638	Q	83.7	Confident	72.7	Confident	93 Å²	93	82 Å²	82	44%	0.435	49%	0.494	S	S	.	.	S	Bend	trans	-87	166.4	-178.7	-60.3	-175.7	1.4	0	0	111.2	G640 G641 V666 C667	Q638-G640 VanDerWaalsContact C-N 3.26Å; Q638-G640 PolarHBondContact O-N 2.9Å; Q638-G640 VanDerWaalsContact O-N 3.15Å; Q638-G641 PolarHBondContact O-N 2.86Å; Q638-V666 WeakPolarHBondContact CB-O 3.18Å; Q638-V666 HydrophobicContact CG-CG2 4.46Å; Q638-V666 PolarHBondContact N-O 3.27Å; Q638-C667 WeakPolarHBondContact O-CB 3.41Å
639	N	85.1	Confident	74.5	Confident	75 Å²	75	85.1 Å²	85.1	40%	0.401	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.9	171.2	-57	-46.8	0	0	0	115	G641 Y662 C667	N639-G641 VanDerWaalsContact C-N 3.29Å; N639-G641 PolarHBondContact O-N 2.85Å; N639-Y662 HydrophobicContact CB-CD1 3.71Å; N639-Y662 HydrophobicContact CB-CD2 3.64Å; N639-Y662 HydrophobicContact CB-CE1 3.7Å; N639-Y662 HydrophobicContact CB-CE2 3.65Å; N639-Y662 HydrophobicContact CB-CG 3.71Å; N639-C667 PolarHBondContact ND2-O 2.82Å
640	G	77.3	Confident	76.1	Confident	54 Å²	54	82.8 Å²	82.8	56%	0.557	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	9.3	179.4	0	0	0	0	0	114.8	Q638 V655	Q638-G640 VanDerWaalsContact C-N 3.26Å; Q638-G640 PolarHBondContact O-N 2.9Å; Q638-G640 VanDerWaalsContact O-N 3.15Å; G640-V655 WeakPolarHBondContact O-CG2 3.42Å
641	G	83.9	Confident	77.3	Confident	13 Å²	13	80.6 Å²	80.6	13%	0.134	46%	0.464	C	S	.	.			trans	-62.6	149.9	172.5	0	0	0	0	0	112.2	C637 Q638 N639 R653	C637-G641 VanDerWaalsContact CB-C 3.49Å; C637-G641 WeakPolarHBondContact CB-O 3.42Å; Q638-G641 PolarHBondContact O-N 2.86Å; N639-G641 VanDerWaalsContact C-N 3.29Å; N639-G641 PolarHBondContact O-N 2.85Å; G641-R653 CarbonylContact C-O 3.54Å; G641-R653 WeakPolarHBondContact CA-O 3.4Å
642	I	83.1	Confident	78.2	Confident	118 Å²	118	77.3 Å²	77.3	61%	0.605	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.9	-178.3	-57.4	174.1	0	0	0	108.7	V644 R653	I642-V644 HydrophobicContact CG2-CG1 4.38Å; I642-R653 PolarHBondContact N-O 3.15Å; I642-R653 PolarHBondContact O-N 3.08Å
643	C	81.7	Confident	79	Confident	28 Å²	28	82.7 Å²	82.7	19%	0.189	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.5	174.1	-178	0	0	0	0	109.9	C632 C637	C632-C643 VanDerWaalsContact CA-SG 3.57Å; C632-C643 HydrophobicContact CB-CB 3.6Å; C632-C643 WeakPolarHBondContact CB-SG 3.42Å; C632-C643 WeakPolarHBondContact SG-CB 3.22Å; C632-C643 PolarHBondContact SG-O 3.48Å; C632-C643 CovalentContact SG-SG 2.04Å; C632-C643 PolarHBondContact SG-SG 3.22Å; C637-C643 VanDerWaalsContact SG-CA 3.59Å; C637-C643 PolarHBondContact SG-N 2.97Å; C637-C643 VanDerWaalsContact SG-N 3.41Å
644	V	82.6	Confident	79.9	Confident	52 Å²	52	78 Å²	78	32%	0.315	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150	174.2	-57.6	0	0	0	0	109.9	I642 D646 S651 R653	I642-V644 HydrophobicContact CG2-CG1 4.38Å; V644-D646 PolarHBondContact O-N 2.77Å; V644-S651 PolarHBondContact N-O 2.93Å; V644-S651 PolarHBondContact O-N 3.24Å; V644-R653 HydrophobicContact CG1-CG 4.23Å; V644-R653 HydrophobicContact CG2-CG 3.54Å
645	G	79.1	Confident	80.5	Confident	50 Å²	50	73 Å²	73	52%	0.515	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	112.2	170.6	0	0	0	0	0	110.4
646	D	68.2	Low	80.9	Confident	73 Å²	73	75.9 Å²	75.9	39%	0.39	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.9	173.6	-164.2	1.1	0	0	0	108.6	V644 G648 K649 R653	V644-D646 PolarHBondContact O-N 2.77Å; D646-G648 PolarHBondContact O-N 3.13Å; D646-G648 VanDerWaalsContact O-N 3.11Å; D646-K649 PolarHBondContact N-O 3.16Å; D646-K649 PolarHBondContact O-N 2.95Å; D646-R653 IonicContact OD2-NH2 3.26Å; D646-R653 PolarHBondContact OD2-NH2 2.81Å
647	Q	66.9	Low	80.9	Confident	195 Å²	195	70 Å²	70	91%	0.911	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	38.5	-174.2	-57.7	-172.8	-2.3	0	0	114.4
648	G	68.9	Low	80.5	Confident	60 Å²	60	77.2 Å²	77.2	62%	0.619	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	9.1	178	0	0	0	0	0	115.6	D646	D646-G648 PolarHBondContact O-N 3.13Å; D646-G648 VanDerWaalsContact O-N 3.11Å
649	K	73.8	Confident	80.3	Confident	159 Å²	159	77.8 Å²	77.8	69%	0.691	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.1	172.2	-67.3	178.5	-178.6	174.5	0	111	D646	D646-K649 PolarHBondContact N-O 3.16Å; D646-K649 PolarHBondContact O-N 2.95Å
650	P	81.9	Confident	80.2	Confident	58 Å²	58	78.2 Å²	78.2	38%	0.377	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.9	176.1	25.9	-28.6	0	0	0	111.1	I631 V635	I631-P650 HydrophobicContact CG2-CB 3.91Å; I631-P650 HydrophobicContact CG2-CG 4.17Å; I631-P650 WeakPolarHBondContact O-CB 3.33Å; V635-P650 HydrophobicContact CB-CB 4.25Å; V635-P650 HydrophobicContact CG2-CB 3.67Å; V635-P650 HydrophobicContact CG2-CG 3.73Å
651	S	85.6	Confident	80.8	Confident	48 Å²	48	79 Å²	79	34%	0.336	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.1	176.9	-173.2	0	0	0	0	110.9	V644	V644-S651 PolarHBondContact N-O 2.93Å; V644-S651 PolarHBondContact O-N 3.24Å
652	C	87.4	Confident	81	Confident	12 Å²	12	80.6 Å²	80.6	8%	0.081	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.7	178.4	-70.3	0	0	0	0	111.3	C637	C637-C652 WeakPolarHBondContact CA-SG 3Å; C637-C652 HydrophobicContact CB-CB 3.8Å; C637-C652 WeakPolarHBondContact CB-SG 3.14Å; C637-C652 WeakPolarHBondContact SG-CA 3.48Å; C637-C652 WeakPolarHBondContact SG-CB 3.36Å; C637-C652 CovalentContact SG-SG 2.03Å; C637-C652 PolarHBondContact SG-SG 2.61Å
653	R	89.1	Confident	81.1	Confident	138 Å²	138	80.6 Å²	80.6	52%	0.521	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.6	168.5	-64.5	-68.2	-179.1	-170.5	-6.4	109	G641 I642 V644 D646	G641-R653 CarbonylContact C-O 3.54Å; G641-R653 WeakPolarHBondContact CA-O 3.4Å; I642-R653 PolarHBondContact N-O 3.15Å; I642-R653 PolarHBondContact O-N 3.08Å; V644-R653 HydrophobicContact CG1-CG 4.23Å; V644-R653 HydrophobicContact CG2-CG 3.54Å; D646-R653 IonicContact OD2-NH2 3.26Å; D646-R653 PolarHBondContact OD2-NH2 2.81Å
654	C	90.3	Very high	81.2	Confident	34 Å²	34	80.6 Å²	80.6	23%	0.23	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-88.4	147	-172.9	-52	0	0	0	0	112.5	Y662 C667	C654-Y662 WeakPolarHBondContact CB-O 3.17Å; C654-C667 WeakPolarHBondContact CA-SG 3.37Å; C654-C667 HydrophobicContact CB-CB 3.71Å; C654-C667 WeakPolarHBondContact CB-SG 3.48Å; C654-C667 WeakPolarHBondContact SG-CA 3.33Å; C654-C667 WeakPolarHBondContact SG-CB 3.35Å; C654-C667 CovalentContact SG-SG 2.03Å; C654-C667 PolarHBondContact SG-SG 2.84Å
655	V	84.4	Confident	81.1	Confident	58 Å²	58	85.2 Å²	85.2	35%	0.352	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-71.6	137.5	179.2	-175.8	0	0	0	0	110.5	G640 W660 Y662	G640-V655 WeakPolarHBondContact O-CG2 3.42Å; V655-W660 HydrophobicContact CG1-CH2 4.07Å; V655-W660 HydrophobicContact CG1-CZ3 4.45Å; V655-Y662 HydrophobicContact CB-CD2 4.5Å; V655-Y662 PolarHBondContact O-N 3.16Å
656	V	84.1	Confident	81.6	Confident	108 Å²	108	85.1 Å²	85.1	66%	0.655	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.7	177.4	-178	0	0	0	0	108.5	W661	V656-W661 HydrophobicContact CB-CB 4.33Å; V656-W661 HydrophobicContact CG1-CB 4.09Å; V656-W661 HydrophobicContact CG2-CB 3.93Å
657	G	80.2	Confident	82.6	Confident	25 Å²	25	81.6 Å²	81.6	26%	0.258	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	180	169.2	0	0	0	0	0	111.2	D659 W660	G657-D659 VanDerWaalsContact C-N 3.32Å; G657-D659 PolarHBondContact O-N 2.99Å; G657-W660 CarbonylContact C-O 3.56Å; G657-W660 PolarHBondContact N-O 2.86Å; G657-W660 VanDerWaalsContact O-O 3.07Å
658	N	73.6	Confident	83.5	Confident	171 Å²	171	75.5 Å²	75.5	91%	0.914	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.6	-172.1	-67.7	-17.6	0	0	0	114.3
659	D	78.5	Confident	84.1	Confident	105 Å²	105	76.9 Å²	76.9	56%	0.561	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	15.6	-177.5	-79	-49.4	0	0	0	113.9	G657 S672 T673	G657-D659 VanDerWaalsContact C-N 3.32Å; G657-D659 PolarHBondContact O-N 2.99Å; D659-S672 VanDerWaalsContact O-CA 3.3Å; D659-S672 WeakPolarHBondContact O-CA 3.3Å; D659-S672 WeakPolarHBondContact O-CB 3.47Å; D659-S672 PolarHBondContact O-OG 2.89Å; D659-T673 WeakPolarHBondContact CA-OG1 3.37Å; D659-T673 PolarHBondContact O-N 3.17Å; D659-T673 PolarHBondContact O-OG1 2.85Å; D659-T673 PolarHBondContact OD1-OG1 2.81Å; D659-T673 VanDerWaalsContact OD1-OG1 3.06Å
660	W	84.4	Confident	84.6	Confident	84 Å²	84	74.9 Å²	74.9	32%	0.318	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	155.1	177.1	63.1	-90.9	0	0	0	111.8	V655 G657 Y662 G671	V655-W660 HydrophobicContact CG1-CH2 4.07Å; V655-W660 HydrophobicContact CG1-CZ3 4.45Å; G657-W660 CarbonylContact C-O 3.56Å; G657-W660 PolarHBondContact N-O 2.86Å; G657-W660 VanDerWaalsContact O-O 3.07Å; W660-Y662 HydrophobicContact CE3-CD2 4.11Å; W660-Y662 AromaticContact CE3-CE2 3.9Å; W660-Y662 HydrophobicContact CE3-CE2 3.9Å; W660-Y662 HydrophobicContact CH2-CD2 4.26Å; W660-Y662 AromaticContact CH2-CE2 3.77Å; W660-Y662 HydrophobicContact CH2-CE2 3.77Å; W660-Y662 AromaticContact CZ3-CD2 3.37Å; W660-Y662 HydrophobicContact CZ3-CD2 3.37Å; W660-Y662 AromaticContact CZ3-CE2 3.15Å; W660-Y662 HydrophobicContact CZ3-CE2 3.15Å; W660-Y662 HydrophobicContact CZ3-CG 4.38Å; W660-G671 CarbonylContact C-O 3.46Å; W660-G671 WeakPolarHBondContact CA-O 3.48Å; W660-G671 VanDerWaalsContact CB-O 3.28Å; W660-G671 WeakPolarHBondContact CB-O 3.32Å
661	W	88.6	Confident	84.5	Confident	70 Å²	70	72.5 Å²	72.5	27%	0.265	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.9	174.9	59.6	94.3	0	0	0	110.7	V656 Y663 K670 G671 K676	V656-W661 HydrophobicContact CB-CB 4.33Å; V656-W661 HydrophobicContact CG1-CB 4.09Å; V656-W661 HydrophobicContact CG2-CB 3.93Å; W661-Y663 AromaticContact CD1-CD1 3.94Å; W661-Y663 AromaticContact NE1-CD1 3.81Å; W661-K670 CarbonylContact O-C 3.55Å; W661-K670 WeakPolarHBondContact O-CA 3.47Å; W661-G671 PolarHBondContact N-O 2.77Å; W661-G671 PolarHBondContact O-N 3.34Å; W661-K676 HydrophobicContact CH2-CD 4.15Å
662	Y	89.1	Confident	84.3	Confident	47 Å²	47	71.6 Å²	71.6	18%	0.184	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147.2	164.4	-66.6	-72.8	0	0	0	110.5	N639 C654 V655 W660 H669 K670	N639-Y662 HydrophobicContact CB-CD1 3.71Å; N639-Y662 HydrophobicContact CB-CD2 3.64Å; N639-Y662 HydrophobicContact CB-CE1 3.7Å; N639-Y662 HydrophobicContact CB-CE2 3.65Å; N639-Y662 HydrophobicContact CB-CG 3.71Å; C654-Y662 WeakPolarHBondContact CB-O 3.17Å; V655-Y662 HydrophobicContact CB-CD2 4.5Å; V655-Y662 PolarHBondContact O-N 3.16Å; W660-Y662 HydrophobicContact CE3-CD2 4.11Å; W660-Y662 AromaticContact CE3-CE2 3.9Å; W660-Y662 HydrophobicContact CE3-CE2 3.9Å; W660-Y662 HydrophobicContact CH2-CD2 4.26Å; W660-Y662 AromaticContact CH2-CE2 3.77Å; W660-Y662 HydrophobicContact CH2-CE2 3.77Å; W660-Y662 AromaticContact CZ3-CD2 3.37Å; W660-Y662 HydrophobicContact CZ3-CD2 3.37Å; W660-Y662 AromaticContact CZ3-CE2 3.15Å; W660-Y662 HydrophobicContact CZ3-CE2 3.15Å; W660-Y662 HydrophobicContact CZ3-CG 4.38Å; Y662-H669 CarbonylContact C-O 3.56Å; Y662-H669 WeakPolarHBondContact CA-O 3.27Å; Y662-H669 WeakPolarHBondContact CD1-O 3.18Å; Y662-K670 HydrophobicContact CD1-CB 3.74Å; Y662-K670 HydrophobicContact CD1-CG 3.97Å; Y662-K670 HydrophobicContact CE1-CB 3.54Å; Y662-K670 HydrophobicContact CE1-CD 3.79Å; Y662-K670 HydrophobicContact CE1-CG 3.6Å
663	Y	85.2	Confident	83.3	Confident	118 Å²	118	74 Å²	74	46%	0.463	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	170.9	179.6	71.1	-80.9	0	0	0	111.6	W661 C667 Q668 H669	W661-Y663 AromaticContact CD1-CD1 3.94Å; W661-Y663 AromaticContact NE1-CD1 3.81Å; Y663-C667 CarbonylContact O-C 3.39Å; Y663-Q668 PolarHBondContact O-N 2.85Å; Y663-H669 HydrophobicContact CD1-CB 3.9Å; Y663-H669 WeakPolarHBondContact CD1-O 2.95Å; Y663-H669 HydrophobicContact CD2-CB 4.16Å; Y663-H669 HydrophobicContact CE1-CB 3.56Å; Y663-H669 HydrophobicContact CE2-CB 3.84Å; Y663-H669 HydrophobicContact CG-CB 4.18Å; Y663-H669 PolarHBondContact N-O 2.81Å; Y663-H669 WeakPolarHBondContact O-CB 3.4Å; Y663-H669 PolarHBondContact O-N 2.87Å
664	G	82.9	Confident	82	Confident	28 Å²	28	74.5 Å²	74.5	29%	0.289	39%	0.389	S	S	.	.	S	Bend	trans	100.2	165.8	-172.2	0	0	0	0	0	112.1	V666 C667	G664-V666 PolarHBondContact O-N 3.18Å; G664-C667 PolarHBondContact O-N 2.92Å
665	N	81.8	Confident	80.5	Confident	149 Å²	149	77.9 Å²	77.9	80%	0.797	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.5	-168.7	-60.4	-11.6	0	0	0	114.3
666	V	88.6	Confident	79.2	Confident	47 Å²	47	81.5 Å²	81.5	29%	0.285	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	22.7	174.3	-61.4	0	0	0	0	112.3	Q638 G664 Q668	Q638-V666 WeakPolarHBondContact CB-O 3.18Å; Q638-V666 HydrophobicContact CG-CG2 4.46Å; Q638-V666 PolarHBondContact N-O 3.27Å; G664-V666 PolarHBondContact O-N 3.18Å; V666-Q668 VanDerWaalsContact C-N 3.29Å; V666-Q668 HydrophobicContact CG2-CB 4.1Å; V666-Q668 HydrophobicContact CG2-CG 4.44Å; V666-Q668 VanDerWaalsContact CG2-OE1 3.22Å; V666-Q668 PolarHBondContact O-N 2.81Å
667	C	89.8	Confident	77.8	Confident	0 Å²	0	80 Å²	80	0%	0	41%	0.407	C	S	.	.	S	Bend	trans	62.7	29.3	-178.1	-49.6	0	0	0	0	114.9	Q638 N639 C654 Y663 G664 H669	Q638-C667 WeakPolarHBondContact O-CB 3.41Å; N639-C667 PolarHBondContact ND2-O 2.82Å; C654-C667 WeakPolarHBondContact CA-SG 3.37Å; C654-C667 HydrophobicContact CB-CB 3.71Å; C654-C667 WeakPolarHBondContact CB-SG 3.48Å; C654-C667 WeakPolarHBondContact SG-CA 3.33Å; C654-C667 WeakPolarHBondContact SG-CB 3.35Å; C654-C667 CovalentContact SG-SG 2.03Å; C654-C667 PolarHBondContact SG-SG 2.84Å; Y663-C667 CarbonylContact O-C 3.39Å; G664-C667 PolarHBondContact O-N 2.92Å; C667-H669 PolarHBondContact O-N 3.43Å
668	Q	85.8	Confident	76.6	Confident	66 Å²	66	83 Å²	83	31%	0.308	42%	0.42	S	S	.	.			trans	-77.3	-16.2	-174	70.6	-80.3	8.9	0	0	114.7	Y663 V666	Y663-Q668 PolarHBondContact O-N 2.85Å; V666-Q668 VanDerWaalsContact C-N 3.29Å; V666-Q668 HydrophobicContact CG2-CB 4.1Å; V666-Q668 HydrophobicContact CG2-CG 4.44Å; V666-Q668 VanDerWaalsContact CG2-OE1 3.22Å; V666-Q668 PolarHBondContact O-N 2.81Å
669	H	80.9	Confident	75.6	Confident	90 Å²	90	81.4 Å²	81.4	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.6	-177.2	-57.1	-60.1	0	0	0	111	Y662 Y663 C667	Y662-H669 CarbonylContact C-O 3.56Å; Y662-H669 WeakPolarHBondContact CA-O 3.27Å; Y662-H669 WeakPolarHBondContact CD1-O 3.18Å; Y663-H669 HydrophobicContact CD1-CB 3.9Å; Y663-H669 WeakPolarHBondContact CD1-O 2.95Å; Y663-H669 HydrophobicContact CD2-CB 4.16Å; Y663-H669 HydrophobicContact CE1-CB 3.56Å; Y663-H669 HydrophobicContact CE2-CB 3.84Å; Y663-H669 HydrophobicContact CG-CB 4.18Å; Y663-H669 PolarHBondContact N-O 2.81Å; Y663-H669 WeakPolarHBondContact O-CB 3.4Å; Y663-H669 PolarHBondContact O-N 2.87Å; C667-H669 PolarHBondContact O-N 3.43Å
670	K	85	Confident	74.5	Confident	116 Å²	116	78.8 Å²	78.8	50%	0.504	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.7	173.2	-163.5	177.4	179.9	179.5	0	109.4	W661 Y662	W661-K670 CarbonylContact O-C 3.55Å; W661-K670 WeakPolarHBondContact O-CA 3.47Å; Y662-K670 HydrophobicContact CD1-CB 3.74Å; Y662-K670 HydrophobicContact CD1-CG 3.97Å; Y662-K670 HydrophobicContact CE1-CB 3.54Å; Y662-K670 HydrophobicContact CE1-CD 3.79Å; Y662-K670 HydrophobicContact CE1-CG 3.6Å
671	G	78.9	Confident	73.1	Confident	8 Å²	8	80 Å²	80	8%	0.082	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.7	168.6	0	0	0	0	0	110.2	W660 W661	W660-G671 CarbonylContact C-O 3.46Å; W660-G671 WeakPolarHBondContact CA-O 3.48Å; W660-G671 VanDerWaalsContact CB-O 3.28Å; W660-G671 WeakPolarHBondContact CB-O 3.32Å; W661-G671 PolarHBondContact N-O 2.77Å; W661-G671 PolarHBondContact O-N 3.34Å
672	S	81.3	Confident	71.6	Confident	30 Å²	30	79.1 Å²	79.1	21%	0.21	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154	170.6	178.2	0	0	0	0	110.4	D659 Q674 D675	D659-S672 VanDerWaalsContact O-CA 3.3Å; D659-S672 WeakPolarHBondContact O-CA 3.3Å; D659-S672 WeakPolarHBondContact O-CB 3.47Å; D659-S672 PolarHBondContact O-OG 2.89Å; S672-Q674 PolarHBondContact O-N 2.87Å; S672-Q674 PolarHBondContact OG-N 2.83Å; S672-D675 PolarHBondContact O-N 3.43Å; S672-D675 VanDerWaalsContact O-N 3.16Å
673	T	67.3	Low	70.3	Confident	63 Å²	63	80 Å²	80	39%	0.387	44%	0.437	S	S	.	.	H	α-helix	trans	-56.4	-30	172.9	-3	0	0	0	0	111.9	D659 K676 T677	D659-T673 WeakPolarHBondContact CA-OG1 3.37Å; D659-T673 PolarHBondContact O-N 3.17Å; D659-T673 PolarHBondContact O-OG1 2.85Å; D659-T673 PolarHBondContact OD1-OG1 2.81Å; D659-T673 VanDerWaalsContact OD1-OG1 3.06Å; T673-K676 PolarHBondContact O-N 2.69Å; T673-T677 PolarHBondContact O-N 3.18Å
674	Q	61.1	Low	69.3	Low	148 Å²	148	77.8 Å²	77.8	69%	0.692	44%	0.438	S	S	*	.	H	α-helix	trans	-69.8	-31.7	178.3	-143.7	175.1	12.7	0	0	113	S672 T677 T678	S672-Q674 PolarHBondContact O-N 2.87Å; S672-Q674 PolarHBondContact OG-N 2.83Å; Q674-T677 PolarHBondContact O-OG1 3.34Å; Q674-T678 PolarHBondContact O-N 2.76Å; Q674-T678 PolarHBondContact O-OG1 2.84Å
675	D	60.3	Low	68.5	Low	104 Å²	104	82.3 Å²	82.3	56%	0.556	46%	0.455	S	S	*	.	H	α-helix	trans	-73.8	-29	178	-71.1	-33	0	0	0	112.3	S672 L679	S672-D675 PolarHBondContact O-N 3.43Å; S672-D675 VanDerWaalsContact O-N 3.16Å; D675-L679 PolarHBondContact O-N 2.89Å
676	K	56	Low	67.9	Low	134 Å²	134	79 Å²	79	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-73.6	-34	176.1	-74.2	-174.2	176.8	174.7	0	112.3	W661 T673 A680	W661-K676 HydrophobicContact CH2-CD 4.15Å; T673-K676 PolarHBondContact O-N 2.69Å; K676-A680 VanDerWaalsContact O-CB 3.28Å; K676-A680 WeakPolarHBondContact O-CB 3.3Å; K676-A680 PolarHBondContact O-N 2.97Å
677	T	55.8	Low	67.3	Low	78 Å²	78	81.3 Å²	81.3	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-70.7	-37.3	177.5	50.7	0	0	0	0	111.7	T673 Q674 A680 L681	T673-T677 PolarHBondContact O-N 3.18Å; Q674-T677 PolarHBondContact O-OG1 3.34Å; T677-A680 PolarHBondContact O-N 3.13Å; T677-L681 WeakPolarHBondContact O-CB 3.45Å; T677-L681 WeakPolarHBondContact O-CD1 3.38Å; T677-L681 VanDerWaalsContact O-CG 3.25Å; T677-L681 WeakPolarHBondContact O-CG 3.23Å; T677-L681 PolarHBondContact O-N 2.82Å
678	T	54.4	Low	66.6	Low	87 Å²	87	86.7 Å²	86.7	53%	0.534	49%	0.486	S	S	.	.	H	α-helix	trans	-66.5	-39.5	175.9	-16	0	0	0	0	112.5	Q674 A682	Q674-T678 PolarHBondContact O-N 2.76Å; Q674-T678 PolarHBondContact O-OG1 2.84Å; T678-A682 PolarHBondContact O-N 2.83Å; T678-A682 VanDerWaalsContact O-N 3.08Å
679	L	52.3	Low	66.3	Low	138 Å²	138	85.3 Å²	85.3	72%	0.723	49%	0.489	S	S	*	.	H	α-helix	trans	-71.5	-37.3	177.4	-149.9	84.1	0	0	0	112.3	D675 A682 S683	D675-L679 PolarHBondContact O-N 2.89Å; L679-A682 PolarHBondContact O-N 2.95Å; L679-S683 PolarHBondContact O-N 3.02Å; L679-S683 VanDerWaalsContact O-N 3.11Å; L679-S683 PolarHBondContact O-OG 3.06Å
680	A	54.9	Low	66.2	Low	49 Å²	49	83.5 Å²	83.5	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-68.5	-35.8	174.8	0	0	0	0	0	112.3	K676 T677 S683 S684	K676-A680 VanDerWaalsContact O-CB 3.28Å; K676-A680 WeakPolarHBondContact O-CB 3.3Å; K676-A680 PolarHBondContact O-N 2.97Å; T677-A680 PolarHBondContact O-N 3.13Å; A680-S683 PolarHBondContact O-OG 2.79Å; A680-S684 VanDerWaalsContact O-CB 3.3Å; A680-S684 WeakPolarHBondContact O-CB 3.45Å; A680-S684 PolarHBondContact O-N 3.31Å; A680-S684 PolarHBondContact O-OG 2.79Å
681	L	55.8	Low	66	Low	110 Å²	110	83.4 Å²	83.4	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-67.3	-41.4	174.1	-78.9	163.7	0	0	0	111.8	T677 S684 L685	T677-L681 WeakPolarHBondContact O-CB 3.45Å; T677-L681 WeakPolarHBondContact O-CD1 3.38Å; T677-L681 VanDerWaalsContact O-CG 3.25Å; T677-L681 WeakPolarHBondContact O-CG 3.23Å; T677-L681 PolarHBondContact O-N 2.82Å; L681-S684 PolarHBondContact O-N 2.83Å; L681-L685 WeakPolarHBondContact O-CB 3.36Å; L681-L685 WeakPolarHBondContact O-CG 3.37Å; L681-L685 PolarHBondContact O-N 2.99Å
682	A	57.5	Low	66.2	Low	52 Å²	52	88 Å²	88	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-41.9	177.5	0	0	0	0	0	112.5	T678 L679 S686	T678-A682 PolarHBondContact O-N 2.83Å; T678-A682 VanDerWaalsContact O-N 3.08Å; L679-A682 PolarHBondContact O-N 2.95Å; A682-S686 PolarHBondContact O-N 3.19Å; A682-S686 VanDerWaalsContact O-N 3.13Å; A682-S686 PolarHBondContact O-OG 3.04Å
683	S	61.7	Low	66.3	Low	66 Å²	66	91 Å²	91	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-68.3	-38.7	176.3	63.9	0	0	0	0	112.3	L679 A680 S686 V687	L679-S683 PolarHBondContact O-N 3.02Å; L679-S683 VanDerWaalsContact O-N 3.11Å; L679-S683 PolarHBondContact O-OG 3.06Å; A680-S683 PolarHBondContact O-OG 2.79Å; S683-S686 WeakPolarHBondContact O-CB 3.43Å; S683-S686 PolarHBondContact O-N 2.83Å; S683-V687 WeakPolarHBondContact O-CG2 3.4Å; S683-V687 PolarHBondContact O-N 2.92Å; S683-V687 VanDerWaalsContact O-N 3.09Å
684	S	63.2	Low	67.1	Low	70 Å²	70	92.7 Å²	92.7	49%	0.49	54%	0.537	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.2	-58.3	0	0	0	0	112.1	A680 L681 S686 V687 L688	A680-S684 VanDerWaalsContact O-CB 3.3Å; A680-S684 WeakPolarHBondContact O-CB 3.45Å; A680-S684 PolarHBondContact O-N 3.31Å; A680-S684 PolarHBondContact O-OG 2.79Å; L681-S684 PolarHBondContact O-N 2.83Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.18Å; S684-V687 PolarHBondContact O-N 3.08Å; S684-L688 WeakPolarHBondContact O-CB 3.45Å; S684-L688 PolarHBondContact O-N 3.24Å
685	L	67.1	Low	68.2	Low	123 Å²	123	89.4 Å²	89.4	64%	0.644	53%	0.528	S	S	*	.	H	α-helix	trans	-65	-33.8	175.6	-74.2	167.3	0	0	0	112.4	L681 L688 G689	L681-L685 WeakPolarHBondContact O-CB 3.36Å; L681-L685 WeakPolarHBondContact O-CG 3.37Å; L681-L685 PolarHBondContact O-N 2.99Å; L685-L688 PolarHBondContact O-N 2.98Å; L685-G689 PolarHBondContact O-N 3.38Å
686	S	69.1	Low	69.4	Low	81 Å²	81	88.8 Å²	88.8	57%	0.566	53%	0.527	S	S	*	.	H	α-helix	trans	-66.4	-43.5	176.7	-53.8	0	0	0	0	111.9	A682 S683 S684 G689 A690	A682-S686 PolarHBondContact O-N 3.19Å; A682-S686 VanDerWaalsContact O-N 3.13Å; A682-S686 PolarHBondContact O-OG 3.04Å; S683-S686 WeakPolarHBondContact O-CB 3.43Å; S683-S686 PolarHBondContact O-N 2.83Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.18Å; S686-G689 PolarHBondContact O-N 2.69Å; S686-A690 PolarHBondContact O-N 3.48Å
687	V	76.1	Confident	70.7	Confident	95 Å²	95	86.2 Å²	86.2	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-41.3	176.5	174.4	0	0	0	0	110.8	S683 S684 G689 A690 M691	S683-V687 WeakPolarHBondContact O-CG2 3.4Å; S683-V687 PolarHBondContact O-N 2.92Å; S683-V687 VanDerWaalsContact O-N 3.09Å; S684-V687 PolarHBondContact O-N 3.08Å; V687-G689 VanDerWaalsContact C-N 3.34Å; V687-G689 PolarHBondContact O-N 3.16Å; V687-A690 PolarHBondContact O-N 3.06Å; V687-M691 HydrophobicContact CG1-CG 4.41Å; V687-M691 WeakPolarHBondContact O-CG 3.4Å; V687-M691 PolarHBondContact O-N 3.28Å
688	L	74.4	Confident	71.9	Confident	113 Å²	113	85.3 Å²	85.3	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-39.3	178.9	-152.1	141.4	0	0	0	111.3	S684 L685 M691 L692	S684-L688 WeakPolarHBondContact O-CB 3.45Å; S684-L688 PolarHBondContact O-N 3.24Å; L685-L688 PolarHBondContact O-N 2.98Å; L688-M691 PolarHBondContact O-N 3.01Å; L688-L692 HydrophobicContact CD2-CD1 4.33Å; L688-L692 WeakPolarHBondContact O-CB 3.49Å; L688-L692 PolarHBondContact O-N 3.19Å
689	G	80.3	Confident	73.3	Confident	36 Å²	36	85.4 Å²	85.4	37%	0.371	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-45.6	171.4	0	0	0	0	0	113.2	L685 S686 V687 L692 V693	L685-G689 PolarHBondContact O-N 3.38Å; S686-G689 PolarHBondContact O-N 2.69Å; V687-G689 VanDerWaalsContact C-N 3.34Å; V687-G689 PolarHBondContact O-N 3.16Å; G689-L692 PolarHBondContact O-N 3.03Å; G689-V693 WeakPolarHBondContact O-CG2 3.32Å; G689-V693 PolarHBondContact O-N 3.25Å
690	A	77.4	Confident	74.7	Confident	52 Å²	52	85.9 Å²	85.9	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-63.6	-42.1	177.6	0	0	0	0	0	112.4	S686 V687 L692 V693 I694	S686-A690 PolarHBondContact O-N 3.48Å; V687-A690 PolarHBondContact O-N 3.06Å; A690-L692 VanDerWaalsContact C-N 3.33Å; A690-L692 PolarHBondContact O-N 3.06Å; A690-V693 PolarHBondContact O-N 3.44Å; A690-I694 WeakPolarHBondContact O-CG1 3.38Å; A690-I694 PolarHBondContact O-N 2.77Å
691	M	81.1	Confident	75.6	Confident	115 Å²	115	87.1 Å²	87.1	57%	0.567	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-38.8	176.2	-72.8	-72.7	-91.5	0	0	111.8	V687 L688 I694 T695	V687-M691 HydrophobicContact CG1-CG 4.41Å; V687-M691 WeakPolarHBondContact O-CG 3.4Å; V687-M691 PolarHBondContact O-N 3.28Å; L688-M691 PolarHBondContact O-N 3.01Å; M691-I694 PolarHBondContact O-N 3.05Å; M691-T695 WeakPolarHBondContact O-CB 3.49Å; M691-T695 PolarHBondContact O-N 2.87Å; M691-T695 PolarHBondContact O-OG1 3.04Å
692	L	83.2	Confident	76.5	Confident	104 Å²	104	87.7 Å²	87.7	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-43.5	175.3	-121.7	154.9	0	0	0	111.5	L688 G689 A690 T695 V696	L688-L692 HydrophobicContact CD2-CD1 4.33Å; L688-L692 WeakPolarHBondContact O-CB 3.49Å; L688-L692 PolarHBondContact O-N 3.19Å; G689-L692 PolarHBondContact O-N 3.03Å; A690-L692 VanDerWaalsContact C-N 3.33Å; A690-L692 PolarHBondContact O-N 3.06Å; L692-T695 PolarHBondContact O-N 2.97Å; L692-V696 HydrophobicContact CD2-CG2 4.32Å; L692-V696 VanDerWaalsContact O-CG2 3.28Å; L692-V696 WeakPolarHBondContact O-CG2 3.23Å; L692-V696 PolarHBondContact O-N 3.09Å
693	V	84.4	Confident	77.3	Confident	92 Å²	92	92.2 Å²	92.2	56%	0.558	53%	0.532	S	S	*	.	H	α-helix	trans	-62.7	-46.3	175.7	174.1	0	0	0	0	111.1	G689 A690 T695 V696 V697	G689-V693 WeakPolarHBondContact O-CG2 3.32Å; G689-V693 PolarHBondContact O-N 3.25Å; A690-V693 PolarHBondContact O-N 3.44Å; V693-T695 VanDerWaalsContact C-N 3.28Å; V693-T695 PolarHBondContact O-N 3.43Å; V693-V696 PolarHBondContact O-N 3.06Å; V693-V697 HydrophobicContact CG1-CG2 4.27Å; V693-V697 WeakPolarHBondContact O-CB 3.46Å; V693-V697 VanDerWaalsContact O-CG2 3.25Å; V693-V697 WeakPolarHBondContact O-CG2 3.2Å; V693-V697 PolarHBondContact O-N 2.82Å
694	I	83.7	Confident	77.8	Confident	99 Å²	99	96 Å²	96	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-60.1	-41.8	177.1	-68.8	166.9	0	0	0	110.7	A690 M691 V697 S698	A690-I694 WeakPolarHBondContact O-CG1 3.38Å; A690-I694 PolarHBondContact O-N 2.77Å; M691-I694 PolarHBondContact O-N 3.05Å; I694-V697 PolarHBondContact O-N 3.28Å; I694-S698 VanDerWaalsContact O-CB 3.23Å; I694-S698 WeakPolarHBondContact O-CB 3Å; I694-S698 PolarHBondContact O-N 2.77Å; I694-S698 PolarHBondContact O-OG 2.81Å
695	T	83.6	Confident	78.1	Confident	80 Å²	80	100.1 Å²	100.1	49%	0.491	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-45.7	179.4	-52.3	0	0	0	0	110.8	M691 L692 V693 V697 S698 V699	M691-T695 WeakPolarHBondContact O-CB 3.49Å; M691-T695 PolarHBondContact O-N 2.87Å; M691-T695 PolarHBondContact O-OG1 3.04Å; L692-T695 PolarHBondContact O-N 2.97Å; V693-T695 VanDerWaalsContact C-N 3.28Å; V693-T695 PolarHBondContact O-N 3.43Å; T695-V697 PolarHBondContact O-N 3.03Å; T695-S698 PolarHBondContact O-N 2.79Å; T695-V699 WeakPolarHBondContact O-CB 3.44Å; T695-V699 VanDerWaalsContact O-CG2 3.28Å; T695-V699 WeakPolarHBondContact O-CG2 3.3Å; T695-V699 PolarHBondContact O-N 2.8Å
696	V	85.1	Confident	78	Confident	90 Å²	90	102.1 Å²	102.1	55%	0.545	55%	0.55	S	S	.	.	H	α-helix	trans	-63.1	-43.8	177.2	171.6	0	0	0	0	111.4	L692 V693 S698 V699 F700	L692-V696 HydrophobicContact CD2-CG2 4.32Å; L692-V696 VanDerWaalsContact O-CG2 3.28Å; L692-V696 WeakPolarHBondContact O-CG2 3.23Å; L692-V696 PolarHBondContact O-N 3.09Å; V693-V696 PolarHBondContact O-N 3.06Å; V696-S698 VanDerWaalsContact C-N 3.35Å; V696-V699 PolarHBondContact O-N 3.44Å; V696-F700 WeakPolarHBondContact O-CB 3.31Å; V696-F700 PolarHBondContact O-N 3.19Å
697	V	84.3	Confident	77.7	Confident	80 Å²	80	105.7 Å²	105.7	49%	0.485	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-42.1	176.1	171.6	0	0	0	0	110.8	V693 I694 T695 F700 C701	V693-V697 HydrophobicContact CG1-CG2 4.27Å; V693-V697 WeakPolarHBondContact O-CB 3.46Å; V693-V697 VanDerWaalsContact O-CG2 3.25Å; V693-V697 WeakPolarHBondContact O-CG2 3.2Å; V693-V697 PolarHBondContact O-N 2.82Å; I694-V697 PolarHBondContact O-N 3.28Å; T695-V697 PolarHBondContact O-N 3.03Å; V697-F700 PolarHBondContact O-N 3.04Å; V697-C701 WeakPolarHBondContact O-CB 3.46Å; V697-C701 PolarHBondContact O-N 2.79Å; V697-C701 PolarHBondContact O-SG 3.3Å; V697-C701 VanDerWaalsContact O-SG 3.33Å
698	S	81.5	Confident	76.8	Confident	59 Å²	59	109 Å²	109	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-43.8	178	-61.2	0	0	0	0	111.6	I694 T695 V696 F700 C701 M702	I694-S698 VanDerWaalsContact O-CB 3.23Å; I694-S698 WeakPolarHBondContact O-CB 3Å; I694-S698 PolarHBondContact O-N 2.77Å; I694-S698 PolarHBondContact O-OG 2.81Å; T695-S698 PolarHBondContact O-N 2.79Å; V696-S698 VanDerWaalsContact C-N 3.35Å; S698-F700 VanDerWaalsContact C-N 3.35Å; S698-F700 PolarHBondContact O-N 3.36Å; S698-C701 PolarHBondContact O-N 3.39Å; S698-M702 WeakPolarHBondContact O-CB 3.46Å; S698-M702 VanDerWaalsContact O-CG 3.27Å; S698-M702 WeakPolarHBondContact O-CG 3.39Å; S698-M702 PolarHBondContact O-N 3.06Å
699	V	82.6	Confident	75.9	Confident	90 Å²	90	110.4 Å²	110.4	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-62.9	-41.9	174.4	170.6	0	0	0	0	110.8	T695 V696 M702 K703	T695-V699 WeakPolarHBondContact O-CB 3.44Å; T695-V699 VanDerWaalsContact O-CG2 3.28Å; T695-V699 WeakPolarHBondContact O-CG2 3.3Å; T695-V699 PolarHBondContact O-N 2.8Å; V696-V699 PolarHBondContact O-N 3.44Å; V699-M702 PolarHBondContact O-N 3.28Å; V699-K703 VanDerWaalsContact O-CB 3.32Å; V699-K703 WeakPolarHBondContact O-CB 3.49Å; V699-K703 PolarHBondContact O-N 3.2Å
700	F	81	Confident	74.8	Confident	148 Å²	148	112.6 Å²	112.6	65%	0.649	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-42.1	177.8	-160.8	-92.2	0	0	0	112	V696 V697 S698 K703 K704	V696-F700 WeakPolarHBondContact O-CB 3.31Å; V696-F700 PolarHBondContact O-N 3.19Å; V697-F700 PolarHBondContact O-N 3.04Å; S698-F700 VanDerWaalsContact C-N 3.35Å; S698-F700 PolarHBondContact O-N 3.36Å; F700-K703 PolarHBondContact O-N 3.35Å; F700-K704 WeakPolarHBondContact O-CB 3.45Å; F700-K704 PolarHBondContact O-N 3.06Å
701	C	74.7	Confident	73.7	Confident	75 Å²	75	117.2 Å²	117.2	51%	0.507	58%	0.584	S	S	.	*	H	α-helix	trans	-63.2	-43.1	174.3	-77.2	0	0	0	0	111.9	V697 S698 K704 K705	V697-C701 WeakPolarHBondContact O-CB 3.46Å; V697-C701 PolarHBondContact O-N 2.79Å; V697-C701 PolarHBondContact O-SG 3.3Å; V697-C701 VanDerWaalsContact O-SG 3.33Å; S698-C701 PolarHBondContact O-N 3.39Å; C701-K704 PolarHBondContact O-N 2.94Å; C701-K705 WeakPolarHBondContact O-CB 3.22Å; C701-K705 PolarHBondContact O-N 3.32Å
702	M	75.1	Confident	72.4	Confident	122 Å²	122	117.6 Å²	117.6	60%	0.601	59%	0.588	S	S	*	*	H	α-helix	trans	-63.4	-44.4	174.9	-77.1	-70.2	-75.2	0	0	111.4	S698 V699 K704 K705 Y706	S698-M702 WeakPolarHBondContact O-CB 3.46Å; S698-M702 VanDerWaalsContact O-CG 3.27Å; S698-M702 WeakPolarHBondContact O-CG 3.39Å; S698-M702 PolarHBondContact O-N 3.06Å; V699-M702 PolarHBondContact O-N 3.28Å; M702-K704 VanDerWaalsContact C-N 3.34Å; M702-K704 PolarHBondContact O-N 3.19Å; M702-K705 PolarHBondContact O-N 2.78Å; M702-Y706 WeakPolarHBondContact O-CB 3.44Å; M702-Y706 PolarHBondContact O-N 2.62Å
703	K	73.8	Confident	70.9	Confident	146 Å²	146	118.5 Å²	118.5	64%	0.635	59%	0.593	S	S	*	*	H	α-helix	trans	-64.2	-37.8	176.8	-161	174.7	-174.6	175.7	0	112	V699 F700 K707	V699-K703 VanDerWaalsContact O-CB 3.32Å; V699-K703 WeakPolarHBondContact O-CB 3.49Å; V699-K703 PolarHBondContact O-N 3.2Å; F700-K703 PolarHBondContact O-N 3.35Å; K703-K707 PolarHBondContact O-N 2.86Å
704	K	71.9	Confident	69.1	Low	145 Å²	145	121 Å²	121	63%	0.63	60%	0.603	S	S	*	*	H	α-helix	trans	-67.7	-40.7	173.9	-167.7	176.8	-177.8	178.2	0	111.7	F700 C701 M702 K707 K708	F700-K704 WeakPolarHBondContact O-CB 3.45Å; F700-K704 PolarHBondContact O-N 3.06Å; C701-K704 PolarHBondContact O-N 2.94Å; M702-K704 VanDerWaalsContact C-N 3.34Å; M702-K704 PolarHBondContact O-N 3.19Å; K704-K707 PolarHBondContact O-N 2.87Å; K704-K708 WeakPolarHBondContact O-CB 3.1Å; K704-K708 PolarHBondContact O-N 2.95Å
705	K	69	Low	67.4	Low	157 Å²	157	119.9 Å²	119.9	68%	0.683	61%	0.605	S	S	*	*	H	α-helix	trans	-66.2	-39	175.7	-164.3	177.8	-177.6	-179	0	111.5	C701 M702 K708 K709	C701-K705 WeakPolarHBondContact O-CB 3.22Å; C701-K705 PolarHBondContact O-N 3.32Å; M702-K705 PolarHBondContact O-N 2.78Å; K705-K708 PolarHBondContact O-N 3.05Å; K705-K709 PolarHBondContact O-N 2.94Å
706	Y	65.1	Low	65.6	Low	166 Å²	166	123.3 Å²	123.3	65%	0.651	62%	0.62	S	S	*	*	H	α-helix	trans	-67.4	-44.4	175.9	-136.4	-88.8	0	0	0	111.8	M702 K708 K709 V710	M702-Y706 WeakPolarHBondContact O-CB 3.44Å; M702-Y706 PolarHBondContact O-N 2.62Å; Y706-K708 VanDerWaalsContact C-N 3.3Å; Y706-K708 PolarHBondContact O-N 3.25Å; Y706-K709 PolarHBondContact O-N 2.86Å; Y706-K709 VanDerWaalsContact O-N 3.14Å; Y706-V710 HydrophobicContact CD1-CG2 4.26Å; Y706-V710 WeakPolarHBondContact O-CG2 3.4Å; Y706-V710 PolarHBondContact O-N 2.63Å
707	K	62.8	Low	63.3	Low	155 Å²	155	127.7 Å²	127.7	67%	0.674	64%	0.637	S	S	*	*	H	α-helix	trans	-59.5	-38.8	171.7	-94	-172.4	171.1	-172.1	0	112.7	K703 K704 K709 M711	K703-K707 PolarHBondContact O-N 2.86Å; K704-K707 PolarHBondContact O-N 2.87Å; K707-K709 VanDerWaalsContact C-N 3.32Å; K707-M711 WeakPolarHBondContact O-CG 3.36Å; K707-M711 PolarHBondContact O-N 2.83Å; K707-M711 VanDerWaalsContact O-N 3.11Å
708	K	59	Low	61.1	Low	164 Å²	164	134.9 Å²	134.9	71%	0.713	66%	0.656	S	S	*	*	H	α-helix	trans	-68.3	-30.3	176.2	-126.7	-178	-178.2	-171.9	0	112.9	K704 K705 Y706 N712	K704-K708 WeakPolarHBondContact O-CB 3.1Å; K704-K708 PolarHBondContact O-N 2.95Å; K705-K708 PolarHBondContact O-N 3.05Å; Y706-K708 VanDerWaalsContact C-N 3.3Å; Y706-K708 PolarHBondContact O-N 3.25Å; K708-N712 PolarHBondContact O-N 2.84Å
709	K	55.2	Low	58.9	Low	143 Å²	143	140 Å²	140	62%	0.622	68%	0.676	S	S	*	*	H	α-helix	trans	-75.8	-41.3	177	-156.7	178.9	-177.2	-171	0	111.6	K705 Y706 K707 M711 N712 D713	K705-K709 PolarHBondContact O-N 2.94Å; Y706-K709 PolarHBondContact O-N 2.86Å; Y706-K709 VanDerWaalsContact O-N 3.14Å; K707-K709 VanDerWaalsContact C-N 3.32Å; K709-M711 VanDerWaalsContact C-N 3.34Å; K709-M711 PolarHBondContact O-N 2.81Å; K709-N712 PolarHBondContact O-N 3.38Å; K709-N712 VanDerWaalsContact O-N 3.1Å; K709-D713 PolarHBondContact O-N 2.84Å; K709-D713 VanDerWaalsContact O-N 3.11Å
710	V	56.3	Low	56.6	Low	82 Å²	82	144.8 Å²	144.8	50%	0.497	69%	0.693	S	S	.	*	H	α-helix	trans	-64	-37.1	174.8	175.5	0	0	0	0	111.7	Y706 N712	Y706-V710 HydrophobicContact CD1-CG2 4.26Å; Y706-V710 WeakPolarHBondContact O-CG2 3.4Å; Y706-V710 PolarHBondContact O-N 2.63Å; V710-N712 VanDerWaalsContact C-N 3.27Å; V710-N712 PolarHBondContact O-N 2.83Å
711	M	54.8	Low	54.6	Low	150 Å²	150	144.5 Å²	144.5	74%	0.739	70%	0.698	S	S	*	*	H	α-helix	trans	-73	-13.9	174	-69.5	-176.6	80.3	0	0	114.6	K707 K709	K707-M711 WeakPolarHBondContact O-CG 3.36Å; K707-M711 PolarHBondContact O-N 2.83Å; K707-M711 VanDerWaalsContact O-N 3.11Å; K709-M711 VanDerWaalsContact C-N 3.34Å; K709-M711 PolarHBondContact O-N 2.81Å
712	N	53.4	Low	52.8	Low	123 Å²	123	147.6 Å²	147.6	66%	0.658	71%	0.714	S	S	*	*	H	α-helix	trans	-96.2	-27.5	179.2	-120.8	31.8	0	0	0	112.5	K708 K709 V710 S715	K708-N712 PolarHBondContact O-N 2.84Å; K709-N712 PolarHBondContact O-N 3.38Å; K709-N712 VanDerWaalsContact O-N 3.1Å; V710-N712 VanDerWaalsContact C-N 3.27Å; V710-N712 PolarHBondContact O-N 2.83Å; N712-S715 PolarHBondContact O-OG 3.46Å
713	D	50.8	Low	51	Low	122 Å²	122	150.1 Å²	150.1	65%	0.652	72%	0.724	S	S	*	*	H	α-helix	trans	-77	-19.6	177.8	-95.7	-15.2	0	0	0	113.6	K709 S715	K709-D713 PolarHBondContact O-N 2.84Å; K709-D713 VanDerWaalsContact O-N 3.11Å; D713-S715 PolarHBondContact O-N 3.45Å
714	D	47.8	Very low	49.3	Very low	145 Å²	145	147.1 Å²	147.1	78%	0.775	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-0.6	173	-83.7	-21.8	0	0	0	113.8
715	S	48.5	Very low	47.6	Very low	76 Å²	76	147.8 Å²	147.8	53%	0.531	74%	0.737	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-1	-175.7	2.3	0	0	0	0	115.5	N712 D713	N712-S715 PolarHBondContact O-OG 3.46Å; D713-S715 PolarHBondContact O-N 3.45Å
716	N	44.7	Very low	46.5	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	74%	0.744	S	S	*	*			trans	-136.2	51	-173.5	-98.7	-8.7	0	0	0	114.1
717	M	37.6	Very low	45.3	Very low	183 Å²	183	143.2 Å²	143.2	90%	0.901	75%	0.748	S	S	*	*			trans	-120.3	86.5	165.6	-135.4	-179.3	78.4	0	0	110
718	Y	37.3	Very low	44.6	Very low	230 Å²	230	145.8 Å²	145.8	90%	0.902	78%	0.781	S	S	*	*			trans	-105.3	122.9	163.9	-101.8	-85.6	0	0	0	109.6
719	M	36.5	Very low	43.9	Very low	166 Å²	166	144.9 Å²	144.9	82%	0.818	78%	0.784	S	S	*	*			trans	-58.4	142.6	171.2	-82.6	-177.5	-104.9	0	0	112.3
720	Q	34.1	Very low	43.3	Very low	192 Å²	192	145 Å²	145	90%	0.897	79%	0.793	S	S	*	*			trans	-140.2	108.3	147.5	-122.6	172.7	1.4	0	0	110.7
721	N	37.8	Very low	42.6	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	81%	0.809	S	S	*	*			trans	-75.3	132.8	163.2	-80.1	-29.8	0	0	0	109.1
722	V	38.1	Very low	41.9	Very low	141 Å²	141	148.4 Å²	148.4	86%	0.855	81%	0.814	S	S	*	*			trans	-141.4	126.7	150.4	-174.5	0	0	0	0	109.9
723	H	36.9	Very low	41.1	Very low	174 Å²	174	150 Å²	150	81%	0.806	82%	0.823	S	S	*	*			trans	-66.7	150.4	174.4	-97.7	-86	0	0	0	113.9
724	A	38.3	Very low	40.5	Very low	84 Å²	84	151.9 Å²	151.9	69%	0.694	84%	0.835	S	S	*	*			trans	32.9	128.6	137.3	0	0	0	0	0	121
725	N	35.7	Very low	40	Very low	159 Å²	159	152.4 Å²	152.4	85%	0.85	84%	0.839	S	S	*	*				-163.7	153	113.2	-119.1	-2.6	0	0	0	113.9
726	D	45.1	Very low	39.3	Very low	155 Å²	155	158.2 Å²	158.2	83%	0.829	86%	0.863	S	S	*	*			trans	-61.3	163.7	-176.8	-68.5	-53.6	0	0	0	116.4
727	G	40.5	Very low	38.9	Very low	72 Å²	72	158.8 Å²	158.8	74%	0.742	87%	0.867	S	S	*	*			trans	-68.2	-149.6	-172.3	0	0	0	0	0	117.8
728	P	48.7	Very low	39	Very low	209 Å²	209	156.6 Å²	156.6	100%	1.357	86%	0.864	S	S	*	*			cis	-99.4	0	13.3	35.9	-27.7	0	0	0	116

Retrieved 728 of 728 residues in 296.9 ms (Link to these results)

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