A0A087Y0M9_POEFO Loading...

Extracellular sulfatase

AlphaFold DB , UniProt , Accession A0A087Y0M9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 887 aa.

						>A0A087Y0M9_POEFO|A0A087Y0M9
MLIHWLSWLVLLSVDWTPGSQAFTTTRAQGLRGRIQRDRRNIRPNIILIMTDDQDVELGSLQVMNKTRKIMEDGGTSFINAFVTTPMCCPSRSSMLTGKYVHNHNTYTNNENCSSPSWQAQHEPRSFAVYLNNTGYRTAFFGKYLNEYNGSYIPPGWREWVGLIKNSRFYNYTVCRNGFKEKHGADYAKDYFTDLITNDSISFFRMSKKIYPHRPVMMVISHAAPHGPEDSAPQYAEHFPNASQHITPSYNYAPNMDKHWIMQYTGPMKPIHMEFTNFLHRKRLQTLLSVDESVQKVYDMLEETGELDNTYIIYTADHGYHIGQFGLVKGKSMPYDFDIRVPFFLRGPNVDPGAVNPHLVLNIDLAPTILHIAGLDTPPDMDGKSILKLLEQERTGNRFKPNRKPKVWRDTFLVERGKILRKKDDSVSTQQTNSLPKYKKVRETCQLAELQTPCEQPGQKWHCVEEITGKWRIQKCKGGSKEGSRKRVRSLRPPSSFARFLNREKACDCEDPLYKPTRADRRSQRRFSSGGQRYRPRFVHTRPARSLSVEFEGQIYDIDLQADDQSGIRRRGISKRHYASEDPEYDLGSDDGSEEMLADDTNAVGYLNSVKVTHKCYILMNDTIHCEREIYQSSKAWKDHKSYVDQEIEALQDKIKNLREVRGHLKRTRPDDCDCGKSYFNKGLRNKGERLKGRNDQLHPFKETTHDIEGKTQLYNEIRRRKKERKEKKRQRKGDDCSLPGLTCFTHNNDHWQTAPFWTLGAFCACTSSNNNTYWCLRTINETHNTLFCEFSTGFLEYFDLNSDPYQLTNAVYAVDRDVLNSLHAQLMEMRSCQGYKQCNPRPKGSDTGGKDGGSYEPHRRQQHRKWSKTRPSLSFPTQPVWEGRQG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	33.5	Very low	239 Å²	239	158 Å²	158	100%	1.177	78%	0.775	S	S	*	*				0	-176.4	0	-66.9	179.1	80.8	0	0	108.4
2	L	36	Very low	33.4	Very low	137 Å²	137	158.2 Å²	158.2	72%	0.717	78%	0.78	S	S	*	*			trans	-60.1	153.9	176.9	-64.9	74.4	0	0	0	111.4
3	I	33.4	Very low	33.1	Very low	168 Å²	168	153.2 Å²	153.2	86%	0.862	77%	0.77	S	S	*	*				-167	89.8	117.7	-89.1	148.6	0	0	0	109.1
4	H	37.2	Very low	33	Very low	144 Å²	144	151.1 Å²	151.1	67%	0.667	77%	0.769	S	S	*	*				23.9	137.2	117.8	-101.4	-33.3	0	0	0	122.2
5	W	39	Very low	32.6	Very low	212 Å²	212	150.5 Å²	150.5	80%	0.803	77%	0.768	S	S	*	*			trans	94.4	144.1	144.2	-86.7	74.6	0	0	0	122.3
6	L	31.1	Very low	32.4	Very low	150 Å²	150	155.1 Å²	155.1	79%	0.785	77%	0.773	S	S	*	*			trans	70.9	156.8	168	-57.8	167.1	0	0	0	119.8
7	S	32.1	Very low	32.2	Very low	83 Å²	83	153.2 Å²	153.2	58%	0.58	77%	0.772	S	S	*	*			cis	-174.6	139	-49.7	-156.9	0	0	0	0	110.3
8	W	33.3	Very low	32.6	Very low	234 Å²	234	151.8 Å²	151.8	89%	0.886	78%	0.775	S	S	*	*			trans	62.9	158.2	151.7	-82.1	37.3	0	0	0	117.7
9	L	31.6	Very low	32.4	Very low	116 Å²	116	147.4 Å²	147.4	61%	0.607	77%	0.771	S	S	*	*			cis	-162.5	173	-27.4	-144	179.4	0	0	0	106.8
10	V	31.2	Very low	32.1	Very low	122 Å²	122	146.6 Å²	146.6	74%	0.739	78%	0.779	S	S	*	*			trans	75.3	153	166.9	-177.6	0	0	0	0	116.4
11	L	32.3	Very low	31.9	Very low	133 Å²	133	147.6 Å²	147.6	70%	0.696	78%	0.779	S	S	*	*				171.6	159.5	-51.9	-109.8	167.6	0	0	0	108.9
12	L	31.6	Very low	31.7	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	76%	0.764	S	S	*	*			trans	71.3	149.8	167.2	-64.8	166	0	0	0	116
13	S	29.9	Very low	31.3	Very low	94 Å²	94	142.6 Å²	142.6	66%	0.657	77%	0.765	S	S	*	*			cis	-165.9	158.7	3.5	37.3	0	0	0	0	113
14	V	32	Very low	30.9	Very low	124 Å²	124	140.1 Å²	140.1	75%	0.752	76%	0.758	S	S	*	*			trans	70.1	137.5	144.5	159.5	0	0	0	0	117.5
15	D	27.6	Very low	30.5	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	77%	0.769	S	S	*	*			cis	-157.6	-163.1	-8.5	-115.9	-10.2	0	0	0	114.5
16	W	28.5	Very low	29.9	Very low	224 Å²	224	136.8 Å²	136.8	85%	0.848	77%	0.771	S	S	*	*			trans	-78.6	151.6	-159.3	-103.1	-34.6	0	0	0	121.1
17	T	29.9	Very low	29.8	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	78%	0.778	S	S	*	*			trans	69.8	163.9	143.2	58.6	0	0	0	0	120.2
18	P	39.1	Very low	29.5	Very low	128 Å²	128	141.7 Å²	141.7	83%	0.831	79%	0.785	S	S	*	*			cis	-116.1	179.9	-2.9	41.1	-29	0	0	0	114.3
19	G	27.5	Very low	29.3	Very low	68 Å²	68	139 Å²	139	70%	0.701	78%	0.782	S	S	*	*			trans	-109.5	166.9	-179.5	0	0	0	0	0	114.9
20	S	27.2	Very low	29.1	Very low	131 Å²	131	137.1 Å²	137.1	92%	0.916	79%	0.79	S	S	*	*			trans	-151.1	155.4	162.5	-82	0	0	0	0	110
21	Q	28.1	Very low	29	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	79%	0.794	S	S	*	*			trans	-100	143.2	-161.6	-64.3	174.7	-23.3	0	0	113.7	F23	Q21-F23 HydrophobicContact CB-CE2 4.34Å
22	A	28.2	Very low	29	Very low	104 Å²	104	144.2 Å²	144.2	86%	0.86	81%	0.806	S	S	*	*			trans	-141.4	115.5	153.2	0	0	0	0	0	109.4
23	F	26.9	Very low	28.8	Very low	168 Å²	168	139.8 Å²	139.8	74%	0.737	80%	0.798	S	S	*	*			trans	-86.2	171.7	164.5	-60.4	-104.7	0	0	0	108.2	Q21	Q21-F23 HydrophobicContact CB-CE2 4.34Å
24	T	25.3	Very low	28.8	Very low	116 Å²	116	146.6 Å²	146.6	71%	0.712	81%	0.809	S	S	*	*			cis	-149	146.4	16.9	45.9	0	0	0	0	111.4
25	T	28	Very low	28.8	Very low	148 Å²	148	148.6 Å²	148.6	91%	0.908	81%	0.814	S	S	*	*			trans	-132.1	149.2	131.9	57.3	0	0	0	0	108.9
26	T	27.5	Very low	28.9	Very low	138 Å²	138	149.4 Å²	149.4	85%	0.847	81%	0.813	S	S	*	*			trans	-94.9	119.9	-158.5	49.4	0	0	0	0	113.8
27	R	27.3	Very low	29.4	Very low	249 Å²	249	150.3 Å²	150.3	94%	0.94	82%	0.817	S	S	*	*			trans	-108.7	104.7	166.7	-169.4	175.8	-172.6	169.5	4	110.6
28	A	26.8	Very low	29.9	Very low	86 Å²	86	150.4 Å²	150.4	71%	0.711	81%	0.813	S	S	*	*			trans	-79	151	179.2	0	0	0	0	0	112.9
29	Q	29.3	Very low	29.9	Very low	178 Å²	178	155.4 Å²	155.4	83%	0.832	82%	0.815	S	S	*	*			trans	44.8	84.5	157.5	-62.4	-176.2	2.8	0	0	118
30	G	26.1	Very low	30.6	Very low	76 Å²	76	160 Å²	160	78%	0.784	81%	0.811	S	S	*	*			trans	-102.9	96.4	145.2	0	0	0	0	0	109.6	R32	G30-R32 PolarHBondContact O-N 3.01Å; G30-R32 VanDerWaalsContact O-N 3.14Å
31	L	30.8	Very low	31.7	Very low	155 Å²	155	162.3 Å²	162.3	81%	0.812	81%	0.813	S	S	*	*			trans	-60.3	120	166.4	-91	77.3	0	0	0	107.6	G33	L31-G33 PolarHBondContact O-N 3.33Å
32	R	31.5	Very low	33.6	Very low	250 Å²	250	157.3 Å²	157.3	94%	0.943	79%	0.791	S	S	*	*			trans	-58.6	106.7	161.6	-94.2	-173.2	170.2	-174.4	-2.6	106.9	G30 R34	G30-R32 PolarHBondContact O-N 3.01Å; G30-R32 VanDerWaalsContact O-N 3.14Å; R32-R34 PolarHBondContact O-N 2.85Å; R32-R34 VanDerWaalsContact O-N 3.09Å
33	G	27.3	Very low	36.5	Very low	66 Å²	66	157.2 Å²	157.2	68%	0.68	77%	0.769	S	S	*	*			trans	-54	119.6	177.5	0	0	0	0	0	109.2	L31 I35	L31-G33 PolarHBondContact O-N 3.33Å; G33-I35 PolarHBondContact O-N 2.9Å; G33-I35 VanDerWaalsContact O-N 3.16Å
34	R	30.1	Very low	39.8	Very low	237 Å²	237	150.2 Å²	150.2	89%	0.894	74%	0.74	S	S	*	*			trans	-50.2	125.2	155.5	-79.2	176.6	167.6	163.2	-4.3	105.6	R32 Q36	R32-R34 PolarHBondContact O-N 2.85Å; R32-R34 VanDerWaalsContact O-N 3.09Å; R34-Q36 PolarHBondContact O-N 3.49Å
35	I	32.2	Very low	43.2	Very low	167 Å²	167	144.7 Å²	144.7	86%	0.856	71%	0.706	S	S	*	*			trans	-46.3	114.4	173.6	-64.7	170.8	0	0	0	106.9	G33 R37	G33-I35 PolarHBondContact O-N 2.9Å; G33-I35 VanDerWaalsContact O-N 3.16Å; I35-R37 PolarHBondContact O-N 2.97Å; I35-R37 VanDerWaalsContact O-N 3.11Å
36	Q	28.9	Very low	46.6	Very low	158 Å²	158	137.7 Å²	137.7	74%	0.738	66%	0.663	S	S	*	*			trans	-62.2	120.3	173.2	-78.4	176.9	-47.8	0	0	106	R34 D38	R34-Q36 PolarHBondContact O-N 3.49Å; Q36-D38 PolarHBondContact O-N 2.85Å
37	R	40.3	Very low	49.9	Very low	243 Å²	243	131.1 Å²	131.1	92%	0.917	62%	0.623	S	S	*	*			trans	-60.8	97.4	149.9	-75.4	-177	174.5	-174.1	-1.6	104.3	I35 R39	I35-R37 PolarHBondContact O-N 2.97Å; I35-R37 VanDerWaalsContact O-N 3.11Å; R37-R39 PolarHBondContact O-N 3.46Å
38	D	39.1	Very low	53.3	Low	125 Å²	125	119.4 Å²	119.4	67%	0.668	58%	0.579	S	S	*	*			trans	-62.9	143.1	-161.8	-165.1	12.5	0	0	0	110.9	Q36 R40	Q36-D38 PolarHBondContact O-N 2.85Å; D38-R40 PolarHBondContact O-N 3.44Å
39	R	39.8	Very low	56.8	Low	232 Å²	232	115.4 Å²	115.4	88%	0.875	55%	0.546	S	S	*	.	S	Bend	trans	-84.8	56.3	-160.7	-117.5	-177.4	167.9	-166.2	-4.2	111.5	R37	R37-R39 PolarHBondContact O-N 3.46Å
40	R	42.6	Very low	60	Low	166 Å²	166	107.4 Å²	107.4	63%	0.626	51%	0.508	S	S	*	.			trans	-152.9	119.7	170	-97	139.2	-154.4	-136.3	5.5	111.6	D38 I42	D38-R40 PolarHBondContact O-N 3.44Å; R40-I42 HydrophobicContact CB-CB 4.35Å; R40-I42 HydrophobicContact CB-CD1 3.87Å; R40-I42 HydrophobicContact CB-CG1 3.88Å; R40-I42 HydrophobicContact CG-CD1 3.73Å; R40-I42 HydrophobicContact CG-CG1 4.03Å; R40-I42 PolarHBondContact O-N 2.94Å
41	N	49.2	Very low	63.5	Low	179 Å²	179	103.8 Å²	103.8	96%	0.957	47%	0.471	S	S	*	.			trans	-75.1	50.1	160.8	-70.8	-18.1	0	0	0	110.5	R43	N41-R43 PolarHBondContact O-N 3.14Å
42	I	69.4	Low	66.6	Low	62 Å²	62	96.4 Å²	96.4	32%	0.318	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-75.3	122	170.2	-75.4	168.8	0	0	0	106.4	R40	R40-I42 HydrophobicContact CB-CB 4.35Å; R40-I42 HydrophobicContact CB-CD1 3.87Å; R40-I42 HydrophobicContact CB-CG1 3.88Å; R40-I42 HydrophobicContact CG-CD1 3.73Å; R40-I42 HydrophobicContact CG-CG1 4.03Å; R40-I42 PolarHBondContact O-N 2.94Å
43	R	88.1	Confident	69.7	Low	102 Å²	102	84.7 Å²	84.7	39%	0.385	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-72.7	145.7	168.4	-60.4	-177.8	-177.3	131.3	-0.5	108.5	N41 T134 Y136 P215 A373	N41-R43 PolarHBondContact O-N 3.14Å; R43-T134 PolarHBondContact NH1-O 2.77Å; R43-Y136 HydrophobicContact CB-CE2 4.35Å; R43-Y136 WeakPolarHBondContact CB-OH 3.3Å; R43-P215 HydrophobicContact CB-CB 4.36Å; R43-P215 HydrophobicContact CB-CG 4.2Å; R43-P215 WeakPolarHBondContact O-CB 3.22Å; R43-A373 VanDerWaalsContact CD-O 3.3Å; R43-A373 WeakPolarHBondContact CD-O 3.2Å; R43-A373 PolarHBondContact NE-O 3.4Å
44	P	95.2	Very high	73	Confident	22 Å²	22	81.5 Å²	81.5	14%	0.143	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-71.3	156.9	-179.7	31.8	-37.9	0	0	0	111.8	Y136 N309 Y311 P348 I372	P44-Y136 WeakPolarHBondContact O-CE1 3.46Å; P44-Y136 PolarHBondContact O-OH 2.9Å; P44-N309 CarbonylContact C-O 3.52Å; P44-N309 WeakPolarHBondContact CA-O 3.38Å; P44-N309 VanDerWaalsContact CB-O 3.26Å; P44-N309 WeakPolarHBondContact CB-O 3.39Å; P44-Y311 HydrophobicContact CB-CD2 3.87Å; P44-Y311 HydrophobicContact CB-CE2 3.98Å; P44-Y311 HydrophobicContact CG-CD2 3.88Å; P44-Y311 HydrophobicContact CG-CE2 3.74Å; P44-P348 HydrophobicContact CB-CG 4.36Å; P44-I372 HydrophobicContact CG-CG2 3.55Å
45	N	97.8	Very high	76	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	160.2	167.1	-42.4	-62.9	0	0	0	110.3	F204 K208 V216 E306 N309 T310 Y311	N45-F204 HydrophobicContact CB-CE2 4.23Å; N45-K208 PolarHBondContact ND2-NZ 2.85Å; N45-K208 VanDerWaalsContact OD1-CE 3.22Å; N45-K208 WeakPolarHBondContact OD1-CE 3.22Å; N45-K208 PolarHBondContact OD1-NZ 3.14Å; N45-V216 CarbonylContact C-O 3.47Å; N45-V216 WeakPolarHBondContact CA-O 3.39Å; N45-V216 HydrophobicContact CB-CB 4.46Å; N45-V216 WeakPolarHBondContact CB-O 3.33Å; N45-V216 PolarHBondContact OD1-N 2.83Å; N45-E306 PolarHBondContact ND2-OE2 2.77Å; N45-N309 PolarHBondContact N-O 3.16Å; N45-T310 HydrophobicContact CB-CG2 4.05Å; N45-T310 PolarHBondContact ND2-OG1 3.02Å; N45-Y311 PolarHBondContact O-N 2.97Å
46	I	98.4	Very high	79	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.4	179.8	-51.4	176.7	0	0	0	109.1	L131 Y136 V216 M217 M218 Y311 I369 I372	I46-L131 HydrophobicContact CD1-CD2 4.01Å; I46-Y136 HydrophobicContact CD1-CE1 4.28Å; I46-Y136 HydrophobicContact CG1-CE1 4.33Å; I46-V216 PolarHBondContact N-O 3.19Å; I46-M217 HydrophobicContact CB-CB 4.31Å; I46-M217 HydrophobicContact CB-CG 3.8Å; I46-M217 HydrophobicContact CG2-CE 4.46Å; I46-M217 HydrophobicContact CG2-CG 4.17Å; I46-M217 CarbonylContact O-C 3.57Å; I46-M217 VanDerWaalsContact O-CA 3.24Å; I46-M217 WeakPolarHBondContact O-CA 3.43Å; I46-M218 PolarHBondContact O-N 2.82Å; I46-Y311 CarbonylContact C-O 3.54Å; I46-Y311 WeakPolarHBondContact CA-O 3.18Å; I46-I369 HydrophobicContact CD1-CG2 4.03Å; I46-I369 HydrophobicContact CG2-CG1 4.32Å; I46-I372 HydrophobicContact CD1-CB 3.81Å; I46-I372 HydrophobicContact CD1-CG2 3.54Å; I46-I372 HydrophobicContact CG1-CB 4.38Å; I46-I372 HydrophobicContact CG1-CG2 3.62Å
47	I	98.7	Very high	81.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120	173.8	-55.6	177.5	0	0	0	107.9	I49 M218 I220 V297 L301 T310 Y311 I312 I313	I47-I49 HydrophobicContact CG2-CD1 4.49Å; I47-I49 HydrophobicContact CG2-CG1 3.89Å; I47-M218 WeakPolarHBondContact CA-O 3.46Å; I47-M218 HydrophobicContact CD1-CE 3.61Å; I47-M218 HydrophobicContact CG1-CE 3.89Å; I47-M218 HydrophobicContact CG1-CG 4.13Å; I47-M218 HydrophobicContact CG2-CE 4.23Å; I47-M218 HydrophobicContact CG2-CG 4.31Å; I47-I220 HydrophobicContact CG2-CD1 4.22Å; I47-V297 HydrophobicContact CD1-CG1 3.85Å; I47-V297 HydrophobicContact CG2-CG1 4.36Å; I47-L301 HydrophobicContact CD1-CD1 3.9Å; I47-L301 HydrophobicContact CD1-CD2 4.28Å; I47-L301 HydrophobicContact CD1-CG 4.42Å; I47-T310 HydrophobicContact CD1-CG2 3.85Å; I47-T310 HydrophobicContact CG1-CG2 3.94Å; I47-Y311 PolarHBondContact N-O 2.96Å; I47-I312 WeakPolarHBondContact O-CA 3.48Å; I47-I313 PolarHBondContact O-N 2.88Å
48	L	98.8	Very high	84.3	Confident	4 Å²	4	48 Å²	48	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.8	171	175	61.3	0	0	0	108.7	F127 M217 M218 V219 I220 I313 T315 L365 I369	L48-F127 HydrophobicContact CD2-CZ 4.38Å; L48-M217 HydrophobicContact CB-CE 4.36Å; L48-M218 PolarHBondContact N-O 2.81Å; L48-V219 HydrophobicContact CB-CG1 4.48Å; L48-V219 HydrophobicContact CB-CG2 4.29Å; L48-V219 HydrophobicContact CD2-CG1 4.29Å; L48-V219 HydrophobicContact CD2-CG2 4.26Å; L48-V219 HydrophobicContact CG-CG1 4.33Å; L48-V219 CarbonylContact O-C 3.56Å; L48-V219 WeakPolarHBondContact O-CA 3.43Å; L48-I220 PolarHBondContact O-N 3.15Å; L48-I313 HydrophobicContact CD1-CB 3.94Å; L48-I313 HydrophobicContact CD1-CG2 4.14Å; L48-T315 HydrophobicContact CD1-CG2 3.93Å; L48-L365 HydrophobicContact CD1-CD2 4.23Å; L48-I369 HydrophobicContact CD2-CD1 4.35Å
49	I	98.8	Very high	86.8	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.5	170.5	-53.2	-177.4	0	0	0	107.2	I47 V294 V297 I312 I313 Y314 T315	I47-I49 HydrophobicContact CG2-CD1 4.49Å; I47-I49 HydrophobicContact CG2-CG1 3.89Å; I49-V294 HydrophobicContact CD1-CG2 3.94Å; I49-V294 HydrophobicContact CG2-CG2 4.29Å; I49-V297 HydrophobicContact CD1-CG1 4.47Å; I49-I312 HydrophobicContact CD1-CG2 4.15Å; I49-I313 PolarHBondContact N-O 3.11Å; I49-Y314 HydrophobicContact CB-CD2 4.08Å; I49-Y314 HydrophobicContact CG2-CD2 3.82Å; I49-Y314 HydrophobicContact CG2-CE2 4.1Å; I49-Y314 WeakPolarHBondContact O-CA 3.35Å; I49-T315 PolarHBondContact O-N 2.97Å; I49-T315 VanDerWaalsContact O-N 3.13Å
50	M	97.9	Very high	89.3	Confident	11 Å²	11	31.2 Å²	31.2	5%	0.054	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.1	-176.6	-177.8	172	51.7	0	0	112	R92 M95 V219 I220 S221 H222 T315 D317	M50-R92 VanDerWaalsContact CE-NH1 3.34Å; M50-M95 HydrophobicContact SD-CE 4.15Å; M50-M95 HydrophobicContact SD-SD 3.47Å; M50-V219 HydrophobicContact CE-CG1 4.47Å; M50-I220 PolarHBondContact N-O 3.48Å; M50-S221 CarbonylContact O-C 3.6Å; M50-S221 WeakPolarHBondContact O-CA 3.46Å; M50-H222 PolarHBondContact O-N 2.89Å; M50-T315 VanDerWaalsContact CA-O 3.25Å; M50-T315 WeakPolarHBondContact CA-O 3.4Å; M50-T315 HydrophobicContact CG-CG2 4.43Å; M50-D317 HydrophobicContact SD-CB 4.18Å
51	T	98.1	Very high	91.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	174.4	172.9	49.6	0	0	0	0	112	Q54 R92 A224 V290 T315 A316 D317	T51-Q54 VanDerWaalsContact CG2-OE1 3.29Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.4Å; T51-Q54 PolarHBondContact OG1-OE1 3.3Å; T51-R92 PolarHBondContact O-NH2 2.75Å; T51-A224 WeakPolarHBondContact CB-O 3.3Å; T51-V290 HydrophobicContact CG2-CG1 4.01Å; T51-T315 PolarHBondContact N-O 2.74Å; T51-T315 PolarHBondContact OG1-O 3.3Å; T51-A316 WeakPolarHBondContact OG1-CA 3.43Å; T51-A316 WeakPolarHBondContact OG1-CB 3.47Å; T51-D317 PolarHBondContact O-N 3.07Å
52	D	96.8	Very high	93.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-131	115.6	-174.2	-162.6	47.4	0	0	0	109.9	R92 K143 S167 A224 P225 H226 D317	D52-R92 IonicContact OD1-CZ 3.63Å; D52-R92 IonicContact OD1-NE 3.8Å; D52-R92 PolarHBondContact OD1-NE 3.1Å; D52-R92 IonicContact OD1-NH2 3.83Å; D52-R92 PolarHBondContact OD1-NH2 3.22Å; D52-K143 WeakPolarHBondContact OD1-CD 3.48Å; D52-K143 IonicContact OD1-NZ 3.94Å; D52-K143 PolarHBondContact OD1-NZ 3.27Å; D52-K143 VanDerWaalsContact OD2-CD 3.3Å; D52-K143 WeakPolarHBondContact OD2-CD 3.39Å; D52-K143 IonicContact OD2-NZ 3.19Å; D52-K143 PolarHBondContact OD2-NZ 3.29Å; D52-S167 WeakPolarHBondContact OD2-CB 3.5Å; D52-S167 PolarHBondContact OD2-OG 2.88Å; D52-A224 PolarHBondContact N-O 3.09Å; D52-A224 CarbonylContact O-C 3.57Å; D52-P225 CarbonylContact O-C 3.39Å; D52-P225 WeakPolarHBondContact O-CD 3.47Å; D52-H226 HydrophobicContact CB-CB 4Å; D52-H226 PolarHBondContact O-N 2.86Å; D52-H226 WeakPolarHBondContact OD2-CB 3.45Å; D52-H226 IonicContact OD2-CD2 3.48Å; D52-H226 PolarHBondContact OD2-CD2 3.16Å; D52-H226 IonicContact OD2-CG 2.99Å; D52-D317 WeakPolarHBondContact CA-OD1 3.5Å; D52-D317 VanDerWaalsContact OD1-OD2 3.08Å
53	D	95.7	Very high	95	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	10%	0.095	C	C	.	.	S	Bend	trans	64.1	35.8	-172.2	-59.8	19.6	0	0	0	114.8	H226 R283 D317 H318 Y320 K331	D53-H226 HydrophobicContact CB-CB 4.17Å; D53-H226 VanDerWaalsContact CG-CD2 3.42Å; D53-H226 IonicContact OD1-CD2 3.86Å; D53-H226 PolarHBondContact OD1-CD2 2.92Å; D53-H226 IonicContact OD1-CG 3.88Å; D53-H226 IonicContact OD2-CD2 2.69Å; D53-H226 PolarHBondContact OD2-CD2 2.91Å; D53-H226 IonicContact OD2-CG 3.47Å; D53-R283 VanDerWaalsContact O-CZ 3.26Å; D53-R283 PolarHBondContact O-NH1 2.91Å; D53-R283 PolarHBondContact O-NH2 3.35Å; D53-D317 PolarHBondContact N-OD1 3.13Å; D53-H318 CarbonylContact C-O 3.5Å; D53-H318 IonicContact OD1-CE1 3.13Å; D53-H318 PolarHBondContact OD1-CE1 3.43Å; D53-H318 IonicContact OD1-NE2 2.76Å; D53-Y320 HydrophobicContact CB-CD2 3.64Å; D53-Y320 HydrophobicContact CB-CE2 4.1Å; D53-Y320 HydrophobicContact CB-CG 4.38Å; D53-Y320 WeakPolarHBondContact OD2-CD2 3.29Å; D53-Y320 WeakPolarHBondContact OD2-CE2 3.38Å; D53-K331 IonicContact OD1-NZ 2.77Å; D53-K331 PolarHBondContact OD1-NZ 3.11Å; D53-K331 IonicContact OD2-NZ 2.67Å; D53-K331 PolarHBondContact OD2-NZ 3.41Å
54	Q	97.1	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.			trans	-96	121.3	178.7	-170.1	-172.4	16.2	0	0	112.5	T51 M64 P225 L287 Y314 A316 H318 P342	T51-Q54 VanDerWaalsContact CG2-OE1 3.29Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.4Å; T51-Q54 PolarHBondContact OG1-OE1 3.3Å; Q54-M64 PolarHBondContact NE2-SD 2.88Å; Q54-P225 HydrophobicContact CB-CG 4.03Å; Q54-P225 HydrophobicContact CG-CG 4.34Å; Q54-L287 HydrophobicContact CG-CD1 4.42Å; Q54-L287 HydrophobicContact CG-CD2 4.26Å; Q54-Y314 PolarHBondContact NE2-OH 3.35Å; Q54-Y314 PolarHBondContact OE1-OH 3.01Å; Q54-Y314 VanDerWaalsContact OE1-OH 3.08Å; Q54-A316 HydrophobicContact CB-CB 3.76Å; Q54-A316 WeakPolarHBondContact O-CB 3.29Å; Q54-H318 PolarHBondContact N-O 3Å; Q54-P342 HydrophobicContact CG-CG 4.44Å
55	D	94.3	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.			trans	-81.5	170.1	176.7	59.9	-89.9	0	0	0	114.2	L58 G59 S60 R283	D55-L58 HydrophobicContact CB-CB 4.44Å; D55-L58 HydrophobicContact CB-CD1 4.39Å; D55-L58 HydrophobicContact CB-CG 4.09Å; D55-L58 WeakPolarHBondContact OD2-CA 3.48Å; D55-L58 VanDerWaalsContact OD2-CB 3.24Å; D55-L58 WeakPolarHBondContact OD2-CB 3.43Å; D55-L58 PolarHBondContact OD2-N 3.12Å; D55-L58 VanDerWaalsContact OD2-N 3.1Å; D55-G59 PolarHBondContact OD2-N 2.9Å; D55-S60 VanDerWaalsContact CG-OG 3.23Å; D55-S60 WeakPolarHBondContact O-CB 3.5Å; D55-S60 PolarHBondContact OD1-OG 2.88Å; D55-S60 VanDerWaalsContact OD2-CB 3.28Å; D55-S60 WeakPolarHBondContact OD2-CB 3.46Å; D55-S60 PolarHBondContact OD2-N 3.27Å; D55-S60 PolarHBondContact OD2-OG 3.19Å; D55-R283 IonicContact OD1-CZ 3.37Å; D55-R283 IonicContact OD1-NH2 2.72Å; D55-R283 PolarHBondContact OD1-NH2 2.87Å
56	V	93.8	Very high	95.5	Very high	42 Å²	42	21.8 Å²	21.8	26%	0.255	11%	0.11	S	C	.	.	S	Bend	trans	-104.2	-48	160.4	179.3	0	0	0	0	110.3	L58 G59 R340 P342	V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 PolarHBondContact O-N 2.92Å; V56-G59 PolarHBondContact O-N 3.46Å; V56-R340 HydrophobicContact CG2-CG 4.27Å; V56-P342 VanDerWaalsContact CG2-N 3.32Å
57	E	90.4	Very high	95.5	Very high	58 Å²	58	21.8 Å²	21.8	27%	0.271	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.8	-166.7	-56.5	-56.3	144.2	0	0	115.1	G59 F337 R340	E57-G59 VanDerWaalsContact C-N 3.33Å; E57-F337 HydrophobicContact CB-CB 4.14Å; E57-F337 HydrophobicContact CG-CB 4.26Å; E57-R340 WeakPolarHBondContact OE1-CD 3.42Å; E57-R340 IonicContact OE1-CZ 2.87Å; E57-R340 IonicContact OE1-NE 3.27Å; E57-R340 IonicContact OE1-NH1 2.83Å; E57-R340 PolarHBondContact OE1-NH1 2.91Å
58	L	91.4	Very high	95.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	4.5	177.6	-41.7	-179.4	0	0	0	112.1	D55 V56 Q244 H245 H280 I322	D55-L58 HydrophobicContact CB-CB 4.44Å; D55-L58 HydrophobicContact CB-CD1 4.39Å; D55-L58 HydrophobicContact CB-CG 4.09Å; D55-L58 WeakPolarHBondContact OD2-CA 3.48Å; D55-L58 VanDerWaalsContact OD2-CB 3.24Å; D55-L58 WeakPolarHBondContact OD2-CB 3.43Å; D55-L58 PolarHBondContact OD2-N 3.12Å; D55-L58 VanDerWaalsContact OD2-N 3.1Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 PolarHBondContact O-N 2.92Å; L58-Q244 WeakPolarHBondContact O-CB 3.4Å; L58-H245 HydrophobicContact CB-CB 3.99Å; L58-H245 HydrophobicContact CD1-CB 4.46Å; L58-H245 HydrophobicContact CD2-CB 4.24Å; L58-H245 HydrophobicContact CG-CB 4.47Å; L58-H280 PolarHBondContact O-CE1 3.06Å; L58-I322 HydrophobicContact CD1-CB 4.14Å; L58-I322 HydrophobicContact CD1-CD1 3.76Å; L58-I322 HydrophobicContact CD1-CG1 3.69Å
59	G	90.3	Very high	95.3	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	16%	0.155	C	C	.	.			trans	85.5	15.3	177.3	0	0	0	0	0	115.1	D55 V56 E57 L61 Q62	D55-G59 PolarHBondContact OD2-N 2.9Å; V56-G59 PolarHBondContact O-N 3.46Å; E57-G59 VanDerWaalsContact C-N 3.33Å; G59-L61 PolarHBondContact O-N 2.77Å; G59-L61 VanDerWaalsContact O-N 3.09Å; G59-Q62 VanDerWaalsContact O-CB 3.31Å; G59-Q62 WeakPolarHBondContact O-CB 3.46Å; G59-Q62 WeakPolarHBondContact O-CG 3.34Å; G59-Q62 PolarHBondContact O-N 2.95Å
60	S	93.1	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-54	-30	-179.1	-85.7	0	0	0	0	114.9	D55 L287	D55-S60 VanDerWaalsContact CG-OG 3.23Å; D55-S60 WeakPolarHBondContact O-CB 3.5Å; D55-S60 PolarHBondContact OD1-OG 2.88Å; D55-S60 VanDerWaalsContact OD2-CB 3.28Å; D55-S60 WeakPolarHBondContact OD2-CB 3.46Å; D55-S60 PolarHBondContact OD2-N 3.27Å; D55-S60 PolarHBondContact OD2-OG 3.19Å; S60-L287 WeakPolarHBondContact O-CD1 3.44Å
61	L	93.2	Very high	95.2	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.157	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-73.8	-22.4	174.2	-77.2	179.4	0	0	0	114.4	G59 V63 M64 R68 Y314 P342 F344	G59-L61 PolarHBondContact O-N 2.77Å; G59-L61 VanDerWaalsContact O-N 3.09Å; L61-V63 PolarHBondContact O-N 3.14Å; L61-M64 PolarHBondContact O-N 2.77Å; L61-R68 WeakPolarHBondContact O-CD 3.03Å; L61-Y314 HydrophobicContact CD2-CE1 4.47Å; L61-P342 HydrophobicContact CD1-CB 3.89Å; L61-P342 HydrophobicContact CD2-CB 3.88Å; L61-P342 HydrophobicContact CG-CB 4.06Å; L61-F344 HydrophobicContact CD1-CE2 4.14Å; L61-F344 HydrophobicContact CD1-CZ 3.85Å; L61-F344 HydrophobicContact CD2-CE2 3.87Å; L61-F344 HydrophobicContact CD2-CZ 4.26Å
62	Q	92.7	Very high	95	Very high	119 Å²	119	35.1 Å²	35.1	56%	0.556	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-68.7	-17.4	-171.8	-60.3	-179.8	8.9	0	0	113.4	G59	G59-Q62 VanDerWaalsContact O-CB 3.31Å; G59-Q62 WeakPolarHBondContact O-CB 3.46Å; G59-Q62 WeakPolarHBondContact O-CG 3.34Å; G59-Q62 PolarHBondContact O-N 2.95Å
63	V	94.3	Very high	94.9	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.073	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-94.2	-9.6	175.4	-58.7	0	0	0	0	113.4	L61 N65 F239 L284 L287 L288	L61-V63 PolarHBondContact O-N 3.14Å; V63-N65 PolarHBondContact O-N 3.34Å; V63-F239 HydrophobicContact CB-CE1 4.18Å; V63-F239 HydrophobicContact CB-CE2 4Å; V63-F239 HydrophobicContact CB-CZ 3.56Å; V63-F239 HydrophobicContact CG1-CD1 4.12Å; V63-F239 HydrophobicContact CG1-CD2 4.35Å; V63-F239 HydrophobicContact CG1-CE1 3.55Å; V63-F239 HydrophobicContact CG1-CE2 3.79Å; V63-F239 HydrophobicContact CG1-CZ 3.37Å; V63-L284 HydrophobicContact CG1-CB 4.21Å; V63-L284 HydrophobicContact CG1-CD1 4.02Å; V63-L284 HydrophobicContact CG1-CD2 3.98Å; V63-L284 HydrophobicContact CG1-CG 4.3Å; V63-L284 HydrophobicContact CG2-CB 4.26Å; V63-L284 HydrophobicContact CG2-CD2 3.86Å; V63-L287 HydrophobicContact CG2-CB 4.2Å; V63-L287 HydrophobicContact CG2-CD1 4.39Å; V63-L288 WeakPolarHBondContact O-CD2 3.33Å
64	M	96.9	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.			trans	-98.5	60.4	-172.1	-59.8	-164.8	70.6	0	0	111.6	Q54 L61 K66 T67 R68 L287 V290 D291 Y314	Q54-M64 PolarHBondContact NE2-SD 2.88Å; L61-M64 PolarHBondContact O-N 2.77Å; M64-K66 PolarHBondContact O-N 3.27Å; M64-T67 WeakPolarHBondContact CE-OG1 3.26Å; M64-T67 PolarHBondContact O-N 3.23Å; M64-R68 WeakPolarHBondContact O-CG 3.21Å; M64-R68 PolarHBondContact O-N 3.39Å; M64-L287 HydrophobicContact CG-CB 4.12Å; M64-L287 HydrophobicContact SD-CB 3.92Å; M64-L287 HydrophobicContact SD-CD1 4.2Å; M64-L287 HydrophobicContact SD-CD2 3.91Å; M64-L287 HydrophobicContact SD-CG 4.23Å; M64-V290 HydrophobicContact CE-CB 3.77Å; M64-V290 HydrophobicContact CE-CG1 3.82Å; M64-D291 WeakPolarHBondContact CA-OD1 3.49Å; M64-D291 HydrophobicContact CB-CB 4.45Å; M64-D291 WeakPolarHBondContact CB-OD1 3.34Å; M64-D291 HydrophobicContact CE-CB 4.06Å; M64-Y314 HydrophobicContact CE-CE2 4.43Å; M64-Y314 VanDerWaalsContact CE-OH 3.27Å; M64-Y314 WeakPolarHBondContact CE-OH 3.47Å; M64-Y314 PolarHBondContact SD-OH 2.98Å
65	N	96.8	Very high	94.7	Very high	102 Å²	102	40.3 Å²	40.3	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-67.4	-32.9	-170.3	-73.4	-32.9	0	0	0	113.3	V63 K69 D291	V63-N65 PolarHBondContact O-N 3.34Å; N65-K69 WeakPolarHBondContact O-CB 3.32Å; N65-K69 PolarHBondContact O-N 3.47Å; N65-K69 VanDerWaalsContact O-N 3.09Å; N65-D291 PolarHBondContact N-OD2 3.44Å
66	K	97.8	Very high	94.8	Very high	69 Å²	69	40.4 Å²	40.4	30%	0.3	20%	0.199	S	C	.	.	H	α-helix	trans	-69.3	-46.3	176	-56.8	170	-173.1	178.8	0	110.1	M64 R68 K69 I70 D291 E292 Q295	M64-K66 PolarHBondContact O-N 3.27Å; K66-R68 PolarHBondContact O-N 2.88Å; K66-K69 PolarHBondContact O-N 2.94Å; K66-I70 WeakPolarHBondContact O-CB 3.39Å; K66-I70 WeakPolarHBondContact O-CD1 3.22Å; K66-I70 VanDerWaalsContact O-CG1 3.27Å; K66-I70 WeakPolarHBondContact O-CG1 3.31Å; K66-I70 PolarHBondContact O-N 3.37Å; K66-D291 VanDerWaalsContact CB-OD2 3.28Å; K66-D291 WeakPolarHBondContact CB-OD2 3.36Å; K66-D291 WeakPolarHBondContact CG-OD2 3.24Å; K66-D291 PolarHBondContact N-OD1 2.81Å; K66-D291 PolarHBondContact N-OD2 2.83Å; K66-E292 IonicContact NZ-OE1 2.7Å; K66-E292 PolarHBondContact NZ-OE1 3Å; K66-Q295 HydrophobicContact CB-CB 4.33Å; K66-Q295 HydrophobicContact CD-CB 3.97Å; K66-Q295 HydrophobicContact CD-CG 4.28Å
67	T	97.9	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-49.2	177.8	-55.7	0	0	0	0	111.1	M64 I70 M71 D291 V294 Y314	M64-T67 WeakPolarHBondContact CE-OG1 3.26Å; M64-T67 PolarHBondContact O-N 3.23Å; T67-I70 PolarHBondContact O-N 2.74Å; T67-M71 HydrophobicContact CG2-CG 4.3Å; T67-M71 WeakPolarHBondContact O-CB 3.48Å; T67-M71 WeakPolarHBondContact O-CG 3.31Å; T67-M71 PolarHBondContact O-N 2.81Å; T67-D291 VanDerWaalsContact CB-OD1 3.26Å; T67-D291 WeakPolarHBondContact CB-OD1 3.33Å; T67-D291 PolarHBondContact N-OD1 2.87Å; T67-D291 PolarHBondContact OG1-OD1 3.15Å; T67-V294 HydrophobicContact CG2-CG1 4.26Å; T67-V294 HydrophobicContact CG2-CG2 4.09Å; T67-Y314 HydrophobicContact CG2-CD2 3.88Å; T67-Y314 HydrophobicContact CG2-CE1 4.43Å; T67-Y314 HydrophobicContact CG2-CE2 3.72Å; T67-Y314 HydrophobicContact CG2-CG 4.3Å
68	R	96.9	Very high	95.3	Very high	85 Å²	85	36.4 Å²	36.4	32%	0.321	18%	0.178	S	C	.	.	H	α-helix	trans	-57.8	-53.7	175.5	-71.6	-173.8	66.4	-129.1	-8.3	110.6	L61 M64 K66 I70 M71 E72 D73	L61-R68 WeakPolarHBondContact O-CD 3.03Å; M64-R68 WeakPolarHBondContact O-CG 3.21Å; M64-R68 PolarHBondContact O-N 3.39Å; K66-R68 PolarHBondContact O-N 2.88Å; R68-I70 VanDerWaalsContact C-N 3.26Å; R68-I70 PolarHBondContact O-N 2.8Å; R68-I70 VanDerWaalsContact O-N 3.17Å; R68-M71 PolarHBondContact O-N 3.11Å; R68-E72 WeakPolarHBondContact CG-OE2 3.46Å; R68-E72 IonicContact CZ-OE1 2.69Å; R68-E72 IonicContact CZ-OE2 3.66Å; R68-E72 IonicContact NE-OE1 3.37Å; R68-E72 IonicContact NE-OE2 3.76Å; R68-E72 PolarHBondContact NE-OE2 2.91Å; R68-E72 VanDerWaalsContact NH2-CD 3.27Å; R68-E72 IonicContact NH2-OE1 3.9Å; R68-E72 PolarHBondContact NH2-OE1 3.41Å; R68-E72 IonicContact NH2-OE2 3.35Å; R68-E72 PolarHBondContact NH2-OE2 3.09Å; R68-E72 WeakPolarHBondContact O-CA 3.49Å; R68-E72 WeakPolarHBondContact O-CB 3.46Å; R68-E72 PolarHBondContact O-N 3.47Å; R68-D73 PolarHBondContact O-N 2.93Å
69	K	96.9	Very high	95.4	Very high	150 Å²	150	40.1 Å²	40.1	65%	0.652	20%	0.197	S	C	*	.	H	α-helix	trans	-56.7	-36.4	178.8	-172.3	179	179	-173.2	0	113.8	N65 K66 D73	N65-K69 WeakPolarHBondContact O-CB 3.32Å; N65-K69 PolarHBondContact O-N 3.47Å; N65-K69 VanDerWaalsContact O-N 3.09Å; K66-K69 PolarHBondContact O-N 2.94Å; K69-D73 WeakPolarHBondContact CA-OD2 3.46Å
70	I	97.7	Very high	95.7	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.046	20%	0.2	C	C	.	.	H	α-helix	trans	-76.3	-38.9	179.8	-70.4	162.3	0	0	0	112.2	K66 T67 R68 V294 Q295 Y298 R346	K66-I70 WeakPolarHBondContact O-CB 3.39Å; K66-I70 WeakPolarHBondContact O-CD1 3.22Å; K66-I70 VanDerWaalsContact O-CG1 3.27Å; K66-I70 WeakPolarHBondContact O-CG1 3.31Å; K66-I70 PolarHBondContact O-N 3.37Å; T67-I70 PolarHBondContact O-N 2.74Å; R68-I70 VanDerWaalsContact C-N 3.26Å; R68-I70 PolarHBondContact O-N 2.8Å; R68-I70 VanDerWaalsContact O-N 3.17Å; I70-V294 HydrophobicContact CB-CG1 4.41Å; I70-V294 HydrophobicContact CD1-CG1 4.09Å; I70-V294 HydrophobicContact CG2-CG1 4.23Å; I70-Q295 HydrophobicContact CD1-CB 4.25Å; I70-Y298 HydrophobicContact CB-CD2 4.49Å; I70-Y298 HydrophobicContact CD1-CD1 4.36Å; I70-Y298 HydrophobicContact CD1-CG 4.04Å; I70-Y298 HydrophobicContact CG1-CD1 4.34Å; I70-Y298 HydrophobicContact CG1-CD2 4.33Å; I70-Y298 HydrophobicContact CG1-CG 4.09Å; I70-Y298 HydrophobicContact CG2-CD2 3.43Å; I70-Y298 VanDerWaalsContact CG2-CD2 3.43Å; I70-Y298 HydrophobicContact CG2-CE2 4.04Å; I70-Y298 HydrophobicContact CG2-CG 3.89Å; I70-R346 WeakPolarHBondContact O-CD 3.42Å; I70-R346 PolarHBondContact O-NH1 2.8Å
71	M	97.3	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-109	-31.2	-164.3	-62.4	-61.2	-59.4	0	0	114.7	T67 R68 G75 V294 I312 F344 R346	T67-M71 HydrophobicContact CG2-CG 4.3Å; T67-M71 WeakPolarHBondContact O-CB 3.48Å; T67-M71 WeakPolarHBondContact O-CG 3.31Å; T67-M71 PolarHBondContact O-N 2.81Å; R68-M71 PolarHBondContact O-N 3.11Å; M71-G75 WeakPolarHBondContact O-CA 3.42Å; M71-G75 PolarHBondContact O-N 2.87Å; M71-V294 HydrophobicContact CG-CG1 4.33Å; M71-I312 HydrophobicContact CE-CB 4.01Å; M71-I312 HydrophobicContact CE-CG2 3.83Å; M71-I312 WeakPolarHBondContact CE-O 3.45Å; M71-I312 HydrophobicContact SD-CB 4.07Å; M71-I312 HydrophobicContact SD-CG2 3.73Å; M71-F344 HydrophobicContact CB-CB 3.68Å; M71-F344 HydrophobicContact CB-CD1 4.38Å; M71-F344 HydrophobicContact CB-CD2 4.2Å; M71-F344 HydrophobicContact CB-CG 3.86Å; M71-F344 HydrophobicContact CE-CB 3.88Å; M71-R346 HydrophobicContact CE-CB 4.08Å; M71-R346 HydrophobicContact SD-CB 4.29Å
72	E	93.8	Very high	96.2	Very high	52 Å²	52	39.6 Å²	39.6	24%	0.243	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-59.8	177.9	-176.2	174.3	160.8	0	0	109.5	R68 G74 G75 S77 F344 G353	R68-E72 WeakPolarHBondContact CG-OE2 3.46Å; R68-E72 IonicContact CZ-OE1 2.69Å; R68-E72 IonicContact CZ-OE2 3.66Å; R68-E72 IonicContact NE-OE1 3.37Å; R68-E72 IonicContact NE-OE2 3.76Å; R68-E72 PolarHBondContact NE-OE2 2.91Å; R68-E72 VanDerWaalsContact NH2-CD 3.27Å; R68-E72 IonicContact NH2-OE1 3.9Å; R68-E72 PolarHBondContact NH2-OE1 3.41Å; R68-E72 IonicContact NH2-OE2 3.35Å; R68-E72 PolarHBondContact NH2-OE2 3.09Å; R68-E72 WeakPolarHBondContact O-CA 3.49Å; R68-E72 WeakPolarHBondContact O-CB 3.46Å; R68-E72 PolarHBondContact O-N 3.47Å; E72-G74 VanDerWaalsContact C-N 3.27Å; E72-G74 PolarHBondContact O-N 3.01Å; E72-G75 VanDerWaalsContact O-O 3.13Å; E72-S77 WeakPolarHBondContact CG-OG 3.27Å; E72-F344 HydrophobicContact CB-CD1 4.23Å; E72-F344 HydrophobicContact CB-CE1 3.84Å; E72-F344 HydrophobicContact CG-CE1 4.24Å; E72-G353 WeakPolarHBondContact O-CA 3.27Å; E72-G353 PolarHBondContact O-N 3.3Å
73	D	93.8	Very high	96.4	Very high	95 Å²	95	33.9 Å²	33.9	51%	0.508	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-32.3	177.2	-50.3	-17.2	0	0	0	111.7	R68 K69 G353	R68-D73 PolarHBondContact O-N 2.93Å; K69-D73 WeakPolarHBondContact CA-OD2 3.46Å; D73-G353 PolarHBondContact O-N 2.91Å; D73-G353 VanDerWaalsContact O-N 3.1Å
74	G	94.3	Very high	96.6	Very high	17 Å²	17	33.3 Å²	33.3	18%	0.175	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.2	-176.1	0	0	0	0	0	115.7	E72 R346	E72-G74 VanDerWaalsContact C-N 3.27Å; E72-G74 PolarHBondContact O-N 3.01Å; G74-R346 WeakPolarHBondContact O-CD 3.28Å; G74-R346 VanDerWaalsContact O-CG 3.29Å; G74-R346 WeakPolarHBondContact O-CG 3.47Å; G74-R346 PolarHBondContact O-NE 2.81Å
75	G	95.6	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-153.3	-160.3	-176.3	0	0	0	0	0	112.8	M71 E72 L345 D351 P352 G353 A354	M71-G75 WeakPolarHBondContact O-CA 3.42Å; M71-G75 PolarHBondContact O-N 2.87Å; E72-G75 VanDerWaalsContact O-O 3.13Å; G75-L345 CarbonylContact C-O 3.57Å; G75-L345 WeakPolarHBondContact CA-O 3.48Å; G75-D351 CarbonylContact C-O 3.43Å; G75-D351 VanDerWaalsContact O-O 3.07Å; G75-P352 CarbonylContact O-C 3.59Å; G75-P352 WeakPolarHBondContact O-CA 3.44Å; G75-G353 PolarHBondContact O-N 2.98Å; G75-A354 PolarHBondContact O-N 2.93Å
76	T	96.6	Very high	96.4	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.7	173.6	-56.1	0	0	0	0	111	F78 L345 V350 D351 A354 N356 L390	T76-F78 HydrophobicContact CG2-CD2 4.35Å; T76-F78 HydrophobicContact CG2-CE2 3.83Å; T76-F78 HydrophobicContact CG2-CZ 4.15Å; T76-L345 PolarHBondContact N-O 2.78Å; T76-L345 PolarHBondContact O-N 3.02Å; T76-V350 WeakPolarHBondContact OG1-CG1 3.29Å; T76-D351 PolarHBondContact OG1-O 2.9Å; T76-A354 CarbonylContact C-O 3.33Å; T76-A354 VanDerWaalsContact CA-O 3.31Å; T76-A354 WeakPolarHBondContact CA-O 3.19Å; T76-A354 HydrophobicContact CG2-CB 4.1Å; T76-N356 HydrophobicContact CG2-CB 3.9Å; T76-L390 HydrophobicContact CG2-CD2 3.88Å
77	S	96.8	Very high	96.2	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.063	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130	178.2	-61	0	0	0	0	111.6	E72 F344 A354 N356	E72-S77 WeakPolarHBondContact CG-OG 3.27Å; S77-F344 VanDerWaalsContact OG-CD1 3.29Å; S77-F344 WeakPolarHBondContact OG-CD1 3.4Å; S77-F344 WeakPolarHBondContact OG-CE1 3.27Å; S77-A354 PolarHBondContact N-O 2.85Å; S77-N356 PolarHBondContact O-N 2.03Å
78	F	96.6	Very high	96	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	95.6	179.3	-69.6	-99	0	0	0	110.1	T76 N80 F343 L345 N356 V360 I386 L389 L390	T76-F78 HydrophobicContact CG2-CD2 4.35Å; T76-F78 HydrophobicContact CG2-CE2 3.83Å; T76-F78 HydrophobicContact CG2-CZ 4.15Å; F78-N80 PolarHBondContact O-N 3Å; F78-F343 HydrophobicContact CB-CB 4.26Å; F78-F343 HydrophobicContact CB-CD1 3.93Å; F78-F343 HydrophobicContact CB-CG 4.44Å; F78-F343 AromaticContact CD2-CD1 3.64Å; F78-F343 HydrophobicContact CD2-CD1 3.64Å; F78-F343 AromaticContact CD2-CE1 3.97Å; F78-F343 HydrophobicContact CD2-CE1 3.97Å; F78-F343 HydrophobicContact CE2-CD1 4.42Å; F78-F343 HydrophobicContact CE2-CE1 4.32Å; F78-F343 AromaticContact CG-CD1 3.97Å; F78-F343 HydrophobicContact CG-CD1 3.97Å; F78-F343 HydrophobicContact CG-CE1 4.47Å; F78-F343 PolarHBondContact N-O 2.89Å; F78-L345 HydrophobicContact CE2-CB 4.05Å; F78-N356 HydrophobicContact CD1-CB 3.7Å; F78-N356 HydrophobicContact CE1-CB 3.66Å; F78-N356 HydrophobicContact CG-CB 4.29Å; F78-N356 HydrophobicContact CZ-CB 4.21Å; F78-V360 HydrophobicContact CB-CG2 4.4Å; F78-V360 HydrophobicContact CD1-CB 4.4Å; F78-V360 HydrophobicContact CD1-CG2 3.37Å; F78-V360 HydrophobicContact CE1-CG2 3.81Å; F78-V360 HydrophobicContact CG-CG2 4.05Å; F78-I386 HydrophobicContact CE1-CG2 3.78Å; F78-I386 HydrophobicContact CE2-CG2 4.27Å; F78-I386 HydrophobicContact CZ-CG2 3.53Å; F78-L389 HydrophobicContact CE1-CD1 3.9Å; F78-L390 HydrophobicContact CZ-CD1 4.39Å; F78-L390 HydrophobicContact CZ-CD2 3.92Å; F78-L390 HydrophobicContact CZ-CG 4.24Å
79	I	94.6	Very high	95.9	Very high	80 Å²	80	22.4 Å²	22.4	41%	0.41	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.9	-174.7	55.1	167.2	0	0	0	114	R340 V355 N356 P357	I79-R340 PolarHBondContact O-NE 2.91Å; I79-R340 PolarHBondContact O-NH2 2.91Å; I79-V355 HydrophobicContact CD1-CG1 4.36Å; I79-V355 HydrophobicContact CG1-CG1 4.35Å; I79-V355 HydrophobicContact CG2-CG1 3.73Å; I79-N356 PolarHBondContact N-O 2.81Å; I79-P357 HydrophobicContact CD1-CB 4.2Å; I79-P357 HydrophobicContact CG1-CB 4.5Å
80	N	96.3	Very high	95.8	Very high	19 Å²	19	15.3 Å²	15.3	10%	0.102	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	52.7	-175.7	-73	-23.1	0	0	0	110.6	F78 F82 P357 L359 V360	F78-N80 PolarHBondContact O-N 3Å; N80-F82 HydrophobicContact CB-CE2 4.09Å; N80-F82 WeakPolarHBondContact O-CD2 3.33Å; N80-P357 PolarHBondContact ND2-O 3.43Å; N80-L359 HydrophobicContact CB-CD2 4.06Å; N80-L359 WeakPolarHBondContact O-CA 3.46Å; N80-V360 PolarHBondContact O-N 3.4Å
81	A	97.6	Very high	95.7	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.017	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.3	176.8	0	0	0	0	0	112.3	R340 V341 F343 V360	A81-R340 WeakPolarHBondContact O-CG 3.36Å; A81-V341 HydrophobicContact CB-CG2 4.41Å; A81-V341 PolarHBondContact O-N 2.9Å; A81-F343 HydrophobicContact CB-CB 3.25Å; A81-F343 HydrophobicContact CB-CD2 4.43Å; A81-F343 HydrophobicContact CB-CG 4.03Å; A81-V360 VanDerWaalsContact CA-O 3.32Å; A81-V360 WeakPolarHBondContact CA-O 3.44Å; A81-V360 HydrophobicContact CB-CB 4.39Å
82	F	98.2	Very high	95.7	Very high	2 Å²	2	15 Å²	15	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.3	-171.5	-61.5	-90.7	0	0	0	113.1	N80 I339 R340 L359 V360 L361 N362 F412 I780	N80-F82 HydrophobicContact CB-CE2 4.09Å; N80-F82 WeakPolarHBondContact O-CD2 3.33Å; F82-I339 CarbonylContact C-O 3.55Å; F82-I339 VanDerWaalsContact CA-O 3.24Å; F82-I339 WeakPolarHBondContact CA-O 3.33Å; F82-I339 HydrophobicContact CD1-CD1 4.03Å; F82-I339 HydrophobicContact CD1-CG1 4.04Å; F82-I339 HydrophobicContact CE1-CD1 4.44Å; F82-R340 HydrophobicContact CD1-CB 3.89Å; F82-R340 HydrophobicContact CD1-CG 4.08Å; F82-R340 HydrophobicContact CE1-CB 3.77Å; F82-R340 HydrophobicContact CE1-CG 3.74Å; F82-R340 HydrophobicContact CZ-CG 4.16Å; F82-L359 HydrophobicContact CD2-CD2 4.08Å; F82-L359 HydrophobicContact CE2-CD2 3.8Å; F82-V360 PolarHBondContact N-O 2.72Å; F82-L361 HydrophobicContact CB-CD2 4.01Å; F82-L361 VanDerWaalsContact O-CA 3.31Å; F82-L361 WeakPolarHBondContact O-CA 3.42Å; F82-N362 PolarHBondContact O-N 2.8Å; F82-F412 HydrophobicContact CB-CE1 4.2Å; F82-F412 HydrophobicContact CB-CE2 3.76Å; F82-F412 HydrophobicContact CB-CZ 3.35Å; F82-F412 AromaticContact CD1-CZ 3.93Å; F82-F412 HydrophobicContact CD1-CZ 3.93Å; F82-F412 AromaticContact CD2-CE1 3.83Å; F82-F412 HydrophobicContact CD2-CE1 3.83Å; F82-F412 AromaticContact CD2-CZ 3.76Å; F82-F412 HydrophobicContact CD2-CZ 3.76Å; F82-F412 HydrophobicContact CE2-CE1 4.37Å; F82-F412 AromaticContact CG-CE1 4Å; F82-F412 HydrophobicContact CG-CE1 4Å; F82-F412 HydrophobicContact CG-CE2 4.31Å; F82-F412 AromaticContact CG-CZ 3.42Å; F82-F412 HydrophobicContact CG-CZ 3.42Å; F82-F412 VanDerWaalsContact CG-CZ 3.42Å; F82-I780 HydrophobicContact CE2-CD1 3.7Å; F82-I780 HydrophobicContact CZ-CD1 3.66Å
83	V	98.3	Very high	95.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.			trans	-103.6	141.4	169.6	-60.8	0	0	0	0	110.9	T85 D317 H318 I339 V341 N362	V83-T85 PolarHBondContact O-N 2.92Å; V83-D317 WeakPolarHBondContact CG1-O 3.47Å; V83-H318 HydrophobicContact CG1-CB 4.27Å; V83-H318 HydrophobicContact CG2-CB 3.71Å; V83-I339 HydrophobicContact CG2-CB 4.33Å; V83-I339 WeakPolarHBondContact CG2-O 3.17Å; V83-I339 PolarHBondContact N-O 3.14Å; V83-V341 HydrophobicContact CG1-CG1 3.72Å; V83-V341 HydrophobicContact CG1-CG2 4.13Å; V83-N362 HydrophobicContact CB-CB 4.43Å; V83-N362 HydrophobicContact CG1-CB 4.09Å
84	T	97.2	Very high	96	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-69.6	-13.1	173.7	54	0	0	0	0	113.3	Y100 L361 N362 I363 V414 E415	T84-Y100 HydrophobicContact CG2-CD1 3.71Å; T84-Y100 HydrophobicContact CG2-CE1 3.25Å; T84-L361 HydrophobicContact CG2-CD1 4.37Å; T84-N362 WeakPolarHBondContact CG2-OD1 3.44Å; T84-N362 PolarHBondContact N-ND2 3.22Å; T84-N362 PolarHBondContact N-OD1 3.32Å; T84-N362 VanDerWaalsContact N-OD1 3.15Å; T84-N362 PolarHBondContact OG1-ND2 3.08Å; T84-N362 PolarHBondContact OG1-OD1 3.41Å; T84-N362 VanDerWaalsContact OG1-OD1 3.09Å; T84-I363 HydrophobicContact CG2-CD1 4.2Å; T84-I363 HydrophobicContact CG2-CG1 4.21Å; T84-I363 HydrophobicContact CG2-CG2 4Å; T84-V414 WeakPolarHBondContact O-CA 3.47Å; T84-E415 PolarHBondContact O-N 2.63Å
85	T	95.8	Very high	96.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.012	4%	0.039	C	C	.	.	S	Bend	trans	-157.3	125	179.8	-170.9	0	0	0	0	111.9	V83 M87 P90 S91 V101 E415	V83-T85 PolarHBondContact O-N 2.92Å; T85-M87 PolarHBondContact O-N 3.47Å; T85-P90 HydrophobicContact CG2-CB 3.48Å; T85-P90 VanDerWaalsContact CG2-CB 3.48Å; T85-S91 VanDerWaalsContact CG2-N 3.32Å; T85-V101 HydrophobicContact CG2-CG2 3.54Å; T85-E415 VanDerWaalsContact CB-O 3.27Å; T85-E415 WeakPolarHBondContact CB-O 3.48Å; T85-E415 PolarHBondContact OG1-O 2.69Å
86	P	95.3	Very high	96.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-82.4	54.2	-176.4	29.2	-31.8	0	0	0	113.3	S332 M333 D338 I339 Y774	P86-S332 VanDerWaalsContact O-CA 3.27Å; P86-S332 WeakPolarHBondContact O-CA 3.3Å; P86-S332 PolarHBondContact O-N 3.4Å; P86-M333 WeakPolarHBondContact CG-O 3.39Å; P86-D338 HydrophobicContact CB-CB 4.02Å; P86-D338 WeakPolarHBondContact CB-O 3.38Å; P86-I339 HydrophobicContact CB-CG2 4.01Å; P86-I339 HydrophobicContact CG-CG2 3.94Å; P86-Y774 WeakPolarHBondContact CG-OH 3.37Å
87	M	93.2	Very high	96.3	Very high	25 Å²	25	7.9 Å²	7.9	12%	0.123	4%	0.041	C	C	.	.	S	Bend	trans	-150.9	128.4	-177.7	-77.3	-65.1	-62.5	0	0	111.6	T85 C89 P90 S91 N109 H318 S332	T85-M87 PolarHBondContact O-N 3.47Å; M87-C89 PolarHBondContact O-N 3.36Å; M87-P90 HydrophobicContact CB-CB 4.17Å; M87-P90 HydrophobicContact CB-CG 3.7Å; M87-P90 WeakPolarHBondContact O-CD 3.28Å; M87-S91 WeakPolarHBondContact O-CB 3.41Å; M87-S91 PolarHBondContact O-N 3.39Å; M87-N109 HydrophobicContact CE-CB 4.17Å; M87-H318 PolarHBondContact N-CD2 3.03Å; M87-S332 VanDerWaalsContact SD-CB 3.51Å
88	C	93.6	Very high	96.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-48.5	-62.8	-169.7	-45.3	0	0	0	0	115.3	S91 R92 K143 N146 D317 H318 K331	C88-S91 PolarHBondContact O-N 2.77Å; C88-R92 VanDerWaalsContact O-CB 3.24Å; C88-R92 WeakPolarHBondContact O-CB 3.43Å; C88-R92 WeakPolarHBondContact O-CD 3.14Å; C88-R92 WeakPolarHBondContact O-CG 3.34Å; C88-R92 PolarHBondContact O-N 3.28Å; C88-K143 PolarHBondContact SG-NZ 3.42Å; C88-K143 VanDerWaalsContact SG-NZ 3.4Å; C88-N146 WeakPolarHBondContact CB-OD1 3.39Å; C88-D317 WeakPolarHBondContact CA-OD2 3.23Å; C88-D317 VanDerWaalsContact CB-OD2 3.26Å; C88-D317 WeakPolarHBondContact CB-OD2 3.45Å; C88-H318 PolarHBondContact N-CD2 3.24Å; C88-H318 VanDerWaalsContact N-CD2 3.25Å; C88-H318 PolarHBondContact N-NE2 2.02Å; C88-H318 VanDerWaalsContact N-NE2 3.1Å; C88-H318 PolarHBondContact SG-NE2 3.05Å; C88-K331 PolarHBondContact SG-NZ 3.13Å
89	C	93.8	Very high	96.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-71.3	-39.3	-172	-170.1	0	0	0	0	113.7	M87 S93 N109 C113 N146	M87-C89 PolarHBondContact O-N 3.36Å; C89-S93 VanDerWaalsContact O-CB 3.32Å; C89-S93 WeakPolarHBondContact O-CB 3.14Å; C89-S93 PolarHBondContact O-N 2.68Å; C89-S93 PolarHBondContact O-OG 2.97Å; C89-N109 WeakPolarHBondContact CB-OD1 3.3Å; C89-N109 PolarHBondContact N-OD1 2.83Å; C89-C113 HydrophobicContact CB-CB 3.88Å; C89-C113 WeakPolarHBondContact CB-SG 3.41Å; C89-C113 VanDerWaalsContact SG-CA 3.54Å; C89-C113 WeakPolarHBondContact SG-CB 3.49Å; C89-C113 CovalentContact SG-SG 2.02Å; C89-C113 PolarHBondContact SG-SG 3.43Å; C89-N146 HydrophobicContact CB-CB 4.15Å
90	P	94.9	Very high	96.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-51.1	-57.8	163.8	-28.5	36.1	0	0	0	112.2	T85 M87 R92 S93 S94 V101 H104 T106 N109	T85-P90 HydrophobicContact CG2-CB 3.48Å; T85-P90 VanDerWaalsContact CG2-CB 3.48Å; M87-P90 HydrophobicContact CB-CB 4.17Å; M87-P90 HydrophobicContact CB-CG 3.7Å; M87-P90 WeakPolarHBondContact O-CD 3.28Å; P90-R92 PolarHBondContact O-N 3.35Å; P90-S93 WeakPolarHBondContact O-CA 3.3Å; P90-S93 VanDerWaalsContact O-CB 3.28Å; P90-S93 WeakPolarHBondContact O-CB 3.27Å; P90-S93 PolarHBondContact O-N 2.04Å; P90-S93 VanDerWaalsContact O-N 3.11Å; P90-S94 PolarHBondContact O-N 3.02Å; P90-S94 PolarHBondContact O-OG 3.44Å; P90-V101 HydrophobicContact CB-CG2 4.35Å; P90-H104 PolarHBondContact O-CE1 2.77Å; P90-H104 PolarHBondContact O-NE2 3.16Å; P90-T106 WeakPolarHBondContact CA-O 3.26Å; P90-T106 WeakPolarHBondContact CB-O 3.33Å; P90-T106 WeakPolarHBondContact CG-O 3.25Å; P90-N109 VanDerWaalsContact CD-OD1 3.24Å; P90-N109 WeakPolarHBondContact CD-OD1 3.26Å
91	S	97.1	Very high	96.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-63.4	-44.9	-175.4	-174.1	0	0	0	0	112.9	T85 M87 C88 S93 S94 M95 D317 N362	T85-S91 VanDerWaalsContact CG2-N 3.32Å; M87-S91 WeakPolarHBondContact O-CB 3.41Å; M87-S91 PolarHBondContact O-N 3.39Å; C88-S91 PolarHBondContact O-N 2.77Å; S91-S93 VanDerWaalsContact C-N 3.27Å; S91-S93 PolarHBondContact O-N 3.11Å; S91-S94 CarbonylContact O-C 3.57Å; S91-S94 WeakPolarHBondContact O-CA 3.22Å; S91-S94 VanDerWaalsContact O-CB 3.22Å; S91-S94 WeakPolarHBondContact O-CB 3.36Å; S91-S94 PolarHBondContact O-N 3.25Å; S91-M95 WeakPolarHBondContact O-CG 3.25Å; S91-M95 PolarHBondContact O-N 2.98Å; S91-D317 WeakPolarHBondContact CB-O 3.43Å; S91-D317 PolarHBondContact OG-O 3.26Å; S91-N362 PolarHBondContact OG-ND2 3.32Å
92	R	97.3	Very high	96.2	Very high	4 Å²	4	4 Å²	4	2%	0.015	2%	0.019	C	C	.	.	H	α-helix	trans	-63.7	-31.9	176	-67.8	164.7	178.9	-85.3	-15.5	112	M50 T51 D52 C88 P90 L96 K143 Y144 L145 S221 D317	M50-R92 VanDerWaalsContact CE-NH1 3.34Å; T51-R92 PolarHBondContact O-NH2 2.75Å; D52-R92 IonicContact OD1-CZ 3.63Å; D52-R92 IonicContact OD1-NE 3.8Å; D52-R92 PolarHBondContact OD1-NE 3.1Å; D52-R92 IonicContact OD1-NH2 3.83Å; D52-R92 PolarHBondContact OD1-NH2 3.22Å; C88-R92 VanDerWaalsContact O-CB 3.24Å; C88-R92 WeakPolarHBondContact O-CB 3.43Å; C88-R92 WeakPolarHBondContact O-CD 3.14Å; C88-R92 WeakPolarHBondContact O-CG 3.34Å; C88-R92 PolarHBondContact O-N 3.28Å; P90-R92 PolarHBondContact O-N 3.35Å; R92-L96 WeakPolarHBondContact O-CB 3.29Å; R92-L96 WeakPolarHBondContact O-CD1 3.36Å; R92-L96 WeakPolarHBondContact O-CG 3.43Å; R92-L96 PolarHBondContact O-N 3.44Å; R92-K143 PolarHBondContact NH1-O 3.08Å; R92-Y144 WeakPolarHBondContact CD-O 3.37Å; R92-L145 HydrophobicContact CB-CD2 3.46Å; R92-L145 VanDerWaalsContact CB-CD2 3.46Å; R92-S221 PolarHBondContact NH1-OG 2.92Å; R92-D317 HydrophobicContact CG-CB 3.94Å; R92-D317 IonicContact CZ-OD2 3.85Å; R92-D317 IonicContact NE-OD2 3.99Å; R92-D317 PolarHBondContact NE-OD2 3.12Å; R92-D317 IonicContact NH2-OD1 2.82Å; R92-D317 IonicContact NH2-OD2 2.72Å; R92-D317 PolarHBondContact NH2-OD2 2.66Å
93	S	96.5	Very high	96	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.6	-42.4	169.1	-59.7	0	0	0	0	111.3	C89 P90 S91 L96 T97 H104 T106 W118	C89-S93 VanDerWaalsContact O-CB 3.32Å; C89-S93 WeakPolarHBondContact O-CB 3.14Å; C89-S93 PolarHBondContact O-N 2.68Å; C89-S93 PolarHBondContact O-OG 2.97Å; P90-S93 WeakPolarHBondContact O-CA 3.3Å; P90-S93 VanDerWaalsContact O-CB 3.28Å; P90-S93 WeakPolarHBondContact O-CB 3.27Å; P90-S93 PolarHBondContact O-N 2.04Å; P90-S93 VanDerWaalsContact O-N 3.11Å; S91-S93 VanDerWaalsContact C-N 3.27Å; S91-S93 PolarHBondContact O-N 3.11Å; S93-L96 PolarHBondContact O-N 3.42Å; S93-T97 WeakPolarHBondContact O-CB 3.45Å; S93-T97 WeakPolarHBondContact O-CG2 3.28Å; S93-T97 PolarHBondContact O-N 2.92Å; S93-T97 VanDerWaalsContact O-N 3.07Å; S93-T97 PolarHBondContact O-OG1 2.97Å; S93-H104 VanDerWaalsContact CB-CE1 3.4Å; S93-H104 WeakPolarHBondContact CB-CE1 3.38Å; S93-T106 PolarHBondContact OG-OG1 2.91Å; S93-W118 PolarHBondContact OG-NE1 3.23Å
94	S	97.6	Very high	95.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61	-42.9	175.5	-45.6	0	0	0	0	111.8	P90 S91 G98 K99 H104	P90-S94 PolarHBondContact O-N 3.02Å; P90-S94 PolarHBondContact O-OG 3.44Å; S91-S94 CarbonylContact O-C 3.57Å; S91-S94 WeakPolarHBondContact O-CA 3.22Å; S91-S94 VanDerWaalsContact O-CB 3.22Å; S91-S94 WeakPolarHBondContact O-CB 3.36Å; S91-S94 PolarHBondContact O-N 3.25Å; S94-G98 VanDerWaalsContact O-CA 3.28Å; S94-G98 WeakPolarHBondContact O-CA 3.27Å; S94-G98 PolarHBondContact O-N 3Å; S94-K99 VanDerWaalsContact CA-O 3.25Å; S94-K99 WeakPolarHBondContact CA-O 3.49Å; S94-K99 WeakPolarHBondContact CB-O 3.45Å; S94-K99 PolarHBondContact O-N 3.16Å; S94-K99 PolarHBondContact OG-O 3.35Å; S94-H104 PolarHBondContact N-NE2 3.41Å; S94-H104 PolarHBondContact OG-NE2 2.9Å
95	M	97.9	Very high	95.5	Very high	5 Å²	5	8.3 Å²	8.3	3%	0.025	4%	0.042	C	C	.	.	H	α-helix	trans	-64.8	-43.8	176.2	-66.6	176.1	156.3	0	0	113.2	M50 S91 T315 A316 N362 L365	M50-M95 HydrophobicContact SD-CE 4.15Å; M50-M95 HydrophobicContact SD-SD 3.47Å; S91-M95 WeakPolarHBondContact O-CG 3.25Å; S91-M95 PolarHBondContact O-N 2.98Å; M95-T315 HydrophobicContact CE-CG2 4.34Å; M95-A316 VanDerWaalsContact CE-O 3.24Å; M95-A316 WeakPolarHBondContact CE-O 3.26Å; M95-N362 HydrophobicContact CE-CB 3.75Å; M95-N362 HydrophobicContact CG-CB 3.74Å; M95-L365 HydrophobicContact CB-CD1 4.3Å; M95-L365 HydrophobicContact CE-CD1 3.97Å; M95-L365 HydrophobicContact CG-CD1 3.94Å; M95-L365 HydrophobicContact SD-CD1 4.18Å
96	L	97.6	Very high	95.3	Very high	10 Å²	10	8.2 Å²	8.2	5%	0.052	4%	0.042	C	C	.	.	H	α-helix	trans	-67.9	-35.7	-179.5	-75.2	165	0	0	0	112.4	R92 S93 W118 S126 F127 Y144 L145	R92-L96 WeakPolarHBondContact O-CB 3.29Å; R92-L96 WeakPolarHBondContact O-CD1 3.36Å; R92-L96 WeakPolarHBondContact O-CG 3.43Å; R92-L96 PolarHBondContact O-N 3.44Å; S93-L96 PolarHBondContact O-N 3.42Å; L96-W118 HydrophobicContact CD1-CH2 4.04Å; L96-W118 HydrophobicContact CD1-CZ2 4.34Å; L96-S126 CarbonylContact O-C 3.6Å; L96-S126 WeakPolarHBondContact O-CA 3.47Å; L96-S126 WeakPolarHBondContact O-CB 3.26Å; L96-F127 HydrophobicContact CD2-CE1 3.92Å; L96-F127 HydrophobicContact CD2-CZ 4.08Å; L96-F127 WeakPolarHBondContact O-CD1 3.49Å; L96-F127 PolarHBondContact O-N 2.89Å; L96-Y144 HydrophobicContact CD1-CD2 4.26Å; L96-Y144 HydrophobicContact CD1-CE2 3.5Å; L96-Y144 HydrophobicContact CD2-CE2 3.96Å; L96-Y144 HydrophobicContact CG-CE2 4.41Å; L96-L145 HydrophobicContact CD1-CD2 4.19Å; L96-L145 HydrophobicContact CD1-CG 4.36Å
97	T	97.1	Very high	94.9	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-104.7	-15	-171.6	62.6	0	0	0	0	114.8	S93 K99 W118 H122	S93-T97 WeakPolarHBondContact O-CB 3.45Å; S93-T97 WeakPolarHBondContact O-CG2 3.28Å; S93-T97 PolarHBondContact O-N 2.92Å; S93-T97 VanDerWaalsContact O-N 3.07Å; S93-T97 PolarHBondContact O-OG1 2.97Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-W118 HydrophobicContact CG2-CZ2 4.47Å; T97-H122 HydrophobicContact CG2-CB 4.05Å
98	G	97.6	Very high	94.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	25.4	-173.5	0	0	0	0	0	114.5	S94 I363 D382 G383	S94-G98 VanDerWaalsContact O-CA 3.28Å; S94-G98 WeakPolarHBondContact O-CA 3.27Å; S94-G98 PolarHBondContact O-N 3Å; G98-I363 WeakPolarHBondContact CA-O 3.33Å; G98-D382 PolarHBondContact O-N 3.22Å; G98-G383 PolarHBondContact O-N 3.19Å
99	K	97.1	Very high	94.3	Very high	19 Å²	19	9.5 Å²	9.5	8%	0.083	5%	0.048	C	C	.	.			trans	-124.3	153.9	-170.9	-65.9	171.3	-173.6	-85.9	0	113.6	S94 T97 N103 H104 I363 D380 D382	S94-K99 VanDerWaalsContact CA-O 3.25Å; S94-K99 WeakPolarHBondContact CA-O 3.49Å; S94-K99 WeakPolarHBondContact CB-O 3.45Å; S94-K99 PolarHBondContact O-N 3.16Å; S94-K99 PolarHBondContact OG-O 3.35Å; T97-K99 VanDerWaalsContact C-N 3.35Å; K99-N103 HydrophobicContact CB-CB 4.27Å; K99-H104 HydrophobicContact CB-CB 4.49Å; K99-H104 PolarHBondContact O-CD2 3.4Å; K99-I363 VanDerWaalsContact O-CG2 3.24Å; K99-I363 WeakPolarHBondContact O-CG2 3.32Å; K99-D380 WeakPolarHBondContact CE-O 3.22Å; K99-D380 VanDerWaalsContact NZ-CG 3.32Å; K99-D380 PolarHBondContact NZ-O 2.73Å; K99-D380 IonicContact NZ-OD2 2.73Å; K99-D380 PolarHBondContact NZ-OD2 3Å; K99-D382 VanDerWaalsContact CA-OD2 3.24Å; K99-D382 WeakPolarHBondContact CA-OD2 3.42Å
100	Y	96.9	Very high	93.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.			trans	-70	162.3	167.3	-80	-83.1	0	0	0	113	T84 H102 N103 H104 I363 D382 L413 C839	T84-Y100 HydrophobicContact CG2-CD1 3.71Å; T84-Y100 HydrophobicContact CG2-CE1 3.25Å; Y100-H102 WeakPolarHBondContact CB-CE1 3.47Å; Y100-H102 WeakPolarHBondContact CB-ND1 3.42Å; Y100-H102 AromaticContact CG-CE1 3.7Å; Y100-H102 PolarHBondContact O-N 3.16Å; Y100-N103 PolarHBondContact O-N 3.12Å; Y100-H104 PolarHBondContact O-CD2 2.82Å; Y100-H104 PolarHBondContact O-N 2.99Å; Y100-I363 HydrophobicContact CD2-CD1 3.93Å; Y100-I363 HydrophobicContact CE1-CD1 4.42Å; Y100-I363 HydrophobicContact CE2-CD1 3.35Å; Y100-D382 HydrophobicContact CD2-CB 3.66Å; Y100-D382 HydrophobicContact CE2-CB 4.12Å; Y100-D382 PolarHBondContact N-OD2 2.84Å; Y100-L413 HydrophobicContact CD1-CB 4.33Å; Y100-L413 HydrophobicContact CD1-CD2 4.11Å; Y100-L413 HydrophobicContact CE1-CB 3.7Å; Y100-L413 HydrophobicContact CE1-CD2 4.32Å; Y100-L413 HydrophobicContact CE1-CG 4.37Å; Y100-L413 WeakPolarHBondContact CE1-O 3.1Å; Y100-C839 HydrophobicContact CD2-CB 4.14Å; Y100-C839 HydrophobicContact CE2-CB 3.83Å
101	V	94.4	Very high	92.3	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-67.8	-36.1	-174.8	-172.8	0	0	0	0	111.5	T85 P90 N103 H104 N105 T106 Y107 E415	T85-V101 HydrophobicContact CG2-CG2 3.54Å; P90-V101 HydrophobicContact CB-CG2 4.35Å; V101-N103 PolarHBondContact O-N 2.61Å; V101-H104 PolarHBondContact O-N 2.82Å; V101-N105 VanDerWaalsContact O-CA 3.31Å; V101-N105 WeakPolarHBondContact O-CA 3.31Å; V101-N105 PolarHBondContact O-N 3.39Å; V101-T106 VanDerWaalsContact CG1-O 3.32Å; V101-T106 WeakPolarHBondContact CG1-O 3.4Å; V101-Y107 HydrophobicContact CG1-CD1 3.63Å; V101-Y107 HydrophobicContact CG1-CE1 4Å; V101-Y107 HydrophobicContact CG1-CG 4.36Å; V101-E415 WeakPolarHBondContact CA-OE1 3.23Å; V101-E415 HydrophobicContact CB-CG 3.9Å; V101-E415 WeakPolarHBondContact CB-OE1 3.45Å; V101-E415 HydrophobicContact CG2-CG 4.01Å; V101-E415 PolarHBondContact N-OE1 2.97Å
102	H	93.7	Very high	91.3	Very high	14 Å²	14	20.3 Å²	20.3	7%	0.065	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-28.9	171.5	57	-90.3	0	0	0	113.2	Y100 N105 E415 I419 M830 C833	Y100-H102 WeakPolarHBondContact CB-CE1 3.47Å; Y100-H102 WeakPolarHBondContact CB-ND1 3.42Å; Y100-H102 AromaticContact CG-CE1 3.7Å; Y100-H102 PolarHBondContact O-N 3.16Å; H102-N105 PolarHBondContact O-ND2 2.82Å; H102-E415 IonicContact CE1-OE1 3.49Å; H102-E415 IonicContact CG-OE1 2.9Å; H102-E415 IonicContact CG-OE2 3.73Å; H102-E415 PolarHBondContact N-OE1 3.3Å; H102-E415 IonicContact ND1-OE1 2.72Å; H102-E415 PolarHBondContact ND1-OE1 3.46Å; H102-E415 IonicContact ND1-OE2 3.37Å; H102-E415 PolarHBondContact ND1-OE2 3.43Å; H102-I419 HydrophobicContact CB-CD1 3.62Å; H102-I419 HydrophobicContact CB-CG1 4.48Å; H102-M830 PolarHBondContact CE1-O 3.02Å; H102-C833 PolarHBondContact NE2-O 2.74Å; H102-C833 VanDerWaalsContact NE2-O 3.13Å
103	N	94.3	Very high	90.6	Very high	21 Å²	21	20.3 Å²	20.3	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-90.9	-27.2	-178.5	-71.3	-28.9	0	0	0	114.5	K99 Y100 V101 D382 C833 Q834	K99-N103 HydrophobicContact CB-CB 4.27Å; Y100-N103 PolarHBondContact O-N 3.12Å; V101-N103 PolarHBondContact O-N 2.61Å; N103-D382 PolarHBondContact ND2-OD1 2.91Å; N103-D382 PolarHBondContact ND2-OD2 3.36Å; N103-C833 PolarHBondContact ND2-O 3.13Å; N103-Q834 PolarHBondContact OD1-NE2 2.88Å
104	H	92.8	Very high	90.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-106.3	-0.8	173.5	71.2	70.6	0	0	0	115.1	P90 S93 S94 K99 Y100 V101 T106 H122	P90-H104 PolarHBondContact O-CE1 2.77Å; P90-H104 PolarHBondContact O-NE2 3.16Å; S93-H104 VanDerWaalsContact CB-CE1 3.4Å; S93-H104 WeakPolarHBondContact CB-CE1 3.38Å; S94-H104 PolarHBondContact N-NE2 3.41Å; S94-H104 PolarHBondContact OG-NE2 2.9Å; K99-H104 HydrophobicContact CB-CB 4.49Å; K99-H104 PolarHBondContact O-CD2 3.4Å; Y100-H104 PolarHBondContact O-CD2 2.82Å; Y100-H104 PolarHBondContact O-N 2.99Å; V101-H104 PolarHBondContact O-N 2.82Å; H104-T106 VanDerWaalsContact ND1-CB 3.33Å; H104-T106 WeakPolarHBondContact ND1-CB 3.02Å; H104-T106 PolarHBondContact ND1-N 3.18Å; H104-T106 PolarHBondContact ND1-OG1 3.07Å; H104-T106 PolarHBondContact O-N 2.93Å; H104-T106 PolarHBondContact O-OG1 3.22Å; H104-H122 PolarHBondContact O-CD2 3.43Å; H104-H122 PolarHBondContact O-NE2 2.99Å
105	N	91.3	Very high	89.6	Confident	68 Å²	68	22 Å²	22	36%	0.364	12%	0.117	S	C	.	.			trans	55.4	21.5	170.3	-71.5	-93.3	0	0	0	116.5	V101 H102 Y107 N112	V101-N105 VanDerWaalsContact O-CA 3.31Å; V101-N105 WeakPolarHBondContact O-CA 3.31Å; V101-N105 PolarHBondContact O-N 3.39Å; H102-N105 PolarHBondContact O-ND2 2.82Å; N105-Y107 HydrophobicContact CB-CE2 3.85Å; N105-Y107 WeakPolarHBondContact O-CD2 3.37Å; N105-Y107 WeakPolarHBondContact O-CE2 3.2Å; N105-Y107 PolarHBondContact O-N 3.08Å; N105-Y107 WeakPolarHBondContact OD1-CE2 3.45Å; N105-Y107 PolarHBondContact OD1-OH 3Å; N105-N112 WeakPolarHBondContact O-CB 3.3Å; N105-N112 PolarHBondContact O-ND2 2.93Å
106	T	91.2	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.			trans	-94.1	84.1	176	-43.6	0	0	0	0	109.7	P90 S93 V101 H104 C113 W118	P90-T106 WeakPolarHBondContact CA-O 3.26Å; P90-T106 WeakPolarHBondContact CB-O 3.33Å; P90-T106 WeakPolarHBondContact CG-O 3.25Å; S93-T106 PolarHBondContact OG-OG1 2.91Å; V101-T106 VanDerWaalsContact CG1-O 3.32Å; V101-T106 WeakPolarHBondContact CG1-O 3.4Å; H104-T106 VanDerWaalsContact ND1-CB 3.33Å; H104-T106 WeakPolarHBondContact ND1-CB 3.02Å; H104-T106 PolarHBondContact ND1-N 3.18Å; H104-T106 PolarHBondContact ND1-OG1 3.07Å; H104-T106 PolarHBondContact O-N 2.93Å; H104-T106 PolarHBondContact O-OG1 3.22Å; T106-C113 HydrophobicContact CG2-CB 4.2Å; T106-W118 PolarHBondContact OG1-NE1 3.16Å
107	Y	88.2	Confident	88.8	Confident	21 Å²	21	29.2 Å²	29.2	8%	0.082	17%	0.166	C	C	.	.			trans	-85.2	-17.5	-168.7	-60.7	-74.4	0	0	0	115.9	V101 N105 G417 K418 I419	V101-Y107 HydrophobicContact CG1-CD1 3.63Å; V101-Y107 HydrophobicContact CG1-CE1 4Å; V101-Y107 HydrophobicContact CG1-CG 4.36Å; N105-Y107 HydrophobicContact CB-CE2 3.85Å; N105-Y107 WeakPolarHBondContact O-CD2 3.37Å; N105-Y107 WeakPolarHBondContact O-CE2 3.2Å; N105-Y107 PolarHBondContact O-N 3.08Å; N105-Y107 WeakPolarHBondContact OD1-CE2 3.45Å; N105-Y107 PolarHBondContact OD1-OH 3Å; Y107-G417 WeakPolarHBondContact CD1-O 3.35Å; Y107-K418 HydrophobicContact CD2-CG 4.29Å; Y107-K418 HydrophobicContact CG-CG 4.19Å; Y107-I419 HydrophobicContact CE1-CG1 4.1Å; Y107-I419 WeakPolarHBondContact OH-CD1 3.32Å
108	T	87.4	Confident	88.6	Confident	17 Å²	17	29.4 Å²	29.4	10%	0.104	17%	0.167	C	C	.	.	S	Bend	trans	-150.1	170.9	-178.3	78.7	0	0	0	0	112.3	N110 E111 C113	T108-N110 VanDerWaalsContact C-N 3.31Å; T108-N110 PolarHBondContact O-N 3.01Å; T108-N110 PolarHBondContact OG1-N 2.95Å; T108-E111 WeakPolarHBondContact OG1-CB 3.38Å; T108-E111 PolarHBondContact OG1-N 3.15Å; T108-C113 WeakPolarHBondContact O-CB 3.24Å
109	N	86.4	Confident	88.4	Confident	15 Å²	15	31.8 Å²	31.8	8%	0.08	18%	0.178	C	C	.	.	S	Bend	trans	-76.3	-6.7	174.6	-69.9	3.7	0	0	0	115.1	M87 C89 P90 N146	M87-N109 HydrophobicContact CE-CB 4.17Å; C89-N109 WeakPolarHBondContact CB-OD1 3.3Å; C89-N109 PolarHBondContact N-OD1 2.83Å; P90-N109 VanDerWaalsContact CD-OD1 3.24Å; P90-N109 WeakPolarHBondContact CD-OD1 3.26Å; N109-N146 HydrophobicContact CB-CB 4.24Å; N109-N146 PolarHBondContact ND2-OD1 3.4Å
110	N	78.4	Confident	88.2	Confident	98 Å²	98	34.4 Å²	34.4	52%	0.524	20%	0.203	S	C	.	.	S	Bend	trans	-131.6	3	-175	-41.7	-93.6	0	0	0	113.8	T108	T108-N110 VanDerWaalsContact C-N 3.31Å; T108-N110 PolarHBondContact O-N 3.01Å; T108-N110 PolarHBondContact OG1-N 2.95Å
111	E	67.3	Low	88	Confident	47 Å²	47	39.6 Å²	39.6	22%	0.22	23%	0.227	C	C	.	.	S	Bend	trans	-140.9	131.1	178.2	-59.4	-166.6	151.5	0	0	108.1	T108 C113 K418 R719	T108-E111 WeakPolarHBondContact OG1-CB 3.38Å; T108-E111 PolarHBondContact OG1-N 3.15Å; E111-C113 PolarHBondContact O-N 3.47Å; E111-K418 WeakPolarHBondContact OE2-CE 3.25Å; E111-K418 IonicContact OE2-NZ 3.59Å; E111-K418 PolarHBondContact OE2-NZ 2.86Å; E111-R719 IonicContact OE1-CZ 2.73Å; E111-R719 IonicContact OE1-NH1 3.46Å; E111-R719 PolarHBondContact OE1-NH1 3.24Å; E111-R719 IonicContact OE1-NH2 2.73Å; E111-R719 PolarHBondContact OE1-NH2 3.17Å
112	N	76.5	Confident	88	Confident	81 Å²	81	40.5 Å²	40.5	43%	0.433	23%	0.231	S	C	.	.	S	Bend	trans	62.5	-23.5	-171.2	-59.1	-0.6	0	0	0	116.1	N105 S114 S115	N105-N112 WeakPolarHBondContact O-CB 3.3Å; N105-N112 PolarHBondContact O-ND2 2.93Å; N112-S114 PolarHBondContact O-N 3.29Å; N112-S115 WeakPolarHBondContact O-CB 3.24Å; N112-S115 PolarHBondContact O-N 3.37Å; N112-S115 VanDerWaalsContact O-N 3.14Å; N112-S115 PolarHBondContact O-OG 3.14Å
113	C	83.1	Confident	88	Confident	4 Å²	4	40 Å²	40	3%	0.027	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	132	172.5	-177	0	0	0	0	112.3	C89 T106 T108 E111 S115 N146	C89-C113 HydrophobicContact CB-CB 3.88Å; C89-C113 WeakPolarHBondContact CB-SG 3.41Å; C89-C113 VanDerWaalsContact SG-CA 3.54Å; C89-C113 WeakPolarHBondContact SG-CB 3.49Å; C89-C113 CovalentContact SG-SG 2.02Å; C89-C113 PolarHBondContact SG-SG 3.43Å; T106-C113 HydrophobicContact CG2-CB 4.2Å; T108-C113 WeakPolarHBondContact O-CB 3.24Å; E111-C113 PolarHBondContact O-N 3.47Å; C113-S115 PolarHBondContact O-N 2.87Å; C113-N146 VanDerWaalsContact SG-C 3.59Å; C113-N146 PolarHBondContact SG-O 3.27Å
114	S	84.6	Confident	88	Confident	11 Å²	11	41.7 Å²	41.7	8%	0.077	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	19.2	-176.5	-59.6	0	0	0	0	115.1	N112 Q119 L145 N146	N112-S114 PolarHBondContact O-N 3.29Å; S114-Q119 PolarHBondContact O-NE2 3Å; S114-L145 VanDerWaalsContact OG-CB 3.23Å; S114-L145 WeakPolarHBondContact OG-CB 3.34Å; S114-N146 WeakPolarHBondContact CB-O 3.39Å; S114-N146 PolarHBondContact OG-O 3.19Å
115	S	88.3	Confident	88.1	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.182	26%	0.264	C	S	.	.			trans	-74.1	157.6	-171.8	67.1	0	0	0	0	112.1	N112 C113 S117 W118 Q119	N112-S115 WeakPolarHBondContact O-CB 3.24Å; N112-S115 PolarHBondContact O-N 3.37Å; N112-S115 VanDerWaalsContact O-N 3.14Å; N112-S115 PolarHBondContact O-OG 3.14Å; C113-S115 PolarHBondContact O-N 2.87Å; S115-S117 PolarHBondContact O-N 2.59Å; S115-S117 VanDerWaalsContact O-N 3.11Å; S115-W118 WeakPolarHBondContact O-CA 3.28Å; S115-W118 WeakPolarHBondContact O-CB 3.25Å; S115-W118 PolarHBondContact O-N 3.19Å; S115-W118 PolarHBondContact OG-N 2.86Å; S115-Q119 WeakPolarHBondContact O-CG 3.2Å; S115-Q119 PolarHBondContact O-N 2.89Å
116	P	89.4	Confident	88.4	Confident	101 Å²	101	44.4 Å²	44.4	66%	0.656	25%	0.246	S	C	*	.	H	α-helix	trans	-55.2	-29.6	175.3	-28	36.3	0	0	0	114.1	A120	P116-A120 VanDerWaalsContact O-CB 3.29Å; P116-A120 WeakPolarHBondContact O-CB 3.19Å; P116-A120 PolarHBondContact O-N 2.81Å
117	S	89.5	Confident	88.6	Confident	64 Å²	64	44.6 Å²	44.6	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-68.4	-41.6	173.3	-163.5	0	0	0	0	111.9	S115 A120 Q121	S115-S117 PolarHBondContact O-N 2.59Å; S115-S117 VanDerWaalsContact O-N 3.11Å; S117-A120 PolarHBondContact O-N 2.87Å; S117-Q121 VanDerWaalsContact O-CB 3.27Å; S117-Q121 WeakPolarHBondContact O-CB 3.24Å; S117-Q121 VanDerWaalsContact O-CG 3.3Å; S117-Q121 WeakPolarHBondContact O-CG 3.5Å; S117-Q121 PolarHBondContact O-N 2.95Å; S117-Q121 PolarHBondContact OG-OE1 3.16Å
118	W	92.4	Very high	89	Confident	5 Å²	5	43.6 Å²	43.6	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-41.7	177.7	-171.5	92.2	0	0	0	111.6	S93 L96 T97 T106 S115 A120 Q121 H122 E123 Y144 L145	S93-W118 PolarHBondContact OG-NE1 3.23Å; L96-W118 HydrophobicContact CD1-CH2 4.04Å; L96-W118 HydrophobicContact CD1-CZ2 4.34Å; T97-W118 HydrophobicContact CG2-CZ2 4.47Å; T106-W118 PolarHBondContact OG1-NE1 3.16Å; S115-W118 WeakPolarHBondContact O-CA 3.28Å; S115-W118 WeakPolarHBondContact O-CB 3.25Å; S115-W118 PolarHBondContact O-N 3.19Å; S115-W118 PolarHBondContact OG-N 2.86Å; W118-A120 VanDerWaalsContact C-N 3.3Å; W118-A120 PolarHBondContact O-N 2.98Å; W118-Q121 PolarHBondContact O-N 3.34Å; W118-H122 AromaticContact CD1-CD2 3.63Å; W118-H122 HydrophobicContact CD2-CB 4.25Å; W118-H122 HydrophobicContact CG-CB 4.18Å; W118-H122 HydrophobicContact CZ2-CB 4.42Å; W118-H122 PolarHBondContact O-N 3.38Å; W118-E123 HydrophobicContact CE3-CB 3.93Å; W118-E123 HydrophobicContact CE3-CG 4.36Å; W118-E123 HydrophobicContact CH2-CB 4Å; W118-E123 HydrophobicContact CH2-CG 4.03Å; W118-E123 HydrophobicContact CZ3-CB 3.51Å; W118-E123 HydrophobicContact CZ3-CG 3.55Å; W118-E123 WeakPolarHBondContact CZ3-OE1 3.15Å; W118-E123 PolarHBondContact O-N 2.88Å; W118-Y144 HydrophobicContact CH2-CE1 4.44Å; W118-Y144 WeakPolarHBondContact CH2-OH 3.46Å; W118-Y144 HydrophobicContact CZ3-CE1 4.22Å; W118-L145 HydrophobicContact CD2-CD1 4.25Å; W118-L145 HydrophobicContact CE3-CD1 3.93Å; W118-L145 HydrophobicContact CH2-CD1 3.48Å; W118-L145 VanDerWaalsContact CH2-CD1 3.48Å; W118-L145 HydrophobicContact CZ2-CD1 3.79Å; W118-L145 HydrophobicContact CZ3-CD1 3.52Å
119	Q	93.8	Very high	89.5	Confident	51 Å²	51	43.7 Å²	43.7	24%	0.238	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-37.8	172.3	-66.8	172.9	16.5	0	0	112.5	S114 S115 P124 Y152	S114-Q119 PolarHBondContact O-NE2 3Å; S115-Q119 WeakPolarHBondContact O-CG 3.2Å; S115-Q119 PolarHBondContact O-N 2.89Å; Q119-P124 VanDerWaalsContact O-CD 3.26Å; Q119-P124 WeakPolarHBondContact O-CD 3.5Å; Q119-P124 WeakPolarHBondContact O-CG 3.43Å; Q119-Y152 HydrophobicContact CG-CE2 4.48Å; Q119-Y152 WeakPolarHBondContact CG-OH 3.44Å; Q119-Y152 PolarHBondContact NE2-OH 3.05Å
120	A	92.3	Very high	90	Very high	74 Å²	74	46 Å²	46	61%	0.612	25%	0.252	S	S	*	.	H	α-helix	trans	-80.1	-32.1	179.1	0	0	0	0	0	114	P116 S117 W118	P116-A120 VanDerWaalsContact O-CB 3.29Å; P116-A120 WeakPolarHBondContact O-CB 3.19Å; P116-A120 PolarHBondContact O-N 2.81Å; S117-A120 PolarHBondContact O-N 2.87Å; W118-A120 VanDerWaalsContact C-N 3.3Å; W118-A120 PolarHBondContact O-N 2.98Å
121	Q	92.1	Very high	90.8	Very high	108 Å²	108	41.4 Å²	41.4	51%	0.505	23%	0.227	S	C	.	.	H	α-helix	trans	-107	-34.7	-167.6	-65.5	174.2	-6.6	0	0	114.6	S117 W118	S117-Q121 VanDerWaalsContact O-CB 3.27Å; S117-Q121 WeakPolarHBondContact O-CB 3.24Å; S117-Q121 VanDerWaalsContact O-CG 3.3Å; S117-Q121 WeakPolarHBondContact O-CG 3.5Å; S117-Q121 PolarHBondContact O-N 2.95Å; S117-Q121 PolarHBondContact OG-OE1 3.16Å; W118-Q121 PolarHBondContact O-N 3.34Å
122	H	94.3	Very high	92	Very high	22 Å²	22	40.8 Å²	40.8	10%	0.102	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-42.7	-167.1	-66	-50.8	0	0	0	112.9	T97 H104 W118 P124 R125 S126	T97-H122 HydrophobicContact CG2-CB 4.05Å; H104-H122 PolarHBondContact O-CD2 3.43Å; H104-H122 PolarHBondContact O-NE2 2.99Å; W118-H122 AromaticContact CD1-CD2 3.63Å; W118-H122 HydrophobicContact CD2-CB 4.25Å; W118-H122 HydrophobicContact CG-CB 4.18Å; W118-H122 HydrophobicContact CZ2-CB 4.42Å; W118-H122 PolarHBondContact O-N 3.38Å; H122-P124 VanDerWaalsContact C-CD 3.44Å; H122-R125 CarbonylContact O-C 3.53Å; H122-R125 WeakPolarHBondContact O-CA 3.19Å; H122-R125 PolarHBondContact O-N 2.71Å; H122-S126 PolarHBondContact O-N 2.78Å
123	E	94.3	Very high	92.8	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.023	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.1	-41.9	176	-159.3	176.4	-122.9	0	0	113.9	W118 R125 S126 Y152 P154 P155	W118-E123 HydrophobicContact CE3-CB 3.93Å; W118-E123 HydrophobicContact CE3-CG 4.36Å; W118-E123 HydrophobicContact CH2-CB 4Å; W118-E123 HydrophobicContact CH2-CG 4.03Å; W118-E123 HydrophobicContact CZ3-CB 3.51Å; W118-E123 HydrophobicContact CZ3-CG 3.55Å; W118-E123 WeakPolarHBondContact CZ3-OE1 3.15Å; W118-E123 PolarHBondContact O-N 2.88Å; E123-R125 PolarHBondContact O-N 2.85Å; E123-R125 VanDerWaalsContact O-N 3.16Å; E123-S126 WeakPolarHBondContact O-CB 3.22Å; E123-S126 PolarHBondContact O-N 3.32Å; E123-S126 VanDerWaalsContact O-N 3.16Å; E123-S126 PolarHBondContact O-OG 3.45Å; E123-Y152 PolarHBondContact OE1-OH 3.18Å; E123-Y152 WeakPolarHBondContact OE2-CE2 3.33Å; E123-P154 HydrophobicContact CG-CB 4.28Å; E123-P154 WeakPolarHBondContact OE1-CB 3.31Å; E123-P155 HydrophobicContact CG-CG 4.04Å; E123-P155 WeakPolarHBondContact OE2-CD 3.15Å
124	P	95.5	Very high	93.1	Very high	56 Å²	56	44.3 Å²	44.3	36%	0.364	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-71.7	-8	178.1	-16.6	34.1	0	0	0	113.6	Q119 H122 V129	Q119-P124 VanDerWaalsContact O-CD 3.26Å; Q119-P124 WeakPolarHBondContact O-CD 3.5Å; Q119-P124 WeakPolarHBondContact O-CG 3.43Å; H122-P124 VanDerWaalsContact C-CD 3.44Å; P124-V129 WeakPolarHBondContact O-CG1 3.25Å
125	R	94.6	Very high	93.4	Very high	127 Å²	127	45.2 Å²	45.2	48%	0.479	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-113.2	19.6	176.3	-54.6	-173.1	-171.6	-168.3	3.5	112.1	H122 E123 Y130 D380	H122-R125 CarbonylContact O-C 3.53Å; H122-R125 WeakPolarHBondContact O-CA 3.19Å; H122-R125 PolarHBondContact O-N 2.71Å; E123-R125 PolarHBondContact O-N 2.85Å; E123-R125 VanDerWaalsContact O-N 3.16Å; R125-Y130 HydrophobicContact CB-CE2 4.49Å; R125-Y130 VanDerWaalsContact O-CE2 3.29Å; R125-Y130 WeakPolarHBondContact O-CE2 3.47Å; R125-D380 IonicContact NH1-OD2 2.71Å; R125-D380 PolarHBondContact NH1-OD2 2.73Å; R125-D380 VanDerWaalsContact NH1-OD2 3.14Å
126	S	96.4	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-75.4	155.4	172.5	62.3	0	0	0	0	111.6	L96 H122 E123 A128 V129 Y130	L96-S126 CarbonylContact O-C 3.6Å; L96-S126 WeakPolarHBondContact O-CA 3.47Å; L96-S126 WeakPolarHBondContact O-CB 3.26Å; H122-S126 PolarHBondContact O-N 2.78Å; E123-S126 WeakPolarHBondContact O-CB 3.22Å; E123-S126 PolarHBondContact O-N 3.32Å; E123-S126 VanDerWaalsContact O-N 3.16Å; E123-S126 PolarHBondContact O-OG 3.45Å; S126-A128 PolarHBondContact O-N 3.31Å; S126-V129 PolarHBondContact O-N 3.49Å; S126-V129 VanDerWaalsContact O-N 3.12Å; S126-Y130 VanDerWaalsContact O-CD2 3.27Å; S126-Y130 WeakPolarHBondContact O-CD2 3.46Å; S126-Y130 PolarHBondContact O-N 3.03Å
127	F	97	Very high	94.1	Very high	3 Å²	3	41 Å²	41	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-54.2	-30.6	178.2	65.9	-108.6	0	0	0	112.9	L48 L96 Y130 L131 W157 M217 V219 A366 I369	L48-F127 HydrophobicContact CD2-CZ 4.38Å; L96-F127 HydrophobicContact CD2-CE1 3.92Å; L96-F127 HydrophobicContact CD2-CZ 4.08Å; L96-F127 WeakPolarHBondContact O-CD1 3.49Å; L96-F127 PolarHBondContact O-N 2.89Å; F127-Y130 PolarHBondContact O-N 3.41Å; F127-L131 WeakPolarHBondContact O-CD1 3.48Å; F127-L131 PolarHBondContact O-N 2.96Å; F127-W157 AromaticContact CE2-CH2 3.87Å; F127-W157 HydrophobicContact CE2-CH2 3.87Å; F127-W157 HydrophobicContact CZ-CH2 4.36Å; F127-M217 HydrophobicContact CD2-CE 4.29Å; F127-M217 HydrophobicContact CE2-CE 3.54Å; F127-M217 HydrophobicContact CE2-SD 4.06Å; F127-M217 HydrophobicContact CZ-CE 4.26Å; F127-V219 HydrophobicContact CE2-CG2 4.35Å; F127-V219 HydrophobicContact CZ-CG2 4.19Å; F127-A366 HydrophobicContact CB-CB 4.15Å; F127-A366 HydrophobicContact CD1-CB 4.06Å; F127-I369 HydrophobicContact CB-CG2 4.42Å; F127-I369 HydrophobicContact CD1-CD1 4.2Å; F127-I369 HydrophobicContact CD2-CD1 4.13Å; F127-I369 HydrophobicContact CD2-CG2 3.98Å; F127-I369 HydrophobicContact CE1-CD1 4.1Å; F127-I369 HydrophobicContact CE2-CD1 4.09Å; F127-I369 HydrophobicContact CG-CD1 4.22Å; F127-I369 HydrophobicContact CG-CG2 4.35Å; F127-I369 HydrophobicContact CZ-CD1 4.07Å
128	A	96.4	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-41.7	-179.9	0	0	0	0	0	112.8	S126 L131 N132 W157	S126-A128 PolarHBondContact O-N 3.31Å; A128-L131 PolarHBondContact O-N 3.35Å; A128-N132 VanDerWaalsContact O-CB 3.3Å; A128-N132 WeakPolarHBondContact O-CB 3.31Å; A128-N132 PolarHBondContact O-N 2.84Å; A128-W157 HydrophobicContact CB-CD2 3.93Å; A128-W157 VanDerWaalsContact CB-CE2 3.48Å; A128-W157 HydrophobicContact CB-CE3 4.12Å; A128-W157 HydrophobicContact CB-CH2 3.54Å; A128-W157 HydrophobicContact CB-CZ2 3.3Å; A128-W157 HydrophobicContact CB-CZ3 3.94Å
129	V	96.7	Very high	94.8	Very high	20 Å²	20	37.7 Å²	37.7	12%	0.121	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-46.6	177.7	179.6	0	0	0	0	110.3	P124 S126 L131 N132 N133 P155	P124-V129 WeakPolarHBondContact O-CG1 3.25Å; S126-V129 PolarHBondContact O-N 3.49Å; S126-V129 VanDerWaalsContact O-N 3.12Å; V129-L131 PolarHBondContact O-N 2.99Å; V129-N132 PolarHBondContact O-N 2.99Å; V129-N133 WeakPolarHBondContact O-CB 3.5Å; V129-N133 PolarHBondContact O-N 3.37Å; V129-N133 VanDerWaalsContact O-N 3.15Å; V129-N133 PolarHBondContact O-ND2 2.72Å; V129-N133 PolarHBondContact O-OD1 2.78Å; V129-P155 HydrophobicContact CG2-CB 3.94Å; V129-P155 HydrophobicContact CG2-CG 4.14Å; V129-P155 VanDerWaalsContact CG2-O 3.28Å; V129-P155 WeakPolarHBondContact CG2-O 3.22Å
130	Y	96.4	Very high	95	Very high	64 Å²	64	35.5 Å²	35.5	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-57.6	-46.6	175.9	-67.7	-63.5	0	0	0	111.9	R125 S126 F127 L370 P378 M381	R125-Y130 HydrophobicContact CB-CE2 4.49Å; R125-Y130 VanDerWaalsContact O-CE2 3.29Å; R125-Y130 WeakPolarHBondContact O-CE2 3.47Å; S126-Y130 VanDerWaalsContact O-CD2 3.27Å; S126-Y130 WeakPolarHBondContact O-CD2 3.46Å; S126-Y130 PolarHBondContact O-N 3.03Å; F127-Y130 PolarHBondContact O-N 3.41Å; Y130-L370 VanDerWaalsContact CB-CD2 3.49Å; Y130-L370 HydrophobicContact CD2-CD2 4.13Å; Y130-L370 HydrophobicContact CG-CD2 4.02Å; Y130-P378 HydrophobicContact CE1-CG 4.13Å; Y130-P378 HydrophobicContact CE2-CG 3.95Å; Y130-M381 HydrophobicContact CD2-CE 4.32Å; Y130-M381 HydrophobicContact CE2-CE 3.92Å
131	L	95.3	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-45.5	179.2	-96.3	67.4	0	0	0	112.7	I46 F127 A128 V129 N133 T134 Y136 T138 M217 I369 L370 A373 L375	I46-L131 HydrophobicContact CD1-CD2 4.01Å; F127-L131 WeakPolarHBondContact O-CD1 3.48Å; F127-L131 PolarHBondContact O-N 2.96Å; A128-L131 PolarHBondContact O-N 3.35Å; V129-L131 PolarHBondContact O-N 2.99Å; L131-N133 PolarHBondContact O-N 3.25Å; L131-T134 PolarHBondContact O-N 2.9Å; L131-T134 PolarHBondContact O-OG1 2.97Å; L131-Y136 HydrophobicContact CB-CD2 4.45Å; L131-Y136 HydrophobicContact CB-CG 4.36Å; L131-Y136 HydrophobicContact CD2-CD1 4.25Å; L131-Y136 HydrophobicContact CD2-CD2 4.48Å; L131-Y136 HydrophobicContact CD2-CE1 4.42Å; L131-Y136 HydrophobicContact CD2-CG 4.29Å; L131-Y136 HydrophobicContact CG-CD2 4.18Å; L131-Y136 HydrophobicContact CG-CG 4.33Å; L131-T138 HydrophobicContact CB-CG2 4.09Å; L131-M217 HydrophobicContact CD2-CB 3.79Å; L131-M217 HydrophobicContact CD2-CG 3.62Å; L131-M217 HydrophobicContact CD2-SD 4.5Å; L131-I369 HydrophobicContact CD1-CG2 3.92Å; L131-I369 HydrophobicContact CD2-CG2 3.59Å; L131-I369 HydrophobicContact CG-CG2 4.44Å; L131-L370 HydrophobicContact CD1-CD2 3.8Å; L131-A373 HydrophobicContact CD1-CB 3.89Å; L131-A373 HydrophobicContact CD2-CB 4.31Å; L131-A373 HydrophobicContact CG-CB 3.9Å; L131-L375 HydrophobicContact CD1-CD1 4.3Å
132	N	94.1	Very high	95.6	Very high	35 Å²	35	26.9 Å²	26.9	19%	0.187	14%	0.138	C	C	.	.	H	α-helix	trans	-56.7	-38.9	179.3	-177.7	39.7	0	0	0	112.5	A128 V129 T134 G135 T138 G156 R158	A128-N132 VanDerWaalsContact O-CB 3.3Å; A128-N132 WeakPolarHBondContact O-CB 3.31Å; A128-N132 PolarHBondContact O-N 2.84Å; V129-N132 PolarHBondContact O-N 2.99Å; N132-T134 PolarHBondContact O-N 2.64Å; N132-G135 PolarHBondContact O-N 3.17Å; N132-T138 HydrophobicContact CB-CG2 4.14Å; N132-G156 WeakPolarHBondContact CB-O 3.3Å; N132-R158 PolarHBondContact O-NH2 3.33Å; N132-R158 PolarHBondContact OD1-NE 2.79Å; N132-R158 PolarHBondContact OD1-NH2 3.39Å
133	N	92.2	Very high	95.7	Very high	122 Å²	122	26 Å²	26	65%	0.652	13%	0.134	S	C	*	.	H	α-helix	trans	-66.4	-17.5	177.5	-67.9	-10.3	0	0	0	113.5	V129 L131	V129-N133 WeakPolarHBondContact O-CB 3.5Å; V129-N133 PolarHBondContact O-N 3.37Å; V129-N133 VanDerWaalsContact O-N 3.15Å; V129-N133 PolarHBondContact O-ND2 2.72Å; V129-N133 PolarHBondContact O-OD1 2.78Å; L131-N133 PolarHBondContact O-N 3.25Å
134	T	90.6	Very high	95.8	Very high	37 Å²	37	26 Å²	26	23%	0.227	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.2	176.5	67.9	0	0	0	0	114.7	R43 L131 N132 Y136 L375	R43-T134 PolarHBondContact NH1-O 2.77Å; L131-T134 PolarHBondContact O-N 2.9Å; L131-T134 PolarHBondContact O-OG1 2.97Å; N132-T134 PolarHBondContact O-N 2.64Å; T134-Y136 WeakPolarHBondContact OG1-CD2 3.2Å; T134-L375 HydrophobicContact CG2-CD1 3.75Å; T134-L375 HydrophobicContact CG2-CD2 3.67Å; T134-L375 HydrophobicContact CG2-CG 3.93Å
135	G	90.5	Very high	95.7	Very high	29 Å²	29	23.3 Å²	23.3	30%	0.299	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	4.7	178.2	0	0	0	0	0	115.9	N132	N132-G135 PolarHBondContact O-N 3.17Å
136	Y	96	Very high	95.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.			trans	-58.9	146.2	168.9	-90	-100.9	0	0	0	111.5	R43 P44 I46 L131 T134 T138 R158 P215 M217 A373	R43-Y136 HydrophobicContact CB-CE2 4.35Å; R43-Y136 WeakPolarHBondContact CB-OH 3.3Å; P44-Y136 WeakPolarHBondContact O-CE1 3.46Å; P44-Y136 PolarHBondContact O-OH 2.9Å; I46-Y136 HydrophobicContact CD1-CE1 4.28Å; I46-Y136 HydrophobicContact CG1-CE1 4.33Å; L131-Y136 HydrophobicContact CB-CD2 4.45Å; L131-Y136 HydrophobicContact CB-CG 4.36Å; L131-Y136 HydrophobicContact CD2-CD1 4.25Å; L131-Y136 HydrophobicContact CD2-CD2 4.48Å; L131-Y136 HydrophobicContact CD2-CE1 4.42Å; L131-Y136 HydrophobicContact CD2-CG 4.29Å; L131-Y136 HydrophobicContact CG-CD2 4.18Å; L131-Y136 HydrophobicContact CG-CG 4.33Å; T134-Y136 WeakPolarHBondContact OG1-CD2 3.2Å; Y136-T138 PolarHBondContact O-N 3.3Å; Y136-R158 PolarHBondContact O-NE 3.02Å; Y136-P215 HydrophobicContact CD1-CB 3.78Å; Y136-P215 HydrophobicContact CD1-CG 3.69Å; Y136-P215 HydrophobicContact CD2-CG 3.82Å; Y136-P215 HydrophobicContact CE1-CB 3.44Å; Y136-P215 VanDerWaalsContact CE1-CB 3.44Å; Y136-P215 HydrophobicContact CE1-CG 3.64Å; Y136-P215 HydrophobicContact CE2-CB 4.36Å; Y136-P215 HydrophobicContact CE2-CG 3.75Å; Y136-P215 HydrophobicContact CG-CB 4.39Å; Y136-P215 HydrophobicContact CG-CG 3.77Å; Y136-M217 HydrophobicContact CD1-CB 3.7Å; Y136-M217 HydrophobicContact CE1-CB 4.25Å; Y136-A373 HydrophobicContact CD2-CB 4.45Å; Y136-A373 HydrophobicContact CE2-CB 3.6Å
137	R	96.6	Very high	95	Very high	39 Å²	39	22 Å²	22	15%	0.147	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	95.3	163.8	-74.3	-172.3	57.3	83.4	6.6	108.7	F203 S207 Y211 R214 P215 V216 M217	R137-F203 HydrophobicContact CB-CZ 4.23Å; R137-S207 PolarHBondContact NE-OG 2.7Å; R137-S207 PolarHBondContact NH2-OG 3.16Å; R137-Y211 VanDerWaalsContact NH1-CE2 3.27Å; R137-R214 HydrophobicContact CG-CB 4.45Å; R137-P215 PolarHBondContact N-O 3.04Å; R137-V216 HydrophobicContact CB-CG2 4.48Å; R137-M217 PolarHBondContact O-N 3.21Å
138	T	97.8	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.1	-177.5	45.7	0	0	0	0	112.4	L131 N132 Y136 G156 R158 E159 M217	L131-T138 HydrophobicContact CB-CG2 4.09Å; N132-T138 HydrophobicContact CB-CG2 4.14Å; Y136-T138 PolarHBondContact O-N 3.3Å; T138-G156 WeakPolarHBondContact CB-O 3.25Å; T138-G156 PolarHBondContact OG1-O 3.26Å; T138-R158 WeakPolarHBondContact O-CB 3.42Å; T138-R158 PolarHBondContact O-N 2.66Å; T138-E159 PolarHBondContact O-N 2.9Å; T138-M217 CarbonylContact C-O 3.42Å; T138-M217 WeakPolarHBondContact CA-O 3.25Å; T138-M217 HydrophobicContact CG2-CB 4.42Å
139	A	98.3	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.7	176.7	0	0	0	0	0	113.6	F141 W157 E159 F203 M217 M218 V219	A139-F141 HydrophobicContact CB-CD2 4.44Å; A139-F141 HydrophobicContact CB-CE2 3.5Å; A139-F141 VanDerWaalsContact CB-CE2 3.5Å; A139-F141 HydrophobicContact CB-CZ 3.77Å; A139-W157 VanDerWaalsContact C-CE3 3.42Å; A139-W157 WeakPolarHBondContact O-CZ3 3.33Å; A139-E159 VanDerWaalsContact CA-O 3.3Å; A139-E159 WeakPolarHBondContact CA-O 3.09Å; A139-E159 HydrophobicContact CB-CB 3.78Å; A139-E159 HydrophobicContact CB-CG 4.46Å; A139-F203 HydrophobicContact CB-CD1 3.72Å; A139-F203 HydrophobicContact CB-CD2 4.38Å; A139-F203 HydrophobicContact CB-CE1 3.38Å; A139-F203 HydrophobicContact CB-CE2 4.08Å; A139-F203 HydrophobicContact CB-CG 4.21Å; A139-F203 HydrophobicContact CB-CZ 3.58Å; A139-M217 PolarHBondContact N-O 3.25Å; A139-M218 HydrophobicContact CB-CB 4.03Å; A139-M218 VanDerWaalsContact O-CA 3.25Å; A139-M218 WeakPolarHBondContact O-CA 3.49Å; A139-V219 PolarHBondContact O-N 3.09Å
140	F	98.7	Very high	94.3	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.9	176.2	-167.2	-79.8	0	0	0	111.1	K143 Y144 W157 E159 W160 V161 V219	F140-K143 WeakPolarHBondContact CZ-O 3.49Å; F140-Y144 HydrophobicContact CD2-CD2 4.37Å; F140-Y144 HydrophobicContact CE1-CD2 4.23Å; F140-Y144 AromaticContact CE2-CD2 3.91Å; F140-Y144 HydrophobicContact CE2-CD2 3.91Å; F140-Y144 AromaticContact CZ-CD2 3.86Å; F140-Y144 HydrophobicContact CZ-CD2 3.86Å; F140-W157 HydrophobicContact CB-CD2 3.75Å; F140-W157 HydrophobicContact CB-CE3 3.85Å; F140-W157 HydrophobicContact CB-CG 4.2Å; F140-W157 HydrophobicContact CB-CH2 4.39Å; F140-W157 HydrophobicContact CB-CZ2 4.3Å; F140-W157 HydrophobicContact CB-CZ3 4.17Å; F140-W157 AromaticContact CD2-CE2 3.98Å; F140-W157 AromaticContact CD2-CH2 3.77Å; F140-W157 HydrophobicContact CD2-CH2 3.77Å; F140-W157 AromaticContact CD2-CZ2 3.56Å; F140-W157 HydrophobicContact CD2-CZ2 3.56Å; F140-W157 HydrophobicContact CD2-CZ3 4.34Å; F140-W157 HydrophobicContact CE2-CZ2 4.39Å; F140-W157 HydrophobicContact CG-CZ2 4.34Å; F140-E159 PolarHBondContact N-O 3.2Å; F140-W160 HydrophobicContact CB-CE3 3.57Å; F140-W160 HydrophobicContact CB-CZ3 3.5Å; F140-W160 HydrophobicContact CD1-CE3 4.28Å; F140-W160 AromaticContact CD1-CH2 3.99Å; F140-W160 HydrophobicContact CD1-CH2 3.99Å; F140-W160 AromaticContact CD1-CZ3 3.71Å; F140-W160 HydrophobicContact CD1-CZ3 3.71Å; F140-W160 HydrophobicContact CD2-CZ3 4.31Å; F140-W160 HydrophobicContact CG-CE3 4.12Å; F140-W160 HydrophobicContact CG-CH2 4.25Å; F140-W160 AromaticContact CG-CZ3 3.57Å; F140-W160 HydrophobicContact CG-CZ3 3.57Å; F140-V161 PolarHBondContact O-N 3.41Å; F140-V219 HydrophobicContact CD2-CB 3.58Å; F140-V219 HydrophobicContact CD2-CG1 4.01Å; F140-V219 HydrophobicContact CD2-CG2 3.94Å; F140-V219 HydrophobicContact CE2-CB 3.72Å; F140-V219 HydrophobicContact CE2-CG1 3.59Å; F140-V219 HydrophobicContact CE2-CG2 4.17Å; F140-V219 HydrophobicContact CG-CB 4.39Å; F140-V219 HydrophobicContact CZ-CG1 4.21Å
141	F	98.5	Very high	94	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.4	177.7	-50.7	-86.7	0	0	0	109.4	A139 E159 V161 I196 D199 F203 M218 V219 S221	A139-F141 HydrophobicContact CB-CD2 4.44Å; A139-F141 HydrophobicContact CB-CE2 3.5Å; A139-F141 VanDerWaalsContact CB-CE2 3.5Å; A139-F141 HydrophobicContact CB-CZ 3.77Å; F141-E159 HydrophobicContact CE1-CG 3.95Å; F141-E159 HydrophobicContact CZ-CG 3.87Å; F141-V161 HydrophobicContact CD1-CB 3.86Å; F141-V161 HydrophobicContact CD1-CG2 3.6Å; F141-V161 HydrophobicContact CE1-CG2 3.83Å; F141-I196 HydrophobicContact CB-CB 3.97Å; F141-I196 HydrophobicContact CB-CG2 4.46Å; F141-D199 HydrophobicContact CD1-CB 3.77Å; F141-D199 HydrophobicContact CE1-CB 3.87Å; F141-F203 HydrophobicContact CE1-CB 4.41Å; F141-F203 HydrophobicContact CE2-CB 4.4Å; F141-F203 HydrophobicContact CE2-CD1 4.29Å; F141-F203 HydrophobicContact CE2-CG 4.46Å; F141-F203 HydrophobicContact CZ-CB 3.61Å; F141-F203 HydrophobicContact CZ-CD1 4.13Å; F141-F203 AromaticContact CZ-CG 3.84Å; F141-F203 HydrophobicContact CZ-CG 3.84Å; F141-M218 HydrophobicContact CE2-CB 4.25Å; F141-M218 HydrophobicContact CE2-SD 4.34Å; F141-V219 PolarHBondContact N-O 3.25Å; F141-S221 PolarHBondContact O-N 2.92Å
142	G	97.4	Very high	93.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.3	-142.5	170.3	0	0	0	0	0	115.8	Y144 V161 L163 S221	G142-Y144 PolarHBondContact O-N 3.41Å; G142-V161 PolarHBondContact N-O 3.01Å; G142-L163 PolarHBondContact O-N 2.85Å; G142-S221 WeakPolarHBondContact CA-O 3.41Å
143	K	96.5	Very high	94	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.017	16%	0.161	C	C	.	.			trans	-77	112.4	-174.3	-179	-172.6	177.6	-176.5	0	112.1	D52 C88 R92 F140 S167 S221	D52-K143 WeakPolarHBondContact OD1-CD 3.48Å; D52-K143 IonicContact OD1-NZ 3.94Å; D52-K143 PolarHBondContact OD1-NZ 3.27Å; D52-K143 VanDerWaalsContact OD2-CD 3.3Å; D52-K143 WeakPolarHBondContact OD2-CD 3.39Å; D52-K143 IonicContact OD2-NZ 3.19Å; D52-K143 PolarHBondContact OD2-NZ 3.29Å; C88-K143 PolarHBondContact SG-NZ 3.42Å; C88-K143 VanDerWaalsContact SG-NZ 3.4Å; R92-K143 PolarHBondContact NH1-O 3.08Å; F140-K143 WeakPolarHBondContact CZ-O 3.49Å; K143-S167 WeakPolarHBondContact CD-OG 3.27Å; K143-S167 PolarHBondContact NZ-OG 2.92Å; K143-S221 PolarHBondContact N-O 3.1Å; K143-S221 WeakPolarHBondContact O-CB 3.43Å; K143-S221 PolarHBondContact O-OG 2.68Å
144	Y	95.5	Very high	94.2	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.012	13%	0.13	C	C	.	.			trans	-79.2	-91.5	172.9	-173	-125	0	0	0	112.2	R92 L96 W118 F140 G142 P154 W160	R92-Y144 WeakPolarHBondContact CD-O 3.37Å; L96-Y144 HydrophobicContact CD1-CD2 4.26Å; L96-Y144 HydrophobicContact CD1-CE2 3.5Å; L96-Y144 HydrophobicContact CD2-CE2 3.96Å; L96-Y144 HydrophobicContact CG-CE2 4.41Å; W118-Y144 HydrophobicContact CH2-CE1 4.44Å; W118-Y144 WeakPolarHBondContact CH2-OH 3.46Å; W118-Y144 HydrophobicContact CZ3-CE1 4.22Å; F140-Y144 HydrophobicContact CD2-CD2 4.37Å; F140-Y144 HydrophobicContact CE1-CD2 4.23Å; F140-Y144 AromaticContact CE2-CD2 3.91Å; F140-Y144 HydrophobicContact CE2-CD2 3.91Å; F140-Y144 AromaticContact CZ-CD2 3.86Å; F140-Y144 HydrophobicContact CZ-CD2 3.86Å; G142-Y144 PolarHBondContact O-N 3.41Å; Y144-P154 HydrophobicContact CD1-CG 4.11Å; Y144-P154 HydrophobicContact CE1-CB 4.11Å; Y144-P154 HydrophobicContact CE1-CG 3.7Å; Y144-W160 AromaticContact CD1-CH2 3.94Å; Y144-W160 HydrophobicContact CD1-CH2 3.94Å; Y144-W160 HydrophobicContact CD1-CZ2 4.46Å; Y144-W160 AromaticContact CD2-CH2 3.67Å; Y144-W160 HydrophobicContact CD2-CH2 3.67Å; Y144-W160 HydrophobicContact CD2-CZ3 4.23Å; Y144-W160 HydrophobicContact CE1-CH2 4.44Å; Y144-W160 HydrophobicContact CE2-CH2 4.2Å; Y144-W160 AromaticContact CG-CH2 3.52Å; Y144-W160 HydrophobicContact CG-CH2 3.52Å; Y144-W160 HydrophobicContact CG-CZ2 4.27Å; Y144-W160 HydrophobicContact CG-CZ3 4.5Å
145	L	94	Very high	94.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-127.8	156.6	176.4	-67.7	-176.8	0	0	0	109.4	R92 L96 S114 W118 Y148	R92-L145 HydrophobicContact CB-CD2 3.46Å; R92-L145 VanDerWaalsContact CB-CD2 3.46Å; L96-L145 HydrophobicContact CD1-CD2 4.19Å; L96-L145 HydrophobicContact CD1-CG 4.36Å; S114-L145 VanDerWaalsContact OG-CB 3.23Å; S114-L145 WeakPolarHBondContact OG-CB 3.34Å; W118-L145 HydrophobicContact CD2-CD1 4.25Å; W118-L145 HydrophobicContact CE3-CD1 3.93Å; W118-L145 HydrophobicContact CH2-CD1 3.48Å; W118-L145 VanDerWaalsContact CH2-CD1 3.48Å; W118-L145 HydrophobicContact CZ2-CD1 3.79Å; W118-L145 HydrophobicContact CZ3-CD1 3.52Å; L145-Y148 WeakPolarHBondContact O-CB 3.49Å; L145-Y148 PolarHBondContact O-N 2.89Å
146	N	90.3	Very high	94.7	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.027	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	157	173.1	-68.1	94.1	0	0	0	111.2	C88 C89 N109 C113 S114 Y148 K165 N166	C88-N146 WeakPolarHBondContact CB-OD1 3.39Å; C89-N146 HydrophobicContact CB-CB 4.15Å; N109-N146 HydrophobicContact CB-CB 4.24Å; N109-N146 PolarHBondContact ND2-OD1 3.4Å; C113-N146 VanDerWaalsContact SG-C 3.59Å; C113-N146 PolarHBondContact SG-O 3.27Å; S114-N146 WeakPolarHBondContact CB-O 3.39Å; S114-N146 PolarHBondContact OG-O 3.19Å; N146-Y148 PolarHBondContact O-N 2.82Å; N146-K165 WeakPolarHBondContact CA-O 3.41Å; N146-N166 PolarHBondContact ND2-OD1 3.2Å
147	E	87.1	Confident	94.8	Very high	93 Å²	93	23.9 Å²	23.9	44%	0.435	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-0.3	-177.7	-53.1	-155.3	127.7	0	0	116.4	N149 K165	E147-N149 PolarHBondContact O-N 2.9Å; E147-K165 PolarHBondContact N-O 3.07Å
148	Y	92.2	Very high	94.6	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	14%	0.141	C	C	.	.			trans	-53.7	125.9	171.1	172.8	-105.7	0	0	0	110.3	L145 N146 Y152 P154 W160 I164 K165 C175	L145-Y148 WeakPolarHBondContact O-CB 3.49Å; L145-Y148 PolarHBondContact O-N 2.89Å; N146-Y148 PolarHBondContact O-N 2.82Å; Y148-Y152 HydrophobicContact CD2-CE1 4.23Å; Y148-Y152 HydrophobicContact CE2-CD1 4.44Å; Y148-Y152 AromaticContact CE2-CE1 3.99Å; Y148-Y152 HydrophobicContact CE2-CE1 3.99Å; Y148-Y152 PolarHBondContact OH-O 2.72Å; Y148-P154 HydrophobicContact CE2-CG 4.2Å; Y148-W160 AromaticContact CE1-CZ2 3.94Å; Y148-W160 HydrophobicContact CE1-CZ2 3.94Å; Y148-W160 AromaticContact CE1-NE1 3.99Å; Y148-W160 HydrophobicContact CE2-CZ2 4.19Å; Y148-W160 AromaticContact CZ-CE2 3.98Å; Y148-W160 AromaticContact CZ-CZ2 3.72Å; Y148-W160 AromaticContact CZ-NE1 3.65Å; Y148-W160 PolarHBondContact OH-NE1 2.85Å; Y148-I164 HydrophobicContact CE1-CG1 4.43Å; Y148-K165 PolarHBondContact O-N 3.34Å; Y148-C175 HydrophobicContact CE1-CB 4.05Å
149	N	90.6	Very high	94.6	Very high	71 Å²	71	29.5 Å²	29.5	38%	0.38	15%	0.15	S	C	.	.			trans	-105.7	-5.4	-162.4	66.3	-3.6	0	0	0	113.8	E147 S151 K180	E147-N149 PolarHBondContact O-N 2.9Å; N149-S151 VanDerWaalsContact C-N 3.33Å; N149-S151 PolarHBondContact ND2-OG 2.8Å; N149-S151 PolarHBondContact O-N 2.73Å; N149-S151 PolarHBondContact OD1-N 2.92Å; N149-S151 PolarHBondContact OD1-OG 3.5Å; N149-S151 VanDerWaalsContact OD1-OG 3.05Å; N149-K180 PolarHBondContact O-NZ 3Å
150	G	91.3	Very high	94.6	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	15%	0.15	C	C	.	.	S	Bend	trans	65.4	24.7	-172.3	0	0	0	0	0	114.9	Y152 K180	G150-Y152 VanDerWaalsContact C-N 3.35Å; G150-K180 WeakPolarHBondContact O-CE 3.45Å; G150-K180 PolarHBondContact O-NZ 2.9Å
151	S	90.9	Very high	94.5	Very high	84 Å²	84	29.3 Å²	29.3	59%	0.587	15%	0.15	S	C	*	.	S	Bend	trans	-85.6	-6.2	178.1	69.8	0	0	0	0	114.3	N149	N149-S151 VanDerWaalsContact C-N 3.33Å; N149-S151 PolarHBondContact ND2-OG 2.8Å; N149-S151 PolarHBondContact O-N 2.73Å; N149-S151 PolarHBondContact OD1-N 2.92Å; N149-S151 PolarHBondContact OD1-OG 3.5Å; N149-S151 VanDerWaalsContact OD1-OG 3.05Å
152	Y	93.8	Very high	94.4	Very high	49 Å²	49	29.2 Å²	29.2	19%	0.192	15%	0.149	C	C	.	.	S	Bend	trans	-159.5	163.3	-179.5	69.6	-70.1	0	0	0	109.3	Q119 E123 Y148 G150 P154	Q119-Y152 HydrophobicContact CG-CE2 4.48Å; Q119-Y152 WeakPolarHBondContact CG-OH 3.44Å; Q119-Y152 PolarHBondContact NE2-OH 3.05Å; E123-Y152 PolarHBondContact OE1-OH 3.18Å; E123-Y152 WeakPolarHBondContact OE2-CE2 3.33Å; Y148-Y152 HydrophobicContact CD2-CE1 4.23Å; Y148-Y152 HydrophobicContact CE2-CD1 4.44Å; Y148-Y152 AromaticContact CE2-CE1 3.99Å; Y148-Y152 HydrophobicContact CE2-CE1 3.99Å; Y148-Y152 PolarHBondContact OH-O 2.72Å; G150-Y152 VanDerWaalsContact C-N 3.35Å; Y152-P154 HydrophobicContact CE2-CB 4.23Å; Y152-P154 HydrophobicContact CE2-CG 3.85Å
153	I	96.1	Very high	94.4	Very high	67 Å²	67	29.3 Å²	29.3	34%	0.344	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-93.5	125.2	166.9	-55.7	170	0	0	0	107	W160	I153-W160 HydrophobicContact CG2-CB 3.77Å; I153-W160 HydrophobicContact CG2-CD2 4.13Å; I153-W160 HydrophobicContact CG2-CG 3.76Å
154	P	96.1	Very high	94.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-56.3	139.6	173.6	-30.1	39.6	0	0	0	112.3	E123 Y144 Y148 Y152 W160	E123-P154 HydrophobicContact CG-CB 4.28Å; E123-P154 WeakPolarHBondContact OE1-CB 3.31Å; Y144-P154 HydrophobicContact CD1-CG 4.11Å; Y144-P154 HydrophobicContact CE1-CB 4.11Å; Y144-P154 HydrophobicContact CE1-CG 3.7Å; Y148-P154 HydrophobicContact CE2-CG 4.2Å; Y152-P154 HydrophobicContact CE2-CB 4.23Å; Y152-P154 HydrophobicContact CE2-CG 3.85Å; P154-W160 HydrophobicContact CB-CH2 4.28Å; P154-W160 HydrophobicContact CB-CZ3 4.38Å; P154-W160 VanDerWaalsContact CD-CZ2 3.4Å; P154-W160 HydrophobicContact CG-CH2 3.52Å; P154-W160 HydrophobicContact CG-CZ2 3.67Å; P154-W160 HydrophobicContact CG-CZ3 4.05Å
155	P	96	Very high	93.9	Very high	50 Å²	50	36.6 Å²	36.6	33%	0.325	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	148	-179.6	26.8	-36.4	0	0	0	111.5	E123 V129	E123-P155 HydrophobicContact CG-CG 4.04Å; E123-P155 WeakPolarHBondContact OE2-CD 3.15Å; V129-P155 HydrophobicContact CG2-CB 3.94Å; V129-P155 HydrophobicContact CG2-CG 4.14Å; V129-P155 VanDerWaalsContact CG2-O 3.28Å; V129-P155 WeakPolarHBondContact CG2-O 3.22Å
156	G	95.7	Very high	93.3	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-5.9	177.8	0	0	0	0	0	115.3	N132 T138	N132-G156 WeakPolarHBondContact CB-O 3.3Å; T138-G156 WeakPolarHBondContact CB-O 3.25Å; T138-G156 PolarHBondContact OG1-O 3.26Å
157	W	97.1	Very high	93.3	Very high	17 Å²	17	40.5 Å²	40.5	6%	0.064	20%	0.204	C	C	.	.			trans	-105.7	138.3	174.4	-51.4	107.3	0	0	0	111.3	F127 A128 A139 F140 W160 M217 V219	F127-W157 AromaticContact CE2-CH2 3.87Å; F127-W157 HydrophobicContact CE2-CH2 3.87Å; F127-W157 HydrophobicContact CZ-CH2 4.36Å; A128-W157 HydrophobicContact CB-CD2 3.93Å; A128-W157 VanDerWaalsContact CB-CE2 3.48Å; A128-W157 HydrophobicContact CB-CE3 4.12Å; A128-W157 HydrophobicContact CB-CH2 3.54Å; A128-W157 HydrophobicContact CB-CZ2 3.3Å; A128-W157 HydrophobicContact CB-CZ3 3.94Å; A139-W157 VanDerWaalsContact C-CE3 3.42Å; A139-W157 WeakPolarHBondContact O-CZ3 3.33Å; F140-W157 HydrophobicContact CB-CD2 3.75Å; F140-W157 HydrophobicContact CB-CE3 3.85Å; F140-W157 HydrophobicContact CB-CG 4.2Å; F140-W157 HydrophobicContact CB-CH2 4.39Å; F140-W157 HydrophobicContact CB-CZ2 4.3Å; F140-W157 HydrophobicContact CB-CZ3 4.17Å; F140-W157 AromaticContact CD2-CE2 3.98Å; F140-W157 AromaticContact CD2-CH2 3.77Å; F140-W157 HydrophobicContact CD2-CH2 3.77Å; F140-W157 AromaticContact CD2-CZ2 3.56Å; F140-W157 HydrophobicContact CD2-CZ2 3.56Å; F140-W157 HydrophobicContact CD2-CZ3 4.34Å; F140-W157 HydrophobicContact CE2-CZ2 4.39Å; F140-W157 HydrophobicContact CG-CZ2 4.34Å; W157-W160 HydrophobicContact CB-CE3 3.94Å; W157-W160 AromaticContact CD1-CE3 3.49Å; W157-W160 VanDerWaalsContact CD1-CE3 3.49Å; W157-W160 AromaticContact CD1-CZ3 3.34Å; W157-W160 HydrophobicContact CD2-CE3 4.46Å; W157-W160 HydrophobicContact CD2-CZ3 4.39Å; W157-W160 AromaticContact CG-CE3 3.69Å; W157-W160 HydrophobicContact CG-CE3 3.69Å; W157-W160 AromaticContact CG-CZ3 3.89Å; W157-W160 HydrophobicContact CG-CZ3 3.89Å; W157-W160 AromaticContact NE1-CZ3 3.54Å; W157-M217 HydrophobicContact CH2-SD 4.31Å; W157-M217 HydrophobicContact CZ3-SD 3.95Å; W157-V219 HydrophobicContact CH2-CG2 3.6Å; W157-V219 HydrophobicContact CZ3-CG2 4.12Å
158	R	93.8	Very high	93.5	Very high	112 Å²	112	41.9 Å²	41.9	42%	0.423	21%	0.205	S	C	.	.	S	Bend	trans	-99.5	-30.3	174.1	-61.5	-176	-173.4	-114.8	-6.9	112.6	N132 Y136 T138	N132-R158 PolarHBondContact O-NH2 3.33Å; N132-R158 PolarHBondContact OD1-NE 2.79Å; N132-R158 PolarHBondContact OD1-NH2 3.39Å; Y136-R158 PolarHBondContact O-NE 3.02Å; T138-R158 WeakPolarHBondContact O-CB 3.42Å; T138-R158 PolarHBondContact O-N 2.66Å
159	E	96.9	Very high	93.6	Very high	44 Å²	44	41.8 Å²	41.8	21%	0.206	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.7	170.5	-174.6	66	-131.9	0	0	108	T138 A139 F140 F141 N177 F203	T138-E159 PolarHBondContact O-N 2.9Å; A139-E159 VanDerWaalsContact CA-O 3.3Å; A139-E159 WeakPolarHBondContact CA-O 3.09Å; A139-E159 HydrophobicContact CB-CB 3.78Å; A139-E159 HydrophobicContact CB-CG 4.46Å; F140-E159 PolarHBondContact N-O 3.2Å; F141-E159 HydrophobicContact CE1-CG 3.95Å; F141-E159 HydrophobicContact CZ-CG 3.87Å; E159-N177 PolarHBondContact OE1-ND2 2.79Å; E159-N177 PolarHBondContact OE1-OD1 3.05Å; E159-N177 PolarHBondContact OE2-ND2 3.02Å; E159-F203 HydrophobicContact CB-CD2 3.56Å; E159-F203 HydrophobicContact CB-CE2 3.46Å; E159-F203 VanDerWaalsContact CB-CE2 3.46Å; E159-F203 HydrophobicContact CB-CG 4.4Å; E159-F203 HydrophobicContact CB-CZ 4.26Å; E159-F203 HydrophobicContact CG-CD2 3.62Å; E159-F203 HydrophobicContact CG-CE2 4.08Å; E159-F203 HydrophobicContact CG-CG 4.26Å
160	W	97.9	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	116.3	-170.3	-180	-100.7	0	0	0	110.9	F140 Y144 Y148 I153 P154 W157 C175 R176 N177	F140-W160 HydrophobicContact CB-CE3 3.57Å; F140-W160 HydrophobicContact CB-CZ3 3.5Å; F140-W160 HydrophobicContact CD1-CE3 4.28Å; F140-W160 AromaticContact CD1-CH2 3.99Å; F140-W160 HydrophobicContact CD1-CH2 3.99Å; F140-W160 AromaticContact CD1-CZ3 3.71Å; F140-W160 HydrophobicContact CD1-CZ3 3.71Å; F140-W160 HydrophobicContact CD2-CZ3 4.31Å; F140-W160 HydrophobicContact CG-CE3 4.12Å; F140-W160 HydrophobicContact CG-CH2 4.25Å; F140-W160 AromaticContact CG-CZ3 3.57Å; F140-W160 HydrophobicContact CG-CZ3 3.57Å; Y144-W160 AromaticContact CD1-CH2 3.94Å; Y144-W160 HydrophobicContact CD1-CH2 3.94Å; Y144-W160 HydrophobicContact CD1-CZ2 4.46Å; Y144-W160 AromaticContact CD2-CH2 3.67Å; Y144-W160 HydrophobicContact CD2-CH2 3.67Å; Y144-W160 HydrophobicContact CD2-CZ3 4.23Å; Y144-W160 HydrophobicContact CE1-CH2 4.44Å; Y144-W160 HydrophobicContact CE2-CH2 4.2Å; Y144-W160 AromaticContact CG-CH2 3.52Å; Y144-W160 HydrophobicContact CG-CH2 3.52Å; Y144-W160 HydrophobicContact CG-CZ2 4.27Å; Y144-W160 HydrophobicContact CG-CZ3 4.5Å; Y148-W160 AromaticContact CE1-CZ2 3.94Å; Y148-W160 HydrophobicContact CE1-CZ2 3.94Å; Y148-W160 AromaticContact CE1-NE1 3.99Å; Y148-W160 HydrophobicContact CE2-CZ2 4.19Å; Y148-W160 AromaticContact CZ-CE2 3.98Å; Y148-W160 AromaticContact CZ-CZ2 3.72Å; Y148-W160 AromaticContact CZ-NE1 3.65Å; Y148-W160 PolarHBondContact OH-NE1 2.85Å; I153-W160 HydrophobicContact CG2-CB 3.77Å; I153-W160 HydrophobicContact CG2-CD2 4.13Å; I153-W160 HydrophobicContact CG2-CG 3.76Å; P154-W160 HydrophobicContact CB-CH2 4.28Å; P154-W160 HydrophobicContact CB-CZ3 4.38Å; P154-W160 VanDerWaalsContact CD-CZ2 3.4Å; P154-W160 HydrophobicContact CG-CH2 3.52Å; P154-W160 HydrophobicContact CG-CZ2 3.67Å; P154-W160 HydrophobicContact CG-CZ3 4.05Å; W157-W160 HydrophobicContact CB-CE3 3.94Å; W157-W160 AromaticContact CD1-CE3 3.49Å; W157-W160 VanDerWaalsContact CD1-CE3 3.49Å; W157-W160 AromaticContact CD1-CZ3 3.34Å; W157-W160 HydrophobicContact CD2-CE3 4.46Å; W157-W160 HydrophobicContact CD2-CZ3 4.39Å; W157-W160 AromaticContact CG-CE3 3.69Å; W157-W160 HydrophobicContact CG-CE3 3.69Å; W157-W160 AromaticContact CG-CZ3 3.89Å; W157-W160 HydrophobicContact CG-CZ3 3.89Å; W157-W160 AromaticContact NE1-CZ3 3.54Å; W160-C175 VanDerWaalsContact O-O 3.05Å; W160-R176 CarbonylContact O-C 3.58Å; W160-R176 VanDerWaalsContact O-CA 3.23Å; W160-R176 WeakPolarHBondContact O-CA 3.34Å; W160-N177 PolarHBondContact N-OD1 3.33Å; W160-N177 PolarHBondContact O-N 3.06Å; W160-N177 PolarHBondContact O-OD1 3.45Å
161	V	97.8	Very high	93.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	68.9	172.4	-170.7	0	0	0	0	108.2	F140 F141 G142 V174 C175 R176 L195	F140-V161 PolarHBondContact O-N 3.41Å; F141-V161 HydrophobicContact CD1-CB 3.86Å; F141-V161 HydrophobicContact CD1-CG2 3.6Å; F141-V161 HydrophobicContact CE1-CG2 3.83Å; G142-V161 PolarHBondContact N-O 3.01Å; V161-V174 HydrophobicContact CG1-CB 4.09Å; V161-V174 HydrophobicContact CG1-CG1 4.2Å; V161-V174 HydrophobicContact CG1-CG2 4.09Å; V161-C175 WeakPolarHBondContact CA-O 3.18Å; V161-R176 HydrophobicContact CG2-CG 4.43Å; V161-L195 HydrophobicContact CG1-CD2 4.31Å
162	G	96.6	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.2	-172.9	0	0	0	0	0	113.5	I164 V174 C175	G162-I164 PolarHBondContact O-N 2.8Å; G162-V174 CarbonylContact O-C 3.53Å; G162-V174 WeakPolarHBondContact O-CA 3.42Å; G162-C175 PolarHBondContact N-O 3.37Å; G162-C175 PolarHBondContact O-N 3.24Å
163	L	96.3	Very high	94.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.8	176	-179.9	65.9	0	0	0	111.7	G142 Y172 V174 F192	G142-L163 PolarHBondContact O-N 2.85Å; L163-Y172 HydrophobicContact CD1-CD2 3.68Å; L163-Y172 HydrophobicContact CD1-CG 3.93Å; L163-V174 HydrophobicContact CD1-CG1 4.5Å; L163-F192 HydrophobicContact CB-CE2 3.98Å; L163-F192 HydrophobicContact CB-CZ 3.76Å; L163-F192 HydrophobicContact CD1-CD2 4.45Å; L163-F192 HydrophobicContact CD1-CE2 3.91Å; L163-F192 HydrophobicContact CD1-CZ 4.22Å; L163-F192 HydrophobicContact CD2-CE1 4.06Å; L163-F192 HydrophobicContact CD2-CE2 4.25Å; L163-F192 HydrophobicContact CD2-CZ 3.7Å; L163-F192 HydrophobicContact CG-CE2 4.26Å; L163-F192 HydrophobicContact CG-CZ 4.09Å
164	I	93.9	Very high	94.2	Very high	23 Å²	23	35 Å²	35	12%	0.118	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-84.2	127	-177.7	-62.3	179.5	0	0	0	110.8	Y148 G162 N166 T173 C175 K180	Y148-I164 HydrophobicContact CE1-CG1 4.43Å; G162-I164 PolarHBondContact O-N 2.8Å; I164-N166 PolarHBondContact O-N 3.07Å; I164-T173 VanDerWaalsContact CB-O 3.32Å; I164-T173 WeakPolarHBondContact CB-O 3.3Å; I164-T173 HydrophobicContact CD1-CG2 3.9Å; I164-T173 WeakPolarHBondContact CG1-O 3.2Å; I164-T173 PolarHBondContact N-O 2.7Å; I164-C175 HydrophobicContact CD1-CB 4.26Å; I164-C175 HydrophobicContact CG1-CB 4.34Å; I164-K180 HydrophobicContact CD1-CD 4.02Å; I164-K180 HydrophobicContact CD1-CG 4.14Å
165	K	87.9	Confident	94.3	Very high	137 Å²	137	34.9 Å²	34.9	60%	0.596	17%	0.165	S	C	*	.	S	Bend	trans	72	-85.3	-179.2	-60.3	158.6	-175.3	168.1	0	116.4	N146 E147 Y148	N146-K165 WeakPolarHBondContact CA-O 3.41Å; E147-K165 PolarHBondContact N-O 3.07Å; Y148-K165 PolarHBondContact O-N 3.34Å
166	N	82.2	Confident	94.3	Very high	84 Å²	84	35.3 Å²	35.3	45%	0.449	16%	0.16	S	C	.	.	S	Bend	trans	-137.7	152.2	-163.8	-78.6	-5.6	0	0	0	111.3	N146 I164	N146-N166 PolarHBondContact ND2-OD1 3.2Å; I164-N166 PolarHBondContact O-N 3.07Å
167	S	88.6	Confident	94.3	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.028	17%	0.17	C	C	.	.			trans	-48.2	129.9	176.8	-37.6	0	0	0	0	112.6	D52 K143	D52-S167 WeakPolarHBondContact OD2-CB 3.5Å; D52-S167 PolarHBondContact OD2-OG 2.88Å; K143-S167 WeakPolarHBondContact CD-OG 3.27Å; K143-S167 PolarHBondContact NZ-OG 2.92Å
168	R	91.1	Very high	94.1	Very high	121 Å²	121	38.6 Å²	38.6	46%	0.457	19%	0.186	S	C	.	.			trans	-157.5	153.8	177.9	-72.4	-168.6	170.8	-156.5	-14.3	109.7	N171 Y172 F192	R168-N171 PolarHBondContact NH1-O 3.35Å; R168-Y172 HydrophobicContact CB-CD1 4.49Å; R168-F192 WeakPolarHBondContact O-CD1 3.14Å
169	F	94.3	Very high	94.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-100.7	-26.1	171	-62.6	-94.2	0	0	0	113.4	Y172 Y191 F192 A224 P228 D230 T286	F169-Y172 WeakPolarHBondContact O-CE1 3.32Å; F169-Y191 HydrophobicContact CB-CD2 4.12Å; F169-Y191 HydrophobicContact CB-CE2 3.88Å; F169-Y191 HydrophobicContact CD1-CD2 4.41Å; F169-Y191 AromaticContact CD1-CE2 3.53Å; F169-Y191 HydrophobicContact CD1-CE2 3.53Å; F169-Y191 AromaticContact CD1-CZ 3.94Å; F169-Y191 HydrophobicContact CE1-CE2 4.47Å; F169-Y191 HydrophobicContact CG-CE2 4.1Å; F169-F192 PolarHBondContact O-N 2.96Å; F169-A224 HydrophobicContact CE1-CB 3.87Å; F169-A224 HydrophobicContact CZ-CB 3.79Å; F169-P228 WeakPolarHBondContact CD2-O 3.21Å; F169-P228 WeakPolarHBondContact CE2-O 3.44Å; F169-D230 HydrophobicContact CB-CB 4.06Å; F169-D230 WeakPolarHBondContact CD1-O 3.32Å; F169-D230 HydrophobicContact CD2-CB 4.12Å; F169-D230 HydrophobicContact CG-CB 4.29Å; F169-D230 WeakPolarHBondContact CG-O 3.4Å; F169-T286 HydrophobicContact CE1-CG2 3.95Å; F169-T286 HydrophobicContact CE2-CG2 4.03Å; F169-T286 HydrophobicContact CZ-CG2 3.51Å
170	Y	94.3	Very high	94.1	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.047	21%	0.214	C	C	.	.	S	Bend	trans	-142	166	-178.5	-59.1	-71	0	0	0	110.7	Y172 A185 D190 Y191 D230 Q753 T754	Y170-Y172 PolarHBondContact O-N 2.93Å; Y170-A185 HydrophobicContact CD1-CB 4.43Å; Y170-A185 HydrophobicContact CG-CB 4.49Å; Y170-D190 HydrophobicContact CD1-CB 4.43Å; Y170-Y191 AromaticContact CE1-CD2 3.8Å; Y170-Y191 HydrophobicContact CE1-CD2 3.8Å; Y170-Y191 HydrophobicContact CE1-CG 4.32Å; Y170-Y191 AromaticContact CE2-CD2 3.96Å; Y170-Y191 HydrophobicContact CE2-CD2 3.96Å; Y170-Y191 HydrophobicContact CE2-CE2 4.34Å; Y170-Y191 AromaticContact CZ-CD2 3.44Å; Y170-Y191 VanDerWaalsContact CZ-CD2 3.44Å; Y170-Y191 VanDerWaalsContact OH-CD2 3.32Å; Y170-Y191 WeakPolarHBondContact OH-CD2 3.5Å; Y170-D230 HydrophobicContact CD2-CB 3.99Å; Y170-D230 HydrophobicContact CE2-CB 4.02Å; Y170-Q753 HydrophobicContact CD2-CB 4.39Å; Y170-T754 HydrophobicContact CD2-CG2 4.5Å; Y170-T754 HydrophobicContact CE2-CG2 3.67Å
171	N	93.9	Very high	94	Very high	70 Å²	70	48 Å²	48	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	52.8	53.3	176.6	-70.8	-53	0	0	0	112.6	R168 H183 G184 Q753	R168-N171 PolarHBondContact NH1-O 3.35Å; N171-H183 VanDerWaalsContact CA-O 3.32Å; N171-H183 WeakPolarHBondContact CA-O 3.43Å; N171-G184 PolarHBondContact N-O 2.87Å; N171-Q753 PolarHBondContact ND2-OE1 3.45Å; N171-Q753 VanDerWaalsContact ND2-OE1 3.15Å
172	Y	94.8	Very high	93.9	Very high	10 Å²	10	56.2 Å²	56.2	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-172.5	-175.1	62.8	-91	0	0	0	112.7	L163 R168 F169 Y170 V174 H183 D190 F192	L163-Y172 HydrophobicContact CD1-CD2 3.68Å; L163-Y172 HydrophobicContact CD1-CG 3.93Å; R168-Y172 HydrophobicContact CB-CD1 4.49Å; F169-Y172 WeakPolarHBondContact O-CE1 3.32Å; Y170-Y172 PolarHBondContact O-N 2.93Å; Y172-V174 HydrophobicContact CD2-CG1 4.01Å; Y172-V174 HydrophobicContact CE2-CG1 3.83Å; Y172-H183 HydrophobicContact CD1-CB 4.26Å; Y172-H183 HydrophobicContact CD2-CB 4.2Å; Y172-H183 AromaticContact CD2-CD2 4Å; Y172-H183 HydrophobicContact CE1-CB 3.78Å; Y172-H183 HydrophobicContact CE2-CB 3.74Å; Y172-H183 AromaticContact CE2-CD2 3.3Å; Y172-H183 WeakPolarHBondContact CE2-CD2 3.28Å; Y172-H183 AromaticContact CE2-CG 3.67Å; Y172-H183 HydrophobicContact CG-CB 4.43Å; Y172-H183 VanDerWaalsContact CZ-CB 3.48Å; Y172-H183 AromaticContact CZ-CD2 3.78Å; Y172-H183 AromaticContact CZ-CG 3.66Å; Y172-H183 PolarHBondContact N-O 3.48Å; Y172-H183 PolarHBondContact O-N 3.47Å; Y172-H183 VanDerWaalsContact O-N 3.13Å; Y172-D190 WeakPolarHBondContact CE1-O 3.22Å; Y172-D190 VanDerWaalsContact CZ-O 3.27Å; Y172-D190 PolarHBondContact OH-O 3.04Å; Y172-F192 HydrophobicContact CD1-CB 4.46Å; Y172-F192 HydrophobicContact CD2-CD2 4.18Å; Y172-F192 HydrophobicContact CE1-CB 3.75Å; Y172-F192 HydrophobicContact CE1-CD2 4.26Å; Y172-F192 HydrophobicContact CE1-CG 4.42Å; Y172-F192 AromaticContact CE2-CD2 3.62Å; Y172-F192 HydrophobicContact CE2-CD2 3.62Å; Y172-F192 HydrophobicContact CE2-CE2 4.29Å; Y172-F192 AromaticContact CZ-CD2 3.68Å; Y172-F192 WeakPolarHBondContact OH-CA 3.43Å
173	T	96.7	Very high	93.9	Very high	38 Å²	38	57 Å²	57	23%	0.233	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	130.2	175.9	-48.4	0	0	0	0	108.2	I164 K180 E181 K182	I164-T173 VanDerWaalsContact CB-O 3.32Å; I164-T173 WeakPolarHBondContact CB-O 3.3Å; I164-T173 HydrophobicContact CD1-CG2 3.9Å; I164-T173 WeakPolarHBondContact CG1-O 3.2Å; I164-T173 PolarHBondContact N-O 2.7Å; T173-K180 HydrophobicContact CG2-CB 4.16Å; T173-E181 CarbonylContact C-O 3.59Å; T173-E181 WeakPolarHBondContact CA-O 3.33Å; T173-E181 WeakPolarHBondContact CG2-O 3.39Å; T173-K182 HydrophobicContact CG2-CG 4.07Å
174	V	96.8	Very high	93.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	151.8	171	-66.3	0	0	0	0	110.1	V161 G162 L163 Y172 K180 E181 F192	V161-V174 HydrophobicContact CG1-CB 4.09Å; V161-V174 HydrophobicContact CG1-CG1 4.2Å; V161-V174 HydrophobicContact CG1-CG2 4.09Å; G162-V174 CarbonylContact O-C 3.53Å; G162-V174 WeakPolarHBondContact O-CA 3.42Å; L163-V174 HydrophobicContact CD1-CG1 4.5Å; Y172-V174 HydrophobicContact CD2-CG1 4.01Å; Y172-V174 HydrophobicContact CE2-CG1 3.83Å; V174-K180 WeakPolarHBondContact O-CA 3.43Å; V174-E181 HydrophobicContact CG2-CB 3.87Å; V174-E181 PolarHBondContact N-O 3.46Å; V174-E181 PolarHBondContact O-N 2.89Å; V174-F192 HydrophobicContact CG1-CE2 4.17Å
175	C	96.8	Very high	93.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	103.4	162.7	-172	0	0	0	0	107.6	Y148 W160 V161 G162 I164 G178 F179	Y148-C175 HydrophobicContact CE1-CB 4.05Å; W160-C175 VanDerWaalsContact O-O 3.05Å; V161-C175 WeakPolarHBondContact CA-O 3.18Å; G162-C175 PolarHBondContact N-O 3.37Å; G162-C175 PolarHBondContact O-N 3.24Å; I164-C175 HydrophobicContact CD1-CB 4.26Å; I164-C175 HydrophobicContact CG1-CB 4.34Å; C175-G178 VanDerWaalsContact SG-CA 3.55Å; C175-F179 CarbonylContact C-O 3.58Å; C175-F179 VanDerWaalsContact CA-O 3.23Å; C175-F179 WeakPolarHBondContact CA-O 3.46Å
176	R	96.4	Very high	94	Very high	58 Å²	58	56.5 Å²	56.5	22%	0.219	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	105.8	174.4	-173.4	-179.7	-59.9	-82.8	-1.2	109	W160 V161 G178 F179 E181 D199	W160-R176 CarbonylContact O-C 3.58Å; W160-R176 VanDerWaalsContact O-CA 3.23Å; W160-R176 WeakPolarHBondContact O-CA 3.34Å; V161-R176 HydrophobicContact CG2-CG 4.43Å; R176-G178 PolarHBondContact O-N 3.37Å; R176-G178 VanDerWaalsContact O-N 3.08Å; R176-F179 PolarHBondContact N-O 2.71Å; R176-F179 PolarHBondContact O-N 3.32Å; R176-E181 IonicContact CZ-OE2 2.67Å; R176-E181 IonicContact NE-OE2 2.63Å; R176-E181 PolarHBondContact NE-OE2 3.45Å; R176-E181 IonicContact NH2-OE2 2.7Å; R176-E181 PolarHBondContact NH2-OE2 2.77Å; R176-E181 VanDerWaalsContact NH2-OE2 3.13Å; R176-D199 IonicContact CZ-OD1 2.92Å; R176-D199 IonicContact CZ-OD2 3.19Å; R176-D199 VanDerWaalsContact CZ-OD2 3.27Å; R176-D199 IonicContact NH1-OD1 2.79Å; R176-D199 PolarHBondContact NH1-OD1 3.47Å; R176-D199 IonicContact NH1-OD2 3.87Å; R176-D199 PolarHBondContact NH1-OD2 2.86Å; R176-D199 IonicContact NH2-OD1 3.16Å; R176-D199 IonicContact NH2-OD2 2.75Å; R176-D199 PolarHBondContact NH2-OD2 3.23Å
177	N	95.2	Very high	94.5	Very high	57 Å²	57	56.1 Å²	56.1	31%	0.305	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	42.4	-179.1	-60.4	-35.2	0	0	0	114.1	E159 W160	E159-N177 PolarHBondContact OE1-ND2 2.79Å; E159-N177 PolarHBondContact OE1-OD1 3.05Å; E159-N177 PolarHBondContact OE2-ND2 3.02Å; W160-N177 PolarHBondContact N-OD1 3.33Å; W160-N177 PolarHBondContact O-N 3.06Å; W160-N177 PolarHBondContact O-OD1 3.45Å
178	G	93.7	Very high	94.7	Very high	38 Å²	38	59.9 Å²	59.9	39%	0.392	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-23.3	-179.4	0	0	0	0	0	115.2	C175 R176	C175-G178 VanDerWaalsContact SG-CA 3.55Å; R176-G178 PolarHBondContact O-N 3.37Å; R176-G178 VanDerWaalsContact O-N 3.08Å
179	F	95.5	Very high	94.8	Very high	164 Å²	164	61 Å²	61	72%	0.719	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	151.5	177.5	-59.7	-83.9	0	0	0	111.5	C175 R176	C175-F179 CarbonylContact C-O 3.58Å; C175-F179 VanDerWaalsContact CA-O 3.23Å; C175-F179 WeakPolarHBondContact CA-O 3.46Å; R176-F179 PolarHBondContact N-O 2.71Å; R176-F179 PolarHBondContact O-N 3.32Å
180	K	96	Very high	94.9	Very high	116 Å²	116	62 Å²	62	50%	0.504	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	101	-176.7	-61.7	-168.7	-173.7	-164.6	0	111.3	N149 G150 I164 T173 V174	N149-K180 PolarHBondContact O-NZ 3Å; G150-K180 WeakPolarHBondContact O-CE 3.45Å; G150-K180 PolarHBondContact O-NZ 2.9Å; I164-K180 HydrophobicContact CD1-CD 4.02Å; I164-K180 HydrophobicContact CD1-CG 4.14Å; T173-K180 HydrophobicContact CG2-CB 4.16Å; V174-K180 WeakPolarHBondContact O-CA 3.43Å
181	E	95.3	Very high	95	Very high	72 Å²	72	61.5 Å²	61.5	34%	0.336	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.9	179.3	-167	179.9	-178.3	0	0	109.6	T173 V174 R176 H183	T173-E181 CarbonylContact C-O 3.59Å; T173-E181 WeakPolarHBondContact CA-O 3.33Å; T173-E181 WeakPolarHBondContact CG2-O 3.39Å; V174-E181 HydrophobicContact CG2-CB 3.87Å; V174-E181 PolarHBondContact N-O 3.46Å; V174-E181 PolarHBondContact O-N 2.89Å; R176-E181 IonicContact CZ-OE2 2.67Å; R176-E181 IonicContact NE-OE2 2.63Å; R176-E181 PolarHBondContact NE-OE2 3.45Å; R176-E181 IonicContact NH2-OE2 2.7Å; R176-E181 PolarHBondContact NH2-OE2 2.77Å; R176-E181 VanDerWaalsContact NH2-OE2 3.13Å; E181-H183 WeakPolarHBondContact CG-NE2 3.42Å; E181-H183 IonicContact OE1-CE1 2.69Å; E181-H183 PolarHBondContact OE1-CE1 3.45Å; E181-H183 IonicContact OE1-NE2 3.19Å; E181-H183 IonicContact OE2-NE2 2.76Å
182	K	96.3	Very high	95.1	Very high	174 Å²	174	58.1 Å²	58.1	76%	0.757	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.3	-179.5	-70.3	-179.6	-178.8	173.7	0	109.8	T173	T173-K182 HydrophobicContact CG2-CG 4.07Å
183	H	95.9	Very high	95.2	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.1	177.9	-65.6	-73.8	0	0	0	110.3	N171 Y172 E181 D190 L195	N171-H183 VanDerWaalsContact CA-O 3.32Å; N171-H183 WeakPolarHBondContact CA-O 3.43Å; Y172-H183 HydrophobicContact CD1-CB 4.26Å; Y172-H183 HydrophobicContact CD2-CB 4.2Å; Y172-H183 AromaticContact CD2-CD2 4Å; Y172-H183 HydrophobicContact CE1-CB 3.78Å; Y172-H183 HydrophobicContact CE2-CB 3.74Å; Y172-H183 AromaticContact CE2-CD2 3.3Å; Y172-H183 WeakPolarHBondContact CE2-CD2 3.28Å; Y172-H183 AromaticContact CE2-CG 3.67Å; Y172-H183 HydrophobicContact CG-CB 4.43Å; Y172-H183 VanDerWaalsContact CZ-CB 3.48Å; Y172-H183 AromaticContact CZ-CD2 3.78Å; Y172-H183 AromaticContact CZ-CG 3.66Å; Y172-H183 PolarHBondContact N-O 3.48Å; Y172-H183 PolarHBondContact O-N 3.47Å; Y172-H183 VanDerWaalsContact O-N 3.13Å; E181-H183 WeakPolarHBondContact CG-NE2 3.42Å; E181-H183 IonicContact OE1-CE1 2.69Å; E181-H183 PolarHBondContact OE1-CE1 3.45Å; E181-H183 IonicContact OE1-NE2 3.19Å; E181-H183 IonicContact OE2-NE2 2.76Å; H183-D190 WeakPolarHBondContact CA-OD1 3.45Å; H183-D190 HydrophobicContact CB-CB 4.08Å; H183-D190 VanDerWaalsContact CB-OD1 3.26Å; H183-D190 WeakPolarHBondContact CB-OD1 3.35Å; H183-D190 IonicContact CG-OD1 3.73Å; H183-D190 IonicContact ND1-OD1 2.71Å; H183-D190 PolarHBondContact ND1-OD1 2.92Å; H183-L195 WeakPolarHBondContact CE1-CD1 3.48Å
184	G	94.4	Very high	95.3	Very high	28 Å²	28	57 Å²	57	29%	0.289	30%	0.3	S	S	.	.			trans	-88.4	-130.8	178.8	0	0	0	0	0	112.4	N171 D190	N171-G184 PolarHBondContact N-O 2.87Å; G184-D190 VanDerWaalsContact C-CG 3.5Å; G184-D190 WeakPolarHBondContact CA-OD2 3.29Å; G184-D190 PolarHBondContact N-OD1 3.38Å; G184-D190 PolarHBondContact N-OD2 3.31Å
185	A	92.1	Very high	95.3	Very high	57 Å²	57	58 Å²	58	47%	0.471	31%	0.305	S	S	.	.	S	Bend	trans	-133.2	18	-178.6	0	0	0	0	0	113.3	Y170 Y187 D190	Y170-A185 HydrophobicContact CD1-CB 4.43Å; Y170-A185 HydrophobicContact CG-CB 4.49Å; A185-Y187 PolarHBondContact O-N 2.84Å; A185-D190 PolarHBondContact N-OD2 3.4Å
186	D	93.9	Very high	95.3	Very high	67 Å²	67	58 Å²	58	36%	0.358	31%	0.305	S	S	.	.			trans	-77.9	107.5	173.3	178	-9.3	0	0	0	109.1	A188 K189 D190	D186-A188 PolarHBondContact O-N 2.68Å; D186-A188 VanDerWaalsContact O-N 3.07Å; D186-A188 PolarHBondContact OD1-N 3.01Å; D186-A188 VanDerWaalsContact OD1-N 3.13Å; D186-K189 PolarHBondContact O-N 2.82Å; D186-K189 IonicContact OD2-NZ 2.68Å; D186-K189 PolarHBondContact OD2-NZ 3Å; D186-D190 PolarHBondContact N-OD2 2.99Å; D186-D190 WeakPolarHBondContact O-CB 3.31Å; D186-D190 PolarHBondContact O-N 3.41Å
187	Y	93.1	Very high	95.4	Very high	75 Å²	75	55.3 Å²	55.3	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-47.8	-41.3	-177.4	169.2	-110.8	0	0	0	113.6	A185 K189 Y191 A232 P233 Q234	A185-Y187 PolarHBondContact O-N 2.84Å; Y187-K189 PolarHBondContact O-N 2.91Å; Y187-Y191 HydrophobicContact CD2-CD1 4.17Å; Y187-Y191 HydrophobicContact CD2-CD2 4.48Å; Y187-Y191 AromaticContact CD2-CG 3.87Å; Y187-Y191 HydrophobicContact CD2-CG 3.87Å; Y187-Y191 AromaticContact CE2-CD1 3.67Å; Y187-Y191 HydrophobicContact CE2-CD1 3.67Å; Y187-Y191 HydrophobicContact CE2-CE1 4.32Å; Y187-Y191 AromaticContact CE2-CG 3.87Å; Y187-Y191 HydrophobicContact CE2-CG 3.87Å; Y187-Y191 WeakPolarHBondContact O-CB 3.32Å; Y187-A232 HydrophobicContact CD2-CB 4.3Å; Y187-A232 HydrophobicContact CE2-CB 3.5Å; Y187-P233 HydrophobicContact CD1-CG 4.18Å; Y187-P233 HydrophobicContact CD2-CG 4.1Å; Y187-P233 VanDerWaalsContact CG-CD 3.43Å; Y187-P233 HydrophobicContact CG-CG 3.78Å; Y187-Q234 PolarHBondContact OH-NE2 2.98Å; Y187-Q234 PolarHBondContact OH-OE1 3.42Å
188	A	92.9	Very high	95.6	Very high	83 Å²	83	56.6 Å²	56.6	69%	0.686	30%	0.301	S	S	*	.	H	α-helix	trans	-73.5	-6.8	-174.6	0	0	0	0	0	114.3	D186	D186-A188 PolarHBondContact O-N 2.68Å; D186-A188 VanDerWaalsContact O-N 3.07Å; D186-A188 PolarHBondContact OD1-N 3.01Å; D186-A188 VanDerWaalsContact OD1-N 3.13Å
189	K	93	Very high	95.7	Very high	144 Å²	144	56.5 Å²	56.5	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-132.2	-38.3	-177.2	-56.5	-175	-173.1	68	0	113.5	D186 Y187	D186-K189 PolarHBondContact O-N 2.82Å; D186-K189 IonicContact OD2-NZ 2.68Å; D186-K189 PolarHBondContact OD2-NZ 3Å; Y187-K189 PolarHBondContact O-N 2.91Å
190	D	95.1	Very high	95.9	Very high	22 Å²	22	48.7 Å²	48.7	12%	0.118	26%	0.258	C	S	.	.	H	α-helix	trans	-101.7	-14.1	-167.4	-66.4	-47.9	0	0	0	113.7	Y170 Y172 H183 G184 A185 D186 F192	Y170-D190 HydrophobicContact CD1-CB 4.43Å; Y172-D190 WeakPolarHBondContact CE1-O 3.22Å; Y172-D190 VanDerWaalsContact CZ-O 3.27Å; Y172-D190 PolarHBondContact OH-O 3.04Å; H183-D190 WeakPolarHBondContact CA-OD1 3.45Å; H183-D190 HydrophobicContact CB-CB 4.08Å; H183-D190 VanDerWaalsContact CB-OD1 3.26Å; H183-D190 WeakPolarHBondContact CB-OD1 3.35Å; H183-D190 IonicContact CG-OD1 3.73Å; H183-D190 IonicContact ND1-OD1 2.71Å; H183-D190 PolarHBondContact ND1-OD1 2.92Å; G184-D190 VanDerWaalsContact C-CG 3.5Å; G184-D190 WeakPolarHBondContact CA-OD2 3.29Å; G184-D190 PolarHBondContact N-OD1 3.38Å; G184-D190 PolarHBondContact N-OD2 3.31Å; A185-D190 PolarHBondContact N-OD2 3.4Å; D186-D190 PolarHBondContact N-OD2 2.99Å; D186-D190 WeakPolarHBondContact O-CB 3.31Å; D186-D190 PolarHBondContact O-N 3.41Å; D190-F192 PolarHBondContact O-N 3.03Å
191	Y	96.7	Very high	96	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	24%	0.237	C	C	.	.			trans	-66.1	112.2	-174	-175.4	-120.3	0	0	0	111.8	F169 Y170 Y187 T193 D194 L195 A232 S289	F169-Y191 HydrophobicContact CB-CD2 4.12Å; F169-Y191 HydrophobicContact CB-CE2 3.88Å; F169-Y191 HydrophobicContact CD1-CD2 4.41Å; F169-Y191 AromaticContact CD1-CE2 3.53Å; F169-Y191 HydrophobicContact CD1-CE2 3.53Å; F169-Y191 AromaticContact CD1-CZ 3.94Å; F169-Y191 HydrophobicContact CE1-CE2 4.47Å; F169-Y191 HydrophobicContact CG-CE2 4.1Å; Y170-Y191 AromaticContact CE1-CD2 3.8Å; Y170-Y191 HydrophobicContact CE1-CD2 3.8Å; Y170-Y191 HydrophobicContact CE1-CG 4.32Å; Y170-Y191 AromaticContact CE2-CD2 3.96Å; Y170-Y191 HydrophobicContact CE2-CD2 3.96Å; Y170-Y191 HydrophobicContact CE2-CE2 4.34Å; Y170-Y191 AromaticContact CZ-CD2 3.44Å; Y170-Y191 VanDerWaalsContact CZ-CD2 3.44Å; Y170-Y191 VanDerWaalsContact OH-CD2 3.32Å; Y170-Y191 WeakPolarHBondContact OH-CD2 3.5Å; Y187-Y191 HydrophobicContact CD2-CD1 4.17Å; Y187-Y191 HydrophobicContact CD2-CD2 4.48Å; Y187-Y191 AromaticContact CD2-CG 3.87Å; Y187-Y191 HydrophobicContact CD2-CG 3.87Å; Y187-Y191 AromaticContact CE2-CD1 3.67Å; Y187-Y191 HydrophobicContact CE2-CD1 3.67Å; Y187-Y191 HydrophobicContact CE2-CE1 4.32Å; Y187-Y191 AromaticContact CE2-CG 3.87Å; Y187-Y191 HydrophobicContact CE2-CG 3.87Å; Y187-Y191 WeakPolarHBondContact O-CB 3.32Å; Y191-T193 VanDerWaalsContact C-N 3.33Å; Y191-T193 PolarHBondContact O-N 2.89Å; Y191-D194 HydrophobicContact CD1-CB 4.16Å; Y191-D194 VanDerWaalsContact CD1-OD1 3.3Å; Y191-D194 WeakPolarHBondContact CD1-OD1 3.36Å; Y191-D194 WeakPolarHBondContact CE1-OD1 3.4Å; Y191-D194 PolarHBondContact O-N 2.86Å; Y191-D194 VanDerWaalsContact O-N 3.16Å; Y191-L195 PolarHBondContact O-N 2.74Å; Y191-A232 HydrophobicContact CD1-CB 4.37Å; Y191-A232 HydrophobicContact CE1-CB 3.8Å; Y191-A232 PolarHBondContact OH-N 2.87Å; Y191-S289 WeakPolarHBondContact CE1-OG 3.28Å; Y191-S289 WeakPolarHBondContact OH-CB 3.47Å; Y191-S289 PolarHBondContact OH-OG 2.61Å
192	F	97	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.4	-40.5	-164.4	-179.3	-115.2	0	0	0	114.5	L163 R168 F169 Y172 V174 D190 L195 I196 A223	L163-F192 HydrophobicContact CB-CE2 3.98Å; L163-F192 HydrophobicContact CB-CZ 3.76Å; L163-F192 HydrophobicContact CD1-CD2 4.45Å; L163-F192 HydrophobicContact CD1-CE2 3.91Å; L163-F192 HydrophobicContact CD1-CZ 4.22Å; L163-F192 HydrophobicContact CD2-CE1 4.06Å; L163-F192 HydrophobicContact CD2-CE2 4.25Å; L163-F192 HydrophobicContact CD2-CZ 3.7Å; L163-F192 HydrophobicContact CG-CE2 4.26Å; L163-F192 HydrophobicContact CG-CZ 4.09Å; R168-F192 WeakPolarHBondContact O-CD1 3.14Å; F169-F192 PolarHBondContact O-N 2.96Å; Y172-F192 HydrophobicContact CD1-CB 4.46Å; Y172-F192 HydrophobicContact CD2-CD2 4.18Å; Y172-F192 HydrophobicContact CE1-CB 3.75Å; Y172-F192 HydrophobicContact CE1-CD2 4.26Å; Y172-F192 HydrophobicContact CE1-CG 4.42Å; Y172-F192 AromaticContact CE2-CD2 3.62Å; Y172-F192 HydrophobicContact CE2-CD2 3.62Å; Y172-F192 HydrophobicContact CE2-CE2 4.29Å; Y172-F192 AromaticContact CZ-CD2 3.68Å; Y172-F192 WeakPolarHBondContact OH-CA 3.43Å; V174-F192 HydrophobicContact CG1-CE2 4.17Å; D190-F192 PolarHBondContact O-N 3.03Å; F192-L195 PolarHBondContact O-N 3.11Å; F192-I196 HydrophobicContact CD2-CG2 4.06Å; F192-I196 HydrophobicContact CE1-CD1 4.17Å; F192-I196 HydrophobicContact CE2-CG2 3.73Å; F192-I196 HydrophobicContact CZ-CD1 4.41Å; F192-I196 HydrophobicContact CZ-CG2 4.07Å; F192-I196 WeakPolarHBondContact O-CG1 3.41Å; F192-I196 PolarHBondContact O-N 3.46Å; F192-I196 VanDerWaalsContact O-N 3.07Å; F192-A223 HydrophobicContact CD1-CB 3.67Å; F192-A223 HydrophobicContact CE1-CB 3.64Å
193	T	97.2	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-45.2	-179.2	-67.9	0	0	0	0	111.8	Y191 I196 T197 S289 V290	Y191-T193 VanDerWaalsContact C-N 3.33Å; Y191-T193 PolarHBondContact O-N 2.89Å; T193-I196 WeakPolarHBondContact O-CG1 3.31Å; T193-T197 WeakPolarHBondContact O-CB 3.48Å; T193-T197 PolarHBondContact O-N 2.92Å; T193-T197 VanDerWaalsContact O-N 3.16Å; T193-T197 PolarHBondContact O-OG1 3.49Å; T193-S289 WeakPolarHBondContact CG2-O 3.38Å; T193-V290 HydrophobicContact CG2-CG2 4.45Å
194	D	97.3	Very high	96.3	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.134	21%	0.207	C	C	.	.	H	α-helix	trans	-73	-37.3	179.7	-78.5	62	0	0	0	111.1	Y191 T197 N198 K296	Y191-D194 HydrophobicContact CD1-CB 4.16Å; Y191-D194 VanDerWaalsContact CD1-OD1 3.3Å; Y191-D194 WeakPolarHBondContact CD1-OD1 3.36Å; Y191-D194 WeakPolarHBondContact CE1-OD1 3.4Å; Y191-D194 PolarHBondContact O-N 2.86Å; Y191-D194 VanDerWaalsContact O-N 3.16Å; D194-T197 PolarHBondContact O-N 2.82Å; D194-N198 WeakPolarHBondContact O-CB 3.48Å; D194-N198 PolarHBondContact O-N 3.3Å; D194-N198 PolarHBondContact O-ND2 2.92Å; D194-K296 IonicContact OD2-NZ 3.6Å; D194-K296 PolarHBondContact OD2-NZ 3Å
195	L	97.3	Very high	96.4	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-53.5	174.5	-177.3	147.4	0	0	0	111.9	V161 H183 Y191 F192 T197 N198 D199	V161-L195 HydrophobicContact CG1-CD2 4.31Å; H183-L195 WeakPolarHBondContact CE1-CD1 3.48Å; Y191-L195 PolarHBondContact O-N 2.74Å; F192-L195 PolarHBondContact O-N 3.11Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 2.9Å; L195-N198 PolarHBondContact O-N 2.88Å; L195-D199 WeakPolarHBondContact O-CB 3.49Å; L195-D199 PolarHBondContact O-N 3.27Å
196	I	97.8	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-27.9	-178.6	69.6	174.6	0	0	0	112.7	F141 F192 T193 S200 I220	F141-I196 HydrophobicContact CB-CB 3.97Å; F141-I196 HydrophobicContact CB-CG2 4.46Å; F192-I196 HydrophobicContact CD2-CG2 4.06Å; F192-I196 HydrophobicContact CE1-CD1 4.17Å; F192-I196 HydrophobicContact CE2-CG2 3.73Å; F192-I196 HydrophobicContact CZ-CD1 4.41Å; F192-I196 HydrophobicContact CZ-CG2 4.07Å; F192-I196 WeakPolarHBondContact O-CG1 3.41Å; F192-I196 PolarHBondContact O-N 3.46Å; F192-I196 VanDerWaalsContact O-N 3.07Å; T193-I196 WeakPolarHBondContact O-CG1 3.31Å; I196-S200 WeakPolarHBondContact O-CB 3.45Å; I196-S200 PolarHBondContact O-N 2.84Å; I196-S200 VanDerWaalsContact O-N 3.11Å; I196-S200 PolarHBondContact O-OG 3.48Å; I196-I220 HydrophobicContact CD1-CG2 4.19Å; I196-I220 HydrophobicContact CG1-CG2 4.29Å
197	T	98.4	Very high	96.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-53.7	173.7	-59	0	0	0	0	110.2	T193 D194 L195 D199 S200 I201 S293 K296	T193-T197 WeakPolarHBondContact O-CB 3.48Å; T193-T197 PolarHBondContact O-N 2.92Å; T193-T197 VanDerWaalsContact O-N 3.16Å; T193-T197 PolarHBondContact O-OG1 3.49Å; D194-T197 PolarHBondContact O-N 2.82Å; L195-T197 VanDerWaalsContact C-N 3.28Å; L195-T197 PolarHBondContact O-N 2.9Å; T197-D199 VanDerWaalsContact C-N 3.35Å; T197-D199 PolarHBondContact O-N 3.02Å; T197-S200 PolarHBondContact O-N 2.99Å; T197-S200 VanDerWaalsContact O-N 3.16Å; T197-S200 PolarHBondContact O-OG 2.85Å; T197-I201 HydrophobicContact CG2-CD1 3.89Å; T197-I201 PolarHBondContact O-N 2.86Å; T197-S293 WeakPolarHBondContact CG2-OG 3.27Å; T197-S293 WeakPolarHBondContact OG1-CB 3.49Å; T197-S293 PolarHBondContact OG1-OG 3.12Å; T197-K296 HydrophobicContact CG2-CB 4.12Å; T197-K296 HydrophobicContact CG2-CD 4.21Å
198	N	98.1	Very high	96.8	Very high	83 Å²	83	35.6 Å²	35.6	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-38.7	-177.7	-67.7	-23.8	0	0	0	112.1	D194 L195 S202	D194-N198 WeakPolarHBondContact O-CB 3.48Å; D194-N198 PolarHBondContact O-N 3.3Å; D194-N198 PolarHBondContact O-ND2 2.92Å; L195-N198 PolarHBondContact O-N 2.88Å; N198-S202 VanDerWaalsContact O-CB 3.28Å; N198-S202 WeakPolarHBondContact O-CB 3.26Å; N198-S202 PolarHBondContact O-N 3.41Å; N198-S202 PolarHBondContact O-OG 2.99Å
199	D	97.5	Very high	96.9	Very high	36 Å²	36	40 Å²	40	19%	0.193	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-45	172.4	-83.2	-22.7	0	0	0	111.8	F141 R176 L195 T197 S202 F203	F141-D199 HydrophobicContact CD1-CB 3.77Å; F141-D199 HydrophobicContact CE1-CB 3.87Å; R176-D199 IonicContact CZ-OD1 2.92Å; R176-D199 IonicContact CZ-OD2 3.19Å; R176-D199 VanDerWaalsContact CZ-OD2 3.27Å; R176-D199 IonicContact NH1-OD1 2.79Å; R176-D199 PolarHBondContact NH1-OD1 3.47Å; R176-D199 IonicContact NH1-OD2 3.87Å; R176-D199 PolarHBondContact NH1-OD2 2.86Å; R176-D199 IonicContact NH2-OD1 3.16Å; R176-D199 IonicContact NH2-OD2 2.75Å; R176-D199 PolarHBondContact NH2-OD2 3.23Å; L195-D199 WeakPolarHBondContact O-CB 3.49Å; L195-D199 PolarHBondContact O-N 3.27Å; T197-D199 VanDerWaalsContact C-N 3.35Å; T197-D199 PolarHBondContact O-N 3.02Å; D199-S202 PolarHBondContact O-N 2.98Å; D199-F203 WeakPolarHBondContact O-CB 3.38Å; D199-F203 PolarHBondContact O-N 3.4Å
200	S	98.3	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-41.1	-179.6	76.4	0	0	0	0	113.1	I196 T197 F203 F204 I220	I196-S200 WeakPolarHBondContact O-CB 3.45Å; I196-S200 PolarHBondContact O-N 2.84Å; I196-S200 VanDerWaalsContact O-N 3.11Å; I196-S200 PolarHBondContact O-OG 3.48Å; T197-S200 PolarHBondContact O-N 2.99Å; T197-S200 VanDerWaalsContact O-N 3.16Å; T197-S200 PolarHBondContact O-OG 2.85Å; S200-F203 PolarHBondContact O-N 3Å; S200-F204 WeakPolarHBondContact O-CB 3.34Å; S200-F204 PolarHBondContact O-N 2.89Å; S200-I220 VanDerWaalsContact OG-CD1 3.31Å; S200-I220 WeakPolarHBondContact OG-CD1 3.43Å
201	I	98.5	Very high	96.9	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-44.5	175.1	-74.6	166.8	0	0	0	110.5	T197 F204 R205 K296 V297 M300	T197-I201 HydrophobicContact CG2-CD1 3.89Å; T197-I201 PolarHBondContact O-N 2.86Å; I201-F204 PolarHBondContact O-N 3.31Å; I201-R205 WeakPolarHBondContact O-CB 3.43Å; I201-R205 WeakPolarHBondContact O-CG 3.29Å; I201-R205 PolarHBondContact O-N 3.03Å; I201-K296 HydrophobicContact CD1-CB 3.76Å; I201-K296 WeakPolarHBondContact CD1-O 3.36Å; I201-V297 HydrophobicContact CD1-CG2 4.42Å; I201-V297 HydrophobicContact CG1-CG2 4.3Å; I201-M300 HydrophobicContact CB-CG 4.41Å; I201-M300 HydrophobicContact CG1-CB 4.32Å; I201-M300 HydrophobicContact CG1-CG 4.23Å; I201-M300 HydrophobicContact CG2-CB 4.46Å; I201-M300 HydrophobicContact CG2-CG 3.91Å
202	S	97.9	Very high	96.6	Very high	71 Å²	71	44.1 Å²	44.1	50%	0.497	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-44.2	177.2	-60.9	0	0	0	0	111.4	N198 D199 M206	N198-S202 VanDerWaalsContact O-CB 3.28Å; N198-S202 WeakPolarHBondContact O-CB 3.26Å; N198-S202 PolarHBondContact O-N 3.41Å; N198-S202 PolarHBondContact O-OG 2.99Å; D199-S202 PolarHBondContact O-N 2.98Å; S202-M206 WeakPolarHBondContact O-CB 3.37Å; S202-M206 PolarHBondContact O-N 3.25Å
203	F	97.8	Very high	96.2	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.053	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-42.7	174.9	170.6	-94.3	0	0	0	112.5	R137 A139 F141 E159 D199 S200 S207 V216 M218	R137-F203 HydrophobicContact CB-CZ 4.23Å; A139-F203 HydrophobicContact CB-CD1 3.72Å; A139-F203 HydrophobicContact CB-CD2 4.38Å; A139-F203 HydrophobicContact CB-CE1 3.38Å; A139-F203 HydrophobicContact CB-CE2 4.08Å; A139-F203 HydrophobicContact CB-CG 4.21Å; A139-F203 HydrophobicContact CB-CZ 3.58Å; F141-F203 HydrophobicContact CE1-CB 4.41Å; F141-F203 HydrophobicContact CE2-CB 4.4Å; F141-F203 HydrophobicContact CE2-CD1 4.29Å; F141-F203 HydrophobicContact CE2-CG 4.46Å; F141-F203 HydrophobicContact CZ-CB 3.61Å; F141-F203 HydrophobicContact CZ-CD1 4.13Å; F141-F203 AromaticContact CZ-CG 3.84Å; F141-F203 HydrophobicContact CZ-CG 3.84Å; E159-F203 HydrophobicContact CB-CD2 3.56Å; E159-F203 HydrophobicContact CB-CE2 3.46Å; E159-F203 VanDerWaalsContact CB-CE2 3.46Å; E159-F203 HydrophobicContact CB-CG 4.4Å; E159-F203 HydrophobicContact CB-CZ 4.26Å; E159-F203 HydrophobicContact CG-CD2 3.62Å; E159-F203 HydrophobicContact CG-CE2 4.08Å; E159-F203 HydrophobicContact CG-CG 4.26Å; D199-F203 WeakPolarHBondContact O-CB 3.38Å; D199-F203 PolarHBondContact O-N 3.4Å; S200-F203 PolarHBondContact O-N 3Å; F203-S207 WeakPolarHBondContact CE2-OG 3.41Å; F203-S207 VanDerWaalsContact CZ-OG 3.3Å; F203-S207 WeakPolarHBondContact CZ-OG 3.32Å; F203-S207 WeakPolarHBondContact O-CB 3.24Å; F203-S207 PolarHBondContact O-N 2.9Å; F203-S207 PolarHBondContact O-OG 2.89Å; F203-V216 HydrophobicContact CE1-CG1 3.88Å; F203-M218 HydrophobicContact CD1-SD 4.38Å
204	F	98.1	Very high	96	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-53.2	179.8	-168.8	-77.9	0	0	0	111	N45 S200 I201 M206 S207 K208 V216 M218 M300 L301 E306	N45-F204 HydrophobicContact CB-CE2 4.23Å; S200-F204 WeakPolarHBondContact O-CB 3.34Å; S200-F204 PolarHBondContact O-N 2.89Å; I201-F204 PolarHBondContact O-N 3.31Å; F204-M206 VanDerWaalsContact C-N 3.32Å; F204-M206 PolarHBondContact O-N 2.89Å; F204-S207 WeakPolarHBondContact O-CB 3.24Å; F204-S207 PolarHBondContact O-N 2.98Å; F204-S207 VanDerWaalsContact O-N 3.11Å; F204-K208 HydrophobicContact CD1-CG 3.93Å; F204-K208 HydrophobicContact CE1-CD 4.46Å; F204-K208 HydrophobicContact CE1-CG 3.63Å; F204-K208 HydrophobicContact CZ-CG 4.24Å; F204-K208 PolarHBondContact O-N 3.21Å; F204-V216 HydrophobicContact CD2-CB 3.95Å; F204-V216 HydrophobicContact CD2-CG1 3.72Å; F204-V216 HydrophobicContact CD2-CG2 4.13Å; F204-V216 HydrophobicContact CE2-CB 3.88Å; F204-V216 HydrophobicContact CE2-CG1 4.09Å; F204-V216 HydrophobicContact CE2-CG2 4.21Å; F204-M218 HydrophobicContact CB-CE 4.17Å; F204-M218 HydrophobicContact CB-SD 4.34Å; F204-M218 HydrophobicContact CD2-CE 3.91Å; F204-M218 HydrophobicContact CD2-SD 4.3Å; F204-M218 HydrophobicContact CG-CE 4.42Å; F204-M300 HydrophobicContact CB-CE 3.88Å; F204-M300 HydrophobicContact CB-SD 3.96Å; F204-M300 HydrophobicContact CD1-CE 3.8Å; F204-M300 HydrophobicContact CD1-SD 3.24Å; F204-M300 WeakPolarHBondContact CD1-SD 3.38Å; F204-M300 HydrophobicContact CD2-CE 4.13Å; F204-M300 HydrophobicContact CE1-CE 4.33Å; F204-M300 HydrophobicContact CE1-SD 3.82Å; F204-M300 HydrophobicContact CG-CE 3.68Å; F204-M300 HydrophobicContact CG-SD 3.72Å; F204-L301 HydrophobicContact CE1-CD2 3.86Å; F204-L301 HydrophobicContact CE2-CD2 3.97Å; F204-L301 HydrophobicContact CZ-CD2 3.46Å; F204-L301 VanDerWaalsContact CZ-CD2 3.46Å; F204-E306 HydrophobicContact CE1-CB 4.12Å; F204-E306 HydrophobicContact CE1-CG 4.24Å; F204-E306 HydrophobicContact CZ-CB 4.01Å; F204-E306 HydrophobicContact CZ-CG 4.35Å
205	R	97.6	Very high	95.9	Very high	111 Å²	111	54.7 Å²	54.7	42%	0.419	26%	0.263	S	S	.	.	H	α-helix	trans	-55	-45.6	176.9	-72.8	176.3	173.8	160.5	-3.8	111.3	I201 K209 M300 E303 T304	I201-R205 WeakPolarHBondContact O-CB 3.43Å; I201-R205 WeakPolarHBondContact O-CG 3.29Å; I201-R205 PolarHBondContact O-N 3.03Å; R205-K209 VanDerWaalsContact O-CB 3.3Å; R205-K209 WeakPolarHBondContact O-CB 3.42Å; R205-K209 PolarHBondContact O-N 2.84Å; R205-M300 HydrophobicContact CG-CG 4.07Å; R205-M300 HydrophobicContact CG-SD 4.45Å; R205-E303 IonicContact CZ-OE2 3.65Å; R205-E303 IonicContact NE-OE2 3.73Å; R205-E303 IonicContact NH2-OE1 3.2Å; R205-E303 PolarHBondContact NH2-OE1 2.89Å; R205-E303 IonicContact NH2-OE2 3.36Å; R205-E303 PolarHBondContact NH2-OE2 3.34Å; R205-T304 HydrophobicContact CG-CG2 4.25Å
206	M	96.8	Very high	96	Very high	104 Å²	104	53.7 Å²	53.7	51%	0.512	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-41	176.7	-169.7	63.3	74.9	0	0	112.5	S202 F204 K208 K209 I210	S202-M206 WeakPolarHBondContact O-CB 3.37Å; S202-M206 PolarHBondContact O-N 3.25Å; F204-M206 VanDerWaalsContact C-N 3.32Å; F204-M206 PolarHBondContact O-N 2.89Å; M206-K208 PolarHBondContact O-N 2.9Å; M206-K209 PolarHBondContact O-N 2.82Å; M206-I210 HydrophobicContact CG-CD1 3.83Å; M206-I210 HydrophobicContact CG-CG1 4.46Å; M206-I210 WeakPolarHBondContact O-CG1 3.41Å; M206-I210 PolarHBondContact O-N 3.18Å; M206-I210 HydrophobicContact SD-CD1 3.77Å; M206-I210 HydrophobicContact SD-CG1 4.14Å
207	S	95.8	Very high	96	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-42.5	178.6	-69.5	0	0	0	0	112.2	R137 F203 F204 Y211	R137-S207 PolarHBondContact NE-OG 2.7Å; R137-S207 PolarHBondContact NH2-OG 3.16Å; F203-S207 WeakPolarHBondContact CE2-OG 3.41Å; F203-S207 VanDerWaalsContact CZ-OG 3.3Å; F203-S207 WeakPolarHBondContact CZ-OG 3.32Å; F203-S207 WeakPolarHBondContact O-CB 3.24Å; F203-S207 PolarHBondContact O-N 2.9Å; F203-S207 PolarHBondContact O-OG 2.89Å; F204-S207 WeakPolarHBondContact O-CB 3.24Å; F204-S207 PolarHBondContact O-N 2.98Å; F204-S207 VanDerWaalsContact O-N 3.11Å; S207-Y211 CarbonylContact O-C 3.51Å; S207-Y211 WeakPolarHBondContact O-CA 3.33Å; S207-Y211 WeakPolarHBondContact O-CB 3.4Å; S207-Y211 PolarHBondContact O-N 3.45Å
208	K	94.1	Very high	95.9	Very high	19 Å²	19	53.7 Å²	53.7	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-72.3	-38.7	175.9	-68.5	-64.1	-174.5	167.8	0	112.5	N45 F204 M206 I210 Y211 P212 E306	N45-K208 PolarHBondContact ND2-NZ 2.85Å; N45-K208 VanDerWaalsContact OD1-CE 3.22Å; N45-K208 WeakPolarHBondContact OD1-CE 3.22Å; N45-K208 PolarHBondContact OD1-NZ 3.14Å; F204-K208 HydrophobicContact CD1-CG 3.93Å; F204-K208 HydrophobicContact CE1-CD 4.46Å; F204-K208 HydrophobicContact CE1-CG 3.63Å; F204-K208 HydrophobicContact CZ-CG 4.24Å; F204-K208 PolarHBondContact O-N 3.21Å; M206-K208 PolarHBondContact O-N 2.9Å; K208-I210 PolarHBondContact O-N 2.94Å; K208-Y211 CarbonylContact O-C 3.39Å; K208-P212 VanDerWaalsContact O-CA 3.27Å; K208-P212 WeakPolarHBondContact O-CA 3.28Å; K208-P212 WeakPolarHBondContact O-CD 3.39Å; K208-P212 WeakPolarHBondContact O-CG 3.5Å; K208-P212 VanDerWaalsContact O-N 3.14Å; K208-E306 HydrophobicContact CD-CG 4.25Å; K208-E306 VanDerWaalsContact CD-OE1 3.31Å; K208-E306 WeakPolarHBondContact CD-OE1 3.28Å; K208-E306 WeakPolarHBondContact CE-OE1 3.37Å; K208-E306 WeakPolarHBondContact CE-OE2 3.48Å; K208-E306 HydrophobicContact CG-CG 4.48Å; K208-E306 IonicContact NZ-OE1 3.61Å; K208-E306 PolarHBondContact NZ-OE1 2.83Å; K208-E306 IonicContact NZ-OE2 3.32Å; K208-E306 PolarHBondContact NZ-OE2 3.04Å
209	K	95.1	Very high	96	Very high	175 Å²	175	49.8 Å²	49.8	76%	0.761	24%	0.237	S	C	*	.	H	α-helix	trans	-61	-41.1	175.4	-174.2	174.1	-178.4	176.4	0	113.2	R205 M206	R205-K209 VanDerWaalsContact O-CB 3.3Å; R205-K209 WeakPolarHBondContact O-CB 3.42Å; R205-K209 PolarHBondContact O-N 2.84Å; M206-K209 PolarHBondContact O-N 2.82Å
210	I	95.1	Very high	96	Very high	94 Å²	94	48.1 Å²	48.1	48%	0.482	23%	0.228	S	C	.	.	H	α-helix	trans	-86.9	-34	-179.4	-56.4	173.2	0	0	0	111.8	M206 K208	M206-I210 HydrophobicContact CG-CD1 3.83Å; M206-I210 HydrophobicContact CG-CG1 4.46Å; M206-I210 WeakPolarHBondContact O-CG1 3.41Å; M206-I210 PolarHBondContact O-N 3.18Å; M206-I210 HydrophobicContact SD-CD1 3.77Å; M206-I210 HydrophobicContact SD-CG1 4.14Å; K208-I210 PolarHBondContact O-N 2.94Å
211	Y	93.4	Very high	96	Very high	87 Å²	87	48.1 Å²	48.1	34%	0.341	23%	0.228	S	C	.	.			trans	-133.4	68.6	-175.6	-53.4	-80.9	0	0	0	112.7	R137 S207 K208 H213 R214	R137-Y211 VanDerWaalsContact NH1-CE2 3.27Å; S207-Y211 CarbonylContact O-C 3.51Å; S207-Y211 WeakPolarHBondContact O-CA 3.33Å; S207-Y211 WeakPolarHBondContact O-CB 3.4Å; S207-Y211 PolarHBondContact O-N 3.45Å; K208-Y211 CarbonylContact O-C 3.39Å; Y211-H213 PolarHBondContact O-N 3Å; Y211-R214 PolarHBondContact O-N 3.37Å
212	P	90.2	Very high	96	Very high	73 Å²	73	47.5 Å²	47.5	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.2	-171.9	-28	33.7	0	0	0	115.2	K208	K208-P212 VanDerWaalsContact O-CA 3.27Å; K208-P212 WeakPolarHBondContact O-CA 3.28Å; K208-P212 WeakPolarHBondContact O-CD 3.39Å; K208-P212 WeakPolarHBondContact O-CG 3.5Å; K208-P212 VanDerWaalsContact O-N 3.14Å
213	H	89.3	Confident	95.9	Very high	126 Å²	126	44.1 Å²	44.1	58%	0.583	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	6.3	-177.5	-55.2	-26.7	0	0	0	114.3	Y211	Y211-H213 PolarHBondContact O-N 3Å
214	R	92.3	Very high	95.8	Very high	109 Å²	109	43.5 Å²	43.5	41%	0.411	20%	0.199	S	C	.	.	S	Bend	trans	-91.2	131.5	170.1	-69.1	-169.1	-177.1	-169.8	2.7	109.6	R137 Y211	R137-R214 HydrophobicContact CG-CB 4.45Å; Y211-R214 PolarHBondContact O-N 3.37Å
215	P	95.8	Very high	95.7	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.084	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-73.7	143.3	176.5	34	-37.6	0	0	0	110.2	R43 Y136 R137	R43-P215 HydrophobicContact CB-CB 4.36Å; R43-P215 HydrophobicContact CB-CG 4.2Å; R43-P215 WeakPolarHBondContact O-CB 3.22Å; Y136-P215 HydrophobicContact CD1-CB 3.78Å; Y136-P215 HydrophobicContact CD1-CG 3.69Å; Y136-P215 HydrophobicContact CD2-CG 3.82Å; Y136-P215 HydrophobicContact CE1-CB 3.44Å; Y136-P215 VanDerWaalsContact CE1-CB 3.44Å; Y136-P215 HydrophobicContact CE1-CG 3.64Å; Y136-P215 HydrophobicContact CE2-CB 4.36Å; Y136-P215 HydrophobicContact CE2-CG 3.75Å; Y136-P215 HydrophobicContact CG-CB 4.39Å; Y136-P215 HydrophobicContact CG-CG 3.77Å; R137-P215 PolarHBondContact N-O 3.04Å
216	V	97.5	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.6	173.1	173.1	0	0	0	0	109.2	N45 I46 R137 F203 F204 M218	N45-V216 CarbonylContact C-O 3.47Å; N45-V216 WeakPolarHBondContact CA-O 3.39Å; N45-V216 HydrophobicContact CB-CB 4.46Å; N45-V216 WeakPolarHBondContact CB-O 3.33Å; N45-V216 PolarHBondContact OD1-N 2.83Å; I46-V216 PolarHBondContact N-O 3.19Å; R137-V216 HydrophobicContact CB-CG2 4.48Å; F203-V216 HydrophobicContact CE1-CG1 3.88Å; F204-V216 HydrophobicContact CD2-CB 3.95Å; F204-V216 HydrophobicContact CD2-CG1 3.72Å; F204-V216 HydrophobicContact CD2-CG2 4.13Å; F204-V216 HydrophobicContact CE2-CB 3.88Å; F204-V216 HydrophobicContact CE2-CG1 4.09Å; F204-V216 HydrophobicContact CE2-CG2 4.21Å; V216-M218 HydrophobicContact CG1-CB 4.41Å; V216-M218 HydrophobicContact CG1-CG 4.33Å; V216-M218 HydrophobicContact CG1-SD 4.43Å
217	M	97.7	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.9	159	-173.3	-88.9	162.7	0	0	108.8	I46 L48 F127 L131 Y136 R137 T138 A139 W157 V219 I369	I46-M217 HydrophobicContact CB-CB 4.31Å; I46-M217 HydrophobicContact CB-CG 3.8Å; I46-M217 HydrophobicContact CG2-CE 4.46Å; I46-M217 HydrophobicContact CG2-CG 4.17Å; I46-M217 CarbonylContact O-C 3.57Å; I46-M217 VanDerWaalsContact O-CA 3.24Å; I46-M217 WeakPolarHBondContact O-CA 3.43Å; L48-M217 HydrophobicContact CB-CE 4.36Å; F127-M217 HydrophobicContact CD2-CE 4.29Å; F127-M217 HydrophobicContact CE2-CE 3.54Å; F127-M217 HydrophobicContact CE2-SD 4.06Å; F127-M217 HydrophobicContact CZ-CE 4.26Å; L131-M217 HydrophobicContact CD2-CB 3.79Å; L131-M217 HydrophobicContact CD2-CG 3.62Å; L131-M217 HydrophobicContact CD2-SD 4.5Å; Y136-M217 HydrophobicContact CD1-CB 3.7Å; Y136-M217 HydrophobicContact CE1-CB 4.25Å; R137-M217 PolarHBondContact O-N 3.21Å; T138-M217 CarbonylContact C-O 3.42Å; T138-M217 WeakPolarHBondContact CA-O 3.25Å; T138-M217 HydrophobicContact CG2-CB 4.42Å; A139-M217 PolarHBondContact N-O 3.25Å; W157-M217 HydrophobicContact CH2-SD 4.31Å; W157-M217 HydrophobicContact CZ3-SD 3.95Å; M217-V219 HydrophobicContact CE-CG2 3.62Å; M217-V219 HydrophobicContact SD-CG2 4.38Å; M217-I369 HydrophobicContact CE-CD1 4.32Å
218	M	98	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.4	176.5	65.1	-175.3	-174.1	0	0	113.4	I46 I47 L48 A139 F141 F203 F204 V216 I220 M300	I46-M218 PolarHBondContact O-N 2.82Å; I47-M218 WeakPolarHBondContact CA-O 3.46Å; I47-M218 HydrophobicContact CD1-CE 3.61Å; I47-M218 HydrophobicContact CG1-CE 3.89Å; I47-M218 HydrophobicContact CG1-CG 4.13Å; I47-M218 HydrophobicContact CG2-CE 4.23Å; I47-M218 HydrophobicContact CG2-CG 4.31Å; L48-M218 PolarHBondContact N-O 2.81Å; A139-M218 HydrophobicContact CB-CB 4.03Å; A139-M218 VanDerWaalsContact O-CA 3.25Å; A139-M218 WeakPolarHBondContact O-CA 3.49Å; F141-M218 HydrophobicContact CE2-CB 4.25Å; F141-M218 HydrophobicContact CE2-SD 4.34Å; F203-M218 HydrophobicContact CD1-SD 4.38Å; F204-M218 HydrophobicContact CB-CE 4.17Å; F204-M218 HydrophobicContact CB-SD 4.34Å; F204-M218 HydrophobicContact CD2-CE 3.91Å; F204-M218 HydrophobicContact CD2-SD 4.3Å; F204-M218 HydrophobicContact CG-CE 4.42Å; V216-M218 HydrophobicContact CG1-CB 4.41Å; V216-M218 HydrophobicContact CG1-CG 4.33Å; V216-M218 HydrophobicContact CG1-SD 4.43Å; M218-I220 HydrophobicContact CE-CD1 4.28Å; M218-M300 HydrophobicContact CE-CE 4.28Å
219	V	98.8	Very high	94.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.1	170.6	-174	0	0	0	0	108.9	L48 M50 F127 A139 F140 F141 W157 M217	L48-V219 HydrophobicContact CB-CG1 4.48Å; L48-V219 HydrophobicContact CB-CG2 4.29Å; L48-V219 HydrophobicContact CD2-CG1 4.29Å; L48-V219 HydrophobicContact CD2-CG2 4.26Å; L48-V219 HydrophobicContact CG-CG1 4.33Å; L48-V219 CarbonylContact O-C 3.56Å; L48-V219 WeakPolarHBondContact O-CA 3.43Å; M50-V219 HydrophobicContact CE-CG1 4.47Å; F127-V219 HydrophobicContact CE2-CG2 4.35Å; F127-V219 HydrophobicContact CZ-CG2 4.19Å; A139-V219 PolarHBondContact O-N 3.09Å; F140-V219 HydrophobicContact CD2-CB 3.58Å; F140-V219 HydrophobicContact CD2-CG1 4.01Å; F140-V219 HydrophobicContact CD2-CG2 3.94Å; F140-V219 HydrophobicContact CE2-CB 3.72Å; F140-V219 HydrophobicContact CE2-CG1 3.59Å; F140-V219 HydrophobicContact CE2-CG2 4.17Å; F140-V219 HydrophobicContact CG-CB 4.39Å; F140-V219 HydrophobicContact CZ-CG1 4.21Å; F141-V219 PolarHBondContact N-O 3.25Å; W157-V219 HydrophobicContact CH2-CG2 3.6Å; W157-V219 HydrophobicContact CZ3-CG2 4.12Å; M217-V219 HydrophobicContact CE-CG2 3.62Å; M217-V219 HydrophobicContact SD-CG2 4.38Å
220	I	98.7	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	93.7	171.9	-50.1	174.6	0	0	0	106.5	I47 L48 M50 I196 S200 M218 H222 V297	I47-I220 HydrophobicContact CG2-CD1 4.22Å; L48-I220 PolarHBondContact O-N 3.15Å; M50-I220 PolarHBondContact N-O 3.48Å; I196-I220 HydrophobicContact CD1-CG2 4.19Å; I196-I220 HydrophobicContact CG1-CG2 4.29Å; S200-I220 VanDerWaalsContact OG-CD1 3.31Å; S200-I220 WeakPolarHBondContact OG-CD1 3.43Å; M218-I220 HydrophobicContact CE-CD1 4.28Å; I220-H222 WeakPolarHBondContact CG2-NE2 3.3Å; I220-V297 HydrophobicContact CD1-CG2 3.71Å
221	S	98.1	Very high	94.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	93.6	-179.8	-179.7	0	0	0	0	111.1	M50 R92 F141 G142 K143	M50-S221 CarbonylContact O-C 3.6Å; M50-S221 WeakPolarHBondContact O-CA 3.46Å; R92-S221 PolarHBondContact NH1-OG 2.92Å; F141-S221 PolarHBondContact O-N 2.92Å; G142-S221 WeakPolarHBondContact CA-O 3.41Å; K143-S221 PolarHBondContact N-O 3.1Å; K143-S221 WeakPolarHBondContact O-CB 3.43Å; K143-S221 PolarHBondContact O-OG 2.68Å
222	H	97.9	Very high	94.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.			trans	-60.2	158.9	172.9	-62.1	-76.8	0	0	0	112.4	M50 I220 V290 S293	M50-H222 PolarHBondContact O-N 2.89Å; I220-H222 WeakPolarHBondContact CG2-NE2 3.3Å; H222-V290 HydrophobicContact CB-CG2 4.03Å; H222-S293 PolarHBondContact CE1-OG 3.13Å; H222-S293 PolarHBondContact NE2-OG 3Å
223	A	95.8	Very high	94.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.			trans	-92.7	-10.2	169.1	0	0	0	0	0	112.7	F192 H226	F192-A223 HydrophobicContact CD1-CB 3.67Å; F192-A223 HydrophobicContact CE1-CB 3.64Å; A223-H226 VanDerWaalsContact O-CB 3.29Å; A223-H226 WeakPolarHBondContact O-CB 3.01Å; A223-H226 PolarHBondContact O-N 2.88Å
224	A	96.1	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	146.6	178.2	0	0	0	0	0	111.8	T51 D52 F169 V290	T51-A224 WeakPolarHBondContact CB-O 3.3Å; D52-A224 PolarHBondContact N-O 3.09Å; D52-A224 CarbonylContact O-C 3.57Å; F169-A224 HydrophobicContact CE1-CB 3.87Å; F169-A224 HydrophobicContact CZ-CB 3.79Å; A224-V290 HydrophobicContact CB-CG2 3.77Å
225	P	95.9	Very high	95.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.1	38.3	-6.7	35.2	-31.7	0	0	0	115	D52 Q54 R283 T286 L287	D52-P225 CarbonylContact O-C 3.39Å; D52-P225 WeakPolarHBondContact O-CD 3.47Å; Q54-P225 HydrophobicContact CB-CG 4.03Å; Q54-P225 HydrophobicContact CG-CG 4.34Å; P225-R283 HydrophobicContact CB-CB 3.95Å; P225-R283 HydrophobicContact CB-CG 4.12Å; P225-R283 PolarHBondContact O-NH1 2.87Å; P225-T286 WeakPolarHBondContact CA-OG1 3.22Å; P225-T286 WeakPolarHBondContact CB-OG1 3.42Å; P225-L287 HydrophobicContact CB-CD2 4.14Å; P225-L287 HydrophobicContact CB-CG 4.11Å; P225-L287 HydrophobicContact CG-CD1 4.38Å; P225-L287 HydrophobicContact CG-CD2 3.91Å; P225-L287 HydrophobicContact CG-CG 4.2Å
226	H	94.1	Very high	95	Very high	34 Å²	34	12.6 Å²	12.6	16%	0.157	7%	0.072	C	C	.	.	S	Bend	trans	-75.5	137.8	176.4	-174.2	-55.7	0	0	0	112.1	D52 D53 A223 K331	D52-H226 HydrophobicContact CB-CB 4Å; D52-H226 PolarHBondContact O-N 2.86Å; D52-H226 WeakPolarHBondContact OD2-CB 3.45Å; D52-H226 IonicContact OD2-CD2 3.48Å; D52-H226 PolarHBondContact OD2-CD2 3.16Å; D52-H226 IonicContact OD2-CG 2.99Å; D53-H226 HydrophobicContact CB-CB 4.17Å; D53-H226 VanDerWaalsContact CG-CD2 3.42Å; D53-H226 IonicContact OD1-CD2 3.86Å; D53-H226 PolarHBondContact OD1-CD2 2.92Å; D53-H226 IonicContact OD1-CG 3.88Å; D53-H226 IonicContact OD2-CD2 2.69Å; D53-H226 PolarHBondContact OD2-CD2 2.91Å; D53-H226 IonicContact OD2-CG 3.47Å; A223-H226 VanDerWaalsContact O-CB 3.29Å; A223-H226 WeakPolarHBondContact O-CB 3.01Å; A223-H226 PolarHBondContact O-N 2.88Å; H226-K331 PolarHBondContact CD2-NZ 3.46Å; H226-K331 PolarHBondContact NE2-NZ 2.72Å
227	G	87.1	Confident	94.7	Very high	12 Å²	12	21 Å²	21	12%	0.124	11%	0.111	C	C	.	.	S	Bend	trans	-66.7	153.9	-179	0	0	0	0	0	116.4	E229	G227-E229 WeakPolarHBondContact CA-OE1 3.33Å
228	P	90.7	Very high	94.5	Very high	28 Å²	28	24.9 Å²	24.9	18%	0.182	13%	0.129	C	C	.	.	S	Bend	cis	-69.7	131.3	1.3	29.9	-35.3	0	0	0	111.6	F169 D230 H751	F169-P228 WeakPolarHBondContact CD2-O 3.21Å; F169-P228 WeakPolarHBondContact CE2-O 3.44Å; P228-D230 PolarHBondContact O-N 3.5Å; P228-H751 WeakPolarHBondContact CB-O 3.22Å
229	E	92.6	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.			trans	-83.7	61.6	-166	-54.6	81	-177.2	0	0	110.8	G227 L279 K282 R283 T286 K329 W752	G227-E229 WeakPolarHBondContact CA-OE1 3.33Å; E229-L279 HydrophobicContact CG-CD1 4.06Å; E229-L279 VanDerWaalsContact OE1-CD1 3.31Å; E229-L279 WeakPolarHBondContact OE1-CD1 3.14Å; E229-K282 HydrophobicContact CB-CB 3.8Å; E229-R283 HydrophobicContact CG-CG 3.88Å; E229-T286 HydrophobicContact CB-CG2 4.43Å; E229-K329 IonicContact OE1-NZ 3.56Å; E229-K329 PolarHBondContact OE1-NZ 3.21Å; E229-K329 IonicContact OE2-NZ 3.46Å; E229-W752 PolarHBondContact OE2-NE1 3.44Å
230	D	93.1	Very high	93.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.164	C	C	.	.			trans	-87.7	102.5	-176.4	-81	-47.9	0	0	0	111.7	F169 Y170 P228 W752 Q753 T754	F169-D230 HydrophobicContact CB-CB 4.06Å; F169-D230 WeakPolarHBondContact CD1-O 3.32Å; F169-D230 HydrophobicContact CD2-CB 4.12Å; F169-D230 HydrophobicContact CG-CB 4.29Å; F169-D230 WeakPolarHBondContact CG-O 3.4Å; Y170-D230 HydrophobicContact CD2-CB 3.99Å; Y170-D230 HydrophobicContact CE2-CB 4.02Å; P228-D230 PolarHBondContact O-N 3.5Å; D230-W752 WeakPolarHBondContact OD1-CB 3Å; D230-Q753 VanDerWaalsContact CG-N 3.31Å; D230-Q753 PolarHBondContact OD1-N 2.81Å; D230-Q753 PolarHBondContact OD2-N 2.03Å; D230-Q753 VanDerWaalsContact OD2-N 3.15Å; D230-T754 WeakPolarHBondContact CA-OG1 3.42Å; D230-T754 HydrophobicContact CB-CG2 4.3Å; D230-T754 PolarHBondContact OD1-N 3Å; D230-T754 PolarHBondContact OD1-OG1 3.33Å
231	S	94	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.			trans	-71.7	166.7	178.7	69.4	0	0	0	0	112.7	T754	S231-T754 PolarHBondContact N-OG1 2.92Å; S231-T754 WeakPolarHBondContact O-CG2 3.36Å
232	A	94.4	Very high	92.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.			trans	-61.4	146.5	159.8	0	0	0	0	0	110	Y187 Y191 Q234 Y235	Y187-A232 HydrophobicContact CD2-CB 4.3Å; Y187-A232 HydrophobicContact CE2-CB 3.5Å; Y191-A232 HydrophobicContact CD1-CB 4.37Å; Y191-A232 HydrophobicContact CE1-CB 3.8Å; Y191-A232 PolarHBondContact OH-N 2.87Å; A232-Q234 VanDerWaalsContact C-N 3.31Å; A232-Q234 PolarHBondContact O-N 2.98Å; A232-Y235 HydrophobicContact CB-CD2 3.81Å; A232-Y235 HydrophobicContact CB-CE2 4.05Å; A232-Y235 PolarHBondContact O-N 3.34Å
233	P	93.3	Very high	92.6	Very high	67 Å²	67	42.1 Å²	42.1	44%	0.435	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.2	-38.5	-174.4	-27.3	35.9	0	0	0	114.1	Y187 Y235 A236	Y187-P233 HydrophobicContact CD1-CG 4.18Å; Y187-P233 HydrophobicContact CD2-CG 4.1Å; Y187-P233 VanDerWaalsContact CG-CD 3.43Å; Y187-P233 HydrophobicContact CG-CG 3.78Å; P233-Y235 PolarHBondContact O-N 2.83Å; P233-Y235 VanDerWaalsContact O-N 3.11Å; P233-A236 VanDerWaalsContact O-CB 3.26Å; P233-A236 WeakPolarHBondContact O-CB 3.3Å; P233-A236 PolarHBondContact O-N 3Å; P233-A236 VanDerWaalsContact O-N 3.1Å
234	Q	94	Very high	92.4	Very high	80 Å²	80	45.5 Å²	45.5	37%	0.374	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64	-15.9	179.3	70	-82.3	12.2	0	0	114.2	Y187 A232 H238	Y187-Q234 PolarHBondContact OH-NE2 2.98Å; Y187-Q234 PolarHBondContact OH-OE1 3.42Å; A232-Q234 VanDerWaalsContact C-N 3.31Å; A232-Q234 PolarHBondContact O-N 2.98Å; Q234-H238 PolarHBondContact O-CE1 2.98Å; Q234-H238 PolarHBondContact O-ND1 3.42Å
235	Y	95.1	Very high	92.3	Very high	24 Å²	24	45.5 Å²	45.5	9%	0.094	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-102.1	-5.3	177.4	-53.8	-44.5	0	0	0	113.5	A232 P233 E237 H238 Q285 L288 E292	A232-Y235 HydrophobicContact CB-CD2 3.81Å; A232-Y235 HydrophobicContact CB-CE2 4.05Å; A232-Y235 PolarHBondContact O-N 3.34Å; P233-Y235 PolarHBondContact O-N 2.83Å; P233-Y235 VanDerWaalsContact O-N 3.11Å; Y235-E237 PolarHBondContact O-N 3.45Å; Y235-E237 VanDerWaalsContact O-N 3.07Å; Y235-H238 WeakPolarHBondContact O-CB 3.19Å; Y235-H238 PolarHBondContact O-N 3.01Å; Y235-Q285 VanDerWaalsContact O-CD 3.23Å; Y235-Q285 WeakPolarHBondContact O-CG 3.35Å; Y235-Q285 PolarHBondContact O-NE2 3.11Å; Y235-L288 HydrophobicContact CD1-CB 3.91Å; Y235-L288 HydrophobicContact CD1-CD1 3.5Å; Y235-L288 VanDerWaalsContact CD1-CD1 3.5Å; Y235-L288 HydrophobicContact CD1-CG 4.36Å; Y235-L288 HydrophobicContact CD2-CB 3.63Å; Y235-L288 HydrophobicContact CD2-CD1 4.49Å; Y235-L288 HydrophobicContact CE1-CB 4.03Å; Y235-L288 HydrophobicContact CE1-CD1 4.13Å; Y235-L288 HydrophobicContact CE2-CB 3.77Å; Y235-L288 HydrophobicContact CG-CB 3.75Å; Y235-L288 HydrophobicContact CG-CD1 3.75Å; Y235-L288 HydrophobicContact CG-CG 4.4Å; Y235-E292 VanDerWaalsContact OH-CG 3.24Å; Y235-E292 WeakPolarHBondContact OH-CG 3.32Å; Y235-E292 PolarHBondContact OH-OE1 3.4Å
236	A	91.6	Very high	92.2	Very high	13 Å²	13	49.6 Å²	49.6	11%	0.107	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.6	-173.1	0	0	0	0	0	114.5	P233 Q285 A755 P756	P233-A236 VanDerWaalsContact O-CB 3.26Å; P233-A236 WeakPolarHBondContact O-CB 3.3Å; P233-A236 PolarHBondContact O-N 3Å; P233-A236 VanDerWaalsContact O-N 3.1Å; A236-Q285 VanDerWaalsContact C-NE2 3.33Å; A236-Q285 PolarHBondContact O-NE2 2.97Å; A236-A755 WeakPolarHBondContact CB-O 3.38Å; A236-P756 WeakPolarHBondContact O-CD 3.47Å
237	E	91.8	Very high	92.3	Very high	178 Å²	178	48.9 Å²	48.9	83%	0.832	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-3.1	-179.4	-58.8	-171.8	161.1	0	0	113.8	Y235	Y235-E237 PolarHBondContact O-N 3.45Å; Y235-E237 VanDerWaalsContact O-N 3.07Å
238	H	93.1	Very high	92.7	Very high	81 Å²	81	51.8 Å²	51.8	38%	0.375	28%	0.281	S	S	.	.	S	Bend	trans	-72.4	155.9	-176.6	-71.6	47.2	0	0	0	112.3	Q234 Y235 R281 Q285 L288	Q234-H238 PolarHBondContact O-CE1 2.98Å; Q234-H238 PolarHBondContact O-ND1 3.42Å; Y235-H238 WeakPolarHBondContact O-CB 3.19Å; Y235-H238 PolarHBondContact O-N 3.01Å; H238-R281 WeakPolarHBondContact O-CG 3.47Å; H238-Q285 HydrophobicContact CB-CG 4.37Å; H238-Q285 PolarHBondContact O-NE2 2.9Å; H238-L288 HydrophobicContact CB-CD1 4.3Å
239	F	92.9	Very high	92.9	Very high	59 Å²	59	50.6 Å²	50.6	26%	0.259	27%	0.273	S	S	.	.			trans	58.3	44.4	174.3	-47.4	-56.7	0	0	0	116.4	V63 N241 A242 R281 L284 Q285 L288	V63-F239 HydrophobicContact CB-CE1 4.18Å; V63-F239 HydrophobicContact CB-CE2 4Å; V63-F239 HydrophobicContact CB-CZ 3.56Å; V63-F239 HydrophobicContact CG1-CD1 4.12Å; V63-F239 HydrophobicContact CG1-CD2 4.35Å; V63-F239 HydrophobicContact CG1-CE1 3.55Å; V63-F239 HydrophobicContact CG1-CE2 3.79Å; V63-F239 HydrophobicContact CG1-CZ 3.37Å; F239-N241 PolarHBondContact O-N 3.34Å; F239-A242 HydrophobicContact CB-CB 3.93Å; F239-A242 PolarHBondContact O-N 3.11Å; F239-R281 HydrophobicContact CB-CG 4.27Å; F239-R281 VanDerWaalsContact O-CG 3.32Å; F239-R281 WeakPolarHBondContact O-CG 3.05Å; F239-R281 PolarHBondContact O-NE 3.3Å; F239-L284 HydrophobicContact CB-CD1 4.47Å; F239-L284 HydrophobicContact CD2-CB 3.65Å; F239-L284 HydrophobicContact CD2-CD1 4.46Å; F239-L284 HydrophobicContact CE2-CB 4.02Å; F239-L284 HydrophobicContact CG-CB 4.36Å; F239-L284 HydrophobicContact CG-CD1 4.38Å; F239-Q285 HydrophobicContact CD2-CG 4.27Å; F239-L288 HydrophobicContact CE2-CD1 3.61Å; F239-L288 HydrophobicContact CE2-CD2 4.35Å; F239-L288 HydrophobicContact CE2-CG 3.96Å; F239-L288 HydrophobicContact CZ-CD1 3.91Å; F239-L288 HydrophobicContact CZ-CD2 4.14Å; F239-L288 HydrophobicContact CZ-CG 4.24Å
240	P	89.1	Confident	93.1	Very high	75 Å²	75	51.8 Å²	51.8	49%	0.487	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.5	178.7	22.8	-33.4	0	0	0	112.5	R281	P240-R281 PolarHBondContact O-NE 3.11Å; P240-R281 PolarHBondContact O-NH2 2.78Å
241	N	88.4	Confident	93.3	Very high	149 Å²	149	53.6 Å²	53.6	80%	0.797	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	27.4	-173.1	-57.6	-11.1	0	0	0	113.5	F239 S243	F239-N241 PolarHBondContact O-N 3.34Å; N241-S243 PolarHBondContact O-N 2.81Å
242	A	90.8	Very high	93.3	Very high	11 Å²	11	58.4 Å²	58.4	9%	0.091	31%	0.307	C	S	.	.			trans	-72.5	111.7	-179.6	0	0	0	0	0	113	F239 H280 L284	F239-A242 HydrophobicContact CB-CB 3.93Å; F239-A242 PolarHBondContact O-N 3.11Å; A242-H280 PolarHBondContact O-CD2 3.02Å; A242-L284 HydrophobicContact CB-CD1 3.73Å
243	S	91.4	Very high	93.2	Very high	69 Å²	69	59.5 Å²	59.5	48%	0.483	32%	0.315	S	S	.	.			trans	-117.5	7.5	-177.7	54.8	0	0	0	0	114	N241 H245 I246	N241-S243 PolarHBondContact O-N 2.81Å; S243-H245 PolarHBondContact O-N 2.95Å; S243-H245 VanDerWaalsContact O-N 3.09Å; S243-I246 VanDerWaalsContact O-CB 3.31Å; S243-I246 WeakPolarHBondContact O-CB 3.29Å; S243-I246 WeakPolarHBondContact O-CG1 3.48Å; S243-I246 PolarHBondContact O-N 2.94Å
244	Q	91.3	Very high	93	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.6	-173.2	-65.6	81.1	-2.1	0	0	114	L58 I246 H280	L58-Q244 WeakPolarHBondContact O-CB 3.4Å; Q244-I246 PolarHBondContact O-N 3.4Å; Q244-H280 PolarHBondContact OE1-NE2 2.75Å
245	H	93.4	Very high	92.9	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.2	175.8	74.1	-74.5	0	0	0	114.5	L58 S243 T247 Y250 N277 H280 I322 Q324	L58-H245 HydrophobicContact CB-CB 3.99Å; L58-H245 HydrophobicContact CD1-CB 4.46Å; L58-H245 HydrophobicContact CD2-CB 4.24Å; L58-H245 HydrophobicContact CG-CB 4.47Å; S243-H245 PolarHBondContact O-N 2.95Å; S243-H245 VanDerWaalsContact O-N 3.09Å; H245-T247 VanDerWaalsContact C-N 3.28Å; H245-T247 PolarHBondContact O-N 3.03Å; H245-Y250 AromaticContact CD2-CD2 3.9Å; H245-Y250 AromaticContact CD2-CE2 3.55Å; H245-Y250 AromaticContact NE2-CE2 3.56Å; H245-N277 PolarHBondContact CE1-OD1 3.44Å; H245-N277 VanDerWaalsContact CE1-OD1 3.25Å; H245-H280 HydrophobicContact CB-CB 4.44Å; H245-H280 AromaticContact CG-CD2 3.94Å; H245-H280 AromaticContact CG-CG 3.69Å; H245-H280 WeakPolarHBondContact ND1-CB 3.15Å; H245-H280 AromaticContact ND1-CD2 3.17Å; H245-H280 PolarHBondContact ND1-CD2 2.96Å; H245-H280 AromaticContact ND1-CG 3.26Å; H245-H280 VanDerWaalsContact ND1-CG 3.26Å; H245-H280 AromaticContact ND1-NE2 3.91Å; H245-I322 PolarHBondContact CD2-O 3.37Å; H245-Q324 PolarHBondContact O-NE2 2.76Å
246	I	95.1	Very high	92.6	Very high	85 Å²	85	60.5 Å²	60.5	44%	0.436	32%	0.323	S	S	.	.			trans	-85.3	72.3	178.9	-53.7	-178.8	0	0	0	109.1	S243 Q244 Y250	S243-I246 VanDerWaalsContact O-CB 3.31Å; S243-I246 WeakPolarHBondContact O-CB 3.29Å; S243-I246 WeakPolarHBondContact O-CG1 3.48Å; S243-I246 PolarHBondContact O-N 2.94Å; Q244-I246 PolarHBondContact O-N 3.4Å; I246-Y250 HydrophobicContact CB-CD1 4.45Å; I246-Y250 HydrophobicContact CB-CG 4.41Å; I246-Y250 HydrophobicContact CG1-CD1 4.42Å; I246-Y250 HydrophobicContact CG1-CD2 4.46Å; I246-Y250 HydrophobicContact CG1-CE1 4.3Å; I246-Y250 HydrophobicContact CG1-CE2 4.37Å; I246-Y250 HydrophobicContact CG1-CG 4.47Å; I246-Y250 HydrophobicContact CG2-CD1 3.79Å; I246-Y250 HydrophobicContact CG2-CE1 4.24Å; I246-Y250 HydrophobicContact CG2-CG 4.13Å
247	T	94.9	Very high	92.6	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.117	33%	0.328	C	S	.	.			trans	-77.1	167	173.4	57.6	0	0	0	0	111.6	H245 S249 Y250 Q324 Y806	H245-T247 VanDerWaalsContact C-N 3.28Å; H245-T247 PolarHBondContact O-N 3.03Å; T247-S249 PolarHBondContact O-N 2.71Å; T247-S249 VanDerWaalsContact O-N 3.09Å; T247-S249 PolarHBondContact OG1-OG 3.04Å; T247-Y250 WeakPolarHBondContact O-CB 3.5Å; T247-Y250 PolarHBondContact O-N 3.31Å; T247-Y250 PolarHBondContact OG1-N 2.85Å; T247-Q324 PolarHBondContact OG1-NE2 3.35Å; T247-Y806 HydrophobicContact CG2-CD1 4.45Å; T247-Y806 HydrophobicContact CG2-CE1 4.08Å
248	P	96.2	Very high	92.6	Very high	73 Å²	73	53.3 Å²	53.3	47%	0.474	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20	169.9	-29.2	39.1	0	0	0	115	Y806 L808	P248-Y806 HydrophobicContact CB-CD2 3.9Å; P248-Y806 HydrophobicContact CB-CE2 4.31Å; P248-Y806 HydrophobicContact CB-CG 4.26Å; P248-Y806 HydrophobicContact CG-CD2 3.65Å; P248-Y806 HydrophobicContact CG-CE2 3.53Å; P248-Y806 HydrophobicContact CG-CG 4.27Å; P248-L808 HydrophobicContact CB-CD1 4.25Å
249	S	95.4	Very high	92.5	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.9	171.3	48.3	0	0	0	0	114.1	T247 N251 Y252 Q324 F325	T247-S249 PolarHBondContact O-N 2.71Å; T247-S249 VanDerWaalsContact O-N 3.09Å; T247-S249 PolarHBondContact OG1-OG 3.04Å; S249-N251 PolarHBondContact O-N 3Å; S249-Y252 WeakPolarHBondContact O-CB 3.05Å; S249-Y252 PolarHBondContact O-N 2.67Å; S249-Q324 CarbonylContact O-C 3.57Å; S249-Q324 WeakPolarHBondContact O-CA 3.23Å; S249-F325 PolarHBondContact O-N 3.19Å
250	Y	96.6	Very high	92.3	Very high	25 Å²	25	49.3 Å²	49.3	10%	0.098	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-64.9	128.2	176.3	178.1	-93.3	0	0	0	111.1	H245 I246 T247 Y252 M268 M273 T276 I322	H245-Y250 AromaticContact CD2-CD2 3.9Å; H245-Y250 AromaticContact CD2-CE2 3.55Å; H245-Y250 AromaticContact NE2-CE2 3.56Å; I246-Y250 HydrophobicContact CB-CD1 4.45Å; I246-Y250 HydrophobicContact CB-CG 4.41Å; I246-Y250 HydrophobicContact CG1-CD1 4.42Å; I246-Y250 HydrophobicContact CG1-CD2 4.46Å; I246-Y250 HydrophobicContact CG1-CE1 4.3Å; I246-Y250 HydrophobicContact CG1-CE2 4.37Å; I246-Y250 HydrophobicContact CG1-CG 4.47Å; I246-Y250 HydrophobicContact CG2-CD1 3.79Å; I246-Y250 HydrophobicContact CG2-CE1 4.24Å; I246-Y250 HydrophobicContact CG2-CG 4.13Å; T247-Y250 WeakPolarHBondContact O-CB 3.5Å; T247-Y250 PolarHBondContact O-N 3.31Å; T247-Y250 PolarHBondContact OG1-N 2.85Å; Y250-Y252 PolarHBondContact O-N 2.63Å; Y250-M268 HydrophobicContact CD2-CE 4.18Å; Y250-M268 HydrophobicContact CE1-CE 4.02Å; Y250-M268 HydrophobicContact CE2-CE 3.61Å; Y250-M273 HydrophobicContact CE1-CE 4.47Å; Y250-T276 HydrophobicContact CE2-CG2 4.42Å; Y250-T276 PolarHBondContact OH-OG1 3.4Å; Y250-I322 WeakPolarHBondContact CD2-O 3.23Å
251	N	95.8	Very high	92.3	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	16.1	-175	-156.9	17.3	0	0	0	115.3	S249 A253 M268 G323	S249-N251 PolarHBondContact O-N 3Å; N251-A253 PolarHBondContact O-N 2.87Å; N251-M268 HydrophobicContact CB-CE 3.94Å; N251-M268 VanDerWaalsContact OD1-CB 3.29Å; N251-M268 WeakPolarHBondContact OD1-CB 3.3Å; N251-M268 WeakPolarHBondContact OD1-CG 3.03Å; N251-M268 PolarHBondContact OD1-N 2.79Å; N251-G323 PolarHBondContact N-O 2.96Å
252	Y	94.8	Very high	92.4	Very high	101 Å²	101	38.6 Å²	38.6	40%	0.396	21%	0.207	S	C	.	.			trans	-75.6	87.1	177.8	-168.7	-90.2	0	0	0	109.9	S249 Y250 N255 F325 L808	S249-Y252 WeakPolarHBondContact O-CB 3.05Å; S249-Y252 PolarHBondContact O-N 2.67Å; Y250-Y252 PolarHBondContact O-N 2.63Å; Y252-N255 WeakPolarHBondContact CD1-OD1 2.83Å; Y252-N255 WeakPolarHBondContact CE1-OD1 3.35Å; Y252-N255 PolarHBondContact O-ND2 2.91Å; Y252-N255 PolarHBondContact O-OD1 2.74Å; Y252-F325 HydrophobicContact CD1-CD1 4.08Å; Y252-F325 HydrophobicContact CD1-CE1 4.14Å; Y252-F325 VanDerWaalsContact O-CA 3.31Å; Y252-F325 WeakPolarHBondContact O-CA 3.37Å; Y252-L808 HydrophobicContact CD1-CD2 4.42Å; Y252-L808 HydrophobicContact CD2-CD2 4.41Å; Y252-L808 WeakPolarHBondContact CE1-O 3.31Å; Y252-L808 HydrophobicContact CG-CD2 4.25Å
253	A	91.7	Very high	92.3	Very high	22 Å²	22	41 Å²	41	18%	0.182	22%	0.217	C	C	.	.			trans	-152.7	153.7	-173	0	0	0	0	0	112.2	N251	N251-A253 PolarHBondContact O-N 2.87Å
254	P	90.3	Very high	91.9	Very high	74 Å²	74	46 Å²	46	48%	0.481	23%	0.226	S	C	.	.			cis	-84.2	154.6	-2.4	35.1	-34.3	0	0	0	113.2	T265	P254-T265 WeakPolarHBondContact CA-O 3.31Å; P254-T265 WeakPolarHBondContact CB-O 3.36Å
255	N	90.8	Very high	91.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.214	C	C	.	.			trans	-110.8	86.4	-173.3	-58.4	-90.5	0	0	0	111.4	Y252 D257 K258 M262 Q263	Y252-N255 WeakPolarHBondContact CD1-OD1 2.83Å; Y252-N255 WeakPolarHBondContact CE1-OD1 3.35Å; Y252-N255 PolarHBondContact O-ND2 2.91Å; Y252-N255 PolarHBondContact O-OD1 2.74Å; N255-D257 PolarHBondContact O-N 3.14Å; N255-K258 HydrophobicContact CB-CB 3.93Å; N255-K258 HydrophobicContact CB-CD 3.83Å; N255-K258 HydrophobicContact CB-CG 3.88Å; N255-K258 PolarHBondContact O-N 3.45Å; N255-K258 WeakPolarHBondContact OD1-CE 3.32Å; N255-M262 HydrophobicContact CB-CB 3.82Å; N255-M262 PolarHBondContact N-O 3.5Å; N255-Q263 WeakPolarHBondContact O-CG 3.31Å
256	M	89	Confident	91.5	Very high	118 Å²	118	44.8 Å²	44.8	58%	0.581	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	179.1	-61.7	-53.4	-51.3	0	0	114.1	Q263	M256-Q263 HydrophobicContact CE-CB 4.26Å; M256-Q263 HydrophobicContact CE-CG 4.41Å; M256-Q263 HydrophobicContact SD-CB 4.17Å
257	D	90.9	Very high	91.3	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.214	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.9	176	68	-58.3	0	0	0	113.2	N255 F795 N810	N255-D257 PolarHBondContact O-N 3.14Å; D257-F795 VanDerWaalsContact O-CZ 3.29Å; D257-F795 WeakPolarHBondContact O-CZ 3.02Å; D257-N810 HydrophobicContact CB-CB 4.09Å; D257-N810 WeakPolarHBondContact O-CB 3.26Å; D257-N810 PolarHBondContact O-ND2 2.76Å; D257-N810 WeakPolarHBondContact OD2-CB 3.39Å; D257-N810 PolarHBondContact OD2-N 3.15Å
258	K	93.1	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-110.9	174.1	-178.2	-59.2	-174.9	-150	-52.1	0	111.2	N255 M262 Q263 F325 Y335 F795 E797 Q807 L808	N255-K258 HydrophobicContact CB-CB 3.93Å; N255-K258 HydrophobicContact CB-CD 3.83Å; N255-K258 HydrophobicContact CB-CG 3.88Å; N255-K258 PolarHBondContact O-N 3.45Å; N255-K258 WeakPolarHBondContact OD1-CE 3.32Å; K258-M262 HydrophobicContact CB-CB 3.82Å; K258-M262 HydrophobicContact CB-CG 4.07Å; K258-Q263 VanDerWaalsContact O-CG 3.28Å; K258-Q263 WeakPolarHBondContact O-CG 3.2Å; K258-Q263 PolarHBondContact O-NE2 2.84Å; K258-F325 HydrophobicContact CD-CD1 4.49Å; K258-F325 HydrophobicContact CD-CE1 4.37Å; K258-F325 HydrophobicContact CD-CZ 4.44Å; K258-Y335 WeakPolarHBondContact CD-OH 3.27Å; K258-F795 WeakPolarHBondContact O-CZ 3.29Å; K258-E797 WeakPolarHBondContact CA-OE1 3.02Å; K258-E797 WeakPolarHBondContact CB-OE1 3.37Å; K258-Q807 PolarHBondContact NZ-O 3.47Å; K258-L808 PolarHBondContact NZ-O 2.86Å
259	H	91.3	Very high	91.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.			trans	-61.4	158.6	-177.7	67.4	-85.6	0	0	0	113.1	I261 M262 Y335 F791 F795 E797	H259-I261 VanDerWaalsContact C-N 3.28Å; H259-I261 PolarHBondContact O-N 2.65Å; H259-M262 VanDerWaalsContact CE1-CE 3.5Å; H259-M262 WeakPolarHBondContact CE1-CE 3.5Å; H259-M262 WeakPolarHBondContact NE2-CE 3.48Å; H259-M262 PolarHBondContact O-N 3.47Å; H259-Y335 AromaticContact CE1-CZ 3.97Å; H259-Y335 PolarHBondContact CE1-OH 3.36Å; H259-Y335 PolarHBondContact ND1-OH 3.33Å; H259-F791 HydrophobicContact CB-CD1 3.69Å; H259-F791 HydrophobicContact CB-CD2 3.96Å; H259-F791 HydrophobicContact CB-CE1 3.46Å; H259-F791 VanDerWaalsContact CB-CE1 3.46Å; H259-F791 HydrophobicContact CB-CE2 3.76Å; H259-F791 HydrophobicContact CB-CG 3.95Å; H259-F791 HydrophobicContact CB-CZ 3.51Å; H259-F791 AromaticContact CD2-CE1 3.48Å; H259-F791 VanDerWaalsContact CD2-CE1 3.48Å; H259-F791 WeakPolarHBondContact CD2-CE1 3.15Å; H259-F791 AromaticContact CE1-CE1 3.94Å; H259-F791 AromaticContact CE1-CZ 3.85Å; H259-F791 AromaticContact CG-CD1 3.96Å; H259-F791 AromaticContact CG-CE1 3.26Å; H259-F791 AromaticContact CG-CZ 3.36Å; H259-F791 AromaticContact ND1-CE1 3.59Å; H259-F791 AromaticContact ND1-CZ 3.27Å; H259-F791 VanDerWaalsContact ND1-CZ 3.27Å; H259-F791 WeakPolarHBondContact ND1-CZ 3.38Å; H259-F791 AromaticContact NE2-CE1 3.91Å; H259-F795 HydrophobicContact CB-CD1 4.14Å; H259-E797 WeakPolarHBondContact CB-OE1 3.49Å; H259-E797 IonicContact CE1-OE1 3.11Å; H259-E797 IonicContact CG-OE1 2.64Å; H259-E797 PolarHBondContact N-OE1 3.12Å; H259-E797 IonicContact ND1-OE1 3.87Å; H259-E797 PolarHBondContact ND1-OE1 2.93Å; H259-E797 IonicContact ND1-OE2 3.71Å
260	W	88.1	Confident	91	Very high	55 Å²	55	52.2 Å²	52.2	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-45.1	-39.4	-165.3	72	-79.8	0	0	0	116.2	M262 Q263 Y264 L742 N772	W260-M262 VanDerWaalsContact C-N 3.32Å; W260-M262 PolarHBondContact O-N 2.74Å; W260-Q263 WeakPolarHBondContact O-CB 3.34Å; W260-Q263 PolarHBondContact O-N 3.02Å; W260-Q263 VanDerWaalsContact O-N 3.16Å; W260-Y264 AromaticContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CE2 4.19Å; W260-Y264 VanDerWaalsContact O-CD2 3.25Å; W260-Y264 WeakPolarHBondContact O-CD2 3.1Å; W260-Y264 PolarHBondContact O-N 2.86Å; W260-L742 HydrophobicContact CH2-CD2 3.76Å; W260-L742 HydrophobicContact CH2-CG 4.41Å; W260-L742 HydrophobicContact CZ3-CD2 3.76Å; W260-L742 HydrophobicContact CZ3-CG 4.17Å; W260-N772 HydrophobicContact CZ2-CB 4.44Å; W260-N772 PolarHBondContact NE1-OD1 3.09Å
261	I	89.2	Confident	90.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-47.5	177.6	-60.5	-172.7	0	0	0	110.5	H259 Q263 Y264 T265 L327 M333 L742 N772	H259-I261 VanDerWaalsContact C-N 3.28Å; H259-I261 PolarHBondContact O-N 2.65Å; I261-Q263 PolarHBondContact O-N 2.04Å; I261-Y264 PolarHBondContact O-N 3.49Å; I261-Y264 VanDerWaalsContact O-N 3.08Å; I261-T265 PolarHBondContact O-N 2.85Å; I261-T265 PolarHBondContact O-OG1 2.85Å; I261-T265 VanDerWaalsContact O-OG1 3.13Å; I261-L327 HydrophobicContact CG2-CD2 4.25Å; I261-M333 HydrophobicContact CD1-CE 4.19Å; I261-M333 HydrophobicContact CG2-CE 4.3Å; I261-L742 HydrophobicContact CD1-CD2 4.3Å; I261-L742 HydrophobicContact CG1-CD2 4.06Å; I261-L742 HydrophobicContact CG2-CD2 4.18Å; I261-N772 HydrophobicContact CD1-CB 3.95Å
262	M	90.1	Very high	90.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72	-15.1	-177.5	-47.2	-56.7	145.8	0	0	113.2	N255 K258 H259 W260 F325 L327 M333 Y335	N255-M262 HydrophobicContact CB-CB 3.82Å; N255-M262 PolarHBondContact N-O 3.5Å; K258-M262 HydrophobicContact CB-CB 3.82Å; K258-M262 HydrophobicContact CB-CG 4.07Å; H259-M262 VanDerWaalsContact CE1-CE 3.5Å; H259-M262 WeakPolarHBondContact CE1-CE 3.5Å; H259-M262 WeakPolarHBondContact NE2-CE 3.48Å; H259-M262 PolarHBondContact O-N 3.47Å; W260-M262 VanDerWaalsContact C-N 3.32Å; W260-M262 PolarHBondContact O-N 2.74Å; M262-F325 HydrophobicContact SD-CB 3.97Å; M262-L327 HydrophobicContact CE-CD1 3.68Å; M262-L327 HydrophobicContact CE-CD2 3.98Å; M262-L327 HydrophobicContact CE-CG 4.32Å; M262-L327 HydrophobicContact SD-CD1 3.88Å; M262-L327 HydrophobicContact SD-CD2 3.96Å; M262-L327 HydrophobicContact SD-CG 4.1Å; M262-M333 HydrophobicContact CE-CE 3.7Å; M262-M333 HydrophobicContact CE-CG 3.91Å; M262-M333 HydrophobicContact CE-SD 3.46Å; M262-M333 WeakPolarHBondContact CE-SD 3.39Å; M262-Y335 HydrophobicContact CE-CE2 4.37Å
263	Q	88.6	Confident	90.7	Very high	61 Å²	61	50.8 Å²	50.8	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-79.9	-31.6	171.2	-52.7	179.1	6.5	0	0	111.7	N255 M256 K258 W260 I261	N255-Q263 WeakPolarHBondContact O-CG 3.31Å; M256-Q263 HydrophobicContact CE-CB 4.26Å; M256-Q263 HydrophobicContact CE-CG 4.41Å; M256-Q263 HydrophobicContact SD-CB 4.17Å; K258-Q263 VanDerWaalsContact O-CG 3.28Å; K258-Q263 WeakPolarHBondContact O-CG 3.2Å; K258-Q263 PolarHBondContact O-NE2 2.84Å; W260-Q263 WeakPolarHBondContact O-CB 3.34Å; W260-Q263 PolarHBondContact O-N 3.02Å; W260-Q263 VanDerWaalsContact O-N 3.16Å; I261-Q263 PolarHBondContact O-N 2.04Å
264	Y	84.1	Confident	90.8	Very high	173 Å²	173	54.5 Å²	54.5	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-88.1	-26.5	175.6	-75.5	-72.4	0	0	0	113.4	W260 I261 G266	W260-Y264 AromaticContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CE2 4.19Å; W260-Y264 VanDerWaalsContact O-CD2 3.25Å; W260-Y264 WeakPolarHBondContact O-CD2 3.1Å; W260-Y264 PolarHBondContact O-N 2.86Å; I261-Y264 PolarHBondContact O-N 3.49Å; I261-Y264 VanDerWaalsContact O-N 3.08Å; Y264-G266 PolarHBondContact O-N 2.87Å; Y264-G266 VanDerWaalsContact O-N 3.16Å
265	T	86.8	Confident	91	Very high	14 Å²	14	51 Å²	51	9%	0.086	26%	0.259	C	S	.	.			trans	-69.8	106.6	172.9	-61.4	0	0	0	0	110	P254 I261 F325 L327	P254-T265 WeakPolarHBondContact CA-O 3.31Å; P254-T265 WeakPolarHBondContact CB-O 3.36Å; I261-T265 PolarHBondContact O-N 2.85Å; I261-T265 PolarHBondContact O-OG1 2.85Å; I261-T265 VanDerWaalsContact O-OG1 3.13Å; T265-F325 VanDerWaalsContact CG2-O 3.23Å; T265-F325 WeakPolarHBondContact CG2-O 3.16Å; T265-L327 HydrophobicContact CG2-CD2 4.28Å
266	G	87.8	Confident	91.2	Very high	33 Å²	33	51 Å²	51	34%	0.34	26%	0.259	S	S	.	.			trans	-84.5	-178.8	169.5	0	0	0	0	0	113.1	Y264	Y264-G266 PolarHBondContact O-N 2.87Å; Y264-G266 VanDerWaalsContact O-N 3.16Å
267	P	92.3	Very high	91.4	Very high	87 Å²	87	47.4 Å²	47.4	57%	0.565	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-55.3	143.8	176.1	-23.6	33	0	0	0	112.8
268	M	93.9	Very high	91.6	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.059	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-64.7	136.5	173.7	-68.1	-154.3	-69.7	0	0	111.3	Y250 N251 H272 M273 T276 V328	Y250-M268 HydrophobicContact CD2-CE 4.18Å; Y250-M268 HydrophobicContact CE1-CE 4.02Å; Y250-M268 HydrophobicContact CE2-CE 3.61Å; N251-M268 HydrophobicContact CB-CE 3.94Å; N251-M268 VanDerWaalsContact OD1-CB 3.29Å; N251-M268 WeakPolarHBondContact OD1-CB 3.3Å; N251-M268 WeakPolarHBondContact OD1-CG 3.03Å; N251-M268 PolarHBondContact OD1-N 2.79Å; M268-H272 HydrophobicContact CB-CB 3.95Å; M268-H272 HydrophobicContact CG-CB 4.29Å; M268-H272 HydrophobicContact SD-CB 4.11Å; M268-M273 HydrophobicContact CB-CG 4.04Å; M268-M273 HydrophobicContact CE-CG 4.13Å; M268-T276 HydrophobicContact CE-CG2 4.22Å; M268-T276 HydrophobicContact SD-CG2 4.06Å; M268-V328 HydrophobicContact SD-CG2 4.2Å
269	K	92.9	Very high	91.6	Very high	133 Å²	133	46.3 Å²	46.3	58%	0.578	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-71.9	156.8	169.9	-61.9	179.8	179	-178.8	0	109.6	I271 H272 M273	K269-I271 HydrophobicContact CB-CG2 3.98Å; K269-I271 PolarHBondContact O-N 2.68Å; K269-H272 WeakPolarHBondContact O-CA 3.31Å; K269-H272 VanDerWaalsContact O-CB 3.31Å; K269-H272 WeakPolarHBondContact O-CB 3.31Å; K269-H272 PolarHBondContact O-N 2.89Å; K269-M273 PolarHBondContact O-N 2.9Å; K269-M273 VanDerWaalsContact O-N 3.16Å
270	P	93.9	Very high	91.8	Very high	105 Å²	105	46.3 Å²	46.3	68%	0.682	24%	0.236	S	C	*	.	H	α-helix	trans	-51.7	-41.6	176	-29.1	36	0	0	0	113.6	H272 M273 E274	P270-H272 VanDerWaalsContact C-N 3.27Å; P270-H272 PolarHBondContact O-N 3.08Å; P270-M273 WeakPolarHBondContact O-CB 3.41Å; P270-M273 PolarHBondContact O-N 3.31Å; P270-E274 PolarHBondContact O-N 3.32Å
271	I	92.2	Very high	92.1	Very high	46 Å²	46	46.7 Å²	46.7	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-30.2	174.7	-171.5	170.1	0	0	0	113.8	K269 F275 W758 L760 F763	K269-I271 HydrophobicContact CB-CG2 3.98Å; K269-I271 PolarHBondContact O-N 2.68Å; I271-F275 VanDerWaalsContact O-CB 3.31Å; I271-F275 WeakPolarHBondContact O-CB 3.47Å; I271-F275 PolarHBondContact O-N 3.39Å; I271-W758 HydrophobicContact CD1-CZ2 4.34Å; I271-W758 HydrophobicContact CG1-CH2 4.28Å; I271-W758 HydrophobicContact CG1-CZ2 3.75Å; I271-W758 WeakPolarHBondContact O-CH2 3.46Å; I271-L760 VanDerWaalsContact CD1-O 3.25Å; I271-L760 WeakPolarHBondContact CD1-O 3.32Å; I271-F763 HydrophobicContact CD1-CB 4.15Å; I271-F763 HydrophobicContact CD1-CD1 4.07Å; I271-F763 HydrophobicContact CD1-CG 4.39Å; I271-F763 HydrophobicContact CG1-CD1 4.09Å
272	H	93.8	Very high	92.3	Very high	25 Å²	25	46.7 Å²	46.7	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-72.9	-37.1	172.6	-58	176.1	0	0	0	111	M268 K269 P270 F275 T276 V328 F763	M268-H272 HydrophobicContact CB-CB 3.95Å; M268-H272 HydrophobicContact CG-CB 4.29Å; M268-H272 HydrophobicContact SD-CB 4.11Å; K269-H272 WeakPolarHBondContact O-CA 3.31Å; K269-H272 VanDerWaalsContact O-CB 3.31Å; K269-H272 WeakPolarHBondContact O-CB 3.31Å; K269-H272 PolarHBondContact O-N 2.89Å; P270-H272 VanDerWaalsContact C-N 3.27Å; P270-H272 PolarHBondContact O-N 3.08Å; H272-F275 WeakPolarHBondContact O-CB 3.4Å; H272-F275 PolarHBondContact O-N 3.05Å; H272-T276 WeakPolarHBondContact O-CG2 3.45Å; H272-T276 PolarHBondContact O-N 3.48Å; H272-T276 PolarHBondContact O-OG1 3.17Å; H272-T276 VanDerWaalsContact O-OG1 3.12Å; H272-V328 HydrophobicContact CB-CG1 4.04Å; H272-V328 HydrophobicContact CB-CG2 3.9Å; H272-V328 WeakPolarHBondContact ND1-CG2 3.46Å; H272-F763 AromaticContact CD2-CD2 3.48Å; H272-F763 VanDerWaalsContact CD2-CD2 3.48Å; H272-F763 WeakPolarHBondContact CD2-CD2 3.38Å; H272-F763 AromaticContact CD2-CE2 3.68Å; H272-F763 AromaticContact NE2-CD2 3.67Å
273	M	94.8	Very high	92.6	Very high	67 Å²	67	46.8 Å²	46.8	33%	0.33	24%	0.237	S	C	.	.	H	α-helix	trans	-69.4	-39.5	179.3	-66.7	173.1	61.1	0	0	112.3	Y250 M268 K269 P270 F275 T276 N277	Y250-M273 HydrophobicContact CE1-CE 4.47Å; M268-M273 HydrophobicContact CB-CG 4.04Å; M268-M273 HydrophobicContact CE-CG 4.13Å; K269-M273 PolarHBondContact O-N 2.9Å; K269-M273 VanDerWaalsContact O-N 3.16Å; P270-M273 WeakPolarHBondContact O-CB 3.41Å; P270-M273 PolarHBondContact O-N 3.31Å; M273-F275 VanDerWaalsContact C-N 3.29Å; M273-F275 PolarHBondContact O-N 3.03Å; M273-T276 VanDerWaalsContact CA-OG1 3.25Å; M273-T276 WeakPolarHBondContact CA-OG1 3.42Å; M273-T276 PolarHBondContact O-N 3.07Å; M273-T276 PolarHBondContact O-OG1 2.91Å; M273-N277 VanDerWaalsContact O-CG 3.25Å; M273-N277 PolarHBondContact O-N 3.32Å; M273-N277 VanDerWaalsContact O-N 3.13Å; M273-N277 PolarHBondContact O-ND2 3.07Å
274	E	93.8	Very high	92.9	Very high	101 Å²	101	43.9 Å²	43.9	47%	0.472	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-37.3	170.4	-68.7	-54.1	143.8	0	0	111.6	P270 F278 W758 L760	P270-E274 PolarHBondContact O-N 3.32Å; E274-F278 VanDerWaalsContact O-CB 3.28Å; E274-F278 WeakPolarHBondContact O-CB 3.32Å; E274-F278 PolarHBondContact O-N 2.87Å; E274-W758 HydrophobicContact CB-CH2 3.97Å; E274-W758 HydrophobicContact CB-CZ3 4.23Å; E274-L760 HydrophobicContact CB-CD1 3.67Å; E274-L760 HydrophobicContact CG-CD1 3.86Å
275	F	93.6	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69	-39.2	176.8	-179	-90.2	0	0	0	112.8	I271 H272 M273 F278 L279 V328 K329 H747 W752 W758 F763	I271-F275 VanDerWaalsContact O-CB 3.31Å; I271-F275 WeakPolarHBondContact O-CB 3.47Å; I271-F275 PolarHBondContact O-N 3.39Å; H272-F275 WeakPolarHBondContact O-CB 3.4Å; H272-F275 PolarHBondContact O-N 3.05Å; M273-F275 VanDerWaalsContact C-N 3.29Å; M273-F275 PolarHBondContact O-N 3.03Å; F275-F278 PolarHBondContact O-N 3Å; F275-L279 HydrophobicContact CE1-CB 4.47Å; F275-L279 HydrophobicContact CE1-CD2 4.16Å; F275-L279 WeakPolarHBondContact O-CB 3.37Å; F275-L279 PolarHBondContact O-N 2.87Å; F275-V328 HydrophobicContact CD1-CG1 3.77Å; F275-V328 HydrophobicContact CE1-CG1 4.2Å; F275-K329 HydrophobicContact CE1-CD 3.7Å; F275-K329 HydrophobicContact CE1-CG 4.41Å; F275-K329 HydrophobicContact CZ-CD 3.92Å; F275-H747 HydrophobicContact CE2-CB 3.76Å; F275-H747 AromaticContact CE2-CG 3.86Å; F275-H747 HydrophobicContact CZ-CB 4.01Å; F275-H747 AromaticContact CZ-CD2 3.67Å; F275-H747 AromaticContact CZ-CG 3.55Å; F275-H747 AromaticContact CZ-ND1 3.89Å; F275-W752 HydrophobicContact CD2-CH2 4.5Å; F275-W752 AromaticContact CE2-CH2 3.73Å; F275-W752 HydrophobicContact CE2-CH2 3.73Å; F275-W752 HydrophobicContact CZ-CH2 4.31Å; F275-W758 VanDerWaalsContact CA-CZ3 3.5Å; F275-W758 HydrophobicContact CB-CH2 3.59Å; F275-W758 HydrophobicContact CB-CZ2 4.1Å; F275-W758 HydrophobicContact CB-CZ3 3.91Å; F275-W758 HydrophobicContact CD2-CD2 4.17Å; F275-W758 HydrophobicContact CD2-CE3 4.22Å; F275-W758 HydrophobicContact CD2-CH2 4.3Å; F275-W758 HydrophobicContact CD2-CZ2 4.23Å; F275-W758 HydrophobicContact CD2-CZ3 4.31Å; F275-W758 HydrophobicContact CG-CH2 4.47Å; F275-F763 HydrophobicContact CB-CE1 3.95Å; F275-F763 HydrophobicContact CB-CZ 3.8Å; F275-F763 HydrophobicContact CD1-CE1 4.49Å; F275-F763 AromaticContact CD1-CZ 3.75Å; F275-F763 HydrophobicContact CD1-CZ 3.75Å; F275-F763 AromaticContact CD2-CE1 3.41Å; F275-F763 HydrophobicContact CD2-CE1 3.41Å; F275-F763 VanDerWaalsContact CD2-CE1 3.41Å; F275-F763 AromaticContact CD2-CZ 3.47Å; F275-F763 HydrophobicContact CD2-CZ 3.47Å; F275-F763 VanDerWaalsContact CD2-CZ 3.47Å; F275-F763 HydrophobicContact CE1-CZ 4.08Å; F275-F763 AromaticContact CE2-CE1 3.87Å; F275-F763 HydrophobicContact CE2-CE1 3.87Å; F275-F763 AromaticContact CE2-CZ 3.79Å; F275-F763 HydrophobicContact CE2-CZ 3.79Å; F275-F763 AromaticContact CG-CE1 3.73Å; F275-F763 HydrophobicContact CG-CE1 3.73Å; F275-F763 AromaticContact CG-CZ 3.41Å; F275-F763 HydrophobicContact CG-CZ 3.41Å; F275-F763 VanDerWaalsContact CG-CZ 3.41Å; F275-F763 HydrophobicContact CZ-CZ 4.09Å
276	T	94.8	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-44.7	175.5	41.8	0	0	0	0	111.2	Y250 M268 H272 M273 F278 L279 H280 I322 V328	Y250-T276 HydrophobicContact CE2-CG2 4.42Å; Y250-T276 PolarHBondContact OH-OG1 3.4Å; M268-T276 HydrophobicContact CE-CG2 4.22Å; M268-T276 HydrophobicContact SD-CG2 4.06Å; H272-T276 WeakPolarHBondContact O-CG2 3.45Å; H272-T276 PolarHBondContact O-N 3.48Å; H272-T276 PolarHBondContact O-OG1 3.17Å; H272-T276 VanDerWaalsContact O-OG1 3.12Å; M273-T276 VanDerWaalsContact CA-OG1 3.25Å; M273-T276 WeakPolarHBondContact CA-OG1 3.42Å; M273-T276 PolarHBondContact O-N 3.07Å; M273-T276 PolarHBondContact O-OG1 2.91Å; T276-F278 PolarHBondContact O-N 3.07Å; T276-L279 PolarHBondContact O-N 2.81Å; T276-H280 VanDerWaalsContact O-CB 3.28Å; T276-H280 WeakPolarHBondContact O-CB 3.34Å; T276-H280 PolarHBondContact O-N 3.23Å; T276-I322 HydrophobicContact CG2-CG2 3.61Å; T276-V328 HydrophobicContact CG2-CG1 4.32Å; T276-V328 WeakPolarHBondContact CG2-O 3.48Å
277	N	94.4	Very high	94.4	Very high	44 Å²	44	33.4 Å²	33.4	24%	0.235	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-50	172.3	-70.5	-24.3	0	0	0	112.1	H245 M273 R281	H245-N277 PolarHBondContact CE1-OD1 3.44Å; H245-N277 VanDerWaalsContact CE1-OD1 3.25Å; M273-N277 VanDerWaalsContact O-CG 3.25Å; M273-N277 PolarHBondContact O-N 3.32Å; M273-N277 VanDerWaalsContact O-N 3.13Å; M273-N277 PolarHBondContact O-ND2 3.07Å; N277-R281 PolarHBondContact O-N 3.38Å; N277-R281 VanDerWaalsContact O-N 3.16Å
278	F	93.3	Very high	94.7	Very high	17 Å²	17	30.3 Å²	30.3	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-45.2	179	176.1	-87.7	0	0	0	112.6	E274 F275 T276 R281 K282 W752 P756 W758	E274-F278 VanDerWaalsContact O-CB 3.28Å; E274-F278 WeakPolarHBondContact O-CB 3.32Å; E274-F278 PolarHBondContact O-N 2.87Å; F275-F278 PolarHBondContact O-N 3Å; T276-F278 PolarHBondContact O-N 3.07Å; F278-R281 PolarHBondContact O-N 3.09Å; F278-K282 HydrophobicContact CD1-CG 4.37Å; F278-K282 HydrophobicContact CE1-CG 3.96Å; F278-K282 HydrophobicContact CZ-CG 4.22Å; F278-K282 PolarHBondContact O-N 3.27Å; F278-W752 HydrophobicContact CD1-CH2 4.13Å; F278-W752 HydrophobicContact CD1-CZ2 4.27Å; F278-W752 HydrophobicContact CE1-CD2 4.13Å; F278-W752 AromaticContact CE1-CE2 3.97Å; F278-W752 HydrophobicContact CE1-CE3 4.04Å; F278-W752 AromaticContact CE1-CH2 3.63Å; F278-W752 HydrophobicContact CE1-CH2 3.63Å; F278-W752 AromaticContact CE1-CZ2 3.73Å; F278-W752 HydrophobicContact CE1-CZ2 3.73Å; F278-W752 AromaticContact CE1-CZ3 3.81Å; F278-W752 HydrophobicContact CE1-CZ3 3.81Å; F278-W752 HydrophobicContact CZ-CE3 4.44Å; F278-P756 HydrophobicContact CE2-CB 4.11Å; F278-P756 HydrophobicContact CE2-CG 3.9Å; F278-P756 WeakPolarHBondContact CZ-O 3.2Å; F278-W758 HydrophobicContact CB-CE3 4.2Å; F278-W758 HydrophobicContact CB-CZ3 4.16Å; F278-W758 HydrophobicContact CD1-CE3 4.14Å; F278-W758 HydrophobicContact CD2-CE3 4.33Å; F278-W758 HydrophobicContact CE1-CB 4.25Å; F278-W758 AromaticContact CG-CE3 3.98Å; F278-W758 HydrophobicContact CG-CE3 3.98Å; F278-W758 HydrophobicContact CG-CZ3 4.43Å; F278-W758 HydrophobicContact CZ-CB 4.23Å
279	L	93.8	Very high	94.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-44.3	179.9	179.9	72.9	0	0	0	111.9	E229 F275 T276 K282 R283 I322 K329 W752	E229-L279 HydrophobicContact CG-CD1 4.06Å; E229-L279 VanDerWaalsContact OE1-CD1 3.31Å; E229-L279 WeakPolarHBondContact OE1-CD1 3.14Å; F275-L279 HydrophobicContact CE1-CB 4.47Å; F275-L279 HydrophobicContact CE1-CD2 4.16Å; F275-L279 WeakPolarHBondContact O-CB 3.37Å; F275-L279 PolarHBondContact O-N 2.87Å; T276-L279 PolarHBondContact O-N 2.81Å; L279-K282 PolarHBondContact O-N 2.87Å; L279-R283 WeakPolarHBondContact O-CG 3.02Å; L279-R283 PolarHBondContact O-N 2.06Å; L279-I322 HydrophobicContact CD2-CG1 4.29Å; L279-I322 HydrophobicContact CD2-CG2 4.11Å; L279-K329 HydrophobicContact CD1-CD 4.31Å; L279-K329 HydrophobicContact CD2-CB 3.49Å; L279-K329 VanDerWaalsContact CD2-CB 3.49Å; L279-K329 HydrophobicContact CD2-CD 3.73Å; L279-K329 HydrophobicContact CD2-CG 4.24Å; L279-W752 HydrophobicContact CD1-CZ2 4.43Å
280	H	95.3	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.4	-48.8	177.1	-177.7	56.4	0	0	0	110.8	L58 A242 Q244 H245 T276 K282 R283 L284 I322	L58-H280 PolarHBondContact O-CE1 3.06Å; A242-H280 PolarHBondContact O-CD2 3.02Å; Q244-H280 PolarHBondContact OE1-NE2 2.75Å; H245-H280 HydrophobicContact CB-CB 4.44Å; H245-H280 AromaticContact CG-CD2 3.94Å; H245-H280 AromaticContact CG-CG 3.69Å; H245-H280 WeakPolarHBondContact ND1-CB 3.15Å; H245-H280 AromaticContact ND1-CD2 3.17Å; H245-H280 PolarHBondContact ND1-CD2 2.96Å; H245-H280 AromaticContact ND1-CG 3.26Å; H245-H280 VanDerWaalsContact ND1-CG 3.26Å; H245-H280 AromaticContact ND1-NE2 3.91Å; T276-H280 VanDerWaalsContact O-CB 3.28Å; T276-H280 WeakPolarHBondContact O-CB 3.34Å; T276-H280 PolarHBondContact O-N 3.23Å; H280-K282 PolarHBondContact O-N 2.98Å; H280-R283 WeakPolarHBondContact O-CB 3.38Å; H280-R283 PolarHBondContact O-N 3.03Å; H280-L284 WeakPolarHBondContact O-CG 3.24Å; H280-L284 PolarHBondContact O-N 3.36Å; H280-I322 HydrophobicContact CB-CD1 4.08Å
281	R	94.3	Very high	95.3	Very high	63 Å²	63	18.8 Å²	18.8	24%	0.238	9%	0.089	C	C	.	.	H	α-helix	trans	-53.1	-54.4	172.9	-177.2	-173.1	-49.7	145.1	2.4	111.6	H238 F239 P240 N277 F278 R283 L284 Q285	H238-R281 WeakPolarHBondContact O-CG 3.47Å; F239-R281 HydrophobicContact CB-CG 4.27Å; F239-R281 VanDerWaalsContact O-CG 3.32Å; F239-R281 WeakPolarHBondContact O-CG 3.05Å; F239-R281 PolarHBondContact O-NE 3.3Å; P240-R281 PolarHBondContact O-NE 3.11Å; P240-R281 PolarHBondContact O-NH2 2.78Å; N277-R281 PolarHBondContact O-N 3.38Å; N277-R281 VanDerWaalsContact O-N 3.16Å; F278-R281 PolarHBondContact O-N 3.09Å; R281-R283 VanDerWaalsContact C-N 3.31Å; R281-R283 PolarHBondContact O-N 3.27Å; R281-L284 PolarHBondContact O-N 3.1Å; R281-Q285 HydrophobicContact CG-CG 4.44Å; R281-Q285 VanDerWaalsContact O-CG 3.28Å; R281-Q285 WeakPolarHBondContact O-CG 3.12Å; R281-Q285 PolarHBondContact O-N 3.15Å
282	K	94.1	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56	-42.3	179.5	-80	-63.6	-143.8	168.5	0	112.7	E229 F278 L279 H280 Q285 T286 T754 A755 P756	E229-K282 HydrophobicContact CB-CB 3.8Å; F278-K282 HydrophobicContact CD1-CG 4.37Å; F278-K282 HydrophobicContact CE1-CG 3.96Å; F278-K282 HydrophobicContact CZ-CG 4.22Å; F278-K282 PolarHBondContact O-N 3.27Å; L279-K282 PolarHBondContact O-N 2.87Å; H280-K282 PolarHBondContact O-N 2.98Å; K282-Q285 PolarHBondContact O-N 3.35Å; K282-T286 PolarHBondContact O-N 2.98Å; K282-T286 VanDerWaalsContact O-N 3.13Å; K282-T754 PolarHBondContact NZ-O 3.03Å; K282-T754 PolarHBondContact NZ-OG1 2.91Å; K282-T754 VanDerWaalsContact NZ-OG1 3.15Å; K282-A755 VanDerWaalsContact NZ-C 3.34Å; K282-A755 PolarHBondContact NZ-O 2.86Å; K282-P756 WeakPolarHBondContact CE-O 3.24Å; K282-P756 PolarHBondContact NZ-O 2.82Å
283	R	95.4	Very high	95.9	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-51.6	175.3	-75.6	173.9	49.7	89.2	-9.5	111.8	D53 D55 P225 E229 L279 H280 R281 Q285 T286 L287	D53-R283 VanDerWaalsContact O-CZ 3.26Å; D53-R283 PolarHBondContact O-NH1 2.91Å; D53-R283 PolarHBondContact O-NH2 3.35Å; D55-R283 IonicContact OD1-CZ 3.37Å; D55-R283 IonicContact OD1-NH2 2.72Å; D55-R283 PolarHBondContact OD1-NH2 2.87Å; P225-R283 HydrophobicContact CB-CB 3.95Å; P225-R283 HydrophobicContact CB-CG 4.12Å; P225-R283 PolarHBondContact O-NH1 2.87Å; E229-R283 HydrophobicContact CG-CG 3.88Å; L279-R283 WeakPolarHBondContact O-CG 3.02Å; L279-R283 PolarHBondContact O-N 2.06Å; H280-R283 WeakPolarHBondContact O-CB 3.38Å; H280-R283 PolarHBondContact O-N 3.03Å; R281-R283 VanDerWaalsContact C-N 3.31Å; R281-R283 PolarHBondContact O-N 3.27Å; R283-Q285 VanDerWaalsContact C-N 3.27Å; R283-Q285 PolarHBondContact O-N 2.92Å; R283-T286 PolarHBondContact O-N 3.42Å; R283-T286 VanDerWaalsContact O-N 3.09Å; R283-T286 PolarHBondContact O-OG1 3.18Å; R283-L287 PolarHBondContact O-N 2.84Å
284	L	96.3	Very high	96	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-37.8	177.6	-63.9	-179.2	0	0	0	112.5	V63 F239 A242 H280 R281 T286 L287 L288	V63-L284 HydrophobicContact CG1-CB 4.21Å; V63-L284 HydrophobicContact CG1-CD1 4.02Å; V63-L284 HydrophobicContact CG1-CD2 3.98Å; V63-L284 HydrophobicContact CG1-CG 4.3Å; V63-L284 HydrophobicContact CG2-CB 4.26Å; V63-L284 HydrophobicContact CG2-CD2 3.86Å; F239-L284 HydrophobicContact CB-CD1 4.47Å; F239-L284 HydrophobicContact CD2-CB 3.65Å; F239-L284 HydrophobicContact CD2-CD1 4.46Å; F239-L284 HydrophobicContact CE2-CB 4.02Å; F239-L284 HydrophobicContact CG-CB 4.36Å; F239-L284 HydrophobicContact CG-CD1 4.38Å; A242-L284 HydrophobicContact CB-CD1 3.73Å; H280-L284 WeakPolarHBondContact O-CG 3.24Å; H280-L284 PolarHBondContact O-N 3.36Å; R281-L284 PolarHBondContact O-N 3.1Å; L284-T286 PolarHBondContact O-N 2.81Å; L284-L287 HydrophobicContact CD2-CD1 4.46Å; L284-L287 PolarHBondContact O-N 3.37Å; L284-L288 PolarHBondContact O-N 2.84Å
285	Q	96	Very high	96.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.9	-35.5	176.1	-65.1	173.1	-13.7	0	0	112.9	Y235 A236 H238 F239 R281 K282 R283 L287	Y235-Q285 VanDerWaalsContact O-CD 3.23Å; Y235-Q285 WeakPolarHBondContact O-CG 3.35Å; Y235-Q285 PolarHBondContact O-NE2 3.11Å; A236-Q285 VanDerWaalsContact C-NE2 3.33Å; A236-Q285 PolarHBondContact O-NE2 2.97Å; H238-Q285 HydrophobicContact CB-CG 4.37Å; H238-Q285 PolarHBondContact O-NE2 2.9Å; F239-Q285 HydrophobicContact CD2-CG 4.27Å; R281-Q285 HydrophobicContact CG-CG 4.44Å; R281-Q285 VanDerWaalsContact O-CG 3.28Å; R281-Q285 WeakPolarHBondContact O-CG 3.12Å; R281-Q285 PolarHBondContact O-N 3.15Å; K282-Q285 PolarHBondContact O-N 3.35Å; R283-Q285 VanDerWaalsContact C-N 3.27Å; R283-Q285 PolarHBondContact O-N 2.92Å; Q285-L287 VanDerWaalsContact C-N 3.33Å
286	T	96.8	Very high	96.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.3	-27.6	174.4	64.5	0	0	0	0	113.3	F169 P225 E229 K282 R283 L284 S289	F169-T286 HydrophobicContact CE1-CG2 3.95Å; F169-T286 HydrophobicContact CE2-CG2 4.03Å; F169-T286 HydrophobicContact CZ-CG2 3.51Å; P225-T286 WeakPolarHBondContact CA-OG1 3.22Å; P225-T286 WeakPolarHBondContact CB-OG1 3.42Å; E229-T286 HydrophobicContact CB-CG2 4.43Å; K282-T286 PolarHBondContact O-N 2.98Å; K282-T286 VanDerWaalsContact O-N 3.13Å; R283-T286 PolarHBondContact O-N 3.42Å; R283-T286 VanDerWaalsContact O-N 3.09Å; R283-T286 PolarHBondContact O-OG1 3.18Å; L284-T286 PolarHBondContact O-N 2.81Å; T286-S289 PolarHBondContact O-N 3.04Å
287	L	97.8	Very high	96.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.9	-28.6	178.4	-72.4	177.8	0	0	0	113.1	Q54 S60 V63 M64 P225 R283 L284 Q285 S289 V290 D291	Q54-L287 HydrophobicContact CG-CD1 4.42Å; Q54-L287 HydrophobicContact CG-CD2 4.26Å; S60-L287 WeakPolarHBondContact O-CD1 3.44Å; V63-L287 HydrophobicContact CG2-CB 4.2Å; V63-L287 HydrophobicContact CG2-CD1 4.39Å; M64-L287 HydrophobicContact CG-CB 4.12Å; M64-L287 HydrophobicContact SD-CB 3.92Å; M64-L287 HydrophobicContact SD-CD1 4.2Å; M64-L287 HydrophobicContact SD-CD2 3.91Å; M64-L287 HydrophobicContact SD-CG 4.23Å; P225-L287 HydrophobicContact CB-CD2 4.14Å; P225-L287 HydrophobicContact CB-CG 4.11Å; P225-L287 HydrophobicContact CG-CD1 4.38Å; P225-L287 HydrophobicContact CG-CD2 3.91Å; P225-L287 HydrophobicContact CG-CG 4.2Å; R283-L287 PolarHBondContact O-N 2.84Å; L284-L287 HydrophobicContact CD2-CD1 4.46Å; L284-L287 PolarHBondContact O-N 3.37Å; Q285-L287 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3.03Å; L287-V290 CarbonylContact O-C 3.59Å; L287-V290 WeakPolarHBondContact O-CA 3.47Å; L287-V290 WeakPolarHBondContact O-CB 3.25Å; L287-V290 PolarHBondContact O-N 3.05Å; L287-D291 PolarHBondContact O-N 3.27Å
288	L	97.7	Very high	96.9	Very high	21 Å²	21	14.5 Å²	14.5	11%	0.11	6%	0.064	C	C	.	.	H	α-helix	trans	-59.5	-34.1	176.1	-70.2	179.6	0	0	0	112.7	V63 Y235 H238 F239 L284 V290 D291 E292	V63-L288 WeakPolarHBondContact O-CD2 3.33Å; Y235-L288 HydrophobicContact CD1-CB 3.91Å; Y235-L288 HydrophobicContact CD1-CD1 3.5Å; Y235-L288 VanDerWaalsContact CD1-CD1 3.5Å; Y235-L288 HydrophobicContact CD1-CG 4.36Å; Y235-L288 HydrophobicContact CD2-CB 3.63Å; Y235-L288 HydrophobicContact CD2-CD1 4.49Å; Y235-L288 HydrophobicContact CE1-CB 4.03Å; Y235-L288 HydrophobicContact CE1-CD1 4.13Å; Y235-L288 HydrophobicContact CE2-CB 3.77Å; Y235-L288 HydrophobicContact CG-CB 3.75Å; Y235-L288 HydrophobicContact CG-CD1 3.75Å; Y235-L288 HydrophobicContact CG-CG 4.4Å; H238-L288 HydrophobicContact CB-CD1 4.3Å; F239-L288 HydrophobicContact CE2-CD1 3.61Å; F239-L288 HydrophobicContact CE2-CD2 4.35Å; F239-L288 HydrophobicContact CE2-CG 3.96Å; F239-L288 HydrophobicContact CZ-CD1 3.91Å; F239-L288 HydrophobicContact CZ-CD2 4.14Å; F239-L288 HydrophobicContact CZ-CG 4.24Å; L284-L288 PolarHBondContact O-N 2.84Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 3.17Å; L288-D291 WeakPolarHBondContact O-CB 3.42Å; L288-D291 PolarHBondContact O-N 2.86Å; L288-E292 VanDerWaalsContact O-CG 3.3Å; L288-E292 WeakPolarHBondContact O-CG 3.33Å; L288-E292 PolarHBondContact O-N 3.07Å
289	S	97.6	Very high	97.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-67.1	-29.9	172.2	-53.6	0	0	0	0	113.3	Y191 T193 T286 L287 S293	Y191-S289 WeakPolarHBondContact CE1-OG 3.28Å; Y191-S289 WeakPolarHBondContact OH-CB 3.47Å; Y191-S289 PolarHBondContact OH-OG 2.61Å; T193-S289 WeakPolarHBondContact CG2-O 3.38Å; T286-S289 PolarHBondContact O-N 3.04Å; L287-S289 PolarHBondContact O-N 3.03Å; S289-S293 PolarHBondContact O-N 2.97Å; S289-S293 VanDerWaalsContact O-N 3.12Å
290	V	98.4	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-76.2	-34.5	172.8	-175.5	0	0	0	0	110.4	T51 M64 T193 H222 A224 L287 L288 E292 S293 V294 Y314	T51-V290 HydrophobicContact CG2-CG1 4.01Å; M64-V290 HydrophobicContact CE-CB 3.77Å; M64-V290 HydrophobicContact CE-CG1 3.82Å; T193-V290 HydrophobicContact CG2-CG2 4.45Å; H222-V290 HydrophobicContact CB-CG2 4.03Å; A224-V290 HydrophobicContact CB-CG2 3.77Å; L287-V290 CarbonylContact O-C 3.59Å; L287-V290 WeakPolarHBondContact O-CA 3.47Å; L287-V290 WeakPolarHBondContact O-CB 3.25Å; L287-V290 PolarHBondContact O-N 3.05Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 3.17Å; V290-E292 VanDerWaalsContact C-N 3.29Å; V290-E292 PolarHBondContact O-N 3.03Å; V290-S293 WeakPolarHBondContact O-CA 3.45Å; V290-S293 VanDerWaalsContact O-CB 3.31Å; V290-S293 WeakPolarHBondContact O-CB 3.41Å; V290-S293 PolarHBondContact O-N 2.84Å; V290-V294 WeakPolarHBondContact O-CG2 3.27Å; V290-V294 PolarHBondContact O-N 2.87Å; V290-Y314 HydrophobicContact CG1-CE2 4.24Å
291	D	98.5	Very high	97.5	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-62.2	-38.4	174.6	-158.3	51.4	0	0	0	111.8	M64 N65 K66 T67 L287 L288 Q295	M64-D291 WeakPolarHBondContact CA-OD1 3.49Å; M64-D291 HydrophobicContact CB-CB 4.45Å; M64-D291 WeakPolarHBondContact CB-OD1 3.34Å; M64-D291 HydrophobicContact CE-CB 4.06Å; N65-D291 PolarHBondContact N-OD2 3.44Å; K66-D291 VanDerWaalsContact CB-OD2 3.28Å; K66-D291 WeakPolarHBondContact CB-OD2 3.36Å; K66-D291 WeakPolarHBondContact CG-OD2 3.24Å; K66-D291 PolarHBondContact N-OD1 2.81Å; K66-D291 PolarHBondContact N-OD2 2.83Å; T67-D291 VanDerWaalsContact CB-OD1 3.26Å; T67-D291 WeakPolarHBondContact CB-OD1 3.33Å; T67-D291 PolarHBondContact N-OD1 2.87Å; T67-D291 PolarHBondContact OG1-OD1 3.15Å; L287-D291 PolarHBondContact O-N 3.27Å; L288-D291 WeakPolarHBondContact O-CB 3.42Å; L288-D291 PolarHBondContact O-N 2.86Å; D291-Q295 PolarHBondContact O-N 3.17Å
292	E	98.1	Very high	97.6	Very high	47 Å²	47	18.7 Å²	18.7	22%	0.22	9%	0.089	C	C	.	.	H	α-helix	trans	-66	-38	167.9	-62.4	-116.3	131.7	0	0	113.3	K66 Y235 L288 V290 Q295 K296	K66-E292 IonicContact NZ-OE1 2.7Å; K66-E292 PolarHBondContact NZ-OE1 3Å; Y235-E292 VanDerWaalsContact OH-CG 3.24Å; Y235-E292 WeakPolarHBondContact OH-CG 3.32Å; Y235-E292 PolarHBondContact OH-OE1 3.4Å; L288-E292 VanDerWaalsContact O-CG 3.3Å; L288-E292 WeakPolarHBondContact O-CG 3.33Å; L288-E292 PolarHBondContact O-N 3.07Å; V290-E292 VanDerWaalsContact C-N 3.29Å; V290-E292 PolarHBondContact O-N 3.03Å; E292-Q295 PolarHBondContact O-N 2.93Å; E292-K296 HydrophobicContact CB-CD 4.49Å; E292-K296 WeakPolarHBondContact O-CB 3.15Å; E292-K296 WeakPolarHBondContact O-CD 3.42Å; E292-K296 WeakPolarHBondContact O-CG 3.34Å; E292-K296 PolarHBondContact O-N 2.82Å; E292-K296 WeakPolarHBondContact OE2-CE 3.16Å; E292-K296 IonicContact OE2-NZ 3.72Å; E292-K296 PolarHBondContact OE2-NZ 2.9Å
293	S	98.6	Very high	97.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-63	-46.5	178.9	-173.4	0	0	0	0	111.6	T197 H222 S289 V290 Q295 K296 V297	T197-S293 WeakPolarHBondContact CG2-OG 3.27Å; T197-S293 WeakPolarHBondContact OG1-CB 3.49Å; T197-S293 PolarHBondContact OG1-OG 3.12Å; H222-S293 PolarHBondContact CE1-OG 3.13Å; H222-S293 PolarHBondContact NE2-OG 3Å; S289-S293 PolarHBondContact O-N 2.97Å; S289-S293 VanDerWaalsContact O-N 3.12Å; V290-S293 WeakPolarHBondContact O-CA 3.45Å; V290-S293 VanDerWaalsContact O-CB 3.31Å; V290-S293 WeakPolarHBondContact O-CB 3.41Å; V290-S293 PolarHBondContact O-N 2.84Å; S293-Q295 VanDerWaalsContact C-N 3.32Å; S293-Q295 PolarHBondContact O-N 2.88Å; S293-K296 PolarHBondContact O-N 2.92Å; S293-V297 WeakPolarHBondContact O-CB 3.36Å; S293-V297 VanDerWaalsContact O-CG2 3.28Å; S293-V297 WeakPolarHBondContact O-CG2 3.38Å; S293-V297 PolarHBondContact O-N 3.3Å
294	V	98.6	Very high	97.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-43.1	176.7	178.1	0	0	0	0	110.8	I49 T67 I70 M71 V290 Y298 Y314	I49-V294 HydrophobicContact CD1-CG2 3.94Å; I49-V294 HydrophobicContact CG2-CG2 4.29Å; T67-V294 HydrophobicContact CG2-CG1 4.26Å; T67-V294 HydrophobicContact CG2-CG2 4.09Å; I70-V294 HydrophobicContact CB-CG1 4.41Å; I70-V294 HydrophobicContact CD1-CG1 4.09Å; I70-V294 HydrophobicContact CG2-CG1 4.23Å; M71-V294 HydrophobicContact CG-CG1 4.33Å; V290-V294 WeakPolarHBondContact O-CG2 3.27Å; V290-V294 PolarHBondContact O-N 2.87Å; V294-Y298 VanDerWaalsContact O-CB 3.28Å; V294-Y298 WeakPolarHBondContact O-CB 3.42Å; V294-Y298 PolarHBondContact O-N 2.81Å; V294-Y314 HydrophobicContact CG2-CD2 3.92Å; V294-Y314 HydrophobicContact CG2-CE2 3.86Å
295	Q	98.6	Very high	97.7	Very high	55 Å²	55	30.4 Å²	30.4	26%	0.257	17%	0.165	S	C	.	.	H	α-helix	trans	-61.4	-53.4	173.9	-171.5	73.6	68.2	0	0	111.9	K66 I70 D291 E292 S293 V297 Y298 D299	K66-Q295 HydrophobicContact CB-CB 4.33Å; K66-Q295 HydrophobicContact CD-CB 3.97Å; K66-Q295 HydrophobicContact CD-CG 4.28Å; I70-Q295 HydrophobicContact CD1-CB 4.25Å; D291-Q295 PolarHBondContact O-N 3.17Å; E292-Q295 PolarHBondContact O-N 2.93Å; S293-Q295 VanDerWaalsContact C-N 3.32Å; S293-Q295 PolarHBondContact O-N 2.88Å; Q295-V297 PolarHBondContact O-N 3.29Å; Q295-Y298 WeakPolarHBondContact O-CA 3.31Å; Q295-Y298 WeakPolarHBondContact O-CB 3.36Å; Q295-Y298 PolarHBondContact O-N 3Å; Q295-D299 PolarHBondContact NE2-OD1 2.97Å; Q295-D299 PolarHBondContact O-N 3.33Å
296	K	98.6	Very high	97.7	Very high	57 Å²	57	31.8 Å²	31.8	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-34.1	-179.4	-69.7	162.4	-175.1	162.3	0	112.4	D194 T197 I201 E292 S293 M300	D194-K296 IonicContact OD2-NZ 3.6Å; D194-K296 PolarHBondContact OD2-NZ 3Å; T197-K296 HydrophobicContact CG2-CB 4.12Å; T197-K296 HydrophobicContact CG2-CD 4.21Å; I201-K296 HydrophobicContact CD1-CB 3.76Å; I201-K296 WeakPolarHBondContact CD1-O 3.36Å; E292-K296 HydrophobicContact CB-CD 4.49Å; E292-K296 WeakPolarHBondContact O-CB 3.15Å; E292-K296 WeakPolarHBondContact O-CD 3.42Å; E292-K296 WeakPolarHBondContact O-CG 3.34Å; E292-K296 PolarHBondContact O-N 2.82Å; E292-K296 WeakPolarHBondContact OE2-CE 3.16Å; E292-K296 IonicContact OE2-NZ 3.72Å; E292-K296 PolarHBondContact OE2-NZ 2.9Å; S293-K296 PolarHBondContact O-N 2.92Å; K296-M300 WeakPolarHBondContact O-CB 2.97Å; K296-M300 PolarHBondContact O-N 2.88Å
297	V	98.6	Very high	97.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-75.2	-36.4	174.9	171.4	0	0	0	0	111.8	I47 I49 I201 I220 S293 Q295 M300 L301	I47-V297 HydrophobicContact CD1-CG1 3.85Å; I47-V297 HydrophobicContact CG2-CG1 4.36Å; I49-V297 HydrophobicContact CD1-CG1 4.47Å; I201-V297 HydrophobicContact CD1-CG2 4.42Å; I201-V297 HydrophobicContact CG1-CG2 4.3Å; I220-V297 HydrophobicContact CD1-CG2 3.71Å; S293-V297 WeakPolarHBondContact O-CB 3.36Å; S293-V297 VanDerWaalsContact O-CG2 3.28Å; S293-V297 WeakPolarHBondContact O-CG2 3.38Å; S293-V297 PolarHBondContact O-N 3.3Å; Q295-V297 PolarHBondContact O-N 3.29Å; V297-M300 HydrophobicContact CG1-CE 4.46Å; V297-L301 WeakPolarHBondContact O-CG 3.44Å; V297-L301 PolarHBondContact O-N 3.13Å
298	Y	98.4	Very high	97.4	Very high	29 Å²	29	39.7 Å²	39.7	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-50.4	174.7	179.5	-93.8	0	0	0	112.1	I70 V294 Q295 M300 L301 E302 L307 R346	I70-Y298 HydrophobicContact CB-CD2 4.49Å; I70-Y298 HydrophobicContact CD1-CD1 4.36Å; I70-Y298 HydrophobicContact CD1-CG 4.04Å; I70-Y298 HydrophobicContact CG1-CD1 4.34Å; I70-Y298 HydrophobicContact CG1-CD2 4.33Å; I70-Y298 HydrophobicContact CG1-CG 4.09Å; I70-Y298 HydrophobicContact CG2-CD2 3.43Å; I70-Y298 VanDerWaalsContact CG2-CD2 3.43Å; I70-Y298 HydrophobicContact CG2-CE2 4.04Å; I70-Y298 HydrophobicContact CG2-CG 3.89Å; V294-Y298 VanDerWaalsContact O-CB 3.28Å; V294-Y298 WeakPolarHBondContact O-CB 3.42Å; V294-Y298 PolarHBondContact O-N 2.81Å; Q295-Y298 WeakPolarHBondContact O-CA 3.31Å; Q295-Y298 WeakPolarHBondContact O-CB 3.36Å; Q295-Y298 PolarHBondContact O-N 3Å; Y298-M300 VanDerWaalsContact C-N 3.26Å; Y298-M300 PolarHBondContact O-N 2.93Å; Y298-L301 WeakPolarHBondContact O-CA 3.41Å; Y298-L301 WeakPolarHBondContact O-CB 3.24Å; Y298-L301 PolarHBondContact O-N 3.39Å; Y298-E302 HydrophobicContact CD1-CG 4.49Å; Y298-E302 HydrophobicContact CE1-CG 3.87Å; Y298-E302 WeakPolarHBondContact CE1-OE1 3.36Å; Y298-E302 PolarHBondContact O-N 2.63Å; Y298-E302 VanDerWaalsContact O-N 3.12Å; Y298-E302 PolarHBondContact OH-OE1 3.27Å; Y298-L307 HydrophobicContact CD2-CD1 3.94Å; Y298-L307 HydrophobicContact CD2-CD2 4.5Å; Y298-L307 HydrophobicContact CE2-CD1 3.66Å; Y298-L307 HydrophobicContact CE2-CD2 3.58Å; Y298-L307 HydrophobicContact CE2-CG 4.29Å; Y298-L307 WeakPolarHBondContact OH-CD2 3.31Å; Y298-R346 VanDerWaalsContact CE2-CZ 3.47Å; Y298-R346 PolarHBondContact OH-NH2 3.19Å
299	D	98.6	Very high	97.3	Very high	60 Å²	60	40.7 Å²	40.7	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-57.1	-42.8	179.7	-56.7	-19.1	0	0	0	110.5	Q295 L301 E302 E303	Q295-D299 PolarHBondContact NE2-OD1 2.97Å; Q295-D299 PolarHBondContact O-N 3.33Å; D299-L301 VanDerWaalsContact C-N 3.25Å; D299-L301 PolarHBondContact O-N 3Å; D299-E302 PolarHBondContact O-N 2.82Å; D299-E302 VanDerWaalsContact O-N 3.17Å; D299-E303 WeakPolarHBondContact O-CB 3.24Å; D299-E303 WeakPolarHBondContact O-CG 3.44Å; D299-E303 PolarHBondContact O-N 2.83Å
300	M	98.2	Very high	97.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-32.6	174.9	179.1	-77.6	-61.3	0	0	113.2	I201 F204 R205 M218 K296 V297 Y298 T304	I201-M300 HydrophobicContact CB-CG 4.41Å; I201-M300 HydrophobicContact CG1-CB 4.32Å; I201-M300 HydrophobicContact CG1-CG 4.23Å; I201-M300 HydrophobicContact CG2-CB 4.46Å; I201-M300 HydrophobicContact CG2-CG 3.91Å; F204-M300 HydrophobicContact CB-CE 3.88Å; F204-M300 HydrophobicContact CB-SD 3.96Å; F204-M300 HydrophobicContact CD1-CE 3.8Å; F204-M300 HydrophobicContact CD1-SD 3.24Å; F204-M300 WeakPolarHBondContact CD1-SD 3.38Å; F204-M300 HydrophobicContact CD2-CE 4.13Å; F204-M300 HydrophobicContact CE1-CE 4.33Å; F204-M300 HydrophobicContact CE1-SD 3.82Å; F204-M300 HydrophobicContact CG-CE 3.68Å; F204-M300 HydrophobicContact CG-SD 3.72Å; R205-M300 HydrophobicContact CG-CG 4.07Å; R205-M300 HydrophobicContact CG-SD 4.45Å; M218-M300 HydrophobicContact CE-CE 4.28Å; K296-M300 WeakPolarHBondContact O-CB 2.97Å; K296-M300 PolarHBondContact O-N 2.88Å; V297-M300 HydrophobicContact CG1-CE 4.46Å; Y298-M300 VanDerWaalsContact C-N 3.26Å; Y298-M300 PolarHBondContact O-N 2.93Å; M300-T304 WeakPolarHBondContact O-CB 3.35Å; M300-T304 VanDerWaalsContact O-CG2 3.29Å; M300-T304 WeakPolarHBondContact O-CG2 3.35Å; M300-T304 PolarHBondContact O-N 3.39Å; M300-T304 VanDerWaalsContact O-N 3.13Å; M300-T304 PolarHBondContact O-OG1 2.94Å; M300-T304 HydrophobicContact SD-CG2 4.38Å
301	L	98	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-78.5	-32.6	176.5	-69.4	171.3	0	0	0	113.1	I47 F204 V297 Y298 D299 G305 E306 L307 T310 I312	I47-L301 HydrophobicContact CD1-CD1 3.9Å; I47-L301 HydrophobicContact CD1-CD2 4.28Å; I47-L301 HydrophobicContact CD1-CG 4.42Å; F204-L301 HydrophobicContact CE1-CD2 3.86Å; F204-L301 HydrophobicContact CE2-CD2 3.97Å; F204-L301 HydrophobicContact CZ-CD2 3.46Å; F204-L301 VanDerWaalsContact CZ-CD2 3.46Å; V297-L301 WeakPolarHBondContact O-CG 3.44Å; V297-L301 PolarHBondContact O-N 3.13Å; Y298-L301 WeakPolarHBondContact O-CA 3.41Å; Y298-L301 WeakPolarHBondContact O-CB 3.24Å; Y298-L301 PolarHBondContact O-N 3.39Å; D299-L301 VanDerWaalsContact C-N 3.25Å; D299-L301 PolarHBondContact O-N 3Å; L301-G305 PolarHBondContact O-N 2.83Å; L301-E306 HydrophobicContact CD2-CB 4.17Å; L301-E306 PolarHBondContact O-N 2.86Å; L301-L307 HydrophobicContact CB-CB 3.92Å; L301-L307 HydrophobicContact CB-CD1 4.08Å; L301-L307 HydrophobicContact CD1-CD1 4.08Å; L301-L307 PolarHBondContact O-N 3.16Å; L301-T310 HydrophobicContact CD1-CG2 3.83Å; L301-T310 HydrophobicContact CD2-CG2 4.08Å; L301-I312 HydrophobicContact CD1-CD1 3.7Å; L301-I312 HydrophobicContact CD1-CG1 4.11Å
302	E	97.4	Very high	97.3	Very high	108 Å²	108	41.4 Å²	41.4	51%	0.505	22%	0.222	S	C	.	.	H	α-helix	trans	-67.6	-51.2	170.1	-71.1	-165.8	163.4	0	0	110.4	Y298 D299 T304 G305 L307	Y298-E302 HydrophobicContact CD1-CG 4.49Å; Y298-E302 HydrophobicContact CE1-CG 3.87Å; Y298-E302 WeakPolarHBondContact CE1-OE1 3.36Å; Y298-E302 PolarHBondContact O-N 2.63Å; Y298-E302 VanDerWaalsContact O-N 3.12Å; Y298-E302 PolarHBondContact OH-OE1 3.27Å; D299-E302 PolarHBondContact O-N 2.82Å; D299-E302 VanDerWaalsContact O-N 3.17Å; E302-T304 PolarHBondContact O-N 2.63Å; E302-G305 PolarHBondContact O-N 2.87Å; E302-L307 HydrophobicContact CG-CD2 3.69Å
303	E	96.9	Very high	97.3	Very high	129 Å²	129	39.2 Å²	39.2	60%	0.603	21%	0.211	S	C	*	.	H	α-helix	trans	-54.2	-37.4	176.4	-75.2	177.3	170	0	0	113.6	R205 D299	R205-E303 IonicContact CZ-OE2 3.65Å; R205-E303 IonicContact NE-OE2 3.73Å; R205-E303 IonicContact NH2-OE1 3.2Å; R205-E303 PolarHBondContact NH2-OE1 2.89Å; R205-E303 IonicContact NH2-OE2 3.36Å; R205-E303 PolarHBondContact NH2-OE2 3.34Å; D299-E303 WeakPolarHBondContact O-CB 3.24Å; D299-E303 WeakPolarHBondContact O-CG 3.44Å; D299-E303 PolarHBondContact O-N 2.83Å
304	T	95.2	Very high	97.3	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.319	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.7	-179.3	55.8	0	0	0	0	113.8	R205 M300 E302 E306	R205-T304 HydrophobicContact CG-CG2 4.25Å; M300-T304 WeakPolarHBondContact O-CB 3.35Å; M300-T304 VanDerWaalsContact O-CG2 3.29Å; M300-T304 WeakPolarHBondContact O-CG2 3.35Å; M300-T304 PolarHBondContact O-N 3.39Å; M300-T304 VanDerWaalsContact O-N 3.13Å; M300-T304 PolarHBondContact O-OG1 2.94Å; M300-T304 HydrophobicContact SD-CG2 4.38Å; E302-T304 PolarHBondContact O-N 2.63Å; T304-E306 PolarHBondContact O-N 3.42Å
305	G	94.9	Very high	97.3	Very high	67 Å²	67	39.1 Å²	39.1	69%	0.691	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	22.6	-177.5	0	0	0	0	0	114.2	L301 E302	L301-G305 PolarHBondContact O-N 2.83Å; E302-G305 PolarHBondContact O-N 2.87Å
306	E	95.9	Very high	97.3	Very high	28 Å²	28	36.5 Å²	36.5	13%	0.131	20%	0.199	C	C	.	.			trans	-105.7	-3.4	-176	-75.8	-83.1	-176.2	0	0	113.3	N45 F204 K208 L301 T304 D308 N309 T310	N45-E306 PolarHBondContact ND2-OE2 2.77Å; F204-E306 HydrophobicContact CE1-CB 4.12Å; F204-E306 HydrophobicContact CE1-CG 4.24Å; F204-E306 HydrophobicContact CZ-CB 4.01Å; F204-E306 HydrophobicContact CZ-CG 4.35Å; K208-E306 HydrophobicContact CD-CG 4.25Å; K208-E306 VanDerWaalsContact CD-OE1 3.31Å; K208-E306 WeakPolarHBondContact CD-OE1 3.28Å; K208-E306 WeakPolarHBondContact CE-OE1 3.37Å; K208-E306 WeakPolarHBondContact CE-OE2 3.48Å; K208-E306 HydrophobicContact CG-CG 4.48Å; K208-E306 IonicContact NZ-OE1 3.61Å; K208-E306 PolarHBondContact NZ-OE1 2.83Å; K208-E306 IonicContact NZ-OE2 3.32Å; K208-E306 PolarHBondContact NZ-OE2 3.04Å; L301-E306 HydrophobicContact CD2-CB 4.17Å; L301-E306 PolarHBondContact O-N 2.86Å; T304-E306 PolarHBondContact O-N 3.42Å; E306-D308 PolarHBondContact O-N 3.43Å; E306-N309 CarbonylContact O-C 3.51Å; E306-N309 PolarHBondContact O-N 3.34Å; E306-N309 VanDerWaalsContact O-N 3.1Å; E306-N309 PolarHBondContact OE2-ND2 3.12Å; E306-T310 WeakPolarHBondContact O-CB 3.4Å; E306-T310 PolarHBondContact O-N 2.91Å; E306-T310 PolarHBondContact O-OG1 2.81Å
307	L	95.4	Very high	97.2	Very high	18 Å²	18	33.8 Å²	33.8	9%	0.094	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-54.3	-52.1	-178.4	-179.1	61.9	0	0	0	112.9	Y298 L301 E302 N309 T310 I312	Y298-L307 HydrophobicContact CD2-CD1 3.94Å; Y298-L307 HydrophobicContact CD2-CD2 4.5Å; Y298-L307 HydrophobicContact CE2-CD1 3.66Å; Y298-L307 HydrophobicContact CE2-CD2 3.58Å; Y298-L307 HydrophobicContact CE2-CG 4.29Å; Y298-L307 WeakPolarHBondContact OH-CD2 3.31Å; L301-L307 HydrophobicContact CB-CB 3.92Å; L301-L307 HydrophobicContact CB-CD1 4.08Å; L301-L307 HydrophobicContact CD1-CD1 4.08Å; L301-L307 PolarHBondContact O-N 3.16Å; E302-L307 HydrophobicContact CG-CD2 3.69Å; L307-N309 PolarHBondContact O-N 3.22Å; L307-N309 VanDerWaalsContact O-N 3.08Å; L307-T310 PolarHBondContact O-N 3.49Å; L307-I312 HydrophobicContact CD1-CD1 4.27Å
308	D	93.3	Very high	97.1	Very high	148 Å²	148	33.8 Å²	33.8	79%	0.791	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-63.9	-16.3	-179.2	-66.2	-23.2	0	0	0	113.6	E306 P348	E306-D308 PolarHBondContact O-N 3.43Å; D308-P348 WeakPolarHBondContact O-CG 3.43Å
309	N	95.4	Very high	97	Very high	43 Å²	43	32.4 Å²	32.4	23%	0.23	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-107.4	12.1	178.9	-175.5	50.8	0	0	0	112.3	P44 N45 E306 L307	P44-N309 CarbonylContact C-O 3.52Å; P44-N309 WeakPolarHBondContact CA-O 3.38Å; P44-N309 VanDerWaalsContact CB-O 3.26Å; P44-N309 WeakPolarHBondContact CB-O 3.39Å; N45-N309 PolarHBondContact N-O 3.16Å; E306-N309 CarbonylContact O-C 3.51Å; E306-N309 PolarHBondContact O-N 3.34Å; E306-N309 VanDerWaalsContact O-N 3.1Å; E306-N309 PolarHBondContact OE2-ND2 3.12Å; L307-N309 PolarHBondContact O-N 3.22Å; L307-N309 VanDerWaalsContact O-N 3.08Å
310	T	97.6	Very high	96.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125	-175.2	-60.6	0	0	0	0	111.5	N45 I47 L301 E306 L307 I312 G347	N45-T310 HydrophobicContact CB-CG2 4.05Å; N45-T310 PolarHBondContact ND2-OG1 3.02Å; I47-T310 HydrophobicContact CD1-CG2 3.85Å; I47-T310 HydrophobicContact CG1-CG2 3.94Å; L301-T310 HydrophobicContact CD1-CG2 3.83Å; L301-T310 HydrophobicContact CD2-CG2 4.08Å; E306-T310 WeakPolarHBondContact O-CB 3.4Å; E306-T310 PolarHBondContact O-N 2.91Å; E306-T310 PolarHBondContact O-OG1 2.81Å; L307-T310 PolarHBondContact O-N 3.49Å; T310-I312 HydrophobicContact CG2-CG1 4.16Å; T310-G347 WeakPolarHBondContact O-CA 3.26Å
311	Y	98.2	Very high	96.7	Very high	19 Å²	19	30 Å²	30	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.8	162.8	-73.5	-91.4	0	0	0	109.7	P44 N45 I46 I47 L345 R346 P348 V350 I372 L387	P44-Y311 HydrophobicContact CB-CD2 3.87Å; P44-Y311 HydrophobicContact CB-CE2 3.98Å; P44-Y311 HydrophobicContact CG-CD2 3.88Å; P44-Y311 HydrophobicContact CG-CE2 3.74Å; N45-Y311 PolarHBondContact O-N 2.97Å; I46-Y311 CarbonylContact C-O 3.54Å; I46-Y311 WeakPolarHBondContact CA-O 3.18Å; I47-Y311 PolarHBondContact N-O 2.96Å; Y311-L345 HydrophobicContact CD1-CD1 4.05Å; Y311-R346 CarbonylContact C-O 3.51Å; Y311-R346 VanDerWaalsContact CA-O 3.26Å; Y311-R346 WeakPolarHBondContact CA-O 3.04Å; Y311-P348 HydrophobicContact CD2-CG 4.13Å; Y311-P348 HydrophobicContact CE2-CB 4.24Å; Y311-P348 HydrophobicContact CE2-CG 3.71Å; Y311-P348 PolarHBondContact OH-O 2.88Å; Y311-V350 HydrophobicContact CD1-CG2 4.22Å; Y311-V350 HydrophobicContact CE1-CG2 3.81Å; Y311-I372 HydrophobicContact CD1-CD1 4.19Å; Y311-I372 HydrophobicContact CD2-CB 4.48Å; Y311-I372 HydrophobicContact CD2-CD1 4.33Å; Y311-I372 HydrophobicContact CD2-CG1 4.26Å; Y311-I372 HydrophobicContact CD2-CG2 3.37Å; Y311-I372 HydrophobicContact CE2-CG1 4.29Å; Y311-I372 HydrophobicContact CE2-CG2 3.61Å; Y311-I372 HydrophobicContact CG-CD1 3.99Å; Y311-I372 HydrophobicContact CG-CG1 4.35Å; Y311-I372 HydrophobicContact CG-CG2 4.1Å; Y311-L387 HydrophobicContact CE1-CD2 3.95Å
312	I	98.6	Very high	96.6	Very high	3 Å²	3	30 Å²	30	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.8	169.6	-46.7	176	0	0	0	107.1	I47 I49 M71 L301 L307 T310 R346	I47-I312 WeakPolarHBondContact O-CA 3.48Å; I49-I312 HydrophobicContact CD1-CG2 4.15Å; M71-I312 HydrophobicContact CE-CB 4.01Å; M71-I312 HydrophobicContact CE-CG2 3.83Å; M71-I312 WeakPolarHBondContact CE-O 3.45Å; M71-I312 HydrophobicContact SD-CB 4.07Å; M71-I312 HydrophobicContact SD-CG2 3.73Å; L301-I312 HydrophobicContact CD1-CD1 3.7Å; L301-I312 HydrophobicContact CD1-CG1 4.11Å; L307-I312 HydrophobicContact CD1-CD1 4.27Å; T310-I312 HydrophobicContact CG2-CG1 4.16Å; I312-R346 PolarHBondContact N-O 2.83Å; I312-R346 PolarHBondContact O-N 3.35Å
313	I	98.7	Very high	96.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.1	175.8	-36.9	-171.8	0	0	0	107.3	I47 L48 I49 F343 F344 L345 L365 I369 I372	I47-I313 PolarHBondContact O-N 2.88Å; L48-I313 HydrophobicContact CD1-CB 3.94Å; L48-I313 HydrophobicContact CD1-CG2 4.14Å; I49-I313 PolarHBondContact N-O 3.11Å; I313-F343 HydrophobicContact CG2-CE1 4.34Å; I313-F343 HydrophobicContact CG2-CE2 4.23Å; I313-F343 HydrophobicContact CG2-CZ 3.8Å; I313-F344 WeakPolarHBondContact CA-O 3.02Å; I313-L345 HydrophobicContact CD1-CD1 4.37Å; I313-L345 HydrophobicContact CG1-CD1 3.84Å; I313-L365 HydrophobicContact CD1-CD2 4.48Å; I313-L365 HydrophobicContact CG2-CD2 3.92Å; I313-I369 HydrophobicContact CD1-CG1 4.26Å; I313-I372 HydrophobicContact CD1-CD1 4.46Å
314	Y	98.7	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.7	175.1	-178.1	-77.9	0	0	0	109.6	I49 Q54 L61 M64 T67 V290 V294 P342 F343 F344	I49-Y314 HydrophobicContact CB-CD2 4.08Å; I49-Y314 HydrophobicContact CG2-CD2 3.82Å; I49-Y314 HydrophobicContact CG2-CE2 4.1Å; I49-Y314 WeakPolarHBondContact O-CA 3.35Å; Q54-Y314 PolarHBondContact NE2-OH 3.35Å; Q54-Y314 PolarHBondContact OE1-OH 3.01Å; Q54-Y314 VanDerWaalsContact OE1-OH 3.08Å; L61-Y314 HydrophobicContact CD2-CE1 4.47Å; M64-Y314 HydrophobicContact CE-CE2 4.43Å; M64-Y314 VanDerWaalsContact CE-OH 3.27Å; M64-Y314 WeakPolarHBondContact CE-OH 3.47Å; M64-Y314 PolarHBondContact SD-OH 2.98Å; T67-Y314 HydrophobicContact CG2-CD2 3.88Å; T67-Y314 HydrophobicContact CG2-CE1 4.43Å; T67-Y314 HydrophobicContact CG2-CE2 3.72Å; T67-Y314 HydrophobicContact CG2-CG 4.3Å; V290-Y314 HydrophobicContact CG1-CE2 4.24Å; V294-Y314 HydrophobicContact CG2-CD2 3.92Å; V294-Y314 HydrophobicContact CG2-CE2 3.86Å; Y314-P342 HydrophobicContact CD1-CB 4.49Å; Y314-P342 HydrophobicContact CE1-CB 4.21Å; Y314-P342 HydrophobicContact CE1-CG 4.13Å; Y314-F343 WeakPolarHBondContact O-CA 3.48Å; Y314-F344 AromaticContact CD1-CD2 3.78Å; Y314-F344 HydrophobicContact CD1-CD2 3.78Å; Y314-F344 HydrophobicContact CD1-CE2 4.2Å; Y314-F344 HydrophobicContact CG-CD2 4.28Å; Y314-F344 PolarHBondContact N-O 2.75Å; Y314-F344 PolarHBondContact O-N 2.92Å
315	T	98.4	Very high	96.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	167.7	179.8	-172.7	0	0	0	0	112.6	L48 I49 M50 T51 M95 P342 L365	L48-T315 HydrophobicContact CD1-CG2 3.93Å; I49-T315 PolarHBondContact O-N 2.97Å; I49-T315 VanDerWaalsContact O-N 3.13Å; M50-T315 VanDerWaalsContact CA-O 3.25Å; M50-T315 WeakPolarHBondContact CA-O 3.4Å; M50-T315 HydrophobicContact CG-CG2 4.43Å; T51-T315 PolarHBondContact N-O 2.74Å; T51-T315 PolarHBondContact OG1-O 3.3Å; M95-T315 HydrophobicContact CE-CG2 4.34Å; T315-P342 VanDerWaalsContact CA-O 3.28Å; T315-P342 WeakPolarHBondContact CA-O 3.02Å; T315-P342 PolarHBondContact OG1-O 3.42Å; T315-L365 HydrophobicContact CG2-CD1 4.09Å
316	A	98.1	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	160.2	166.4	0	0	0	0	0	112.1	T51 Q54 M95 V341 P342	T51-A316 WeakPolarHBondContact OG1-CA 3.43Å; T51-A316 WeakPolarHBondContact OG1-CB 3.47Å; Q54-A316 HydrophobicContact CB-CB 3.76Å; Q54-A316 WeakPolarHBondContact O-CB 3.29Å; M95-A316 VanDerWaalsContact CE-O 3.24Å; M95-A316 WeakPolarHBondContact CE-O 3.26Å; A316-V341 HydrophobicContact CB-CB 4.04Å; A316-V341 HydrophobicContact CB-CG1 3.88Å; A316-P342 HydrophobicContact CB-CG 3.97Å
317	D	96.6	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-79.9	-24.2	176.1	81.9	-36.5	0	0	0	114.4	M50 T51 D52 D53 V83 C88 S91 R92	M50-D317 HydrophobicContact SD-CB 4.18Å; T51-D317 PolarHBondContact O-N 3.07Å; D52-D317 WeakPolarHBondContact CA-OD1 3.5Å; D52-D317 VanDerWaalsContact OD1-OD2 3.08Å; D53-D317 PolarHBondContact N-OD1 3.13Å; V83-D317 WeakPolarHBondContact CG1-O 3.47Å; C88-D317 WeakPolarHBondContact CA-OD2 3.23Å; C88-D317 VanDerWaalsContact CB-OD2 3.26Å; C88-D317 WeakPolarHBondContact CB-OD2 3.45Å; S91-D317 WeakPolarHBondContact CB-O 3.43Å; S91-D317 PolarHBondContact OG-O 3.26Å; R92-D317 HydrophobicContact CG-CB 3.94Å; R92-D317 IonicContact CZ-OD2 3.85Å; R92-D317 IonicContact NE-OD2 3.99Å; R92-D317 PolarHBondContact NE-OD2 3.12Å; R92-D317 IonicContact NH2-OD1 2.82Å; R92-D317 IonicContact NH2-OD2 2.72Å; R92-D317 PolarHBondContact NH2-OD2 2.66Å
318	H	96.7	Very high	96.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.			trans	-174.8	172.9	160.8	56.3	62	0	0	0	110.1	D53 Q54 V83 M87 C88 K331	D53-H318 CarbonylContact C-O 3.5Å; D53-H318 IonicContact OD1-CE1 3.13Å; D53-H318 PolarHBondContact OD1-CE1 3.43Å; D53-H318 IonicContact OD1-NE2 2.76Å; Q54-H318 PolarHBondContact N-O 3Å; V83-H318 HydrophobicContact CG1-CB 4.27Å; V83-H318 HydrophobicContact CG2-CB 3.71Å; M87-H318 PolarHBondContact N-CD2 3.03Å; C88-H318 PolarHBondContact N-CD2 3.24Å; C88-H318 VanDerWaalsContact N-CD2 3.25Å; C88-H318 PolarHBondContact N-NE2 2.02Å; C88-H318 VanDerWaalsContact N-NE2 3.1Å; C88-H318 PolarHBondContact SG-NE2 3.05Å; H318-K331 WeakPolarHBondContact CE1-CD 3.47Å
319	G	95.9	Very high	96.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.			trans	-75.6	-162.9	175.5	0	0	0	0	0	114.4	F337 D338	G319-F337 CarbonylContact C-O 3.45Å; G319-F337 WeakPolarHBondContact CA-O 3.48Å; G319-D338 WeakPolarHBondContact CA-O 3.06Å; G319-D338 PolarHBondContact N-O 3.24Å
320	Y	96.1	Very high	95.9	Very high	12 Å²	12	3.9 Å²	3.9	5%	0.047	2%	0.022	C	C	.	.			trans	-161.6	159.7	-175.3	-156.7	-103.6	0	0	0	112.3	D53 I322 K329 G330 K331 F337 D338	D53-Y320 HydrophobicContact CB-CD2 3.64Å; D53-Y320 HydrophobicContact CB-CE2 4.1Å; D53-Y320 HydrophobicContact CB-CG 4.38Å; D53-Y320 WeakPolarHBondContact OD2-CD2 3.29Å; D53-Y320 WeakPolarHBondContact OD2-CE2 3.38Å; Y320-I322 HydrophobicContact CD1-CD1 4.33Å; Y320-I322 HydrophobicContact CD1-CG1 3.75Å; Y320-I322 HydrophobicContact CE1-CG1 3.93Å; Y320-K329 HydrophobicContact CE1-CB 4.37Å; Y320-G330 WeakPolarHBondContact CD2-O 3.31Å; Y320-G330 WeakPolarHBondContact CE2-O 3.39Å; Y320-G330 VanDerWaalsContact CG-O 3.24Å; Y320-K331 HydrophobicContact CD2-CB 4.21Å; Y320-F337 PolarHBondContact N-O 3.07Å; Y320-D338 WeakPolarHBondContact CA-OD1 3.47Å
321	H	95.5	Very high	95.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	B	Isolated β-bridge	trans	-129.5	145.8	172.2	56.1	-101.2	0	0	0	114.5	Q324 L327 K329 G330 K331 F337 D338	H321-Q324 HydrophobicContact CB-CB 4.19Å; H321-L327 WeakPolarHBondContact CD2-CB 3.41Å; H321-K329 WeakPolarHBondContact O-CA 3.09Å; H321-G330 PolarHBondContact CD2-N 2.83Å; H321-G330 PolarHBondContact N-O 2.91Å; H321-G330 PolarHBondContact ND1-O 3.49Å; H321-G330 VanDerWaalsContact NE2-C 3.34Å; H321-G330 VanDerWaalsContact NE2-CA 3.33Å; H321-G330 WeakPolarHBondContact NE2-CA 3.37Å; H321-G330 PolarHBondContact O-N 2.8Å; H321-K331 VanDerWaalsContact CE1-CA 3.48Å; H321-K331 WeakPolarHBondContact CE1-CA 3.28Å; H321-K331 PolarHBondContact CE1-N 2.8Å; H321-K331 PolarHBondContact CE1-O 3Å; H321-K331 VanDerWaalsContact CE1-O 3.31Å; H321-F337 HydrophobicContact CB-CD2 3.64Å; H321-F337 HydrophobicContact CB-CE2 3.55Å; H321-F337 HydrophobicContact CB-CZ 4.37Å; H321-F337 AromaticContact CG-CE2 3.88Å; H321-F337 AromaticContact ND1-CE2 3.66Å; H321-D338 IonicContact CE1-OD1 3.75Å; H321-D338 IonicContact CE1-OD2 2.92Å; H321-D338 PolarHBondContact CE1-OD2 3.19Å; H321-D338 IonicContact CG-OD1 3.7Å; H321-D338 PolarHBondContact N-OD1 3.27Å; H321-D338 VanDerWaalsContact ND1-CG 3.3Å; H321-D338 IonicContact ND1-OD1 3.35Å; H321-D338 PolarHBondContact ND1-OD1 3.36Å; H321-D338 IonicContact ND1-OD2 3.19Å; H321-D338 PolarHBondContact ND1-OD2 2.94Å
322	I	95.2	Very high	95.4	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-140.3	81.6	-176.8	-51.1	174.5	0	0	0	107.6	L58 H245 Y250 T276 L279 H280 Y320 Q324	L58-I322 HydrophobicContact CD1-CB 4.14Å; L58-I322 HydrophobicContact CD1-CD1 3.76Å; L58-I322 HydrophobicContact CD1-CG1 3.69Å; H245-I322 PolarHBondContact CD2-O 3.37Å; Y250-I322 WeakPolarHBondContact CD2-O 3.23Å; T276-I322 HydrophobicContact CG2-CG2 3.61Å; L279-I322 HydrophobicContact CD2-CG1 4.29Å; L279-I322 HydrophobicContact CD2-CG2 4.11Å; H280-I322 HydrophobicContact CB-CD1 4.08Å; Y320-I322 HydrophobicContact CD1-CD1 4.33Å; Y320-I322 HydrophobicContact CD1-CG1 3.75Å; Y320-I322 HydrophobicContact CE1-CG1 3.93Å; I322-Q324 VanDerWaalsContact C-OE1 3.28Å; I322-Q324 PolarHBondContact O-OE1 3.13Å
323	G	95.1	Very high	95.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	90.6	-9.4	178.6	0	0	0	0	0	116.2	N251 F325 G326 L327	N251-G323 PolarHBondContact N-O 2.96Å; G323-F325 PolarHBondContact O-N 2.7Å; G323-G326 PolarHBondContact O-N 2.66Å; G323-L327 WeakPolarHBondContact CA-O 3.23Å; G323-L327 PolarHBondContact N-O 2.86Å
324	Q	96.1	Very high	95	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	2%	0.024	C	C	.	.	B	Isolated β-bridge	trans	-53.8	132.3	171.2	-76.5	59.5	44.2	0	0	110.5	H245 T247 S249 H321 I322 G326 L327 F337	H245-Q324 PolarHBondContact O-NE2 2.76Å; T247-Q324 PolarHBondContact OG1-NE2 3.35Å; S249-Q324 CarbonylContact O-C 3.57Å; S249-Q324 WeakPolarHBondContact O-CA 3.23Å; H321-Q324 HydrophobicContact CB-CB 4.19Å; I322-Q324 VanDerWaalsContact C-OE1 3.28Å; I322-Q324 PolarHBondContact O-OE1 3.13Å; Q324-G326 PolarHBondContact O-N 3.01Å; Q324-L327 WeakPolarHBondContact O-CB 3.4Å; Q324-L327 VanDerWaalsContact O-CG 3.24Å; Q324-L327 WeakPolarHBondContact O-CG 3.31Å; Q324-L327 PolarHBondContact O-N 2.87Å; Q324-F337 HydrophobicContact CB-CD1 4.17Å; Q324-F337 HydrophobicContact CB-CE1 3.69Å; Q324-F337 HydrophobicContact CB-CE2 4.36Å; Q324-F337 HydrophobicContact CB-CZ 3.78Å; Q324-F337 HydrophobicContact CG-CD1 3.88Å; Q324-F337 HydrophobicContact CG-CE1 3.91Å; Q324-F337 HydrophobicContact CG-CG 4.31Å; Q324-F337 HydrophobicContact CG-CZ 4.39Å
325	F	95.3	Very high	94.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	27.1	-173.9	-56.2	-54.6	0	0	0	115.2	S249 Y252 K258 M262 T265 G323 L327 Y335 F337 Y806 Q807 L808	S249-F325 PolarHBondContact O-N 3.19Å; Y252-F325 HydrophobicContact CD1-CD1 4.08Å; Y252-F325 HydrophobicContact CD1-CE1 4.14Å; Y252-F325 VanDerWaalsContact O-CA 3.31Å; Y252-F325 WeakPolarHBondContact O-CA 3.37Å; K258-F325 HydrophobicContact CD-CD1 4.49Å; K258-F325 HydrophobicContact CD-CE1 4.37Å; K258-F325 HydrophobicContact CD-CZ 4.44Å; M262-F325 HydrophobicContact SD-CB 3.97Å; T265-F325 VanDerWaalsContact CG2-O 3.23Å; T265-F325 WeakPolarHBondContact CG2-O 3.16Å; G323-F325 PolarHBondContact O-N 2.7Å; F325-L327 VanDerWaalsContact C-N 3.31Å; F325-Y335 HydrophobicContact CD2-CD2 4.01Å; F325-Y335 AromaticContact CD2-CE2 3.81Å; F325-Y335 HydrophobicContact CD2-CE2 3.81Å; F325-Y335 HydrophobicContact CE2-CD1 4.34Å; F325-Y335 AromaticContact CE2-CD2 3.81Å; F325-Y335 HydrophobicContact CE2-CD2 3.81Å; F325-Y335 HydrophobicContact CE2-CE1 4.37Å; F325-Y335 AromaticContact CE2-CE2 3.81Å; F325-Y335 HydrophobicContact CE2-CE2 3.81Å; F325-Y335 HydrophobicContact CE2-CG 4.07Å; F325-F337 HydrophobicContact CD2-CE1 4Å; F325-F337 HydrophobicContact CD2-CZ 4.01Å; F325-F337 AromaticContact CE2-CE1 3.76Å; F325-F337 HydrophobicContact CE2-CE1 3.76Å; F325-F337 HydrophobicContact CE2-CZ 4.16Å; F325-Y806 WeakPolarHBondContact CZ-O 3.37Å; F325-Q807 HydrophobicContact CZ-CB 4.35Å; F325-Q807 WeakPolarHBondContact CZ-O 2.97Å; F325-L808 HydrophobicContact CE1-CD2 4.21Å
326	G	93.5	Very high	94.8	Very high	5 Å²	5	4.6 Å²	4.6	5%	0.052	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	3.2	-176.6	0	0	0	0	0	114.9	G323 Q324 V328	G323-G326 PolarHBondContact O-N 2.66Å; Q324-G326 PolarHBondContact O-N 3.01Å; G326-V328 PolarHBondContact O-N 3.26Å; G326-V328 VanDerWaalsContact O-N 3.09Å
327	L	93.7	Very high	94.6	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.			trans	-78.8	90.5	-177.2	-55.8	167.2	0	0	0	111	I261 M262 T265 H321 G323 Q324 F325 K329 M333 T767	I261-L327 HydrophobicContact CG2-CD2 4.25Å; M262-L327 HydrophobicContact CE-CD1 3.68Å; M262-L327 HydrophobicContact CE-CD2 3.98Å; M262-L327 HydrophobicContact CE-CG 4.32Å; M262-L327 HydrophobicContact SD-CD1 3.88Å; M262-L327 HydrophobicContact SD-CD2 3.96Å; M262-L327 HydrophobicContact SD-CG 4.1Å; T265-L327 HydrophobicContact CG2-CD2 4.28Å; H321-L327 WeakPolarHBondContact CD2-CB 3.41Å; G323-L327 WeakPolarHBondContact CA-O 3.23Å; G323-L327 PolarHBondContact N-O 2.86Å; Q324-L327 WeakPolarHBondContact O-CB 3.4Å; Q324-L327 VanDerWaalsContact O-CG 3.24Å; Q324-L327 WeakPolarHBondContact O-CG 3.31Å; Q324-L327 PolarHBondContact O-N 2.87Å; F325-L327 VanDerWaalsContact C-N 3.31Å; L327-K329 PolarHBondContact O-N 2.76Å; L327-K329 VanDerWaalsContact O-N 3.12Å; L327-M333 HydrophobicContact CD1-CE 4.11Å; L327-M333 HydrophobicContact CD1-CG 3.95Å; L327-M333 HydrophobicContact CD2-CE 4.28Å; L327-T767 HydrophobicContact CB-CG2 4.35Å
328	V	93.2	Very high	94.6	Very high	5 Å²	5	4.9 Å²	4.9	3%	0.03	3%	0.027	C	C	.	.			trans	-42	-51.7	-172.9	-170.7	0	0	0	0	114.7	M268 H272 F275 T276 G326 F763 A765 T767	M268-V328 HydrophobicContact SD-CG2 4.2Å; H272-V328 HydrophobicContact CB-CG1 4.04Å; H272-V328 HydrophobicContact CB-CG2 3.9Å; H272-V328 WeakPolarHBondContact ND1-CG2 3.46Å; F275-V328 HydrophobicContact CD1-CG1 3.77Å; F275-V328 HydrophobicContact CE1-CG1 4.2Å; T276-V328 HydrophobicContact CG2-CG1 4.32Å; T276-V328 WeakPolarHBondContact CG2-O 3.48Å; G326-V328 PolarHBondContact O-N 3.26Å; G326-V328 VanDerWaalsContact O-N 3.09Å; V328-F763 HydrophobicContact CG1-CE2 4.14Å; V328-F763 HydrophobicContact CG1-CZ 4.38Å; V328-A765 HydrophobicContact CB-CB 3.98Å; V328-A765 HydrophobicContact CG1-CB 4.44Å; V328-A765 HydrophobicContact CG2-CB 4.05Å; V328-T767 HydrophobicContact CB-CG2 4.32Å
329	K	92.1	Very high	94.7	Very high	22 Å²	22	4.9 Å²	4.9	10%	0.096	3%	0.027	C	C	.	.	S	Bend	trans	-152.3	147.7	164.8	81.9	-173.7	-125.1	161.3	0	111.4	E229 F275 L279 Y320 H321 L327 T767	E229-K329 IonicContact OE1-NZ 3.56Å; E229-K329 PolarHBondContact OE1-NZ 3.21Å; E229-K329 IonicContact OE2-NZ 3.46Å; F275-K329 HydrophobicContact CE1-CD 3.7Å; F275-K329 HydrophobicContact CE1-CG 4.41Å; F275-K329 HydrophobicContact CZ-CD 3.92Å; L279-K329 HydrophobicContact CD1-CD 4.31Å; L279-K329 HydrophobicContact CD2-CB 3.49Å; L279-K329 VanDerWaalsContact CD2-CB 3.49Å; L279-K329 HydrophobicContact CD2-CD 3.73Å; L279-K329 HydrophobicContact CD2-CG 4.24Å; Y320-K329 HydrophobicContact CE1-CB 4.37Å; H321-K329 WeakPolarHBondContact O-CA 3.09Å; L327-K329 PolarHBondContact O-N 2.76Å; L327-K329 VanDerWaalsContact O-N 3.12Å; K329-T767 WeakPolarHBondContact O-CB 3.45Å; K329-T767 PolarHBondContact O-OG1 2.69Å
330	G	91.4	Very high	94.7	Very high	11 Å²	11	7.5 Å²	7.5	11%	0.113	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	163.7	-161.6	173	0	0	0	0	0	115.1	Y320 H321	Y320-G330 WeakPolarHBondContact CD2-O 3.31Å; Y320-G330 WeakPolarHBondContact CE2-O 3.39Å; Y320-G330 VanDerWaalsContact CG-O 3.24Å; H321-G330 PolarHBondContact CD2-N 2.83Å; H321-G330 PolarHBondContact N-O 2.91Å; H321-G330 PolarHBondContact ND1-O 3.49Å; H321-G330 VanDerWaalsContact NE2-C 3.34Å; H321-G330 VanDerWaalsContact NE2-CA 3.33Å; H321-G330 WeakPolarHBondContact NE2-CA 3.37Å; H321-G330 PolarHBondContact O-N 2.8Å
331	K	91.7	Very high	94.8	Very high	31 Å²	31	7.2 Å²	7.2	14%	0.135	4%	0.036	C	C	.	.			trans	-152.3	-168.8	179.1	52.2	-170.9	164.9	-154.9	0	108	D53 C88 H226 H318 Y320 H321 D338	D53-K331 IonicContact OD1-NZ 2.77Å; D53-K331 PolarHBondContact OD1-NZ 3.11Å; D53-K331 IonicContact OD2-NZ 2.67Å; D53-K331 PolarHBondContact OD2-NZ 3.41Å; C88-K331 PolarHBondContact SG-NZ 3.13Å; H226-K331 PolarHBondContact CD2-NZ 3.46Å; H226-K331 PolarHBondContact NE2-NZ 2.72Å; H318-K331 WeakPolarHBondContact CE1-CD 3.47Å; Y320-K331 HydrophobicContact CD2-CB 4.21Å; H321-K331 VanDerWaalsContact CE1-CA 3.48Å; H321-K331 WeakPolarHBondContact CE1-CA 3.28Å; H321-K331 PolarHBondContact CE1-N 2.8Å; H321-K331 PolarHBondContact CE1-O 3Å; H321-K331 VanDerWaalsContact CE1-O 3.31Å; K331-D338 VanDerWaalsContact CA-OD2 3.23Å; K331-D338 WeakPolarHBondContact CA-OD2 3.48Å
332	S	92	Very high	94.9	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.014	4%	0.037	C	C	.	.			trans	80	11.5	170.8	77.8	0	0	0	0	118.2	P86 M87 D338 R416 S768 Y774	P86-S332 VanDerWaalsContact O-CA 3.27Å; P86-S332 WeakPolarHBondContact O-CA 3.3Å; P86-S332 PolarHBondContact O-N 3.4Å; M87-S332 VanDerWaalsContact SD-CB 3.51Å; S332-D338 PolarHBondContact N-OD2 3.44Å; S332-R416 VanDerWaalsContact CB-NH1 3.34Å; S332-R416 WeakPolarHBondContact O-CD 3.34Å; S332-R416 PolarHBondContact O-NH1 3.18Å; S332-R416 PolarHBondContact OG-NH1 3.32Å; S332-R416 PolarHBondContact OG-NH2 3.13Å; S332-S768 PolarHBondContact OG-OG 3.45Å; S332-Y774 WeakPolarHBondContact O-CE1 3.44Å; S332-Y774 PolarHBondContact O-OH 2.96Å
333	M	94.2	Very high	95.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.			trans	-92.9	157.1	171.5	-53	-49.7	170.7	0	0	111.1	P86 I261 M262 L327 Y335 F337 D338 T767 Y774	P86-M333 WeakPolarHBondContact CG-O 3.39Å; I261-M333 HydrophobicContact CD1-CE 4.19Å; I261-M333 HydrophobicContact CG2-CE 4.3Å; M262-M333 HydrophobicContact CE-CE 3.7Å; M262-M333 HydrophobicContact CE-CG 3.91Å; M262-M333 HydrophobicContact CE-SD 3.46Å; M262-M333 WeakPolarHBondContact CE-SD 3.39Å; L327-M333 HydrophobicContact CD1-CE 4.11Å; L327-M333 HydrophobicContact CD1-CG 3.95Å; L327-M333 HydrophobicContact CD2-CE 4.28Å; M333-Y335 VanDerWaalsContact C-N 3.26Å; M333-Y335 HydrophobicContact CB-CD2 3.67Å; M333-Y335 HydrophobicContact CB-CE2 4.07Å; M333-Y335 PolarHBondContact O-N 3.31Å; M333-F337 HydrophobicContact CB-CE2 4.32Å; M333-D338 WeakPolarHBondContact CB-OD2 3.38Å; M333-D338 PolarHBondContact N-OD2 2.8Å; M333-D338 VanDerWaalsContact O-CB 3.26Å; M333-D338 WeakPolarHBondContact O-CB 3.29Å; M333-T767 WeakPolarHBondContact CE-O 3.41Å; M333-Y774 VanDerWaalsContact C-OH 3.25Å; M333-Y774 PolarHBondContact O-OH 2.81Å
334	P	95.4	Very high	95.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-79.5	-4.8	-175.2	32.3	-36.5	0	0	0	114.7	I339 Y774 C776 C789 F791	P334-I339 WeakPolarHBondContact O-CD1 3.49Å; P334-Y774 HydrophobicContact CB-CD2 4.16Å; P334-Y774 HydrophobicContact CB-CE2 3.76Å; P334-C776 WeakPolarHBondContact CB-SG 3.48Å; P334-C789 VanDerWaalsContact CB-SG 3.57Å; P334-F791 HydrophobicContact CG-CZ 4.16Å
335	Y	96.7	Very high	95.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-76.8	152.7	-172.3	-51.2	-59.6	0	0	0	112.7	K258 H259 M262 F325 M333 F337 D338 I339 L787 E797 F799 Q807	K258-Y335 WeakPolarHBondContact CD-OH 3.27Å; H259-Y335 AromaticContact CE1-CZ 3.97Å; H259-Y335 PolarHBondContact CE1-OH 3.36Å; H259-Y335 PolarHBondContact ND1-OH 3.33Å; M262-Y335 HydrophobicContact CE-CE2 4.37Å; F325-Y335 HydrophobicContact CD2-CD2 4.01Å; F325-Y335 AromaticContact CD2-CE2 3.81Å; F325-Y335 HydrophobicContact CD2-CE2 3.81Å; F325-Y335 HydrophobicContact CE2-CD1 4.34Å; F325-Y335 AromaticContact CE2-CD2 3.81Å; F325-Y335 HydrophobicContact CE2-CD2 3.81Å; F325-Y335 HydrophobicContact CE2-CE1 4.37Å; F325-Y335 AromaticContact CE2-CE2 3.81Å; F325-Y335 HydrophobicContact CE2-CE2 3.81Å; F325-Y335 HydrophobicContact CE2-CG 4.07Å; M333-Y335 VanDerWaalsContact C-N 3.26Å; M333-Y335 HydrophobicContact CB-CD2 3.67Å; M333-Y335 HydrophobicContact CB-CE2 4.07Å; M333-Y335 PolarHBondContact O-N 3.31Å; Y335-F337 AromaticContact CD2-CE1 3.91Å; Y335-F337 HydrophobicContact CD2-CE1 3.91Å; Y335-F337 HydrophobicContact CD2-CE2 4.18Å; Y335-F337 AromaticContact CD2-CZ 3.45Å; Y335-F337 HydrophobicContact CD2-CZ 3.45Å; Y335-F337 VanDerWaalsContact CD2-CZ 3.45Å; Y335-F337 HydrophobicContact CE2-CZ 4.45Å; Y335-F337 HydrophobicContact CG-CE1 4.02Å; Y335-F337 AromaticContact CG-CZ 3.98Å; Y335-F337 HydrophobicContact CG-CZ 3.98Å; Y335-F337 PolarHBondContact O-N 2.84Å; Y335-D338 PolarHBondContact O-N 2.85Å; Y335-I339 PolarHBondContact O-N 2.84Å; Y335-L787 HydrophobicContact CD1-CD2 4.43Å; Y335-E797 PolarHBondContact OH-OE1 3.28Å; Y335-E797 PolarHBondContact OH-OE2 3.04Å; Y335-F799 HydrophobicContact CD1-CE2 4.31Å; Y335-F799 AromaticContact CE1-CE2 3.77Å; Y335-F799 HydrophobicContact CE1-CE2 3.77Å; Y335-F799 AromaticContact CE1-CZ 3.94Å; Y335-F799 HydrophobicContact CE1-CZ 3.94Å; Y335-Q807 HydrophobicContact CD1-CB 4.09Å; Y335-Q807 HydrophobicContact CD1-CG 4.27Å
336	D	95.9	Very high	95.3	Very high	7 Å²	7	10.2 Å²	10.2	4%	0.037	5%	0.048	C	C	.	.	H	α-helix	trans	-55	-29.6	-171.2	-82.5	28.2	0	0	0	113.7	D338 I339 R340 R778 L801	D336-D338 VanDerWaalsContact C-N 3.28Å; D336-D338 PolarHBondContact O-N 2.83Å; D336-I339 PolarHBondContact O-N 3.39Å; D336-R340 WeakPolarHBondContact O-CA 3.41Å; D336-R340 WeakPolarHBondContact O-CB 3.21Å; D336-R340 PolarHBondContact O-N 3.23Å; D336-R778 IonicContact OD1-CZ 2.63Å; D336-R778 IonicContact OD1-NE 2.66Å; D336-R778 PolarHBondContact OD1-NE 3.43Å; D336-R778 IonicContact OD1-NH2 3.41Å; D336-R778 IonicContact OD2-CZ 3.47Å; D336-R778 IonicContact OD2-NE 3.49Å; D336-R778 PolarHBondContact OD2-NE 2.85Å; D336-R778 IonicContact OD2-NH2 3.55Å; D336-R778 PolarHBondContact OD2-NH2 3.4Å; D336-L801 HydrophobicContact CB-CD2 4.46Å; D336-L801 WeakPolarHBondContact OD2-CD2 3.37Å
337	F	95.3	Very high	95.4	Very high	7 Å²	7	10.9 Å²	10.9	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-62.2	-28.8	174.8	55.7	-111.7	0	0	0	114.8	E57 G319 Y320 H321 Q324 F325 M333 Y335	E57-F337 HydrophobicContact CB-CB 4.14Å; E57-F337 HydrophobicContact CG-CB 4.26Å; G319-F337 CarbonylContact C-O 3.45Å; G319-F337 WeakPolarHBondContact CA-O 3.48Å; Y320-F337 PolarHBondContact N-O 3.07Å; H321-F337 HydrophobicContact CB-CD2 3.64Å; H321-F337 HydrophobicContact CB-CE2 3.55Å; H321-F337 HydrophobicContact CB-CZ 4.37Å; H321-F337 AromaticContact CG-CE2 3.88Å; H321-F337 AromaticContact ND1-CE2 3.66Å; Q324-F337 HydrophobicContact CB-CD1 4.17Å; Q324-F337 HydrophobicContact CB-CE1 3.69Å; Q324-F337 HydrophobicContact CB-CE2 4.36Å; Q324-F337 HydrophobicContact CB-CZ 3.78Å; Q324-F337 HydrophobicContact CG-CD1 3.88Å; Q324-F337 HydrophobicContact CG-CE1 3.91Å; Q324-F337 HydrophobicContact CG-CG 4.31Å; Q324-F337 HydrophobicContact CG-CZ 4.39Å; F325-F337 HydrophobicContact CD2-CE1 4Å; F325-F337 HydrophobicContact CD2-CZ 4.01Å; F325-F337 AromaticContact CE2-CE1 3.76Å; F325-F337 HydrophobicContact CE2-CE1 3.76Å; F325-F337 HydrophobicContact CE2-CZ 4.16Å; M333-F337 HydrophobicContact CB-CE2 4.32Å; Y335-F337 AromaticContact CD2-CE1 3.91Å; Y335-F337 HydrophobicContact CD2-CE1 3.91Å; Y335-F337 HydrophobicContact CD2-CE2 4.18Å; Y335-F337 AromaticContact CD2-CZ 3.45Å; Y335-F337 HydrophobicContact CD2-CZ 3.45Å; Y335-F337 VanDerWaalsContact CD2-CZ 3.45Å; Y335-F337 HydrophobicContact CE2-CZ 4.45Å; Y335-F337 HydrophobicContact CG-CE1 4.02Å; Y335-F337 AromaticContact CG-CZ 3.98Å; Y335-F337 HydrophobicContact CG-CZ 3.98Å; Y335-F337 PolarHBondContact O-N 2.84Å
338	D	96.4	Very high	95.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-96.4	-25.1	178.9	-91.7	4.8	0	0	0	112.2	P86 G319 Y320 H321 K331 S332 M333 Y335 D336	P86-D338 HydrophobicContact CB-CB 4.02Å; P86-D338 WeakPolarHBondContact CB-O 3.38Å; G319-D338 WeakPolarHBondContact CA-O 3.06Å; G319-D338 PolarHBondContact N-O 3.24Å; Y320-D338 WeakPolarHBondContact CA-OD1 3.47Å; H321-D338 IonicContact CE1-OD1 3.75Å; H321-D338 IonicContact CE1-OD2 2.92Å; H321-D338 PolarHBondContact CE1-OD2 3.19Å; H321-D338 IonicContact CG-OD1 3.7Å; H321-D338 PolarHBondContact N-OD1 3.27Å; H321-D338 VanDerWaalsContact ND1-CG 3.3Å; H321-D338 IonicContact ND1-OD1 3.35Å; H321-D338 PolarHBondContact ND1-OD1 3.36Å; H321-D338 IonicContact ND1-OD2 3.19Å; H321-D338 PolarHBondContact ND1-OD2 2.94Å; K331-D338 VanDerWaalsContact CA-OD2 3.23Å; K331-D338 WeakPolarHBondContact CA-OD2 3.48Å; S332-D338 PolarHBondContact N-OD2 3.44Å; M333-D338 WeakPolarHBondContact CB-OD2 3.38Å; M333-D338 PolarHBondContact N-OD2 2.8Å; M333-D338 VanDerWaalsContact O-CB 3.26Å; M333-D338 WeakPolarHBondContact O-CB 3.29Å; Y335-D338 PolarHBondContact O-N 2.85Å; D336-D338 VanDerWaalsContact C-N 3.28Å; D336-D338 PolarHBondContact O-N 2.83Å
339	I	97.3	Very high	95.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-106.3	-21.8	-174.4	66.6	161	0	0	0	115.1	F82 V83 P86 P334 Y335 D336 V414	F82-I339 CarbonylContact C-O 3.55Å; F82-I339 VanDerWaalsContact CA-O 3.24Å; F82-I339 WeakPolarHBondContact CA-O 3.33Å; F82-I339 HydrophobicContact CD1-CD1 4.03Å; F82-I339 HydrophobicContact CD1-CG1 4.04Å; F82-I339 HydrophobicContact CE1-CD1 4.44Å; V83-I339 HydrophobicContact CG2-CB 4.33Å; V83-I339 WeakPolarHBondContact CG2-O 3.17Å; V83-I339 PolarHBondContact N-O 3.14Å; P86-I339 HydrophobicContact CB-CG2 4.01Å; P86-I339 HydrophobicContact CG-CG2 3.94Å; P334-I339 WeakPolarHBondContact O-CD1 3.49Å; Y335-I339 PolarHBondContact O-N 2.84Å; D336-I339 PolarHBondContact O-N 3.39Å; I339-V414 HydrophobicContact CD1-CG2 3.8Å; I339-V414 HydrophobicContact CG2-CG1 3.84Å
340	R	97.4	Very high	95.2	Very high	55 Å²	55	17.6 Å²	17.6	21%	0.208	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-85.9	137.2	177.7	-161.7	-172.9	-166.5	169.5	8.9	109.5	V56 E57 I79 A81 F82 D336	V56-R340 HydrophobicContact CG2-CG 4.27Å; E57-R340 WeakPolarHBondContact OE1-CD 3.42Å; E57-R340 IonicContact OE1-CZ 2.87Å; E57-R340 IonicContact OE1-NE 3.27Å; E57-R340 IonicContact OE1-NH1 2.83Å; E57-R340 PolarHBondContact OE1-NH1 2.91Å; I79-R340 PolarHBondContact O-NE 2.91Å; I79-R340 PolarHBondContact O-NH2 2.91Å; A81-R340 WeakPolarHBondContact O-CG 3.36Å; F82-R340 HydrophobicContact CD1-CB 3.89Å; F82-R340 HydrophobicContact CD1-CG 4.08Å; F82-R340 HydrophobicContact CE1-CB 3.77Å; F82-R340 HydrophobicContact CE1-CG 3.74Å; F82-R340 HydrophobicContact CZ-CG 4.16Å; D336-R340 WeakPolarHBondContact O-CA 3.41Å; D336-R340 WeakPolarHBondContact O-CB 3.21Å; D336-R340 PolarHBondContact O-N 3.23Å
341	V	97.9	Very high	95.2	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.036	11%	0.106	C	C	.	.			trans	-131.7	151	-176	-70.3	0	0	0	0	111	A81 V83 A316	A81-V341 HydrophobicContact CB-CG2 4.41Å; A81-V341 PolarHBondContact O-N 2.9Å; V83-V341 HydrophobicContact CG1-CG1 3.72Å; V83-V341 HydrophobicContact CG1-CG2 4.13Å; A316-V341 HydrophobicContact CB-CB 4.04Å; A316-V341 HydrophobicContact CB-CG1 3.88Å
342	P	97.4	Very high	95.4	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.026	13%	0.127	C	C	.	.			trans	-59.2	141.7	167.2	27.6	-36.3	0	0	0	109.6	Q54 V56 L61 Y314 T315 A316 F344	Q54-P342 HydrophobicContact CG-CG 4.44Å; V56-P342 VanDerWaalsContact CG2-N 3.32Å; L61-P342 HydrophobicContact CD1-CB 3.89Å; L61-P342 HydrophobicContact CD2-CB 3.88Å; L61-P342 HydrophobicContact CG-CB 4.06Å; Y314-P342 HydrophobicContact CD1-CB 4.49Å; Y314-P342 HydrophobicContact CE1-CB 4.21Å; Y314-P342 HydrophobicContact CE1-CG 4.13Å; T315-P342 VanDerWaalsContact CA-O 3.28Å; T315-P342 WeakPolarHBondContact CA-O 3.02Å; T315-P342 PolarHBondContact OG1-O 3.42Å; A316-P342 HydrophobicContact CB-CG 3.97Å; P342-F344 HydrophobicContact CB-CE2 4.38Å
343	F	98	Very high	95.5	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	118.7	171.9	-166.4	-75.5	0	0	0	111.4	F78 A81 I313 Y314 L345 V360 L365 I386	F78-F343 HydrophobicContact CB-CB 4.26Å; F78-F343 HydrophobicContact CB-CD1 3.93Å; F78-F343 HydrophobicContact CB-CG 4.44Å; F78-F343 AromaticContact CD2-CD1 3.64Å; F78-F343 HydrophobicContact CD2-CD1 3.64Å; F78-F343 AromaticContact CD2-CE1 3.97Å; F78-F343 HydrophobicContact CD2-CE1 3.97Å; F78-F343 HydrophobicContact CE2-CD1 4.42Å; F78-F343 HydrophobicContact CE2-CE1 4.32Å; F78-F343 AromaticContact CG-CD1 3.97Å; F78-F343 HydrophobicContact CG-CD1 3.97Å; F78-F343 HydrophobicContact CG-CE1 4.47Å; F78-F343 PolarHBondContact N-O 2.89Å; A81-F343 HydrophobicContact CB-CB 3.25Å; A81-F343 HydrophobicContact CB-CD2 4.43Å; A81-F343 HydrophobicContact CB-CG 4.03Å; I313-F343 HydrophobicContact CG2-CE1 4.34Å; I313-F343 HydrophobicContact CG2-CE2 4.23Å; I313-F343 HydrophobicContact CG2-CZ 3.8Å; Y314-F343 WeakPolarHBondContact O-CA 3.48Å; F343-L345 HydrophobicContact CE1-CB 4.36Å; F343-V360 HydrophobicContact CD1-CG1 4.3Å; F343-V360 HydrophobicContact CD2-CG1 3.98Å; F343-V360 HydrophobicContact CE1-CG1 4.19Å; F343-V360 HydrophobicContact CE2-CG1 3.83Å; F343-V360 HydrophobicContact CG-CG1 4.21Å; F343-V360 HydrophobicContact CZ-CG1 3.97Å; F343-L365 HydrophobicContact CE2-CD2 3.72Å; F343-L365 HydrophobicContact CE2-CG 4.37Å; F343-L365 HydrophobicContact CZ-CD2 4.05Å; F343-I386 HydrophobicContact CE1-CD1 4.02Å; F343-I386 HydrophobicContact CE2-CD1 4.14Å; F343-I386 HydrophobicContact CZ-CD1 3.42Å; F343-I386 VanDerWaalsContact CZ-CD1 3.42Å
344	F	98.1	Very high	95.5	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.7	175	-52.2	-81	0	0	0	110.6	L61 M71 E72 S77 I313 Y314 P342	L61-F344 HydrophobicContact CD1-CE2 4.14Å; L61-F344 HydrophobicContact CD1-CZ 3.85Å; L61-F344 HydrophobicContact CD2-CE2 3.87Å; L61-F344 HydrophobicContact CD2-CZ 4.26Å; M71-F344 HydrophobicContact CB-CB 3.68Å; M71-F344 HydrophobicContact CB-CD1 4.38Å; M71-F344 HydrophobicContact CB-CD2 4.2Å; M71-F344 HydrophobicContact CB-CG 3.86Å; M71-F344 HydrophobicContact CE-CB 3.88Å; E72-F344 HydrophobicContact CB-CD1 4.23Å; E72-F344 HydrophobicContact CB-CE1 3.84Å; E72-F344 HydrophobicContact CG-CE1 4.24Å; S77-F344 VanDerWaalsContact OG-CD1 3.29Å; S77-F344 WeakPolarHBondContact OG-CD1 3.4Å; S77-F344 WeakPolarHBondContact OG-CE1 3.27Å; I313-F344 WeakPolarHBondContact CA-O 3.02Å; Y314-F344 AromaticContact CD1-CD2 3.78Å; Y314-F344 HydrophobicContact CD1-CD2 3.78Å; Y314-F344 HydrophobicContact CD1-CE2 4.2Å; Y314-F344 HydrophobicContact CG-CD2 4.28Å; Y314-F344 PolarHBondContact N-O 2.75Å; Y314-F344 PolarHBondContact O-N 2.92Å; P342-F344 HydrophobicContact CB-CE2 4.38Å
345	L	97.9	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.1	174.7	-178.3	53	0	0	0	108.8	G75 T76 F78 Y311 I313 F343 V350 I386 L387 L390	G75-L345 CarbonylContact C-O 3.57Å; G75-L345 WeakPolarHBondContact CA-O 3.48Å; T76-L345 PolarHBondContact N-O 2.78Å; T76-L345 PolarHBondContact O-N 3.02Å; F78-L345 HydrophobicContact CE2-CB 4.05Å; Y311-L345 HydrophobicContact CD1-CD1 4.05Å; I313-L345 HydrophobicContact CD1-CD1 4.37Å; I313-L345 HydrophobicContact CG1-CD1 3.84Å; F343-L345 HydrophobicContact CE1-CB 4.36Å; L345-V350 HydrophobicContact CG-CG2 4.33Å; L345-V350 VanDerWaalsContact O-CG1 3.31Å; L345-V350 WeakPolarHBondContact O-CG1 3.46Å; L345-I386 HydrophobicContact CD2-CG2 4.32Å; L345-L387 HydrophobicContact CD2-CD2 4.48Å; L345-L390 HydrophobicContact CD2-CD1 3.63Å; L345-L390 HydrophobicContact CG-CD1 4.29Å
346	R	96.7	Very high	95.4	Very high	45 Å²	45	32.3 Å²	32.3	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.6	172.2	174.3	167.9	-176.3	162.1	-1.2	108.9	I70 M71 G74 Y298 Y311 I312	I70-R346 WeakPolarHBondContact O-CD 3.42Å; I70-R346 PolarHBondContact O-NH1 2.8Å; M71-R346 HydrophobicContact CE-CB 4.08Å; M71-R346 HydrophobicContact SD-CB 4.29Å; G74-R346 WeakPolarHBondContact O-CD 3.28Å; G74-R346 VanDerWaalsContact O-CG 3.29Å; G74-R346 WeakPolarHBondContact O-CG 3.47Å; G74-R346 PolarHBondContact O-NE 2.81Å; Y298-R346 VanDerWaalsContact CE2-CZ 3.47Å; Y298-R346 PolarHBondContact OH-NH2 3.19Å; Y311-R346 CarbonylContact C-O 3.51Å; Y311-R346 VanDerWaalsContact CA-O 3.26Å; Y311-R346 WeakPolarHBondContact CA-O 3.04Å; I312-R346 PolarHBondContact N-O 2.83Å; I312-R346 PolarHBondContact O-N 3.35Å
347	G	94.9	Very high	95.3	Very high	19 Å²	19	35.5 Å²	35.5	20%	0.196	22%	0.216	C	C	.	.	S	Bend	trans	152.5	-166.4	173.2	0	0	0	0	0	114.5	T310 N349 V350	T310-G347 WeakPolarHBondContact O-CA 3.26Å; G347-N349 PolarHBondContact O-N 2.72Å; G347-V350 WeakPolarHBondContact O-CB 3.27Å; G347-V350 WeakPolarHBondContact O-CG2 3.44Å; G347-V350 PolarHBondContact O-N 2.78Å; G347-V350 VanDerWaalsContact O-N 3.16Å
348	P	92.3	Very high	95.2	Very high	29 Å²	29	38.7 Å²	38.7	19%	0.188	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	129.2	178.9	-15.4	18.1	0	0	0	113	P44 D308 Y311 V350	P44-P348 HydrophobicContact CB-CG 4.36Å; D308-P348 WeakPolarHBondContact O-CG 3.43Å; Y311-P348 HydrophobicContact CD2-CG 4.13Å; Y311-P348 HydrophobicContact CE2-CB 4.24Å; Y311-P348 HydrophobicContact CE2-CG 3.71Å; Y311-P348 PolarHBondContact OH-O 2.88Å; P348-V350 PolarHBondContact O-N 3.18Å
349	N	89	Confident	95.1	Very high	123 Å²	123	38.8 Å²	38.8	66%	0.658	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	26.6	-179.1	-34.5	-98.2	0	0	0	114.2	G347	G347-N349 PolarHBondContact O-N 2.72Å
350	V	93.1	Very high	95	Very high	15 Å²	15	38.8 Å²	38.8	9%	0.091	23%	0.232	C	C	.	.			trans	-104.5	123.7	170.1	-174.6	0	0	0	0	108	T76 Y311 L345 G347 P348 L390	T76-V350 WeakPolarHBondContact OG1-CG1 3.29Å; Y311-V350 HydrophobicContact CD1-CG2 4.22Å; Y311-V350 HydrophobicContact CE1-CG2 3.81Å; L345-V350 HydrophobicContact CG-CG2 4.33Å; L345-V350 VanDerWaalsContact O-CG1 3.31Å; L345-V350 WeakPolarHBondContact O-CG1 3.46Å; G347-V350 WeakPolarHBondContact O-CB 3.27Å; G347-V350 WeakPolarHBondContact O-CG2 3.44Å; G347-V350 PolarHBondContact O-N 2.78Å; G347-V350 VanDerWaalsContact O-N 3.16Å; P348-V350 PolarHBondContact O-N 3.18Å; V350-L390 HydrophobicContact CB-CD1 4.41Å; V350-L390 HydrophobicContact CG1-CD1 3.93Å; V350-L390 HydrophobicContact CG2-CD1 3.97Å
351	D	92.5	Very high	95.1	Very high	68 Å²	68	36.3 Å²	36.3	36%	0.364	22%	0.222	S	C	.	.			trans	-75	124.8	-176.5	-69.2	-49.4	0	0	0	110.3	G75 T76 A354 Q392	G75-D351 CarbonylContact C-O 3.43Å; G75-D351 VanDerWaalsContact O-O 3.07Å; T76-D351 PolarHBondContact OG1-O 2.9Å; D351-A354 HydrophobicContact CB-CB 4.02Å; D351-A354 VanDerWaalsContact O-CB 3.31Å; D351-A354 WeakPolarHBondContact O-CB 3.48Å; D351-Q392 VanDerWaalsContact CG-NE2 3.32Å; D351-Q392 PolarHBondContact OD1-NE2 3.15Å; D351-Q392 PolarHBondContact OD2-NE2 3.4Å
352	P	94.8	Very high	95.1	Very high	90 Å²	90	36.2 Å²	36.2	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	142.6	-175.8	31.6	-35.3	0	0	0	112.2	G75 A354	G75-P352 CarbonylContact O-C 3.59Å; G75-P352 WeakPolarHBondContact O-CA 3.44Å; P352-A354 PolarHBondContact O-N 3.17Å
353	G	94.3	Very high	95.1	Very high	47 Å²	47	36 Å²	36	49%	0.485	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	6.1	-175	0	0	0	0	0	113.8	E72 D73 G75	E72-G353 WeakPolarHBondContact O-CA 3.27Å; E72-G353 PolarHBondContact O-N 3.3Å; D73-G353 PolarHBondContact O-N 2.91Å; D73-G353 VanDerWaalsContact O-N 3.1Å; G75-G353 PolarHBondContact O-N 2.98Å
354	A	95	Very high	95.1	Very high	32 Å²	32	35.7 Å²	35.7	26%	0.264	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.1	-176.6	0	0	0	0	0	111.5	G75 T76 S77 D351 P352	G75-A354 PolarHBondContact O-N 2.93Å; T76-A354 CarbonylContact C-O 3.33Å; T76-A354 VanDerWaalsContact CA-O 3.31Å; T76-A354 WeakPolarHBondContact CA-O 3.19Å; T76-A354 HydrophobicContact CG2-CB 4.1Å; S77-A354 PolarHBondContact N-O 2.85Å; D351-A354 HydrophobicContact CB-CB 4.02Å; D351-A354 VanDerWaalsContact O-CB 3.31Å; D351-A354 WeakPolarHBondContact O-CB 3.48Å; P352-A354 PolarHBondContact O-N 3.17Å
355	V	95.4	Very high	95.1	Very high	98 Å²	98	35.3 Å²	35.3	59%	0.594	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.4	175.4	-179.5	0	0	0	0	109.3	I79	I79-V355 HydrophobicContact CD1-CG1 4.36Å; I79-V355 HydrophobicContact CG1-CG1 4.35Å; I79-V355 HydrophobicContact CG2-CG1 3.73Å
356	N	93.6	Very high	95.1	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.2	180	-164	-39.4	0	0	0	111.1	T76 S77 F78 I79 H358	T76-N356 HydrophobicContact CG2-CB 3.9Å; S77-N356 PolarHBondContact O-N 2.03Å; F78-N356 HydrophobicContact CD1-CB 3.7Å; F78-N356 HydrophobicContact CE1-CB 3.66Å; F78-N356 HydrophobicContact CG-CB 4.29Å; F78-N356 HydrophobicContact CZ-CB 4.21Å; I79-N356 PolarHBondContact N-O 2.81Å; N356-H358 WeakPolarHBondContact OD1-CB 3.35Å; N356-H358 PolarHBondContact OD1-N 2.73Å; N356-H358 PolarHBondContact OD1-ND1 2.83Å
357	P	93.3	Very high	95.1	Very high	73 Å²	73	33.1 Å²	33.1	47%	0.474	21%	0.209	S	C	.	.			trans	-85.3	-1.2	-178.6	34.4	-36.3	0	0	0	114.3	I79 N80	I79-P357 HydrophobicContact CD1-CB 4.2Å; I79-P357 HydrophobicContact CG1-CB 4.5Å; N80-P357 PolarHBondContact ND2-O 3.43Å
358	H	93.1	Very high	95.3	Very high	75 Å²	75	32.3 Å²	32.3	35%	0.347	20%	0.2	S	C	.	.	S	Bend	trans	-75.4	145.7	-176.2	-67.7	46.7	0	0	0	112	N356 V360 L389	N356-H358 WeakPolarHBondContact OD1-CB 3.35Å; N356-H358 PolarHBondContact OD1-N 2.73Å; N356-H358 PolarHBondContact OD1-ND1 2.83Å; H358-V360 PolarHBondContact O-N 2.99Å; H358-L389 HydrophobicContact CB-CD1 3.85Å; H358-L389 HydrophobicContact CB-CD2 4.04Å; H358-L389 VanDerWaalsContact CD2-CD2 3.45Å; H358-L389 WeakPolarHBondContact CD2-CD2 3.26Å
359	L	94.6	Very high	95.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	19%	0.191	C	C	.	.			trans	-65.6	113.4	-177.2	-71.1	173.8	0	0	0	113.2	N80 F82 W408 R409 D410 F412 I780	N80-L359 HydrophobicContact CB-CD2 4.06Å; N80-L359 WeakPolarHBondContact O-CA 3.46Å; F82-L359 HydrophobicContact CD2-CD2 4.08Å; F82-L359 HydrophobicContact CE2-CD2 3.8Å; L359-W408 PolarHBondContact O-NE1 3.37Å; L359-R409 HydrophobicContact CB-CG 4.15Å; L359-R409 HydrophobicContact CD1-CG 4.42Å; L359-R409 PolarHBondContact O-NH1 3.17Å; L359-D410 WeakPolarHBondContact CD1-O 3.26Å; L359-F412 HydrophobicContact CD1-CD1 4.18Å; L359-F412 HydrophobicContact CD2-CD1 4.43Å; L359-F412 HydrophobicContact CD2-CE1 4.14Å; L359-I780 HydrophobicContact CD1-CB 4.35Å; L359-I780 HydrophobicContact CD2-CB 3.81Å; L359-I780 HydrophobicContact CD2-CD1 3.81Å; L359-I780 HydrophobicContact CD2-CG1 3.95Å; L359-I780 HydrophobicContact CG-CB 4.28Å
360	V	96.8	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.5	174.3	168.4	0	0	0	0	110.3	F78 N80 A81 F82 F343 H358 I386 L389	F78-V360 HydrophobicContact CB-CG2 4.4Å; F78-V360 HydrophobicContact CD1-CB 4.4Å; F78-V360 HydrophobicContact CD1-CG2 3.37Å; F78-V360 HydrophobicContact CE1-CG2 3.81Å; F78-V360 HydrophobicContact CG-CG2 4.05Å; N80-V360 PolarHBondContact O-N 3.4Å; A81-V360 VanDerWaalsContact CA-O 3.32Å; A81-V360 WeakPolarHBondContact CA-O 3.44Å; A81-V360 HydrophobicContact CB-CB 4.39Å; F82-V360 PolarHBondContact N-O 2.72Å; F343-V360 HydrophobicContact CD1-CG1 4.3Å; F343-V360 HydrophobicContact CD2-CG1 3.98Å; F343-V360 HydrophobicContact CE1-CG1 4.19Å; F343-V360 HydrophobicContact CE2-CG1 3.83Å; F343-V360 HydrophobicContact CG-CG1 4.21Å; F343-V360 HydrophobicContact CZ-CG1 3.97Å; H358-V360 PolarHBondContact O-N 2.99Å; V360-I386 HydrophobicContact CG1-CD1 3.54Å; V360-I386 HydrophobicContact CG1-CG1 4.11Å; V360-I386 HydrophobicContact CG2-CD1 4.39Å; V360-I386 HydrophobicContact CG2-CG1 4.19Å; V360-I386 HydrophobicContact CG2-CG2 4.23Å; V360-L389 HydrophobicContact CG2-CD1 4.23Å
361	L	97.8	Very high	96	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.4	-178.6	-57.7	176	0	0	0	112.5	F82 T84 I363 D364 F412	F82-L361 HydrophobicContact CB-CD2 4.01Å; F82-L361 VanDerWaalsContact O-CA 3.31Å; F82-L361 WeakPolarHBondContact O-CA 3.42Å; T84-L361 HydrophobicContact CG2-CD1 4.37Å; L361-I363 HydrophobicContact CB-CD1 4.49Å; L361-I363 HydrophobicContact CB-CG1 3.67Å; L361-I363 HydrophobicContact CD1-CD1 3.99Å; L361-I363 HydrophobicContact CD1-CG1 4.08Å; L361-I363 PolarHBondContact O-N 3.44Å; L361-I363 VanDerWaalsContact O-N 3.14Å; L361-D364 PolarHBondContact N-OD2 3.29Å; L361-D364 VanDerWaalsContact O-CB 3.24Å; L361-D364 WeakPolarHBondContact O-CB 3.25Å; L361-D364 PolarHBondContact O-N 2.94Å; L361-F412 HydrophobicContact CD1-CB 3.69Å; L361-F412 HydrophobicContact CD1-CD2 4.21Å; L361-F412 HydrophobicContact CD1-CG 4.08Å; L361-F412 HydrophobicContact CD2-CB 4.17Å; L361-F412 HydrophobicContact CD2-CD1 3.99Å; L361-F412 HydrophobicContact CD2-CD2 3.41Å; L361-F412 VanDerWaalsContact CD2-CD2 3.41Å; L361-F412 HydrophobicContact CD2-CE1 4.18Å; L361-F412 HydrophobicContact CD2-CE2 3.65Å; L361-F412 HydrophobicContact CD2-CG 3.61Å; L361-F412 HydrophobicContact CD2-CZ 4.04Å; L361-F412 HydrophobicContact CG-CD2 4.47Å; L361-F412 HydrophobicContact CG-CG 4.45Å
362	N	97.9	Very high	96.1	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-50.4	-34.6	170	66.3	-19.5	0	0	0	113.9	F82 V83 T84 S91 M95 D364 L365	F82-N362 PolarHBondContact O-N 2.8Å; V83-N362 HydrophobicContact CB-CB 4.43Å; V83-N362 HydrophobicContact CG1-CB 4.09Å; T84-N362 WeakPolarHBondContact CG2-OD1 3.44Å; T84-N362 PolarHBondContact N-ND2 3.22Å; T84-N362 PolarHBondContact N-OD1 3.32Å; T84-N362 VanDerWaalsContact N-OD1 3.15Å; T84-N362 PolarHBondContact OG1-ND2 3.08Å; T84-N362 PolarHBondContact OG1-OD1 3.41Å; T84-N362 VanDerWaalsContact OG1-OD1 3.09Å; S91-N362 PolarHBondContact OG-ND2 3.32Å; M95-N362 HydrophobicContact CE-CB 3.75Å; M95-N362 HydrophobicContact CG-CB 3.74Å; N362-D364 PolarHBondContact O-N 3.06Å; N362-L365 PolarHBondContact O-N 3.22Å
363	I	97.9	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-68.5	-15.9	174.6	58.2	170	0	0	0	114.4	T84 G98 K99 Y100 L361 L365 P367 D382	T84-I363 HydrophobicContact CG2-CD1 4.2Å; T84-I363 HydrophobicContact CG2-CG1 4.21Å; T84-I363 HydrophobicContact CG2-CG2 4Å; G98-I363 WeakPolarHBondContact CA-O 3.33Å; K99-I363 VanDerWaalsContact O-CG2 3.24Å; K99-I363 WeakPolarHBondContact O-CG2 3.32Å; Y100-I363 HydrophobicContact CD2-CD1 3.93Å; Y100-I363 HydrophobicContact CE1-CD1 4.42Å; Y100-I363 HydrophobicContact CE2-CD1 3.35Å; L361-I363 HydrophobicContact CB-CD1 4.49Å; L361-I363 HydrophobicContact CB-CG1 3.67Å; L361-I363 HydrophobicContact CD1-CD1 3.99Å; L361-I363 HydrophobicContact CD1-CG1 4.08Å; L361-I363 PolarHBondContact O-N 3.44Å; L361-I363 VanDerWaalsContact O-N 3.14Å; I363-L365 VanDerWaalsContact C-N 3.34Å; I363-P367 WeakPolarHBondContact O-CD 3.32Å; I363-D382 HydrophobicContact CD1-CB 4.33Å
364	D	98.1	Very high	96	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-81.3	-15.2	179	-62.6	-32.6	0	0	0	112.6	L361 N362 P367 T368 G383 K384 I386 R409	L361-D364 PolarHBondContact N-OD2 3.29Å; L361-D364 VanDerWaalsContact O-CB 3.24Å; L361-D364 WeakPolarHBondContact O-CB 3.25Å; L361-D364 PolarHBondContact O-N 2.94Å; N362-D364 PolarHBondContact O-N 3.06Å; D364-P367 WeakPolarHBondContact O-CD 3.32Å; D364-P367 WeakPolarHBondContact O-CG 3.36Å; D364-T368 WeakPolarHBondContact O-CB 3.27Å; D364-T368 PolarHBondContact O-N 2.63Å; D364-T368 PolarHBondContact O-OG1 3.08Å; D364-G383 VanDerWaalsContact OD1-CA 3.26Å; D364-G383 WeakPolarHBondContact OD1-CA 3.35Å; D364-K384 VanDerWaalsContact CB-O 3.25Å; D364-K384 WeakPolarHBondContact CB-O 3.37Å; D364-K384 PolarHBondContact OD1-N 2.73Å; D364-I386 HydrophobicContact CB-CD1 3.93Å; D364-I386 HydrophobicContact CB-CG1 3.8Å; D364-R409 IonicContact OD1-CZ 2.87Å; D364-R409 IonicContact OD1-NH1 2.59Å; D364-R409 IonicContact OD1-NH2 3.61Å; D364-R409 PolarHBondContact OD1-NH2 3Å; D364-R409 IonicContact OD2-CZ 3.92Å; D364-R409 IonicContact OD2-NH1 3.47Å; D364-R409 PolarHBondContact OD2-NH1 2.89Å; D364-R409 IonicContact OD2-NH2 2.71Å; D364-R409 PolarHBondContact OD2-NH2 2.93Å
365	L	98.1	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-51.7	179.4	-74.4	171.1	0	0	0	112	L48 M95 I313 T315 F343 N362 I363 T368 I369	L48-L365 HydrophobicContact CD1-CD2 4.23Å; M95-L365 HydrophobicContact CB-CD1 4.3Å; M95-L365 HydrophobicContact CE-CD1 3.97Å; M95-L365 HydrophobicContact CG-CD1 3.94Å; M95-L365 HydrophobicContact SD-CD1 4.18Å; I313-L365 HydrophobicContact CD1-CD2 4.48Å; I313-L365 HydrophobicContact CG2-CD2 3.92Å; T315-L365 HydrophobicContact CG2-CD1 4.09Å; F343-L365 HydrophobicContact CE2-CD2 3.72Å; F343-L365 HydrophobicContact CE2-CG 4.37Å; F343-L365 HydrophobicContact CZ-CD2 4.05Å; N362-L365 PolarHBondContact O-N 3.22Å; I363-L365 VanDerWaalsContact C-N 3.34Å; L365-T368 PolarHBondContact O-N 3.29Å; L365-I369 WeakPolarHBondContact O-CB 3.28Å; L365-I369 VanDerWaalsContact O-CG1 3.25Å; L365-I369 WeakPolarHBondContact O-CG1 3.46Å; L365-I369 PolarHBondContact O-N 3.29Å
366	A	97.9	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.3	-56.1	178.6	0	0	0	0	0	113.2	F127 T368 I369 L370 M381	F127-A366 HydrophobicContact CB-CB 4.15Å; F127-A366 HydrophobicContact CD1-CB 4.06Å; A366-T368 VanDerWaalsContact C-N 3.25Å; A366-T368 PolarHBondContact O-N 3.39Å; A366-I369 PolarHBondContact O-N 3.41Å; A366-L370 VanDerWaalsContact O-CG 3.31Å; A366-L370 WeakPolarHBondContact O-CG 3.39Å; A366-L370 PolarHBondContact O-N 3.21Å; A366-M381 HydrophobicContact CB-CE 3.98Å; A366-M381 HydrophobicContact CB-SD 4.01Å
367	P	97.4	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-23.1	177.4	26.9	-35	0	0	0	113.5	I363 D364 H371 T377 M381	I363-P367 WeakPolarHBondContact O-CD 3.32Å; D364-P367 WeakPolarHBondContact O-CD 3.32Å; D364-P367 WeakPolarHBondContact O-CG 3.36Å; P367-H371 WeakPolarHBondContact O-CB 3.32Å; P367-H371 PolarHBondContact O-N 3.46Å; P367-H371 VanDerWaalsContact O-N 3.08Å; P367-T377 HydrophobicContact CB-CG2 3.67Å; P367-M381 HydrophobicContact CB-SD 4.39Å
368	T	97.4	Very high	95.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-70.2	-49.1	171.6	-58.5	0	0	0	0	111.4	D364 L365 A366 L370 H371 I372 I386 L387	D364-T368 WeakPolarHBondContact O-CB 3.27Å; D364-T368 PolarHBondContact O-N 2.63Å; D364-T368 PolarHBondContact O-OG1 3.08Å; L365-T368 PolarHBondContact O-N 3.29Å; A366-T368 VanDerWaalsContact C-N 3.25Å; A366-T368 PolarHBondContact O-N 3.39Å; T368-L370 VanDerWaalsContact C-N 3.32Å; T368-L370 PolarHBondContact O-N 2.94Å; T368-H371 PolarHBondContact O-N 3.19Å; T368-H371 VanDerWaalsContact O-N 3.14Å; T368-I372 HydrophobicContact CG2-CD1 3.97Å; T368-I372 HydrophobicContact CG2-CG1 4.5Å; T368-I372 VanDerWaalsContact O-CG1 3.31Å; T368-I372 WeakPolarHBondContact O-CG1 3.48Å; T368-I372 PolarHBondContact O-N 2.91Å; T368-I386 HydrophobicContact CG2-CB 4.09Å; T368-I386 HydrophobicContact CG2-CD1 4.44Å; T368-I386 WeakPolarHBondContact OG1-CG1 3.3Å; T368-I386 PolarHBondContact OG1-N 3.35Å; T368-L387 HydrophobicContact CG2-CG 4.39Å
369	I	98	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-40.2	177.6	-68.1	164.4	0	0	0	111	I46 L48 F127 L131 M217 I313 L365 A366 A373	I46-I369 HydrophobicContact CD1-CG2 4.03Å; I46-I369 HydrophobicContact CG2-CG1 4.32Å; L48-I369 HydrophobicContact CD2-CD1 4.35Å; F127-I369 HydrophobicContact CB-CG2 4.42Å; F127-I369 HydrophobicContact CD1-CD1 4.2Å; F127-I369 HydrophobicContact CD2-CD1 4.13Å; F127-I369 HydrophobicContact CD2-CG2 3.98Å; F127-I369 HydrophobicContact CE1-CD1 4.1Å; F127-I369 HydrophobicContact CE2-CD1 4.09Å; F127-I369 HydrophobicContact CG-CD1 4.22Å; F127-I369 HydrophobicContact CG-CG2 4.35Å; F127-I369 HydrophobicContact CZ-CD1 4.07Å; L131-I369 HydrophobicContact CD1-CG2 3.92Å; L131-I369 HydrophobicContact CD2-CG2 3.59Å; L131-I369 HydrophobicContact CG-CG2 4.44Å; M217-I369 HydrophobicContact CE-CD1 4.32Å; I313-I369 HydrophobicContact CD1-CG1 4.26Å; L365-I369 WeakPolarHBondContact O-CB 3.28Å; L365-I369 VanDerWaalsContact O-CG1 3.25Å; L365-I369 WeakPolarHBondContact O-CG1 3.46Å; L365-I369 PolarHBondContact O-N 3.29Å; A366-I369 PolarHBondContact O-N 3.41Å; I369-A373 WeakPolarHBondContact O-CB 3.43Å; I369-A373 PolarHBondContact O-N 2.7Å; I369-A373 VanDerWaalsContact O-N 3.1Å
370	L	97.1	Very high	95.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-47.7	172.3	-68.2	178.4	0	0	0	112.2	Y130 L131 A366 T368 I372 A373 G374 L375 P378 M381	Y130-L370 VanDerWaalsContact CB-CD2 3.49Å; Y130-L370 HydrophobicContact CD2-CD2 4.13Å; Y130-L370 HydrophobicContact CG-CD2 4.02Å; L131-L370 HydrophobicContact CD1-CD2 3.8Å; A366-L370 VanDerWaalsContact O-CG 3.31Å; A366-L370 WeakPolarHBondContact O-CG 3.39Å; A366-L370 PolarHBondContact O-N 3.21Å; T368-L370 VanDerWaalsContact C-N 3.32Å; T368-L370 PolarHBondContact O-N 2.94Å; L370-I372 PolarHBondContact O-N 3.26Å; L370-A373 CarbonylContact O-C 3.5Å; L370-A373 WeakPolarHBondContact O-CA 3.19Å; L370-A373 WeakPolarHBondContact O-CB 3.42Å; L370-A373 PolarHBondContact O-N 2.86Å; L370-A373 VanDerWaalsContact O-N 3.11Å; L370-G374 PolarHBondContact O-N 3.25Å; L370-L375 HydrophobicContact CB-CB 4.13Å; L370-L375 HydrophobicContact CD2-CB 4.23Å; L370-L375 HydrophobicContact CD2-CD1 3.65Å; L370-L375 WeakPolarHBondContact O-CB 3.27Å; L370-L375 PolarHBondContact O-N 3.05Å; L370-P378 HydrophobicContact CD1-CG 4.28Å; L370-M381 HydrophobicContact CD1-CE 3.72Å; L370-M381 HydrophobicContact CD1-SD 3.76Å
371	H	95.2	Very high	95.8	Very high	64 Å²	64	27 Å²	27	30%	0.296	17%	0.165	S	C	.	.	H	α-helix	trans	-64.7	-39.6	-179.3	-169.5	-159.8	0	0	0	112	P367 T368 A373 G374 S385 L387 E391	P367-H371 WeakPolarHBondContact O-CB 3.32Å; P367-H371 PolarHBondContact O-N 3.46Å; P367-H371 VanDerWaalsContact O-N 3.08Å; T368-H371 PolarHBondContact O-N 3.19Å; T368-H371 VanDerWaalsContact O-N 3.14Å; H371-A373 VanDerWaalsContact C-N 3.28Å; H371-A373 PolarHBondContact O-N 2.89Å; H371-G374 PolarHBondContact O-N 3.19Å; H371-S385 VanDerWaalsContact CB-OG 3.22Å; H371-S385 WeakPolarHBondContact CB-OG 3.42Å; H371-S385 PolarHBondContact ND1-OG 2.98Å; H371-L387 HydrophobicContact CB-CD1 4.4Å; H371-E391 IonicContact CE1-OE1 2.6Å; H371-E391 PolarHBondContact CE1-OE1 2.93Å
372	I	95.1	Very high	95.7	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-39.2	172.3	-64.7	163.1	0	0	0	111.1	P44 I46 Y311 I313 T368 L370 G374 L387	P44-I372 HydrophobicContact CG-CG2 3.55Å; I46-I372 HydrophobicContact CD1-CB 3.81Å; I46-I372 HydrophobicContact CD1-CG2 3.54Å; I46-I372 HydrophobicContact CG1-CB 4.38Å; I46-I372 HydrophobicContact CG1-CG2 3.62Å; Y311-I372 HydrophobicContact CD1-CD1 4.19Å; Y311-I372 HydrophobicContact CD2-CB 4.48Å; Y311-I372 HydrophobicContact CD2-CD1 4.33Å; Y311-I372 HydrophobicContact CD2-CG1 4.26Å; Y311-I372 HydrophobicContact CD2-CG2 3.37Å; Y311-I372 HydrophobicContact CE2-CG1 4.29Å; Y311-I372 HydrophobicContact CE2-CG2 3.61Å; Y311-I372 HydrophobicContact CG-CD1 3.99Å; Y311-I372 HydrophobicContact CG-CG1 4.35Å; Y311-I372 HydrophobicContact CG-CG2 4.1Å; I313-I372 HydrophobicContact CD1-CD1 4.46Å; T368-I372 HydrophobicContact CG2-CD1 3.97Å; T368-I372 HydrophobicContact CG2-CG1 4.5Å; T368-I372 VanDerWaalsContact O-CG1 3.31Å; T368-I372 WeakPolarHBondContact O-CG1 3.48Å; T368-I372 PolarHBondContact O-N 2.91Å; L370-I372 PolarHBondContact O-N 3.26Å; I372-G374 PolarHBondContact O-N 3.1Å; I372-L387 HydrophobicContact CG1-CD1 3.73Å; I372-L387 HydrophobicContact CG1-CD2 4.2Å; I372-L387 HydrophobicContact CG1-CG 4.18Å
373	A	94	Very high	95.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-2.2	175.6	0	0	0	0	0	114.4	R43 L131 Y136 I369 L370 H371	R43-A373 VanDerWaalsContact CD-O 3.3Å; R43-A373 WeakPolarHBondContact CD-O 3.2Å; R43-A373 PolarHBondContact NE-O 3.4Å; L131-A373 HydrophobicContact CD1-CB 3.89Å; L131-A373 HydrophobicContact CD2-CB 4.31Å; L131-A373 HydrophobicContact CG-CB 3.9Å; Y136-A373 HydrophobicContact CD2-CB 4.45Å; Y136-A373 HydrophobicContact CE2-CB 3.6Å; I369-A373 WeakPolarHBondContact O-CB 3.43Å; I369-A373 PolarHBondContact O-N 2.7Å; I369-A373 VanDerWaalsContact O-N 3.1Å; L370-A373 CarbonylContact O-C 3.5Å; L370-A373 WeakPolarHBondContact O-CA 3.19Å; L370-A373 WeakPolarHBondContact O-CB 3.42Å; L370-A373 PolarHBondContact O-N 2.86Å; L370-A373 VanDerWaalsContact O-N 3.11Å; H371-A373 VanDerWaalsContact C-N 3.28Å; H371-A373 PolarHBondContact O-N 2.89Å
374	G	92.7	Very high	95.4	Very high	65 Å²	65	28.8 Å²	28.8	67%	0.67	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	31	-175.9	0	0	0	0	0	113.7	L370 H371 I372	L370-G374 PolarHBondContact O-N 3.25Å; H371-G374 PolarHBondContact O-N 3.19Å; I372-G374 PolarHBondContact O-N 3.1Å
375	L	93.5	Very high	95.3	Very high	47 Å²	47	28.9 Å²	28.9	25%	0.246	17%	0.174	C	C	.	.			trans	-104.8	142.9	175.1	-76.5	174.7	0	0	0	112.1	L131 T134 L370	L131-L375 HydrophobicContact CD1-CD1 4.3Å; T134-L375 HydrophobicContact CG2-CD1 3.75Å; T134-L375 HydrophobicContact CG2-CD2 3.67Å; T134-L375 HydrophobicContact CG2-CG 3.93Å; L370-L375 HydrophobicContact CB-CB 4.13Å; L370-L375 HydrophobicContact CD2-CB 4.23Å; L370-L375 HydrophobicContact CD2-CD1 3.65Å; L370-L375 WeakPolarHBondContact O-CB 3.27Å; L370-L375 PolarHBondContact O-N 3.05Å
376	D	92.9	Very high	95.1	Very high	156 Å²	156	28.9 Å²	28.9	83%	0.834	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-62.7	142.7	165.5	-74.4	-55.2	0	0	0	111.2	P378	D376-P378 WeakPolarHBondContact O-CD 3.16Å
377	T	94.1	Very high	94.8	Very high	42 Å²	42	29.8 Å²	29.8	26%	0.258	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-75.6	123.4	173.9	-61.2	0	0	0	0	110.3	P367 M381	P367-T377 HydrophobicContact CB-CG2 3.67Å; T377-M381 HydrophobicContact CG2-CB 4.01Å; T377-M381 HydrophobicContact CG2-SD 4.23Å
378	P	94.9	Very high	94.4	Very high	18 Å²	18	35 Å²	35	12%	0.117	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-54.5	139	173.5	-27	34.2	0	0	0	112.1	Y130 L370 D376 D380 M381	Y130-P378 HydrophobicContact CE1-CG 4.13Å; Y130-P378 HydrophobicContact CE2-CG 3.95Å; L370-P378 HydrophobicContact CD1-CG 4.28Å; D376-P378 WeakPolarHBondContact O-CD 3.16Å; P378-D380 WeakPolarHBondContact CB-OD1 3.4Å; P378-D380 PolarHBondContact O-N 3.3Å; P378-D380 VanDerWaalsContact O-N 3.12Å; P378-M381 HydrophobicContact CB-CG 4.32Å; P378-M381 HydrophobicContact CG-CE 4.23Å; P378-M381 HydrophobicContact CG-SD 4.49Å; P378-M381 PolarHBondContact O-N 3.25Å
379	P	92.3	Very high	94	Very high	107 Å²	107	35.8 Å²	35.8	70%	0.695	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.9	-174.7	29.2	-36.3	0	0	0	113.5	G835	P379-G835 WeakPolarHBondContact O-CA 3.26Å
380	D	92.4	Very high	93.6	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.3	175.4	73.8	-44.5	0	0	0	113.7	K99 R125 P378	K99-D380 WeakPolarHBondContact CE-O 3.22Å; K99-D380 VanDerWaalsContact NZ-CG 3.32Å; K99-D380 PolarHBondContact NZ-O 2.73Å; K99-D380 IonicContact NZ-OD2 2.73Å; K99-D380 PolarHBondContact NZ-OD2 3Å; R125-D380 IonicContact NH1-OD2 2.71Å; R125-D380 PolarHBondContact NH1-OD2 2.73Å; R125-D380 VanDerWaalsContact NH1-OD2 3.14Å; P378-D380 WeakPolarHBondContact CB-OD1 3.4Å; P378-D380 PolarHBondContact O-N 3.3Å; P378-D380 VanDerWaalsContact O-N 3.12Å
381	M	96.6	Very high	92.7	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	23%	0.231	C	C	.	.			trans	-80.8	138.7	163.6	-67.3	-167.9	172.3	0	0	110.4	Y130 A366 P367 L370 T377 P378 G835 Y836	Y130-M381 HydrophobicContact CD2-CE 4.32Å; Y130-M381 HydrophobicContact CE2-CE 3.92Å; A366-M381 HydrophobicContact CB-CE 3.98Å; A366-M381 HydrophobicContact CB-SD 4.01Å; P367-M381 HydrophobicContact CB-SD 4.39Å; L370-M381 HydrophobicContact CD1-CE 3.72Å; L370-M381 HydrophobicContact CD1-SD 3.76Å; T377-M381 HydrophobicContact CG2-CB 4.01Å; T377-M381 HydrophobicContact CG2-SD 4.23Å; P378-M381 HydrophobicContact CB-CG 4.32Å; P378-M381 HydrophobicContact CG-CE 4.23Å; P378-M381 HydrophobicContact CG-SD 4.49Å; P378-M381 PolarHBondContact O-N 3.25Å; M381-G835 CarbonylContact O-C 3.5Å; M381-G835 WeakPolarHBondContact O-CA 3.48Å; M381-Y836 PolarHBondContact O-N 2.85Å
382	D	96.9	Very high	91	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.243	C	C	.	.			trans	-91	-25.6	-176.9	-58.1	-31.2	0	0	0	112.4	G98 K99 Y100 N103 I363 G835 Y836 C839 N840	G98-D382 PolarHBondContact O-N 3.22Å; K99-D382 VanDerWaalsContact CA-OD2 3.24Å; K99-D382 WeakPolarHBondContact CA-OD2 3.42Å; Y100-D382 HydrophobicContact CD2-CB 3.66Å; Y100-D382 HydrophobicContact CE2-CB 4.12Å; Y100-D382 PolarHBondContact N-OD2 2.84Å; N103-D382 PolarHBondContact ND2-OD1 2.91Å; N103-D382 PolarHBondContact ND2-OD2 3.36Å; I363-D382 HydrophobicContact CD1-CB 4.33Å; D382-G835 WeakPolarHBondContact OD1-CA 3.47Å; D382-G835 PolarHBondContact OD1-N 3.27Å; D382-Y836 WeakPolarHBondContact O-CA 3.47Å; D382-C839 HydrophobicContact CB-CB 3.84Å; D382-N840 PolarHBondContact O-ND2 2.95Å
383	G	95.4	Very high	88.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-74.8	176.4	177.6	0	0	0	0	0	115.1	G98 D364 Y836	G98-G383 PolarHBondContact O-N 3.19Å; D364-G383 VanDerWaalsContact OD1-CA 3.26Å; D364-G383 WeakPolarHBondContact OD1-CA 3.35Å; G383-Y836 WeakPolarHBondContact O-CB 3.5Å
384	K	93.3	Very high	86.6	Confident	43 Å²	43	58.4 Å²	58.4	19%	0.187	30%	0.302	C	S	.	.			trans	-128.6	143.1	174.7	-75.1	176.3	174.3	169.7	0	110.1	D364 I386 W408 N840	D364-K384 VanDerWaalsContact CB-O 3.25Å; D364-K384 WeakPolarHBondContact CB-O 3.37Å; D364-K384 PolarHBondContact OD1-N 2.73Å; K384-I386 PolarHBondContact O-N 3.31Å; K384-W408 HydrophobicContact CB-CH2 3.45Å; K384-W408 VanDerWaalsContact CB-CH2 3.45Å; K384-W408 HydrophobicContact CB-CZ2 4.2Å; K384-W408 HydrophobicContact CB-CZ3 3.82Å; K384-W408 HydrophobicContact CD-CE3 4.27Å; K384-W408 HydrophobicContact CD-CH2 4.26Å; K384-W408 HydrophobicContact CD-CZ3 3.98Å; K384-N840 HydrophobicContact CD-CB 4.15Å; K384-N840 WeakPolarHBondContact CD-OD1 3.46Å; K384-N840 VanDerWaalsContact CE-CG 3.47Å
385	S	95.1	Very high	84.2	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.021	31%	0.311	C	S	.	.			trans	-63.2	124.8	175.3	-179.9	0	0	0	0	112.4	H371 L387 K388	H371-S385 VanDerWaalsContact CB-OG 3.22Å; H371-S385 WeakPolarHBondContact CB-OG 3.42Å; H371-S385 PolarHBondContact ND1-OG 2.98Å; S385-L387 VanDerWaalsContact C-N 3.28Å; S385-L387 PolarHBondContact O-N 2.66Å; S385-K388 PolarHBondContact O-N 3.08Å
386	I	94.9	Very high	81.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.1	-179.1	-61.1	162.9	0	0	0	111.6	F78 F343 L345 V360 D364 T368 K384 K388 L389	F78-I386 HydrophobicContact CE1-CG2 3.78Å; F78-I386 HydrophobicContact CE2-CG2 4.27Å; F78-I386 HydrophobicContact CZ-CG2 3.53Å; F343-I386 HydrophobicContact CE1-CD1 4.02Å; F343-I386 HydrophobicContact CE2-CD1 4.14Å; F343-I386 HydrophobicContact CZ-CD1 3.42Å; F343-I386 VanDerWaalsContact CZ-CD1 3.42Å; L345-I386 HydrophobicContact CD2-CG2 4.32Å; V360-I386 HydrophobicContact CG1-CD1 3.54Å; V360-I386 HydrophobicContact CG1-CG1 4.11Å; V360-I386 HydrophobicContact CG2-CD1 4.39Å; V360-I386 HydrophobicContact CG2-CG1 4.19Å; V360-I386 HydrophobicContact CG2-CG2 4.23Å; D364-I386 HydrophobicContact CB-CD1 3.93Å; D364-I386 HydrophobicContact CB-CG1 3.8Å; T368-I386 HydrophobicContact CG2-CB 4.09Å; T368-I386 HydrophobicContact CG2-CD1 4.44Å; T368-I386 WeakPolarHBondContact OG1-CG1 3.3Å; T368-I386 PolarHBondContact OG1-N 3.35Å; K384-I386 PolarHBondContact O-N 3.31Å; I386-K388 PolarHBondContact O-N 3.11Å; I386-L389 HydrophobicContact CG2-CD1 4.37Å; I386-L389 VanDerWaalsContact O-CB 3.27Å; I386-L389 WeakPolarHBondContact O-CB 3.16Å; I386-L389 PolarHBondContact O-N 3.39Å
387	L	91.8	Very high	79.4	Confident	19 Å²	19	61.4 Å²	61.4	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-54	-29.2	178.4	-65	-171	0	0	0	112.6	Y311 L345 T368 H371 I372 S385 L389 L390 E391	Y311-L387 HydrophobicContact CE1-CD2 3.95Å; L345-L387 HydrophobicContact CD2-CD2 4.48Å; T368-L387 HydrophobicContact CG2-CG 4.39Å; H371-L387 HydrophobicContact CB-CD1 4.4Å; I372-L387 HydrophobicContact CG1-CD1 3.73Å; I372-L387 HydrophobicContact CG1-CD2 4.2Å; I372-L387 HydrophobicContact CG1-CG 4.18Å; S385-L387 VanDerWaalsContact C-N 3.28Å; S385-L387 PolarHBondContact O-N 2.66Å; L387-L389 PolarHBondContact O-N 3.12Å; L387-L389 VanDerWaalsContact O-N 3.16Å; L387-L390 CarbonylContact O-C 3.57Å; L387-L390 WeakPolarHBondContact O-CA 3.44Å; L387-L390 PolarHBondContact O-N 3.19Å; L387-E391 WeakPolarHBondContact O-CG 3.45Å; L387-E391 PolarHBondContact O-N 3.08Å
388	K	89.3	Confident	77.5	Confident	108 Å²	108	70.8 Å²	70.8	47%	0.47	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-24	177.5	-65.5	-179.2	177.5	-176.7	0	113.4	S385 I386 E391 K406 W408	S385-K388 PolarHBondContact O-N 3.08Å; I386-K388 PolarHBondContact O-N 3.11Å; K388-E391 WeakPolarHBondContact CA-OE1 3.49Å; K388-E391 WeakPolarHBondContact CG-OE1 3.46Å; K388-K406 WeakPolarHBondContact O-CD 3.44Å; K388-K406 WeakPolarHBondContact O-CE 3.33Å; K388-K406 PolarHBondContact O-NZ 2.92Å; K388-W408 HydrophobicContact CB-CZ3 4.41Å
389	L	89.3	Confident	75.6	Confident	18 Å²	18	79 Å²	79	9%	0.094	39%	0.388	C	S	.	.	H	α-helix	trans	-73.1	-44.6	171.4	-59.8	177.3	0	0	0	110.8	F78 H358 V360 I386 L387 K406 W408	F78-L389 HydrophobicContact CE1-CD1 3.9Å; H358-L389 HydrophobicContact CB-CD1 3.85Å; H358-L389 HydrophobicContact CB-CD2 4.04Å; H358-L389 VanDerWaalsContact CD2-CD2 3.45Å; H358-L389 WeakPolarHBondContact CD2-CD2 3.26Å; V360-L389 HydrophobicContact CG2-CD1 4.23Å; I386-L389 HydrophobicContact CG2-CD1 4.37Å; I386-L389 VanDerWaalsContact O-CB 3.27Å; I386-L389 WeakPolarHBondContact O-CB 3.16Å; I386-L389 PolarHBondContact O-N 3.39Å; L387-L389 PolarHBondContact O-N 3.12Å; L387-L389 VanDerWaalsContact O-N 3.16Å; L389-K406 PolarHBondContact O-NZ 3.07Å; L389-K406 VanDerWaalsContact O-NZ 3.11Å; L389-W408 HydrophobicContact CD1-CD2 4.38Å; L389-W408 HydrophobicContact CD1-CH2 4.46Å; L389-W408 HydrophobicContact CD1-CZ2 4.03Å; L389-W408 HydrophobicContact CD2-CB 4.33Å; L389-W408 HydrophobicContact CD2-CD2 3.61Å; L389-W408 HydrophobicContact CD2-CE3 3.74Å; L389-W408 HydrophobicContact CD2-CG 3.86Å; L389-W408 HydrophobicContact CD2-CZ3 4.28Å; L389-W408 HydrophobicContact CG-CD2 4.23Å; L389-W408 HydrophobicContact CG-CE3 4.25Å; L389-W408 HydrophobicContact CG-CH2 4.35Å; L389-W408 HydrophobicContact CG-CZ2 4.34Å; L389-W408 HydrophobicContact CG-CZ3 4.3Å
390	L	87.8	Confident	73.4	Confident	18 Å²	18	81.3 Å²	81.3	9%	0.094	39%	0.388	C	S	.	.	H	α-helix	trans	-80.9	-17.2	-177.1	-56.3	-176.6	0	0	0	114.9	T76 F78 L345 V350 L387 Q392	T76-L390 HydrophobicContact CG2-CD2 3.88Å; F78-L390 HydrophobicContact CZ-CD1 4.39Å; F78-L390 HydrophobicContact CZ-CD2 3.92Å; F78-L390 HydrophobicContact CZ-CG 4.24Å; L345-L390 HydrophobicContact CD2-CD1 3.63Å; L345-L390 HydrophobicContact CG-CD1 4.29Å; V350-L390 HydrophobicContact CB-CD1 4.41Å; V350-L390 HydrophobicContact CG1-CD1 3.93Å; V350-L390 HydrophobicContact CG2-CD1 3.97Å; L387-L390 CarbonylContact O-C 3.57Å; L387-L390 WeakPolarHBondContact O-CA 3.44Å; L387-L390 PolarHBondContact O-N 3.19Å; L390-Q392 PolarHBondContact O-N 3.47Å
391	E	79.4	Confident	71.1	Confident	96 Å²	96	85.4 Å²	85.4	45%	0.449	42%	0.417	S	S	.	.	S	Bend	trans	-55.3	95.8	173.4	-82.6	167.7	-140.1	0	0	110.6	H371 L387 K388 E393 K406	H371-E391 IonicContact CE1-OE1 2.6Å; H371-E391 PolarHBondContact CE1-OE1 2.93Å; L387-E391 WeakPolarHBondContact O-CG 3.45Å; L387-E391 PolarHBondContact O-N 3.08Å; K388-E391 WeakPolarHBondContact CA-OE1 3.49Å; K388-E391 WeakPolarHBondContact CG-OE1 3.46Å; E391-E393 PolarHBondContact O-N 3.26Å; E391-K406 PolarHBondContact O-NZ 2.8Å
392	Q	58.8	Low	68.6	Low	118 Å²	118	92.7 Å²	92.7	55%	0.551	46%	0.456	S	S	*	.			trans	-54.2	133	178.1	-68.8	-179.9	-9.8	0	0	110.5	D351 L390 R394	D351-Q392 VanDerWaalsContact CG-NE2 3.32Å; D351-Q392 PolarHBondContact OD1-NE2 3.15Å; D351-Q392 PolarHBondContact OD2-NE2 3.4Å; L390-Q392 PolarHBondContact O-N 3.47Å; Q392-R394 VanDerWaalsContact C-N 3.3Å; Q392-R394 PolarHBondContact O-N 2.56Å
393	E	50.8	Low	66.4	Low	112 Å²	112	100 Å²	100	52%	0.523	48%	0.483	S	S	.	.			trans	-68.5	89	174.2	-68.8	-144.7	165.6	0	0	110.2	E391 T395	E391-E393 PolarHBondContact O-N 3.26Å; E393-T395 PolarHBondContact O-N 2.71Å
394	R	47.2	Very low	64.2	Low	207 Å²	207	106.4 Å²	106.4	78%	0.781	51%	0.511	S	S	*	.			trans	-57.7	106.5	176.1	-79.1	-174.9	169.9	163.1	0.8	110	Q392 G396	Q392-R394 VanDerWaalsContact C-N 3.3Å; Q392-R394 PolarHBondContact O-N 2.56Å; R394-G396 PolarHBondContact O-N 2.6Å
395	T	42.1	Very low	62.5	Low	138 Å²	138	108.4 Å²	108.4	85%	0.847	53%	0.529	S	S	*	.			trans	-70.6	40.9	179.7	43.3	0	0	0	0	113.2	E393	E393-T395 PolarHBondContact O-N 2.71Å
396	G	42.5	Very low	61.1	Low	64 Å²	64	112.3 Å²	112.3	66%	0.66	55%	0.545	S	S	*	.			trans	-78.4	-19.5	-173.7	0	0	0	0	0	115.5	R394	R394-G396 PolarHBondContact O-N 2.6Å
397	N	42.6	Very low	60.1	Low	129 Å²	129	115.3 Å²	115.3	69%	0.69	56%	0.563	S	S	*	*			trans	-127.8	100.3	-178.6	-80.4	-13.1	0	0	0	111	F399	N397-F399 PolarHBondContact O-N 3.13Å
398	R	53.3	Low	60	Low	239 Å²	239	115.4 Å²	115.4	90%	0.902	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	2.1	175.6	-68.2	-176.4	176.7	177.8	-2.1	114.9
399	F	55.1	Low	60	Low	190 Å²	190	110.6 Å²	110.6	83%	0.833	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	22	-169.8	-66.4	-73.8	0	0	0	115	N397	N397-F399 PolarHBondContact O-N 3.13Å
400	K	45.8	Very low	60.2	Low	157 Å²	157	110.6 Å²	110.6	68%	0.683	54%	0.541	S	S	*	.			trans	-138.5	87	167.2	-71.5	-161	174.9	-167.6	0	110.9	N402	K400-N402 VanDerWaalsContact C-N 3.31Å; K400-N402 PolarHBondContact O-N 3.37Å
401	P	45.7	Very low	60.5	Low	130 Å²	130	110 Å²	110	84%	0.844	54%	0.538	S	S	*	.			trans	-69.3	-26.4	-177.7	27.4	-34.5	0	0	0	113.3
402	N	44.3	Very low	61.3	Low	157 Å²	157	105.4 Å²	105.4	84%	0.84	52%	0.517	S	S	*	.			trans	-98.7	92.5	175.3	-76	-14.6	0	0	0	111.3	K400	K400-N402 VanDerWaalsContact C-N 3.31Å; K400-N402 PolarHBondContact O-N 3.37Å
403	R	49.3	Very low	63.1	Low	153 Å²	153	99.8 Å²	99.8	58%	0.577	49%	0.49	S	S	*	.			trans	-104.7	132.9	154	-77.1	-176.7	166.8	178	-3.9	108
404	K	50.3	Low	65.3	Low	136 Å²	136	94.4 Å²	94.4	59%	0.591	47%	0.466	S	S	*	.			trans	-67.4	141.6	177.3	-63	-161.8	175.4	-149.9	0	109.2	T848	K404-T848 WeakPolarHBondContact CE-OG1 3.5Å; K404-T848 PolarHBondContact NZ-O 3.36Å; K404-T848 PolarHBondContact NZ-OG1 3.06Å
405	P	57.1	Low	67.6	Low	85 Å²	85	84.6 Å²	84.6	55%	0.552	43%	0.429	S	S	*	.			trans	-57.9	153.1	178.4	24.8	-34.7	0	0	0	111.4	V407	P405-V407 WeakPolarHBondContact O-CG2 3.23Å; P405-V407 PolarHBondContact O-N 3.16Å
406	K	65	Low	69.9	Low	84 Å²	84	78.8 Å²	78.8	37%	0.365	39%	0.391	S	S	.	.			trans	-61.7	102.2	179	-67.5	-174.8	-178.5	-174.4	0	110.4	K388 L389 E391 W408	K388-K406 WeakPolarHBondContact O-CD 3.44Å; K388-K406 WeakPolarHBondContact O-CE 3.33Å; K388-K406 PolarHBondContact O-NZ 2.92Å; L389-K406 PolarHBondContact O-NZ 3.07Å; L389-K406 VanDerWaalsContact O-NZ 3.11Å; E391-K406 PolarHBondContact O-NZ 2.8Å; K406-W408 PolarHBondContact O-N 3.32Å
407	V	74.9	Confident	71.7	Confident	63 Å²	63	76 Å²	76	38%	0.382	36%	0.363	S	S	.	.			trans	-72.4	87.3	-178.5	-171.2	0	0	0	0	111.1	P405 R842	P405-V407 WeakPolarHBondContact O-CG2 3.23Å; P405-V407 PolarHBondContact O-N 3.16Å; V407-R842 HydrophobicContact CG1-CB 4.03Å; V407-R842 HydrophobicContact CG1-CG 3.81Å
408	W	88.6	Confident	72.9	Confident	21 Å²	21	74.7 Å²	74.7	8%	0.08	35%	0.351	C	S	.	.			trans	-85.3	-177.7	169.4	-157.5	-111.9	0	0	0	111.8	L359 K384 K388 L389 K406 P843	L359-W408 PolarHBondContact O-NE1 3.37Å; K384-W408 HydrophobicContact CB-CH2 3.45Å; K384-W408 VanDerWaalsContact CB-CH2 3.45Å; K384-W408 HydrophobicContact CB-CZ2 4.2Å; K384-W408 HydrophobicContact CB-CZ3 3.82Å; K384-W408 HydrophobicContact CD-CE3 4.27Å; K384-W408 HydrophobicContact CD-CH2 4.26Å; K384-W408 HydrophobicContact CD-CZ3 3.98Å; K388-W408 HydrophobicContact CB-CZ3 4.41Å; L389-W408 HydrophobicContact CD1-CD2 4.38Å; L389-W408 HydrophobicContact CD1-CH2 4.46Å; L389-W408 HydrophobicContact CD1-CZ2 4.03Å; L389-W408 HydrophobicContact CD2-CB 4.33Å; L389-W408 HydrophobicContact CD2-CD2 3.61Å; L389-W408 HydrophobicContact CD2-CE3 3.74Å; L389-W408 HydrophobicContact CD2-CG 3.86Å; L389-W408 HydrophobicContact CD2-CZ3 4.28Å; L389-W408 HydrophobicContact CG-CD2 4.23Å; L389-W408 HydrophobicContact CG-CE3 4.25Å; L389-W408 HydrophobicContact CG-CH2 4.35Å; L389-W408 HydrophobicContact CG-CZ2 4.34Å; L389-W408 HydrophobicContact CG-CZ3 4.3Å; K406-W408 PolarHBondContact O-N 3.32Å; W408-P843 VanDerWaalsContact O-CD 3.26Å; W408-P843 WeakPolarHBondContact O-CD 3.23Å
409	R	91.1	Very high	73.1	Confident	8 Å²	8	66.7 Å²	66.7	3%	0.03	33%	0.325	C	S	.	.			trans	-89.5	145.4	173.1	77.7	178.5	76.6	96.3	-10.5	110.7	L359 D364 N840	L359-R409 HydrophobicContact CB-CG 4.15Å; L359-R409 HydrophobicContact CD1-CG 4.42Å; L359-R409 PolarHBondContact O-NH1 3.17Å; D364-R409 IonicContact OD1-CZ 2.87Å; D364-R409 IonicContact OD1-NH1 2.59Å; D364-R409 IonicContact OD1-NH2 3.61Å; D364-R409 PolarHBondContact OD1-NH2 3Å; D364-R409 IonicContact OD2-CZ 3.92Å; D364-R409 IonicContact OD2-NH1 3.47Å; D364-R409 PolarHBondContact OD2-NH1 2.89Å; D364-R409 IonicContact OD2-NH2 2.71Å; D364-R409 PolarHBondContact OD2-NH2 2.93Å; R409-N840 VanDerWaalsContact CZ-OD1 3.24Å; R409-N840 PolarHBondContact NE-OD1 3.47Å; R409-N840 PolarHBondContact NH2-OD1 2.93Å
410	D	92.6	Very high	72.9	Confident	18 Å²	18	63.7 Å²	63.7	10%	0.096	32%	0.317	C	S	.	.	S	Bend	trans	-112.4	-17	171.3	61.7	-22.8	0	0	0	113	L359 T779 I780 N781 P843	L359-D410 WeakPolarHBondContact CD1-O 3.26Å; D410-T779 CarbonylContact O-C 3.5Å; D410-T779 VanDerWaalsContact O-CA 3.27Å; D410-T779 WeakPolarHBondContact O-CA 3.3Å; D410-I780 PolarHBondContact O-N 3.23Å; D410-N781 HydrophobicContact CB-CB 4.03Å; D410-N781 PolarHBondContact OD2-ND2 3.3Å; D410-P843 HydrophobicContact CB-CB 4.3Å; D410-P843 HydrophobicContact CB-CG 4.03Å; D410-P843 WeakPolarHBondContact OD2-CA 3.37Å; D410-P843 WeakPolarHBondContact OD2-CB 3.43Å
411	T	94.3	Very high	72.6	Confident	4 Å²	4	67.3 Å²	67.3	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.5	175.5	-54.3	0	0	0	0	111.1	L777 R778 T779 Q826	T411-L777 HydrophobicContact CG2-CB 4.06Å; T411-L777 HydrophobicContact CG2-CD1 4.41Å; T411-L777 HydrophobicContact CG2-CD2 3.91Å; T411-L777 HydrophobicContact CG2-CG 4.34Å; T411-R778 WeakPolarHBondContact CA-O 3.34Å; T411-T779 WeakPolarHBondContact CG2-OG1 3.44Å; T411-T779 PolarHBondContact OG1-OG1 2.81Å; T411-Q826 PolarHBondContact OG1-NE2 2.86Å
412	F	96.3	Very high	72.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	166.3	169.4	71.1	-81.8	0	0	0	112.8	F82 L359 L361 V414 L777 R778	F82-F412 HydrophobicContact CB-CE1 4.2Å; F82-F412 HydrophobicContact CB-CE2 3.76Å; F82-F412 HydrophobicContact CB-CZ 3.35Å; F82-F412 AromaticContact CD1-CZ 3.93Å; F82-F412 HydrophobicContact CD1-CZ 3.93Å; F82-F412 AromaticContact CD2-CE1 3.83Å; F82-F412 HydrophobicContact CD2-CE1 3.83Å; F82-F412 AromaticContact CD2-CZ 3.76Å; F82-F412 HydrophobicContact CD2-CZ 3.76Å; F82-F412 HydrophobicContact CE2-CE1 4.37Å; F82-F412 AromaticContact CG-CE1 4Å; F82-F412 HydrophobicContact CG-CE1 4Å; F82-F412 HydrophobicContact CG-CE2 4.31Å; F82-F412 AromaticContact CG-CZ 3.42Å; F82-F412 HydrophobicContact CG-CZ 3.42Å; F82-F412 VanDerWaalsContact CG-CZ 3.42Å; L359-F412 HydrophobicContact CD1-CD1 4.18Å; L359-F412 HydrophobicContact CD2-CD1 4.43Å; L359-F412 HydrophobicContact CD2-CE1 4.14Å; L361-F412 HydrophobicContact CD1-CB 3.69Å; L361-F412 HydrophobicContact CD1-CD2 4.21Å; L361-F412 HydrophobicContact CD1-CG 4.08Å; L361-F412 HydrophobicContact CD2-CB 4.17Å; L361-F412 HydrophobicContact CD2-CD1 3.99Å; L361-F412 HydrophobicContact CD2-CD2 3.41Å; L361-F412 VanDerWaalsContact CD2-CD2 3.41Å; L361-F412 HydrophobicContact CD2-CE1 4.18Å; L361-F412 HydrophobicContact CD2-CE2 3.65Å; L361-F412 HydrophobicContact CD2-CG 3.61Å; L361-F412 HydrophobicContact CD2-CZ 4.04Å; L361-F412 HydrophobicContact CG-CD2 4.47Å; L361-F412 HydrophobicContact CG-CG 4.45Å; F412-V414 HydrophobicContact CD2-CG2 4.22Å; F412-V414 HydrophobicContact CE2-CG2 3.58Å; F412-V414 HydrophobicContact CZ-CG2 4.31Å; F412-L777 WeakPolarHBondContact O-CA 3.43Å; F412-R778 HydrophobicContact CD1-CB 4.05Å; F412-R778 HydrophobicContact CD1-CG 4.48Å; F412-R778 WeakPolarHBondContact CD1-O 3.32Å; F412-R778 HydrophobicContact CE1-CB 3.52Å; F412-R778 HydrophobicContact CE1-CG 3.57Å; F412-R778 HydrophobicContact CE2-CB 4.22Å; F412-R778 HydrophobicContact CZ-CB 3.6Å; F412-R778 HydrophobicContact CZ-CG 3.72Å; F412-R778 PolarHBondContact N-O 2.92Å; F412-R778 PolarHBondContact O-N 3.06Å
413	L	97.1	Very high	71.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.3	177.1	176.9	72.7	0	0	0	110.7	Y100 E415 W775 C776 L827 M830 R831	Y100-L413 HydrophobicContact CD1-CB 4.33Å; Y100-L413 HydrophobicContact CD1-CD2 4.11Å; Y100-L413 HydrophobicContact CE1-CB 3.7Å; Y100-L413 HydrophobicContact CE1-CD2 4.32Å; Y100-L413 HydrophobicContact CE1-CG 4.37Å; Y100-L413 WeakPolarHBondContact CE1-O 3.1Å; L413-E415 HydrophobicContact CD2-CB 4.31Å; L413-E415 HydrophobicContact CD2-CG 4.33Å; L413-E415 HydrophobicContact CG-CB 4.31Å; L413-W775 HydrophobicContact CD1-CB 4.17Å; L413-C776 CarbonylContact C-O 3.33Å; L413-C776 WeakPolarHBondContact CA-O 3.18Å; L413-L827 HydrophobicContact CD1-CD1 3.65Å; L413-M830 HydrophobicContact CB-CB 4.25Å; L413-M830 HydrophobicContact CB-CE 4.04Å; L413-R831 HydrophobicContact CD1-CG 4.04Å; L413-R831 HydrophobicContact CD2-CG 4.47Å
414	V	97.2	Very high	70.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.8	159	-179.4	0	0	0	0	107.6	T84 I339 F412 Y774 W775 C776	T84-V414 WeakPolarHBondContact O-CA 3.47Å; I339-V414 HydrophobicContact CD1-CG2 3.8Å; I339-V414 HydrophobicContact CG2-CG1 3.84Å; F412-V414 HydrophobicContact CD2-CG2 4.22Å; F412-V414 HydrophobicContact CE2-CG2 3.58Å; F412-V414 HydrophobicContact CZ-CG2 4.31Å; V414-Y774 HydrophobicContact CG1-CE2 4.24Å; V414-W775 CarbonylContact O-C 3.56Å; V414-W775 WeakPolarHBondContact O-CA 3.23Å; V414-C776 HydrophobicContact CB-CB 4.26Å; V414-C776 PolarHBondContact N-O 3.28Å; V414-C776 PolarHBondContact O-N 3.39Å
415	E	94.3	Very high	69.7	Low	1 Å²	1	67.3 Å²	67.3	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.5	179.5	65.2	178	150.5	0	0	114.3	T84 T85 V101 H102 L413	T84-E415 PolarHBondContact O-N 2.63Å; T85-E415 VanDerWaalsContact CB-O 3.27Å; T85-E415 WeakPolarHBondContact CB-O 3.48Å; T85-E415 PolarHBondContact OG1-O 2.69Å; V101-E415 WeakPolarHBondContact CA-OE1 3.23Å; V101-E415 HydrophobicContact CB-CG 3.9Å; V101-E415 WeakPolarHBondContact CB-OE1 3.45Å; V101-E415 HydrophobicContact CG2-CG 4.01Å; V101-E415 PolarHBondContact N-OE1 2.97Å; H102-E415 IonicContact CE1-OE1 3.49Å; H102-E415 IonicContact CG-OE1 2.9Å; H102-E415 IonicContact CG-OE2 3.73Å; H102-E415 PolarHBondContact N-OE1 3.3Å; H102-E415 IonicContact ND1-OE1 2.72Å; H102-E415 PolarHBondContact ND1-OE1 3.46Å; H102-E415 IonicContact ND1-OE2 3.37Å; H102-E415 PolarHBondContact ND1-OE2 3.43Å; L413-E415 HydrophobicContact CD2-CB 4.31Å; L413-E415 HydrophobicContact CD2-CG 4.33Å; L413-E415 HydrophobicContact CG-CB 4.31Å
416	R	90.7	Very high	68.7	Low	15 Å²	15	69 Å²	69	6%	0.057	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.7	175.4	-178	-172.8	173.2	-177.7	5.2	110.6	S332 S768 S769 N772 T773 Y774	S332-R416 VanDerWaalsContact CB-NH1 3.34Å; S332-R416 WeakPolarHBondContact O-CD 3.34Å; S332-R416 PolarHBondContact O-NH1 3.18Å; S332-R416 PolarHBondContact OG-NH1 3.32Å; S332-R416 PolarHBondContact OG-NH2 3.13Å; R416-S768 PolarHBondContact NH2-OG 3.38Å; R416-S769 PolarHBondContact NH2-O 3.03Å; R416-N772 WeakPolarHBondContact CD-O 3.45Å; R416-N772 PolarHBondContact NE-O 2.91Å; R416-T773 CarbonylContact O-C 3.58Å; R416-T773 VanDerWaalsContact O-CA 3.27Å; R416-T773 WeakPolarHBondContact O-CA 3.49Å; R416-T773 WeakPolarHBondContact O-CG2 3.4Å; R416-Y774 HydrophobicContact CB-CD1 4.2Å; R416-Y774 HydrophobicContact CB-CD2 4.09Å; R416-Y774 HydrophobicContact CB-CE1 3.79Å; R416-Y774 HydrophobicContact CB-CE2 3.62Å; R416-Y774 HydrophobicContact CB-CG 4.34Å; R416-Y774 VanDerWaalsContact CB-CZ 3.45Å; R416-Y774 VanDerWaalsContact CD-CE1 3.45Å; R416-Y774 HydrophobicContact CG-CE1 4.22Å; R416-Y774 PolarHBondContact N-O 2.81Å; R416-Y774 PolarHBondContact O-N 3.37Å
417	G	79.9	Confident	67.1	Low	7 Å²	7	70.7 Å²	70.7	7%	0.072	35%	0.353	C	S	.	.	S	Bend	trans	87.5	-179.6	172.7	0	0	0	0	0	112	Y107	Y107-G417 WeakPolarHBondContact CD1-O 3.35Å
418	K	68.6	Low	64.8	Low	101 Å²	101	72.4 Å²	72.4	44%	0.439	37%	0.367	S	S	.	.			trans	-84.1	141.1	-172.1	-66.2	179	-177	175.4	0	110.8	Y107 E111 L420 T773	Y107-K418 HydrophobicContact CD2-CG 4.29Å; Y107-K418 HydrophobicContact CG-CG 4.19Å; E111-K418 WeakPolarHBondContact OE2-CE 3.25Å; E111-K418 IonicContact OE2-NZ 3.59Å; E111-K418 PolarHBondContact OE2-NZ 2.86Å; K418-L420 PolarHBondContact O-N 3.48Å; K418-T773 WeakPolarHBondContact O-CG2 3.31Å
419	I	58.2	Low	62	Low	71 Å²	71	77 Å²	77	36%	0.364	40%	0.398	S	S	.	.			trans	-60.7	106.9	162.4	-53.9	174.1	0	0	0	108	H102 Y107 R421	H102-I419 HydrophobicContact CB-CD1 3.62Å; H102-I419 HydrophobicContact CB-CG1 4.48Å; Y107-I419 HydrophobicContact CE1-CG1 4.1Å; Y107-I419 WeakPolarHBondContact OH-CD1 3.32Å; I419-R421 VanDerWaalsContact C-N 3.31Å; I419-R421 PolarHBondContact O-N 3.15Å
420	L	50.2	Low	59.2	Low	126 Å²	126	83.8 Å²	83.8	66%	0.66	43%	0.43	S	S	*	.			trans	-66.9	95.7	163.2	-65.4	175.7	0	0	0	107	K418 K422	K418-L420 PolarHBondContact O-N 3.48Å; L420-K422 PolarHBondContact O-N 3.35Å
421	R	39.7	Very low	56.5	Low	233 Å²	233	90.3 Å²	90.3	88%	0.879	46%	0.46	S	S	*	.			trans	-53.3	127.7	164.5	-75.8	-173.3	172.8	-172.5	-3	107	I419 K423	I419-R421 VanDerWaalsContact C-N 3.31Å; I419-R421 PolarHBondContact O-N 3.15Å; R421-K423 PolarHBondContact O-N 2.94Å
422	K	34.4	Very low	53.6	Low	185 Å²	185	94.3 Å²	94.3	80%	0.804	48%	0.484	S	S	*	.			trans	-51	112.7	174.5	-101.6	-169.1	168.4	-162.1	0	109	L420	L420-K422 PolarHBondContact O-N 3.35Å
423	K	28.2	Very low	50.8	Low	152 Å²	152	96.6 Å²	96.6	66%	0.661	50%	0.496	S	S	*	.			trans	-92.4	121.6	150.8	-171.2	172.9	177.7	-70.4	0	104	R421 D425	R421-K423 PolarHBondContact O-N 2.94Å; K423-D425 VanDerWaalsContact CD-OD2 3.29Å; K423-D425 WeakPolarHBondContact CD-OD2 3.4Å; K423-D425 WeakPolarHBondContact CG-OD2 3.27Å; K423-D425 IonicContact NZ-OD1 3.85Å; K423-D425 PolarHBondContact NZ-OD1 3.43Å; K423-D425 IonicContact NZ-OD2 2.69Å; K423-D425 PolarHBondContact NZ-OD2 2.99Å; K423-D425 PolarHBondContact O-N 2.92Å
424	D	34.7	Very low	48.4	Very low	133 Å²	133	99.7 Å²	99.7	71%	0.711	52%	0.518	S	S	*	.			trans	-76	69.8	-177.7	-70.5	-53.2	0	0	0	110.3
425	D	30.5	Very low	46.2	Very low	107 Å²	107	101.8 Å²	101.8	57%	0.572	53%	0.529	S	S	*	.			trans	-97.6	103.1	173.5	-70.6	-26.8	0	0	0	109.1	K423 V427	K423-D425 VanDerWaalsContact CD-OD2 3.29Å; K423-D425 WeakPolarHBondContact CD-OD2 3.4Å; K423-D425 WeakPolarHBondContact CG-OD2 3.27Å; K423-D425 IonicContact NZ-OD1 3.85Å; K423-D425 PolarHBondContact NZ-OD1 3.43Å; K423-D425 IonicContact NZ-OD2 2.69Å; K423-D425 PolarHBondContact NZ-OD2 2.99Å; K423-D425 PolarHBondContact O-N 2.92Å; D425-V427 PolarHBondContact O-N 3.36Å
426	S	36.3	Very low	44.4	Very low	120 Å²	120	104.5 Å²	104.5	84%	0.839	55%	0.546	S	S	*	.			trans	-81.8	74.3	-170.9	60.3	0	0	0	0	114.2
427	V	30.5	Very low	42.8	Very low	120 Å²	120	112.4 Å²	112.4	73%	0.727	58%	0.581	S	S	*	*			trans	-141.7	112.6	150.2	-180	0	0	0	0	109.6	D425 T429	D425-V427 PolarHBondContact O-N 3.36Å; V427-T429 PolarHBondContact O-N 3.02Å
428	S	27.2	Very low	42.2	Very low	98 Å²	98	119.7 Å²	119.7	69%	0.685	61%	0.608	S	S	*	*			trans	-77.6	99.1	164.2	-177.4	0	0	0	0	108.7	Q430	S428-Q430 PolarHBondContact O-N 3.43Å
429	T	30.6	Very low	42.2	Very low	118 Å²	118	119.2 Å²	119.2	72%	0.724	61%	0.606	S	S	*	*			trans	-70.6	84.1	166.2	-54.8	0	0	0	0	108.1	V427 Q431	V427-T429 PolarHBondContact O-N 3.02Å; T429-Q431 VanDerWaalsContact C-N 3.31Å; T429-Q431 PolarHBondContact O-N 3.3Å
430	Q	32.5	Very low	43	Very low	150 Å²	150	120.3 Å²	120.3	70%	0.701	61%	0.608	S	S	*	*			trans	-65.3	89.7	175.9	-67.6	-174.4	-5.5	0	0	109.9	S428 T432	S428-Q430 PolarHBondContact O-N 3.43Å; Q430-T432 HydrophobicContact CB-CG2 4.07Å; Q430-T432 PolarHBondContact O-N 3.22Å
431	Q	34.3	Very low	44.2	Very low	156 Å²	156	115.6 Å²	115.6	73%	0.729	58%	0.584	S	S	*	*			trans	-66.9	84	150.2	-75	-168.1	-24.1	0	0	106.6	T429 N433	T429-Q431 VanDerWaalsContact C-N 3.31Å; T429-Q431 PolarHBondContact O-N 3.3Å; Q431-N433 PolarHBondContact O-N 3.13Å
432	T	34.6	Very low	45.9	Very low	87 Å²	87	111.9 Å²	111.9	53%	0.534	57%	0.57	S	S	.	*			trans	-58.4	127	-178.9	54.5	0	0	0	0	109.2	Q430 S434	Q430-T432 HydrophobicContact CB-CG2 4.07Å; Q430-T432 PolarHBondContact O-N 3.22Å; T432-S434 WeakPolarHBondContact O-CB 3.23Å; T432-S434 PolarHBondContact O-N 3.44Å; T432-S434 PolarHBondContact O-OG 2.93Å
433	N	38	Very low	48	Very low	49 Å²	49	106.9 Å²	106.9	26%	0.262	55%	0.55	S	S	.	.			trans	-57.2	86.5	166.9	-86.9	-5.2	0	0	0	109.3	Q431 F795 Y813	Q431-N433 PolarHBondContact O-N 3.13Å; N433-F795 VanDerWaalsContact OD1-CD2 3.28Å; N433-F795 WeakPolarHBondContact OD1-CD2 3.4Å; N433-F795 WeakPolarHBondContact OD1-CE2 3.37Å; N433-Y813 HydrophobicContact CB-CE1 3.91Å; N433-Y813 VanDerWaalsContact CB-OH 3.3Å; N433-Y813 WeakPolarHBondContact CB-OH 3.47Å
434	S	46.5	Very low	50.4	Low	64 Å²	64	102 Å²	102	45%	0.448	53%	0.533	S	S	.	.			trans	-132.6	107.1	-170.5	70.9	0	0	0	0	110.3	T432	T432-S434 WeakPolarHBondContact O-CB 3.23Å; T432-S434 PolarHBondContact O-N 3.44Å; T432-S434 PolarHBondContact O-OG 2.93Å
435	L	50.7	Low	52.4	Low	44 Å²	44	95.8 Å²	95.8	23%	0.23	50%	0.5	C	S	.	.			trans	-46.4	141.3	169.1	-68.7	166.2	0	0	0	111.3	K439 K440 E443	L435-K439 HydrophobicContact CB-CB 4.21Å; L435-K439 HydrophobicContact CD2-CD 4.12Å; L435-K440 HydrophobicContact CB-CG 3.76Å; L435-K440 WeakPolarHBondContact O-CE 3.32Å; L435-E443 WeakPolarHBondContact CD1-OE2 3.25Å
436	P	57.1	Low	54.6	Low	58 Å²	58	96.8 Å²	96.8	38%	0.377	50%	0.501	S	S	.	.			trans	-50.4	142.7	174.9	-28.7	35.7	0	0	0	111.7	Y438 K439 K440	P436-Y438 HydrophobicContact CB-CD1 3.77Å; P436-Y438 HydrophobicContact CB-CE1 3.55Å; P436-Y438 HydrophobicContact CG-CE1 4.25Å; P436-Y438 PolarHBondContact O-N 3.43Å; P436-K439 PolarHBondContact O-N 3.49Å; P436-K440 PolarHBondContact O-N 3.44Å
437	K	55.3	Low	56.6	Low	181 Å²	181	95.8 Å²	95.8	79%	0.787	49%	0.485	S	S	*	.	H	α-helix	trans	-50	-32.3	-170.4	-172	174.6	179.6	177.6	0	114.2	V441	K437-V441 VanDerWaalsContact O-CG2 3.31Å; K437-V441 WeakPolarHBondContact O-CG2 3.27Å; K437-V441 PolarHBondContact O-N 2.91Å
438	Y	67.8	Low	58.5	Low	160 Å²	160	93.5 Å²	93.5	63%	0.627	48%	0.48	S	S	*	.	H	α-helix	trans	-71.6	-37.1	177.6	77.3	-93.6	0	0	0	113.7	P436 V441 R442	P436-Y438 HydrophobicContact CB-CD1 3.77Å; P436-Y438 HydrophobicContact CB-CE1 3.55Å; P436-Y438 HydrophobicContact CG-CE1 4.25Å; P436-Y438 PolarHBondContact O-N 3.43Å; Y438-V441 PolarHBondContact O-N 3.5Å; Y438-R442 PolarHBondContact O-N 3.3Å
439	K	69.4	Low	60.4	Low	92 Å²	92	95.7 Å²	95.7	40%	0.4	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-49.5	176	-80.6	-160.6	173.2	-171.2	0	110.6	L435 P436 V441 R442 E443	L435-K439 HydrophobicContact CB-CB 4.21Å; L435-K439 HydrophobicContact CD2-CD 4.12Å; P436-K439 PolarHBondContact O-N 3.49Å; K439-V441 VanDerWaalsContact C-N 3.26Å; K439-V441 PolarHBondContact O-N 2.92Å; K439-R442 WeakPolarHBondContact O-CB 3.22Å; K439-R442 PolarHBondContact O-N 3.23Å; K439-E443 WeakPolarHBondContact O-CG 3.3Å; K439-E443 PolarHBondContact O-N 3.42Å
440	K	73.8	Confident	62.4	Low	94 Å²	94	91.3 Å²	91.3	41%	0.409	45%	0.451	S	S	.	.	H	α-helix	trans	-53.4	-42.5	175.2	-66.1	-164.3	173.3	-162.6	0	112.7	L435 P436 T444	L435-K440 HydrophobicContact CB-CG 3.76Å; L435-K440 WeakPolarHBondContact O-CE 3.32Å; P436-K440 PolarHBondContact O-N 3.44Å; K440-T444 WeakPolarHBondContact O-CB 3.37Å; K440-T444 PolarHBondContact O-N 2.82Å; K440-T444 PolarHBondContact O-OG1 3.26Å
441	V	75.7	Confident	64.3	Low	27 Å²	27	89.4 Å²	89.4	16%	0.164	44%	0.442	C	S	.	.	H	α-helix	trans	-67.4	-43.8	176.9	168.3	0	0	0	0	111.3	K437 Y438 K439 E443 T444 C445 W471 I473	K437-V441 VanDerWaalsContact O-CG2 3.31Å; K437-V441 WeakPolarHBondContact O-CG2 3.27Å; K437-V441 PolarHBondContact O-N 2.91Å; Y438-V441 PolarHBondContact O-N 3.5Å; K439-V441 VanDerWaalsContact C-N 3.26Å; K439-V441 PolarHBondContact O-N 2.92Å; V441-E443 PolarHBondContact O-N 2.83Å; V441-T444 PolarHBondContact O-N 3.38Å; V441-C445 WeakPolarHBondContact O-CB 3.17Å; V441-C445 PolarHBondContact O-N 2.87Å; V441-C445 PolarHBondContact O-SG 3.46Å; V441-W471 HydrophobicContact CG1-CB 4.01Å; V441-W471 WeakPolarHBondContact CG1-O 3.4Å; V441-I473 HydrophobicContact CG1-CG1 4.24Å
442	R	76	Confident	66.1	Low	155 Å²	155	83.8 Å²	83.8	59%	0.585	42%	0.418	S	S	*	.	H	α-helix	trans	-59.2	-46.2	176.6	-169.8	-178.3	-174.6	-170.9	1.5	112.1	Y438 K439 C445 Q446	Y438-R442 PolarHBondContact O-N 3.3Å; K439-R442 WeakPolarHBondContact O-CB 3.22Å; K439-R442 PolarHBondContact O-N 3.23Å; R442-C445 CarbonylContact O-C 3.58Å; R442-C445 PolarHBondContact O-N 3.21Å; R442-Q446 PolarHBondContact O-N 2.93Å
443	E	77.4	Confident	68.1	Low	80 Å²	80	83.8 Å²	83.8	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-64	-43.5	176.6	-70.5	147.1	-159.1	0	0	111.6	L435 K439 V441 C445 Q446	L435-E443 WeakPolarHBondContact CD1-OE2 3.25Å; K439-E443 WeakPolarHBondContact O-CG 3.3Å; K439-E443 PolarHBondContact O-N 3.42Å; V441-E443 PolarHBondContact O-N 2.83Å; E443-C445 PolarHBondContact O-N 2.87Å; E443-Q446 WeakPolarHBondContact O-CB 3.38Å; E443-Q446 PolarHBondContact O-N 2.75Å
444	T	78.8	Confident	69.8	Low	49 Å²	49	83.5 Å²	83.5	30%	0.301	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-35.8	174.6	-54.3	0	0	0	0	111.2	K440 V441 Q446 L447 L450 I473	K440-T444 WeakPolarHBondContact O-CB 3.37Å; K440-T444 PolarHBondContact O-N 2.82Å; K440-T444 PolarHBondContact O-OG1 3.26Å; V441-T444 PolarHBondContact O-N 3.38Å; T444-Q446 PolarHBondContact O-N 2.79Å; T444-L447 WeakPolarHBondContact O-CB 3.38Å; T444-L447 WeakPolarHBondContact O-CG 3.36Å; T444-L447 PolarHBondContact O-N 2.91Å; T444-L450 HydrophobicContact CG2-CD1 3.57Å; T444-L450 WeakPolarHBondContact O-CD1 3.39Å; T444-I473 HydrophobicContact CG2-CD1 3.6Å
445	C	77.4	Confident	70.9	Confident	3 Å²	3	87.4 Å²	87.4	2%	0.02	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.1	175.4	-63.3	0	0	0	0	114.9	V441 R442 E443 Q451 C463 W471	V441-C445 WeakPolarHBondContact O-CB 3.17Å; V441-C445 PolarHBondContact O-N 2.87Å; V441-C445 PolarHBondContact O-SG 3.46Å; R442-C445 CarbonylContact O-C 3.58Å; R442-C445 PolarHBondContact O-N 3.21Å; E443-C445 PolarHBondContact O-N 2.87Å; C445-Q451 VanDerWaalsContact O-CG 3.27Å; C445-Q451 WeakPolarHBondContact O-CG 3.38Å; C445-Q451 PolarHBondContact O-NE2 2.73Å; C445-Q451 VanDerWaalsContact O-NE2 3.08Å; C445-C463 WeakPolarHBondContact CA-SG 3.4Å; C445-C463 HydrophobicContact CB-CB 3.58Å; C445-C463 WeakPolarHBondContact CB-SG 3.38Å; C445-C463 WeakPolarHBondContact SG-CB 3.45Å; C445-C463 CovalentContact SG-SG 2.03Å; C445-C463 PolarHBondContact SG-SG 2.97Å; C445-W471 HydrophobicContact CB-CD2 4.24Å; C445-W471 HydrophobicContact CB-CE3 3.56Å; C445-W471 HydrophobicContact CB-CZ3 4.11Å
446	Q	76.4	Confident	71.8	Confident	127 Å²	127	90.5 Å²	90.5	59%	0.593	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.8	169.5	-71.1	172.3	-44.8	0	0	112.7	R442 E443 T444	R442-Q446 PolarHBondContact O-N 2.93Å; E443-Q446 WeakPolarHBondContact O-CB 3.38Å; E443-Q446 PolarHBondContact O-N 2.75Å; T444-Q446 PolarHBondContact O-N 2.79Å
447	L	78.6	Confident	72.2	Confident	99 Å²	99	94.3 Å²	94.3	52%	0.518	47%	0.47	S	S	.	.	S	Bend	trans	-72.4	126	171.4	-60.4	174.9	0	0	0	110.4	T444 E449 L450 Q451	T444-L447 WeakPolarHBondContact O-CB 3.38Å; T444-L447 WeakPolarHBondContact O-CG 3.36Å; T444-L447 PolarHBondContact O-N 2.91Å; L447-E449 PolarHBondContact O-N 3.09Å; L447-L450 HydrophobicContact CD1-CD1 4.31Å; L447-L450 PolarHBondContact O-N 3.48Å; L447-Q451 PolarHBondContact O-N 2.92Å
448	A	70.5	Confident	72.9	Confident	73 Å²	73	88.9 Å²	88.9	60%	0.603	47%	0.466	S	S	*	.	H	α-helix	trans	-55.8	-35.8	-177.9	0	0	0	0	0	113.2	L450 Q451	A448-L450 PolarHBondContact O-N 2.86Å; A448-L450 VanDerWaalsContact O-N 3.09Å; A448-Q451 PolarHBondContact O-N 2.76Å
449	E	67.9	Low	73.1	Confident	143 Å²	143	82.6 Å²	82.6	67%	0.668	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-15.3	175.4	-61.2	180	-171	0	0	114.6	L447 Q459	L447-E449 PolarHBondContact O-N 3.09Å; E449-Q459 PolarHBondContact O-NE2 2.84Å
450	L	72	Confident	73.5	Confident	26 Å²	26	85.3 Å²	85.3	14%	0.136	45%	0.454	C	S	.	.	H	α-helix	trans	-117	-3.9	-177.5	-61.6	179	0	0	0	113.1	T444 L447 A448 W461 H462 C463	T444-L450 HydrophobicContact CG2-CD1 3.57Å; T444-L450 WeakPolarHBondContact O-CD1 3.39Å; L447-L450 HydrophobicContact CD1-CD1 4.31Å; L447-L450 PolarHBondContact O-N 3.48Å; A448-L450 PolarHBondContact O-N 2.86Å; A448-L450 VanDerWaalsContact O-N 3.09Å; L450-W461 HydrophobicContact CD2-CB 3.95Å; L450-W461 WeakPolarHBondContact CD2-O 3.21Å; L450-H462 CarbonylContact O-C 3.6Å; L450-C463 WeakPolarHBondContact O-CB 3.49Å; L450-C463 PolarHBondContact O-N 2.79Å
451	Q	71.9	Confident	73.9	Confident	111 Å²	111	86.8 Å²	86.8	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-85.8	-28.6	176.5	-71.2	-178.8	-11.5	0	0	113.1	C445 L447 A448	C445-Q451 VanDerWaalsContact O-CG 3.27Å; C445-Q451 WeakPolarHBondContact O-CG 3.38Å; C445-Q451 PolarHBondContact O-NE2 2.73Å; C445-Q451 VanDerWaalsContact O-NE2 3.08Å; L447-Q451 PolarHBondContact O-N 2.92Å; A448-Q451 PolarHBondContact O-N 2.76Å
452	T	71.6	Confident	74.4	Confident	38 Å²	38	87.2 Å²	87.2	23%	0.233	46%	0.458	C	S	.	.	S	Bend	trans	-73.1	141.9	178.8	51	0	0	0	0	111.8	C454 Q459	T452-C454 VanDerWaalsContact C-N 3.26Å; T452-C454 PolarHBondContact O-N 2.86Å; T452-Q459 PolarHBondContact O-NE2 3.07Å; T452-Q459 VanDerWaalsContact O-NE2 3.07Å; T452-Q459 PolarHBondContact OG1-NE2 3.32Å; T452-Q459 PolarHBondContact OG1-OE1 2.75Å
453	P	77.6	Confident	74.9	Confident	86 Å²	86	80.5 Å²	80.5	56%	0.558	43%	0.434	S	S	*	.			trans	-71.5	54.1	-176.1	-23	36.4	0	0	0	117.3	E455	P453-E455 VanDerWaalsContact C-N 3.3Å; P453-E455 PolarHBondContact O-N 3.4Å
454	C	73.6	Confident	75.2	Confident	44 Å²	44	79.1 Å²	79.1	30%	0.297	43%	0.431	S	S	.	.	S	Bend	trans	64.1	28.3	-177.9	-61.2	0	0	0	0	115	T452 Q459 H462 C476	T452-C454 VanDerWaalsContact C-N 3.26Å; T452-C454 PolarHBondContact O-N 2.86Å; C454-Q459 VanDerWaalsContact C-OE1 3.25Å; C454-H462 PolarHBondContact SG-CD2 3.18Å; C454-C476 VanDerWaalsContact CA-SG 3.58Å; C454-C476 HydrophobicContact CB-CB 3.6Å; C454-C476 WeakPolarHBondContact CB-SG 3.36Å; C454-C476 WeakPolarHBondContact SG-CA 3.42Å; C454-C476 WeakPolarHBondContact SG-CB 3.35Å; C454-C476 CovalentContact SG-SG 2.03Å; C454-C476 PolarHBondContact SG-SG 2.86Å
455	E	70.3	Confident	75.3	Confident	145 Å²	145	81.7 Å²	81.7	68%	0.678	44%	0.439	S	S	*	.			trans	-87.4	-18.8	-174.7	-68.1	165.6	176.7	0	0	113.3	P453 Q459	P453-E455 VanDerWaalsContact C-N 3.3Å; P453-E455 PolarHBondContact O-N 3.4Å; E455-Q459 VanDerWaalsContact N-OE1 3.07Å
456	Q	69	Low	75.3	Confident	109 Å²	109	84.7 Å²	84.7	51%	0.509	45%	0.453	S	S	.	.	S	Bend	trans	-88.1	138.9	-176	-65.6	-162.9	0.4	0	0	113.1	G458 Q459	Q456-G458 PolarHBondContact O-N 2.89Å; Q456-G458 VanDerWaalsContact O-N 3.16Å; Q456-Q459 HydrophobicContact CB-CB 4.19Å; Q456-Q459 WeakPolarHBondContact O-CB 3.44Å; Q456-Q459 PolarHBondContact O-N 2.72Å
457	P	65.6	Low	75	Confident	138 Å²	138	87.4 Å²	87.4	90%	0.896	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	117.7	-177.6	25.7	-33.9	0	0	0	111.3
458	G	69.3	Low	74.5	Confident	68 Å²	68	87.1 Å²	87.1	70%	0.701	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-3	-177	0	0	0	0	0	115.1	Q456 K460	Q456-G458 PolarHBondContact O-N 2.89Å; Q456-G458 VanDerWaalsContact O-N 3.16Å; G458-K460 PolarHBondContact O-N 3.08Å
459	Q	73.6	Confident	74.4	Confident	28 Å²	28	86 Å²	86	13%	0.131	47%	0.469	C	S	.	.			trans	-62.2	113.6	176.2	-167.3	177.1	12.6	0	0	110.7	E449 T452 C454 E455 Q456 W461 C476	E449-Q459 PolarHBondContact O-NE2 2.84Å; T452-Q459 PolarHBondContact O-NE2 3.07Å; T452-Q459 VanDerWaalsContact O-NE2 3.07Å; T452-Q459 PolarHBondContact OG1-NE2 3.32Å; T452-Q459 PolarHBondContact OG1-OE1 2.75Å; C454-Q459 VanDerWaalsContact C-OE1 3.25Å; E455-Q459 VanDerWaalsContact N-OE1 3.07Å; Q456-Q459 HydrophobicContact CB-CB 4.19Å; Q456-Q459 WeakPolarHBondContact O-CB 3.44Å; Q456-Q459 PolarHBondContact O-N 2.72Å; Q459-W461 WeakPolarHBondContact CG-O 3.31Å; Q459-C476 VanDerWaalsContact O-CB 3.23Å; Q459-C476 WeakPolarHBondContact O-CB 3.48Å
460	K	76.4	Confident	74.5	Confident	149 Å²	149	85.3 Å²	85.3	65%	0.648	46%	0.463	S	S	*	.			trans	-90.4	-23.1	-174.7	-74.4	165.1	-172.4	166.8	0	113.4	G458 K475 C476	G458-K460 PolarHBondContact O-N 3.08Å; K460-K475 WeakPolarHBondContact O-CG 3.44Å; K460-C476 PolarHBondContact O-N 3.13Å
461	W	82.7	Confident	74.8	Confident	125 Å²	125	88.1 Å²	88.1	47%	0.473	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155	-174.2	-51.9	95.2	0	0	0	110.1	L450 Q459 I473 Q474 K475 C476	L450-W461 HydrophobicContact CD2-CB 3.95Å; L450-W461 WeakPolarHBondContact CD2-O 3.21Å; Q459-W461 WeakPolarHBondContact CG-O 3.31Å; W461-I473 HydrophobicContact CB-CG2 3.75Å; W461-I473 HydrophobicContact CD2-CG2 4.34Å; W461-I473 HydrophobicContact CE3-CG2 4.07Å; W461-I473 HydrophobicContact CG-CG2 4.24Å; W461-Q474 CarbonylContact C-O 3.56Å; W461-Q474 VanDerWaalsContact CA-O 3.23Å; W461-Q474 WeakPolarHBondContact CA-O 3.28Å; W461-K475 HydrophobicContact CD2-CB 4.43Å; W461-K475 HydrophobicContact CD2-CG 4.19Å; W461-K475 HydrophobicContact CE3-CB 3.66Å; W461-K475 HydrophobicContact CE3-CG 3.89Å; W461-K475 HydrophobicContact CH2-CB 4.25Å; W461-K475 HydrophobicContact CH2-CD 4.24Å; W461-K475 HydrophobicContact CH2-CG 4.13Å; W461-K475 HydrophobicContact CZ2-CG 4.42Å; W461-K475 HydrophobicContact CZ3-CB 3.56Å; W461-K475 HydrophobicContact CZ3-CD 4.39Å; W461-K475 HydrophobicContact CZ3-CG 3.86Å; W461-C476 VanDerWaalsContact C-SG 3.52Å
462	H	85.3	Confident	75.1	Confident	36 Å²	36	89.6 Å²	89.6	17%	0.167	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.1	170.7	75.2	117	0	0	0	109.3	L450 C454 V464 I473 Q474	L450-H462 CarbonylContact O-C 3.6Å; C454-H462 PolarHBondContact SG-CD2 3.18Å; H462-V464 WeakPolarHBondContact CE1-CG2 3.38Å; H462-I473 CarbonylContact O-C 3.59Å; H462-I473 WeakPolarHBondContact O-CA 3.39Å; H462-Q474 PolarHBondContact N-O 2.96Å; H462-Q474 PolarHBondContact O-N 3.13Å
463	C	88.3	Confident	75.7	Confident	13 Å²	13	90.7 Å²	90.7	9%	0.088	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	149.6	176.9	-75.9	0	0	0	0	112.9	C445 L450 W471 R472	C445-C463 WeakPolarHBondContact CA-SG 3.4Å; C445-C463 HydrophobicContact CB-CB 3.58Å; C445-C463 WeakPolarHBondContact CB-SG 3.38Å; C445-C463 WeakPolarHBondContact SG-CB 3.45Å; C445-C463 CovalentContact SG-SG 2.03Å; C445-C463 PolarHBondContact SG-SG 2.97Å; L450-C463 WeakPolarHBondContact O-CB 3.49Å; L450-C463 PolarHBondContact O-N 2.79Å; C463-W471 HydrophobicContact CB-CE3 3.91Å; C463-W471 HydrophobicContact CB-CZ3 3.97Å; C463-R472 WeakPolarHBondContact CA-O 3.24Å
464	V	82.6	Confident	75.9	Confident	51 Å²	51	91 Å²	91	31%	0.309	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.1	175.6	-176.3	0	0	0	0	108.5	H462 R472 Q474	H462-V464 WeakPolarHBondContact CE1-CG2 3.38Å; V464-R472 PolarHBondContact N-O 2.87Å; V464-R472 PolarHBondContact O-N 3.1Å; V464-Q474 HydrophobicContact CG2-CG 4.17Å
465	E	80.5	Confident	76.2	Confident	103 Å²	103	95.3 Å²	95.3	48%	0.481	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.5	169	-172.1	157.9	-134.7	0	0	109.7	W471	E465-W471 HydrophobicContact CB-CD2 4.2Å; E465-W471 HydrophobicContact CB-CH2 4.27Å; E465-W471 HydrophobicContact CB-CZ2 3.92Å; E465-W471 HydrophobicContact CG-CZ2 4.32Å; E465-W471 PolarHBondContact OE1-NE1 3.16Å; E465-W471 WeakPolarHBondContact OE2-CZ2 3.49Å
466	E	77.9	Confident	76.7	Confident	66 Å²	66	89.5 Å²	89.5	31%	0.308	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	154.8	169.7	-67.8	-176.7	164.4	0	0	110.7	T468 G469 K470 R472	E466-T468 PolarHBondContact O-N 3.44Å; E466-G469 PolarHBondContact O-N 2.78Å; E466-K470 HydrophobicContact CB-CB 4.4Å; E466-K470 WeakPolarHBondContact CB-O 3.46Å; E466-K470 PolarHBondContact N-O 3.08Å; E466-R472 IonicContact OE1-CZ 3.43Å; E466-R472 IonicContact OE1-NE 3.87Å; E466-R472 PolarHBondContact OE1-NE 3.12Å; E466-R472 IonicContact OE1-NH2 2.73Å; E466-R472 PolarHBondContact OE1-NH2 2.86Å
467	I	70.4	Confident	76.8	Confident	185 Å²	185	94.2 Å²	94.2	95%	0.949	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-13.9	174.8	-41.9	176.1	0	0	0	113.1
468	T	68.6	Low	76.1	Confident	92 Å²	92	91.6 Å²	91.6	56%	0.564	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	14.6	175.1	69	0	0	0	0	114.7	E466 K470	E466-T468 PolarHBondContact O-N 3.44Å; T468-K470 WeakPolarHBondContact OG1-CD 3.3Å
469	G	66.7	Low	74.7	Confident	51 Å²	51	91.7 Å²	91.7	53%	0.526	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	29	-178	0	0	0	0	0	113.5	E466	E466-G469 PolarHBondContact O-N 2.78Å
470	K	71.1	Confident	72.9	Confident	128 Å²	128	95.9 Å²	95.9	56%	0.557	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.2	-174.1	-71.7	178.2	-170.7	161	0	111.4	E466 T468	E466-K470 HydrophobicContact CB-CB 4.4Å; E466-K470 WeakPolarHBondContact CB-O 3.46Å; E466-K470 PolarHBondContact N-O 3.08Å; T468-K470 WeakPolarHBondContact OG1-CD 3.3Å
471	W	78.1	Confident	71	Confident	85 Å²	85	97.2 Å²	97.2	32%	0.322	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138	177.6	-70.3	76.4	0	0	0	111.7	V441 C445 C463 E465	V441-W471 HydrophobicContact CG1-CB 4.01Å; V441-W471 WeakPolarHBondContact CG1-O 3.4Å; C445-W471 HydrophobicContact CB-CD2 4.24Å; C445-W471 HydrophobicContact CB-CE3 3.56Å; C445-W471 HydrophobicContact CB-CZ3 4.11Å; C463-W471 HydrophobicContact CB-CE3 3.91Å; C463-W471 HydrophobicContact CB-CZ3 3.97Å; E465-W471 HydrophobicContact CB-CD2 4.2Å; E465-W471 HydrophobicContact CB-CH2 4.27Å; E465-W471 HydrophobicContact CB-CZ2 3.92Å; E465-W471 HydrophobicContact CG-CZ2 4.32Å; E465-W471 PolarHBondContact OE1-NE1 3.16Å; E465-W471 WeakPolarHBondContact OE2-CZ2 3.49Å
472	R	78.8	Confident	68.6	Low	141 Å²	141	99.9 Å²	99.9	53%	0.532	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.2	166.9	-66.8	-157.8	-163.2	-157.3	11.2	111	C463 V464 E466	C463-R472 WeakPolarHBondContact CA-O 3.24Å; V464-R472 PolarHBondContact N-O 2.87Å; V464-R472 PolarHBondContact O-N 3.1Å; E466-R472 IonicContact OE1-CZ 3.43Å; E466-R472 IonicContact OE1-NE 3.87Å; E466-R472 PolarHBondContact OE1-NE 3.12Å; E466-R472 IonicContact OE1-NH2 2.73Å; E466-R472 PolarHBondContact OE1-NH2 2.86Å
473	I	84.3	Confident	66	Low	62 Å²	62	101.9 Å²	101.9	32%	0.318	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	127.3	165.1	-52.8	168.2	0	0	0	108	V441 T444 W461 H462	V441-I473 HydrophobicContact CG1-CG1 4.24Å; T444-I473 HydrophobicContact CG2-CD1 3.6Å; W461-I473 HydrophobicContact CB-CG2 3.75Å; W461-I473 HydrophobicContact CD2-CG2 4.34Å; W461-I473 HydrophobicContact CE3-CG2 4.07Å; W461-I473 HydrophobicContact CG-CG2 4.24Å; H462-I473 CarbonylContact O-C 3.59Å; H462-I473 WeakPolarHBondContact O-CA 3.39Å
474	Q	81.1	Confident	63.3	Low	92 Å²	92	106.2 Å²	106.2	43%	0.43	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.7	156.4	175.3	-60.3	-162	42.2	0	0	110.4	W461 H462 V464	W461-Q474 CarbonylContact C-O 3.56Å; W461-Q474 VanDerWaalsContact CA-O 3.23Å; W461-Q474 WeakPolarHBondContact CA-O 3.28Å; H462-Q474 PolarHBondContact N-O 2.96Å; H462-Q474 PolarHBondContact O-N 3.13Å; V464-Q474 HydrophobicContact CG2-CG 4.17Å
475	K	80.9	Confident	60.8	Low	135 Å²	135	114.3 Å²	114.3	59%	0.587	62%	0.619	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.6	130.6	-177.5	-159.6	-174.1	176.8	-176.2	0	111.2	K460 W461	K460-K475 WeakPolarHBondContact O-CG 3.44Å; W461-K475 HydrophobicContact CD2-CB 4.43Å; W461-K475 HydrophobicContact CD2-CG 4.19Å; W461-K475 HydrophobicContact CE3-CB 3.66Å; W461-K475 HydrophobicContact CE3-CG 3.89Å; W461-K475 HydrophobicContact CH2-CB 4.25Å; W461-K475 HydrophobicContact CH2-CD 4.24Å; W461-K475 HydrophobicContact CH2-CG 4.13Å; W461-K475 HydrophobicContact CZ2-CG 4.42Å; W461-K475 HydrophobicContact CZ3-CB 3.56Å; W461-K475 HydrophobicContact CZ3-CD 4.39Å; W461-K475 HydrophobicContact CZ3-CG 3.86Å
476	C	80.7	Confident	58.6	Low	22 Å²	22	118.6 Å²	118.6	15%	0.149	64%	0.636	C	S	.	*			trans	-64.1	149.2	175	-64.1	0	0	0	0	112.4	C454 Q459 K460 W461	C454-C476 VanDerWaalsContact CA-SG 3.58Å; C454-C476 HydrophobicContact CB-CB 3.6Å; C454-C476 WeakPolarHBondContact CB-SG 3.36Å; C454-C476 WeakPolarHBondContact SG-CA 3.42Å; C454-C476 WeakPolarHBondContact SG-CB 3.35Å; C454-C476 CovalentContact SG-SG 2.03Å; C454-C476 PolarHBondContact SG-SG 2.86Å; Q459-C476 VanDerWaalsContact O-CB 3.23Å; Q459-C476 WeakPolarHBondContact O-CB 3.48Å; K460-C476 PolarHBondContact O-N 3.13Å; W461-C476 VanDerWaalsContact C-SG 3.52Å
477	K	69.9	Low	56.4	Low	209 Å²	209	126.8 Å²	126.8	91%	0.909	66%	0.664	S	S	*	*			trans	-126.7	93.2	-171.1	-75.7	-176.9	177.3	175.2	0	113
478	G	51.7	Low	54.5	Low	82 Å²	82	124.1 Å²	124.1	85%	0.845	66%	0.656	S	S	*	*			trans	167.8	141.7	167.7	0	0	0	0	0	109.9
479	G	38.8	Very low	52.6	Low	71 Å²	71	131.7 Å²	131.7	73%	0.732	67%	0.674	S	S	*	*			cis	-172.6	167.6	-8.2	0	0	0	0	0	110.6
480	S	36.1	Very low	50.9	Low	115 Å²	115	134.6 Å²	134.6	80%	0.804	69%	0.687	S	S	*	*			trans	68.8	147.8	-175.4	-162.4	0	0	0	0	115.2
481	K	37.1	Very low	48.9	Very low	178 Å²	178	135.5 Å²	135.5	77%	0.774	70%	0.697	S	S	*	*			cis	-157	157.3	-33.2	-98.6	-178.6	-175.3	-174.8	0	102.4
482	E	31.3	Very low	46.5	Very low	180 Å²	180	142 Å²	142	84%	0.841	72%	0.722	S	S	*	*			cis	-162.6	159.2	27.7	-160.8	144.3	-116.2	0	0	107.7
483	G	30.5	Very low	44.6	Very low	78 Å²	78	141 Å²	141	80%	0.804	73%	0.733	S	S	*	*			trans	148.1	142.2	177.4	0	0	0	0	0	114
484	S	31.7	Very low	42.6	Very low	105 Å²	105	144 Å²	144	73%	0.734	76%	0.757	S	S	*	*			trans	-109.5	157.8	-158.2	76.7	0	0	0	0	116.8
485	R	31.6	Very low	40.2	Very low	221 Å²	221	145.4 Å²	145.4	83%	0.834	78%	0.777	S	S	*	*			trans	88.8	102.6	158.3	-60.9	168.1	179.3	-165	-1.2	120
486	K	33.9	Very low	37.8	Very low	193 Å²	193	144.3 Å²	144.3	84%	0.839	79%	0.786	S	S	*	*			trans	65.5	146.5	136.2	-61.7	175.3	-179.9	176.9	0	116.9
487	R	30.4	Very low	35.4	Very low	237 Å²	237	153.5 Å²	153.5	89%	0.894	82%	0.824	S	S	*	*			cis	-149.4	151.1	13.2	-139.6	171	-172.2	168.2	0.1	109.6
488	V	30.4	Very low	33.4	Very low	130 Å²	130	147.2 Å²	147.2	79%	0.788	81%	0.81	S	S	*	*			trans	-94.9	145.8	-176.8	175.6	0	0	0	0	112.1
489	R	29.1	Very low	32.2	Very low	250 Å²	250	153.1 Å²	153.1	94%	0.943	81%	0.807	S	S	*	*			trans	-139.4	125.8	147.5	-82.9	-171.8	168.9	165.4	-3.8	109.4
490	S	30.9	Very low	31.6	Very low	112 Å²	112	157.9 Å²	157.9	78%	0.783	81%	0.808	S	S	*	*			trans	-97.2	-174	168.9	57.6	0	0	0	0	110.7
491	L	29.8	Very low	31.2	Very low	147 Å²	147	158.7 Å²	158.7	77%	0.77	80%	0.803	S	S	*	*			trans	-136.1	145.3	-163.7	-86.2	165.4	0	0	0	112.7
492	R	27.5	Very low	30.8	Very low	223 Å²	223	156.3 Å²	156.3	84%	0.842	80%	0.799	S	S	*	*			trans	66.5	174.4	153	-67.2	170.7	178.6	-165.3	-1.1	116.4
493	P	39.5	Very low	30.7	Very low	119 Å²	119	157.2 Å²	157.2	77%	0.773	79%	0.794	S	S	*	*			cis	-115.6	176.3	-11.8	12.3	12.4	0	0	0	113.8
494	P	42.4	Very low	30.7	Very low	125 Å²	125	159 Å²	159	81%	0.812	78%	0.781	S	S	*	*			trans	-101.1	157.4	179.2	38.5	-32.9	0	0	0	114.1
495	S	29.1	Very low	30.7	Very low	122 Å²	122	162.2 Å²	162.2	85%	0.853	78%	0.782	S	S	*	*			trans	-146.7	133.3	159.4	58.6	0	0	0	0	110.2
496	S	30.8	Very low	30.7	Very low	112 Å²	112	155.8 Å²	155.8	78%	0.783	78%	0.776	S	S	*	*			trans	-88.9	131	-179.6	53.3	0	0	0	0	112.4
497	F	29.8	Very low	30.5	Very low	215 Å²	215	152 Å²	152	94%	0.943	77%	0.773	S	S	*	*			trans	-153.6	163.9	137.1	-131.2	-94.1	0	0	0	110
498	A	29.9	Very low	30.5	Very low	76 Å²	76	148.8 Å²	148.8	63%	0.628	77%	0.774	S	S	*	*			trans	-115	166.7	-172	0	0	0	0	0	113.1
499	R	25.7	Very low	30.4	Very low	207 Å²	207	148 Å²	148	78%	0.781	77%	0.772	S	S	*	*			trans	92.8	123.7	153.6	-125	178.6	-75.9	143.1	-7	118.4
500	F	26.4	Very low	30.4	Very low	170 Å²	170	145.7 Å²	145.7	75%	0.746	77%	0.773	S	S	*	*			trans	104.2	119.9	143.1	-74.2	-50.8	0	0	0	123.4
501	L	27.2	Very low	30.3	Very low	132 Å²	132	147.6 Å²	147.6	69%	0.691	77%	0.774	S	S	*	*			trans	84.2	116.8	136.9	-68.3	165.8	0	0	0	122.1
502	N	28.3	Very low	31.2	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	76%	0.764	S	S	*	*			trans	68	157.2	141.8	-62.6	-14.9	0	0	0	118.4
503	R	28.8	Very low	31.4	Very low	199 Å²	199	141.1 Å²	141.1	75%	0.751	76%	0.761	S	S	*	*			cis	-169	157.4	-18.6	-100.4	166.2	72.2	-160.8	1.1	104
504	E	30.6	Very low	30.9	Very low	114 Å²	114	145.6 Å²	145.6	53%	0.533	76%	0.764	S	S	.	*			cis	-156.6	-174.5	2.5	-133.6	174.1	-87.3	0	0	105.4
505	K	33	Very low	30.2	Very low	173 Å²	173	148.1 Å²	148.1	75%	0.752	76%	0.762	S	S	*	*			cis	-158.9	-171.7	5	-152.7	-176.5	-169.4	95	0	107.6
506	A	31.6	Very low	30.8	Very low	86 Å²	86	147 Å²	147	71%	0.711	75%	0.752	S	S	*	*			trans	64	104.3	168.6	0	0	0	0	0	115.6
507	C	29.4	Very low	30.9	Very low	115 Å²	115	147.7 Å²	147.7	78%	0.777	75%	0.751	S	S	*	*			cis	74.5	107.1	38.9	-46.8	0	0	0	0	114.4
508	D	30.7	Very low	30.9	Very low	169 Å²	169	148.7 Å²	148.7	90%	0.904	75%	0.749	S	S	*	*				-144.7	152.1	126.8	-135.5	-21.1	0	0	0	108.5
509	C	28.7	Very low	31	Very low	112 Å²	112	149.1 Å²	149.1	76%	0.757	75%	0.752	S	S	*	*			trans	-145.1	136.7	-166.6	-65.6	0	0	0	0	113.5
510	E	27.5	Very low	31.1	Very low	203 Å²	203	145.1 Å²	145.1	95%	0.949	75%	0.747	S	S	*	*			trans	-152.2	149.4	150.4	-120.6	172.8	-155.4	0	0	111.1
511	D	29.7	Very low	31.5	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	75%	0.746	S	S	*	*			trans	-166.7	179.9	-163.2	-148.5	14.2	0	0	0	106
512	P	49.1	Very low	31.9	Very low	87 Å²	87	150 Å²	150	57%	0.565	75%	0.751	S	S	*	*			cis	-135.2	-159.9	-10.1	23.1	4.5	0	0	0	113.7
513	L	31	Very low	32.1	Very low	148 Å²	148	148.5 Å²	148.5	78%	0.775	75%	0.751	S	S	*	*			trans	80.8	145.5	156.8	-49.2	-175.8	0	0	0	116.9
514	Y	28.7	Very low	32.2	Very low	213 Å²	213	145.2 Å²	145.2	84%	0.835	74%	0.744	S	S	*	*			cis	-152.4	174.3	16.9	-154.6	-128.4	0	0	0	113.5
515	K	29.2	Very low	32.3	Very low	178 Å²	178	149.4 Å²	149.4	77%	0.774	76%	0.755	S	S	*	*			trans	-145.2	168.6	175.3	-99.6	-179.3	-177.7	172.6	0	107.6
516	P	40.3	Very low	32.3	Very low	98 Å²	98	150.4 Å²	150.4	64%	0.636	75%	0.754	S	S	*	*			cis	-139.8	169.7	-21.2	38.1	-20.3	0	0	0	115.3
517	T	33.4	Very low	32.2	Very low	126 Å²	126	154.1 Å²	154.1	77%	0.773	75%	0.754	S	S	*	*			trans	59.4	154.3	143.3	58	0	0	0	0	124.4
518	R	29.8	Very low	32.3	Very low	236 Å²	236	153.4 Å²	153.4	89%	0.891	75%	0.751	S	S	*	*			trans	87.4	100	146.1	-89.5	179.4	176.1	175	0.8	120.7
519	A	32	Very low	32.2	Very low	85 Å²	85	151.2 Å²	151.2	70%	0.702	75%	0.749	S	S	*	*				60.8	118.2	110.9	0	0	0	0	0	121
520	D	28.6	Very low	32.3	Very low	124 Å²	124	149.8 Å²	149.8	66%	0.663	75%	0.752	S	S	*	*			trans	-173.5	155.5	141.8	-102	-14.9	0	0	0	109.2
521	R	35	Very low	32.3	Very low	192 Å²	192	143.6 Å²	143.6	73%	0.725	74%	0.744	S	S	*	*			cis	-157.2	149.4	-12.1	-143.4	167.8	-118.8	176.9	16.1	112.4
522	R	34.8	Very low	32.5	Very low	211 Å²	211	144.5 Å²	144.5	80%	0.796	74%	0.743	S	S	*	*			trans	13	131	145.2	-65.4	175.7	170.8	166.4	-3.1	121.6
523	S	31.6	Very low	31.8	Very low	98 Å²	98	150.9 Å²	150.9	69%	0.685	76%	0.756	S	S	*	*				90.6	168.6	120.6	78.9	0	0	0	0	119.1
524	Q	31.6	Very low	31.6	Very low	130 Å²	130	154.7 Å²	154.7	61%	0.607	76%	0.761	S	S	*	*			cis	-164.7	154.8	30.3	-139.2	-178.7	62.6	0	0	114.3
525	R	32.4	Very low	31.9	Very low	203 Å²	203	154.2 Å²	154.2	77%	0.766	76%	0.758	S	S	*	*			trans	67.2	156.9	161.2	-65.5	164.1	-176.2	171.2	9.1	115.5
526	R	32.8	Very low	32.4	Very low	193 Å²	193	152 Å²	152	73%	0.728	76%	0.762	S	S	*	*			cis	-162.6	171.4	-6.1	-122.8	-177.8	171.6	167.2	-0.8	108.1
527	F	30.7	Very low	31.9	Very low	164 Å²	164	157.2 Å²	157.2	72%	0.719	77%	0.769	S	S	*	*			cis	-146.8	-109.9	-4	-153.2	-11.1	0	0	0	113.3
528	S	30.4	Very low	31.6	Very low	101 Å²	101	159.8 Å²	159.8	71%	0.706	77%	0.77	S	S	*	*			trans	-107.2	169.4	-173.5	-48.5	0	0	0	0	112
529	S	29.6	Very low	31.8	Very low	123 Å²	123	153.9 Å²	153.9	86%	0.86	76%	0.759	S	S	*	*			cis	-150.7	-177.7	14.5	57.9	0	0	0	0	110.1
530	G	29.1	Very low	31.8	Very low	81 Å²	81	158.4 Å²	158.4	84%	0.835	77%	0.765	S	S	*	*			cis	152.8	128.4	-12.2	0	0	0	0	0	113.3
531	G	28.6	Very low	32.1	Very low	74 Å²	74	158.5 Å²	158.5	76%	0.763	77%	0.771	S	S	*	*			trans	-176.8	149.3	178.4	0	0	0	0	0	112.3
532	Q	33	Very low	32.4	Very low	169 Å²	169	160.8 Å²	160.8	79%	0.79	78%	0.78	S	S	*	*			trans	-82.1	137.9	-173.2	-59.4	-73.2	-0.9	0	0	111.3
533	R	34.9	Very low	32.9	Very low	222 Å²	222	156.7 Å²	156.7	84%	0.838	78%	0.78	S	S	*	*				62.1	133.8	67.3	-62.3	-173.1	177.2	-172.8	0.5	112.8
534	Y	26.8	Very low	33.1	Very low	228 Å²	228	156.8 Å²	156.8	89%	0.894	79%	0.787	S	S	*	*			cis	-143.6	-169.4	44.6	-168.7	-107.1	0	0	0	114.9
535	R	35	Very low	33.5	Very low	202 Å²	202	162.2 Å²	162.2	76%	0.762	80%	0.802	S	S	*	*			trans	-114	168.1	-171.6	-76.7	179.9	167.2	170	-5.8	114.5
536	P	40.6	Very low	33.9	Very low	131 Å²	131	155.4 Å²	155.4	85%	0.851	79%	0.785	S	S	*	*				-132.8	-172.1	111.9	38.7	-30.4	0	0	0	115.2
537	R	28.4	Very low	34.4	Very low	209 Å²	209	152.2 Å²	152.2	79%	0.789	78%	0.782	S	S	*	*			trans	-116.8	150	179	-67	170.9	168	160.7	-8.2	110.4
538	F	28.2	Very low	35.5	Very low	180 Å²	180	147.8 Å²	147.8	79%	0.789	77%	0.771	S	S	*	*				-174.5	-162.6	100.1	-122.6	-87.1	0	0	0	112.6
539	V	33.9	Very low	36.7	Very low	112 Å²	112	147.5 Å²	147.5	68%	0.679	77%	0.765	S	S	*	*			trans	-127.6	132.1	-154.9	175.9	0	0	0	0	113
540	H	31.5	Very low	37.8	Very low	179 Å²	179	147.3 Å²	147.3	83%	0.829	75%	0.751	S	S	*	*			trans	-170.7	160	152.6	-91.5	-34.8	0	0	0	108
541	T	34.7	Very low	38.6	Very low	126 Å²	126	150.7 Å²	150.7	77%	0.773	74%	0.743	S	S	*	*			cis	-148.2	172.4	5.2	-3.7	0	0	0	0	110.3
542	R	41.9	Very low	39.6	Very low	241 Å²	241	156 Å²	156	91%	0.909	75%	0.747	S	S	*	*			trans	-102.1	150.4	165	-75.8	-178.6	173.6	175.1	-3.5	111.3
543	P	44.4	Very low	40.7	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	74%	0.738	S	S	*	*				-129.3	174.7	127.5	37.3	-27.9	0	0	0	110.4
544	A	35.6	Very low	41.5	Very low	100 Å²	100	146 Å²	146	83%	0.826	73%	0.726	S	S	*	*			cis	-151.2	-174.4	-31.1	0	0	0	0	0	107.2
545	R	41.8	Very low	42.9	Very low	244 Å²	244	140.4 Å²	140.4	92%	0.921	71%	0.71	S	S	*	*			trans	-100	152.6	-177.7	-74.2	178.2	170.2	160.4	-6.5	113
546	S	40.8	Very low	43.8	Very low	60 Å²	60	137.1 Å²	137.1	42%	0.42	70%	0.699	S	S	.	*			trans	-68	170.2	159.4	50.9	0	0	0	0	112.1	I558	S546-I558 WeakPolarHBondContact CB-O 3.49Å
547	L	42.9	Very low	44.2	Very low	126 Å²	126	136.2 Å²	136.2	66%	0.66	69%	0.687	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.6	138.9	178.2	-88.4	166.9	0	0	0	111.8	I558	L547-I558 PolarHBondContact N-O 2.89Å; L547-I558 PolarHBondContact O-N 3.12Å
548	S	52.8	Low	45.4	Very low	71 Å²	71	130.9 Å²	130.9	50%	0.497	67%	0.673	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.5	137.8	176.4	-32.4	0	0	0	0	110.7	Y556 D557	S548-Y556 CarbonylContact C-O 3.55Å; S548-Y556 WeakPolarHBondContact CA-O 3.43Å; S548-D557 WeakPolarHBondContact CA-OD1 3.42Å; S548-D557 VanDerWaalsContact CB-OD1 3.23Å; S548-D557 WeakPolarHBondContact CB-OD1 3.38Å; S548-D557 PolarHBondContact OG-OD1 3.46Å
549	V	56	Low	46.3	Very low	95 Å²	95	128.8 Å²	128.8	58%	0.576	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132.6	137.3	172.5	-177.1	0	0	0	0	109.8	Y556	V549-Y556 PolarHBondContact N-O 3.2Å; V549-Y556 PolarHBondContact O-N 2.73Å
550	E	53.6	Low	47.1	Very low	120 Å²	120	129.4 Å²	129.4	56%	0.561	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.5	135.2	178.9	-166.6	171	-168.4	0	0	111.4	Q554 I555	E550-Q554 WeakPolarHBondContact CA-O 3.29Å; E550-I555 HydrophobicContact CB-CG1 3.98Å; E550-I555 HydrophobicContact CG-CG1 3.82Å
551	F	44.2	Very low	47.9	Very low	152 Å²	152	130 Å²	130	67%	0.667	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-144.2	136	170	-161	-97.7	0	0	0	109.9	G553 Q554	F551-G553 PolarHBondContact O-N 3.09Å; F551-Q554 PolarHBondContact N-O 3.29Å; F551-Q554 VanDerWaalsContact N-O 3.11Å; F551-Q554 PolarHBondContact O-N 2.83Å
552	E	50.4	Low	48.2	Very low	184 Å²	184	129 Å²	129	86%	0.86	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.7	35.1	-176.8	-68.7	-178.3	174.4	0	0	115.1
553	G	57.2	Low	48	Very low	57 Å²	57	125.7 Å²	125.7	59%	0.588	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.4	19.9	174.1	0	0	0	0	0	115.4	F551	F551-G553 PolarHBondContact O-N 3.09Å
554	Q	50.4	Low	47.5	Very low	125 Å²	125	126 Å²	126	58%	0.584	67%	0.672	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.6	135.1	168.2	-65.4	-172.8	0.8	0	0	111.2	E550 F551 Y556	E550-Q554 WeakPolarHBondContact CA-O 3.29Å; F551-Q554 PolarHBondContact N-O 3.29Å; F551-Q554 VanDerWaalsContact N-O 3.11Å; F551-Q554 PolarHBondContact O-N 2.83Å; Q554-Y556 HydrophobicContact CB-CE2 3.86Å; Q554-Y556 WeakPolarHBondContact O-CD2 3.45Å; Q554-Y556 PolarHBondContact OE1-OH 3.14Å
555	I	56.4	Low	47.2	Very low	110 Å²	110	128.5 Å²	128.5	56%	0.564	67%	0.666	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.8	131.2	-179.9	-55.2	174.3	0	0	0	109.4	E550	E550-I555 HydrophobicContact CB-CG1 3.98Å; E550-I555 HydrophobicContact CG-CG1 3.82Å
556	Y	54.8	Low	46.6	Very low	134 Å²	134	122.9 Å²	122.9	53%	0.525	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	124.2	176.7	-64.3	-95.7	0	0	0	110.1	S548 V549 Q554	S548-Y556 CarbonylContact C-O 3.55Å; S548-Y556 WeakPolarHBondContact CA-O 3.43Å; V549-Y556 PolarHBondContact N-O 3.2Å; V549-Y556 PolarHBondContact O-N 2.73Å; Q554-Y556 HydrophobicContact CB-CE2 3.86Å; Q554-Y556 WeakPolarHBondContact O-CD2 3.45Å; Q554-Y556 PolarHBondContact OE1-OH 3.14Å
557	D	48.4	Very low	45.9	Very low	112 Å²	112	123 Å²	123	60%	0.599	68%	0.675	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.3	132	169.2	-77.5	-48	0	0	0	110.6	S548	S548-D557 WeakPolarHBondContact CA-OD1 3.42Å; S548-D557 VanDerWaalsContact CB-OD1 3.23Å; S548-D557 WeakPolarHBondContact CB-OD1 3.38Å; S548-D557 PolarHBondContact OG-OD1 3.46Å
558	I	53.9	Low	45.3	Very low	97 Å²	97	125.4 Å²	125.4	50%	0.497	69%	0.687	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.2	125.9	174.5	-58.1	178.2	0	0	0	109	S546 L547 L560	S546-I558 WeakPolarHBondContact CB-O 3.49Å; L547-I558 PolarHBondContact N-O 2.89Å; L547-I558 PolarHBondContact O-N 3.12Å; I558-L560 HydrophobicContact CG2-CD2 3.92Å; I558-L560 HydrophobicContact CG2-CG 4.32Å
559	D	46.6	Very low	43.9	Very low	135 Å²	135	133.5 Å²	133.5	72%	0.722	71%	0.707	S	S	*	*			trans	-102.4	144.4	171.3	-161.2	-1.2	0	0	0	110.2
560	L	51.8	Low	42.5	Very low	126 Å²	126	140.4 Å²	140.4	66%	0.66	72%	0.722	S	S	*	*			trans	-125.2	44.6	-160.6	-69.5	175.3	0	0	0	113.2	I558	I558-L560 HydrophobicContact CG2-CD2 3.92Å; I558-L560 HydrophobicContact CG2-CG 4.32Å
561	Q	48.2	Very low	41.2	Very low	190 Å²	190	147.2 Å²	147.2	89%	0.888	74%	0.743	S	S	*	*			trans	-166.2	74.7	169.4	-120.8	152.6	102	0	0	116
562	A	39.7	Very low	40.3	Very low	107 Å²	107	143.2 Å²	143.2	88%	0.884	75%	0.745	S	S	*	*			trans	-169.5	106.8	149.5	0	0	0	0	0	112
563	D	39.1	Very low	39.1	Very low	170 Å²	170	142.9 Å²	142.9	91%	0.909	75%	0.747	S	S	*	*			trans	-125.5	151	149.6	-149.1	-9.6	0	0	0	107.4
564	D	33.6	Very low	37.6	Very low	132 Å²	132	145 Å²	145	71%	0.706	75%	0.753	S	S	*	*			trans	109.7	143.4	172.9	-154.2	24.8	0	0	0	119.5
565	Q	27.9	Very low	36.5	Very low	151 Å²	151	148.6 Å²	148.6	71%	0.706	77%	0.766	S	S	*	*			trans	78.7	115	163.6	-46.2	-159.5	7.5	0	0	122.5
566	S	29.1	Very low	35	Very low	126 Å²	126	153 Å²	153	88%	0.881	78%	0.776	S	S	*	*			trans	77.4	150	148.3	82.1	0	0	0	0	117.5
567	G	28	Very low	33.6	Very low	63 Å²	63	154.1 Å²	154.1	65%	0.649	79%	0.786	S	S	*	*			cis	135	95.8	1.8	0	0	0	0	0	110.7	R569	G567-R569 PolarHBondContact O-N 3.44Å
568	I	28.6	Very low	32.6	Very low	177 Å²	177	158.7 Å²	158.7	91%	0.908	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-67	116.7	-167.9	-61.8	175.4	0	0	0	111.5
569	R	24.8	Very low	31.3	Very low	240 Å²	240	158.5 Å²	158.5	91%	0.906	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.1	172.4	-73.7	-179.1	170.4	-175	-1.6	111.5	G567	G567-R569 PolarHBondContact O-N 3.44Å
570	R	26.1	Very low	30.4	Very low	240 Å²	240	156.4 Å²	156.4	91%	0.906	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90.9	142.1	146	-72.1	-176.3	173.1	-167.4	-1.5	109
571	R	25.8	Very low	29.2	Very low	263 Å²	263	158.7 Å²	158.7	99%	0.992	81%	0.812	S	S	*	*			trans	-171.3	150.8	147.1	-113	171.9	-167	-161	3.4	114.2
572	G	25.4	Very low	28.1	Very low	68 Å²	68	157 Å²	157	70%	0.701	81%	0.809	S	S	*	*			trans	132.9	125.5	178.6	0	0	0	0	0	109.6
573	I	25.6	Very low	28.5	Very low	178 Å²	178	157.1 Å²	157.1	91%	0.913	80%	0.801	S	S	*	*			cis	-135.1	166.3	-4.3	-72.9	176.2	0	0	0	108.1
574	S	24.5	Very low	27.8	Very low	102 Å²	102	157.4 Å²	157.4	71%	0.713	80%	0.797	S	S	*	*			trans	-137.2	140.7	177	176.2	0	0	0	0	111.7
575	K	28.2	Very low	27.5	Very low	199 Å²	199	161 Å²	161	87%	0.865	80%	0.802	S	S	*	*			trans	-179.8	162.8	151.1	-102	171	-179	-173	0	109.5
576	R	24.8	Very low	27.3	Very low	204 Å²	204	160 Å²	160	77%	0.77	80%	0.802	S	S	*	*				-175	170.8	-57.4	-132	-171.3	-178.6	-172.3	-0.1	108.2
577	H	26.5	Very low	27.4	Very low	156 Å²	156	161.3 Å²	161.3	72%	0.722	80%	0.797	S	S	*	*			trans	76.8	151.3	172.4	-53.4	-71.8	0	0	0	115.2
578	Y	25.8	Very low	27.3	Very low	209 Å²	209	161.6 Å²	161.6	82%	0.82	80%	0.801	S	S	*	*			cis	-140.4	174.8	-2.4	-152.6	-94	0	0	0	109.7
579	A	27.9	Very low	27.2	Very low	92 Å²	92	158.9 Å²	158.9	76%	0.76	80%	0.798	S	S	*	*			trans	-152.5	131.5	174.4	0	0	0	0	0	113.5
580	S	26.2	Very low	27.5	Very low	91 Å²	91	154.8 Å²	154.8	64%	0.636	79%	0.794	S	S	*	*			trans	163.3	145.5	175.8	149	0	0	0	0	105.8
581	E	26.2	Very low	27.6	Very low	174 Å²	174	151.1 Å²	151.1	81%	0.813	79%	0.792	S	S	*	*			cis	-158.4	179.6	-14.4	-107.3	152	146	0	0	108.2
582	D	25.5	Very low	28	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	77%	0.771	S	S	*	*			trans	-61.5	177.5	180	-70.7	-59.5	0	0	0	115.1
583	P	48.3	Very low	28.2	Very low	109 Å²	109	143.8 Å²	143.8	71%	0.708	78%	0.778	S	S	*	*			cis	-142.7	-171.4	12.3	38	-14.8	0	0	0	118.5
584	E	25.4	Very low	28.5	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	78%	0.776	S	S	*	*			trans	105.1	166.3	138	-135.3	154.6	-143.8	0	0	121.7
585	Y	25.8	Very low	28.9	Very low	208 Å²	208	147 Å²	147	82%	0.816	78%	0.778	S	S	*	*			trans	-64.2	167.6	-167.2	-74.9	-121.5	0	0	0	112.9
586	D	25.2	Very low	28.9	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	78%	0.779	S	S	*	*			cis	-169.7	-175.3	43.9	-158.2	13.6	0	0	0	115.2
587	L	29.6	Very low	29.3	Very low	152 Å²	152	143 Å²	143	80%	0.796	78%	0.777	S	S	*	*			trans	-12.6	137.9	166.5	-72.7	164.2	0	0	0	122.4
588	G	27.9	Very low	29.5	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	78%	0.777	S	S	*	*				96.1	150.8	106	0	0	0	0	0	121.4
589	S	26	Very low	29.5	Very low	120 Å²	120	137.4 Å²	137.4	84%	0.839	78%	0.779	S	S	*	*			trans	61.5	140.8	177.8	-109.7	0	0	0	0	116.6
590	D	31.2	Very low	30	Very low	154 Å²	154	139.4 Å²	139.4	82%	0.824	78%	0.777	S	S	*	*			cis	72.8	92.8	18.5	-154.4	45	0	0	0	115.6
591	D	28.2	Very low	30.2	Very low	163 Å²	163	140.7 Å²	140.7	87%	0.872	78%	0.781	S	S	*	*			trans	-157.3	161.9	131.9	-159.9	0.8	0	0	0	108.8
592	G	34.7	Very low	30.7	Very low	53 Å²	53	139.9 Å²	139.9	55%	0.546	78%	0.782	S	S	.	*			trans	-125.3	178.2	-179.8	0	0	0	0	0	113.4
593	S	29.5	Very low	31.2	Very low	123 Å²	123	136.5 Å²	136.5	86%	0.86	78%	0.776	S	S	*	*			trans	-151.3	128	165.6	-50.7	0	0	0	0	111.3
594	E	30.9	Very low	30.8	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	78%	0.779	S	S	*	*			trans	-38.1	132.2	171	-61.8	162.6	139.7	0	0	112.8
595	E	32.4	Very low	31.4	Very low	161 Å²	161	131.9 Å²	131.9	75%	0.752	77%	0.77	S	S	*	*				63.5	105.8	66.5	-170.2	169.8	-103.8	0	0	113.3
596	M	27.8	Very low	32.4	Very low	181 Å²	181	129 Å²	129	89%	0.892	76%	0.758	S	S	*	*			trans	-138.7	116.9	156.4	-88.8	-63.5	-66.5	0	0	109.4
597	L	33.2	Very low	33.6	Very low	139 Å²	139	129.8 Å²	129.8	73%	0.728	76%	0.762	S	S	*	*			trans	-67.3	165.2	166.6	-60	169	0	0	0	110
598	A	31.4	Very low	34.7	Very low	87 Å²	87	128.4 Å²	128.4	72%	0.719	76%	0.755	S	S	*	*			cis	-174.5	164.2	-26.3	0	0	0	0	0	105.9
599	D	26.8	Very low	36	Very low	160 Å²	160	127 Å²	127	86%	0.856	74%	0.735	S	S	*	*			trans	-154.1	136.6	141.7	-153	-5	0	0	0	110.2
600	D	38	Very low	37.9	Very low	135 Å²	135	125.8 Å²	125.8	72%	0.722	72%	0.722	S	S	*	*			trans	-139.1	120.1	-168.9	-155.5	-5.9	0	0	0	109.1
601	T	31.1	Very low	39.5	Very low	117 Å²	117	124.5 Å²	124.5	72%	0.718	71%	0.709	S	S	*	*			trans	-148.2	131.5	166.5	18.8	0	0	0	0	112.6
602	N	35.4	Very low	41.3	Very low	157 Å²	157	120.8 Å²	120.8	84%	0.84	69%	0.692	S	S	*	*	S	Bend	trans	75.1	43	167.4	-56	-53.6	0	0	0	118.5
603	A	36.5	Very low	43.1	Very low	86 Å²	86	119.1 Å²	119.1	71%	0.711	67%	0.671	S	S	*	*			trans	-114	95.8	148.7	0	0	0	0	0	110.4	G605	A603-G605 PolarHBondContact O-N 3.07Å
604	V	40	Very low	45	Very low	125 Å²	125	118.3 Å²	118.3	76%	0.758	65%	0.654	S	S	*	*			trans	-70.2	98.3	176.1	-180	0	0	0	0	109.3	Y606	V604-Y606 PolarHBondContact O-N 2.72Å; V604-Y606 VanDerWaalsContact O-N 3.14Å
605	G	38.3	Very low	47.1	Very low	61 Å²	61	111.9 Å²	111.9	63%	0.629	62%	0.623	S	S	*	*			trans	-67.4	105.8	-177.4	0	0	0	0	0	112.9	A603 L607	A603-G605 PolarHBondContact O-N 3.07Å; G605-L607 PolarHBondContact O-N 3.29Å; G605-L607 VanDerWaalsContact O-N 3.15Å
606	Y	45.9	Very low	49.5	Very low	147 Å²	147	104.8 Å²	104.8	58%	0.576	59%	0.591	S	S	*	*			trans	-69.6	105.8	165	-74.7	-89	0	0	0	109.4	V604 N608 S609 L619	V604-Y606 PolarHBondContact O-N 2.72Å; V604-Y606 VanDerWaalsContact O-N 3.14Å; Y606-N608 PolarHBondContact O-N 2.94Å; Y606-S609 PolarHBondContact O-N 3.49Å; Y606-S609 PolarHBondContact O-OG 3.09Å; Y606-L619 HydrophobicContact CD1-CD2 4.04Å; Y606-L619 HydrophobicContact CD2-CD2 4.06Å; Y606-L619 HydrophobicContact CG-CD2 3.72Å
607	L	49.8	Very low	52	Low	149 Å²	149	99.1 Å²	99.1	78%	0.78	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	135	171.3	-80.9	85.8	0	0	0	109.6	G605	G605-L607 PolarHBondContact O-N 3.29Å; G605-L607 VanDerWaalsContact O-N 3.15Å
608	N	53.3	Low	54.2	Low	122 Å²	122	95.3 Å²	95.3	65%	0.652	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	30.8	179.7	-50.4	-32.9	0	0	0	116.1	Y606 M620	Y606-N608 PolarHBondContact O-N 2.94Å; N608-M620 HydrophobicContact CB-CE 3.76Å; N608-M620 HydrophobicContact CB-CG 4.21Å; N608-M620 HydrophobicContact CB-SD 3.65Å; N608-M620 WeakPolarHBondContact O-CG 3.38Å
609	S	56.4	Low	56.3	Low	41 Å²	41	92.4 Å²	92.4	29%	0.287	51%	0.512	S	S	.	.			trans	-81.3	139	162.7	62.7	0	0	0	0	112.1	Y606 I618	Y606-S609 PolarHBondContact O-N 3.49Å; Y606-S609 PolarHBondContact O-OG 3.09Å; S609-I618 CarbonylContact C-O 3.49Å; S609-I618 VanDerWaalsContact CA-O 3.3Å; S609-I618 WeakPolarHBondContact CA-O 3.49Å; S609-I618 WeakPolarHBondContact CB-O 3.28Å
610	V	65.4	Low	58.3	Low	95 Å²	95	91.9 Å²	91.9	58%	0.576	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.4	175	179.4	0	0	0	0	108.9	V612 I618	V610-V612 PolarHBondContact O-N 2.73Å; V610-I618 HydrophobicContact CB-CB 4.41Å; V610-I618 PolarHBondContact N-O 3.37Å; V610-I618 PolarHBondContact O-N 3.28Å
611	K	65.2	Low	59.8	Low	127 Å²	127	90.3 Å²	90.3	55%	0.552	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	116.7	177.2	-170.4	166	-172.6	153.2	0	110.2	T613 Y617	K611-T613 VanDerWaalsContact CE-O 3.31Å; K611-T613 WeakPolarHBondContact CE-O 3.44Å; K611-T613 VanDerWaalsContact CG-O 3.29Å; K611-T613 WeakPolarHBondContact CG-O 3.49Å; K611-Y617 HydrophobicContact CB-CD1 4.04Å; K611-Y617 HydrophobicContact CB-CE1 4.14Å; K611-Y617 HydrophobicContact CD-CD1 4.41Å; K611-Y617 HydrophobicContact CD-CE1 3.67Å; K611-Y617 HydrophobicContact CG-CD1 3.96Å; K611-Y617 HydrophobicContact CG-CE1 3.68Å; K611-Y617 PolarHBondContact NZ-OH 2.72Å
612	V	65.2	Low	61.4	Low	84 Å²	84	91.8 Å²	91.8	51%	0.509	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-34.6	-177.6	-179.6	0	0	0	0	111.6	V610 C616 I618	V610-V612 PolarHBondContact O-N 2.73Å; V612-C616 PolarHBondContact N-O 3.28Å; V612-I618 HydrophobicContact CG2-CD1 3.59Å; V612-I618 HydrophobicContact CG2-CG1 3.75Å
613	T	72.7	Confident	63.1	Low	18 Å²	18	87.6 Å²	87.6	11%	0.11	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	175.3	167.3	60.5	0	0	0	0	109.8	K611 K615 C616 H640 Y643 V644	K611-T613 VanDerWaalsContact CE-O 3.31Å; K611-T613 WeakPolarHBondContact CE-O 3.44Å; K611-T613 VanDerWaalsContact CG-O 3.29Å; K611-T613 WeakPolarHBondContact CG-O 3.49Å; T613-K615 PolarHBondContact O-N 3.24Å; T613-C616 PolarHBondContact N-O 2.82Å; T613-C616 PolarHBondContact O-N 2.79Å; T613-C616 WeakPolarHBondContact OG1-CB 3.21Å; T613-C616 PolarHBondContact OG1-N 3.33Å; T613-C616 VanDerWaalsContact OG1-N 3.13Å; T613-H640 PolarHBondContact OG1-NE2 2.85Å; T613-Y643 HydrophobicContact CG2-CE1 4.31Å; T613-V644 HydrophobicContact CG2-CG2 3.67Å
614	H	68.7	Low	65.3	Low	106 Å²	106	89 Å²	89	49%	0.491	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.3	177.1	60.1	-82.9	0	0	0	113.8	Y617	H614-Y617 PolarHBondContact O-OH 3.38Å
615	K	76.1	Confident	67	Low	51 Å²	51	88 Å²	88	22%	0.222	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	2.6	179.1	-61.8	-169.1	169.1	-90.4	0	116.2	T613 C626 E627 E629 I630	T613-K615 PolarHBondContact O-N 3.24Å; K615-C626 VanDerWaalsContact O-CA 3.3Å; K615-C626 WeakPolarHBondContact O-CA 3.2Å; K615-E627 WeakPolarHBondContact CA-OE1 3.38Å; K615-E627 HydrophobicContact CB-CB 4.33Å; K615-E627 HydrophobicContact CB-CG 4.17Å; K615-E627 VanDerWaalsContact CD-OE2 3.29Å; K615-E627 WeakPolarHBondContact CD-OE2 3.42Å; K615-E627 WeakPolarHBondContact CE-OE2 3.3Å; K615-E627 VanDerWaalsContact CG-OE2 3.26Å; K615-E627 WeakPolarHBondContact CG-OE2 3.42Å; K615-E627 IonicContact NZ-OE2 3.16Å; K615-E627 PolarHBondContact NZ-OE2 3.37Å; K615-E627 PolarHBondContact O-N 3.41Å; K615-E629 IonicContact NZ-OE2 2.76Å; K615-E629 PolarHBondContact NZ-OE2 3.06Å; K615-I630 HydrophobicContact CB-CD1 3.54Å; K615-I630 HydrophobicContact CD-CD1 3.97Å; K615-I630 HydrophobicContact CD-CG1 4.26Å; K615-I630 HydrophobicContact CG-CD1 4.38Å
616	C	81.3	Confident	69.2	Low	13 Å²	13	85.7 Å²	85.7	9%	0.088	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.3	-178	-61.3	0	0	0	0	113.8	V612 T613 H625 C626	V612-C616 PolarHBondContact N-O 3.28Å; T613-C616 PolarHBondContact N-O 2.82Å; T613-C616 PolarHBondContact O-N 2.79Å; T613-C616 WeakPolarHBondContact OG1-CB 3.21Å; T613-C616 PolarHBondContact OG1-N 3.33Å; T613-C616 VanDerWaalsContact OG1-N 3.13Å; C616-H625 CarbonylContact C-O 3.46Å; C616-H625 WeakPolarHBondContact CA-O 3.38Å; C616-C626 HydrophobicContact CB-CB 4.11Å; C616-C626 WeakPolarHBondContact CB-SG 3.37Å; C616-C626 WeakPolarHBondContact SG-CB 3.23Å; C616-C626 CovalentContact SG-SG 2.04Å; C616-C626 PolarHBondContact SG-SG 3.29Å
617	Y	80.9	Confident	71	Confident	61 Å²	61	81.9 Å²	81.9	24%	0.239	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.6	-168.7	-52.7	-98.9	0	0	0	110.2	K611 H614 H625	K611-Y617 HydrophobicContact CB-CD1 4.04Å; K611-Y617 HydrophobicContact CB-CE1 4.14Å; K611-Y617 HydrophobicContact CD-CD1 4.41Å; K611-Y617 HydrophobicContact CD-CE1 3.67Å; K611-Y617 HydrophobicContact CG-CD1 3.96Å; K611-Y617 HydrophobicContact CG-CE1 3.68Å; K611-Y617 PolarHBondContact NZ-OH 2.72Å; H614-Y617 PolarHBondContact O-OH 3.38Å; Y617-H625 PolarHBondContact N-O 2.66Å; Y617-H625 PolarHBondContact O-N 3.09Å
618	I	79.4	Confident	72.2	Confident	59 Å²	59	84.4 Å²	84.4	30%	0.303	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.9	168.3	-65.6	172.3	0	0	0	108.3	S609 V610 V612 I624	S609-I618 CarbonylContact C-O 3.49Å; S609-I618 VanDerWaalsContact CA-O 3.3Å; S609-I618 WeakPolarHBondContact CA-O 3.49Å; S609-I618 WeakPolarHBondContact CB-O 3.28Å; V610-I618 HydrophobicContact CB-CB 4.41Å; V610-I618 PolarHBondContact N-O 3.37Å; V610-I618 PolarHBondContact O-N 3.28Å; V612-I618 HydrophobicContact CG2-CD1 3.59Å; V612-I618 HydrophobicContact CG2-CG1 3.75Å; I618-I624 HydrophobicContact CG1-CG1 4.31Å
619	L	76.3	Confident	73.2	Confident	27 Å²	27	84 Å²	84	14%	0.141	42%	0.418	C	S	.	.			trans	-88	162.1	175.1	-62	175.8	0	0	0	110.8	Y606 N621 D622 T623 H625	Y606-L619 HydrophobicContact CD1-CD2 4.04Å; Y606-L619 HydrophobicContact CD2-CD2 4.06Å; Y606-L619 HydrophobicContact CG-CD2 3.72Å; L619-N621 VanDerWaalsContact CB-OD1 3.25Å; L619-N621 WeakPolarHBondContact CB-OD1 3.28Å; L619-N621 PolarHBondContact O-N 3.01Å; L619-D622 PolarHBondContact O-N 3.29Å; L619-D622 VanDerWaalsContact O-N 3.07Å; L619-T623 PolarHBondContact N-O 3.38Å; L619-H625 HydrophobicContact CD1-CB 4.3Å
620	M	67.8	Low	74.3	Confident	148 Å²	148	82.6 Å²	82.6	73%	0.729	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-1	-174.8	-54.2	-170.1	86.5	0	0	115.6	N608	N608-M620 HydrophobicContact CB-CE 3.76Å; N608-M620 HydrophobicContact CB-CG 4.21Å; N608-M620 HydrophobicContact CB-SD 3.65Å; N608-M620 WeakPolarHBondContact O-CG 3.38Å
621	N	69.9	Low	74.9	Confident	102 Å²	102	84.7 Å²	84.7	55%	0.545	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	19.6	177.7	66.5	-19.2	0	0	0	112.1	L619 T623	L619-N621 VanDerWaalsContact CB-OD1 3.25Å; L619-N621 WeakPolarHBondContact CB-OD1 3.28Å; L619-N621 PolarHBondContact O-N 3.01Å; N621-T623 WeakPolarHBondContact ND2-CG2 3.5Å; N621-T623 PolarHBondContact ND2-OG1 3.18Å; N621-T623 VanDerWaalsContact ND2-OG1 3.16Å; N621-T623 PolarHBondContact O-N 2.89Å; N621-T623 VanDerWaalsContact O-N 3.08Å; N621-T623 PolarHBondContact OD1-N 3.24Å; N621-T623 PolarHBondContact OD1-OG1 3.29Å
622	D	65.1	Low	75.3	Confident	148 Å²	148	86 Å²	86	79%	0.791	41%	0.414	S	S	*	.	S	Bend	trans	58.4	10.4	-173.6	-63.5	-37.9	0	0	0	115.7	L619	L619-D622 PolarHBondContact O-N 3.29Å; L619-D622 VanDerWaalsContact O-N 3.07Å
623	T	70.6	Confident	76.1	Confident	70 Å²	70	84.5 Å²	84.5	43%	0.429	41%	0.407	S	S	.	.			trans	-86.7	136.9	174.6	71.3	0	0	0	0	111.8	L619 N621	L619-T623 PolarHBondContact N-O 3.38Å; N621-T623 WeakPolarHBondContact ND2-CG2 3.5Å; N621-T623 PolarHBondContact ND2-OG1 3.18Å; N621-T623 VanDerWaalsContact ND2-OG1 3.16Å; N621-T623 PolarHBondContact O-N 2.89Å; N621-T623 VanDerWaalsContact O-N 3.08Å; N621-T623 PolarHBondContact OD1-N 3.24Å; N621-T623 PolarHBondContact OD1-OG1 3.29Å
624	I	82.6	Confident	76	Confident	115 Å²	115	87.8 Å²	87.8	59%	0.59	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.3	-179.3	-56	173.6	0	0	0	109.7	I618	I618-I624 HydrophobicContact CG1-CG1 4.31Å
625	H	76.2	Confident	76.5	Confident	103 Å²	103	89.7 Å²	89.7	48%	0.477	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.8	171.2	-166.3	75.5	0	0	0	110.1	C616 Y617 L619	C616-H625 CarbonylContact C-O 3.46Å; C616-H625 WeakPolarHBondContact CA-O 3.38Å; Y617-H625 PolarHBondContact N-O 2.66Å; Y617-H625 PolarHBondContact O-N 3.09Å; L619-H625 HydrophobicContact CD1-CB 4.3Å
626	C	85.4	Confident	76.5	Confident	14 Å²	14	89 Å²	89	10%	0.095	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153	173.4	-65.4	0	0	0	0	110.5	K615 C616 I630 Y631	K615-C626 VanDerWaalsContact O-CA 3.3Å; K615-C626 WeakPolarHBondContact O-CA 3.2Å; C616-C626 HydrophobicContact CB-CB 4.11Å; C616-C626 WeakPolarHBondContact CB-SG 3.37Å; C616-C626 WeakPolarHBondContact SG-CB 3.23Å; C616-C626 CovalentContact SG-SG 2.04Å; C616-C626 PolarHBondContact SG-SG 3.29Å; C626-I630 HydrophobicContact CB-CD1 4.16Å; C626-Y631 HydrophobicContact CB-CE2 3.72Å
627	E	82.5	Confident	76.7	Confident	66 Å²	66	94 Å²	94	31%	0.308	46%	0.458	S	S	.	.			trans	-56.1	140.3	175	-70.7	170.8	-155.2	0	0	112.6	K615 E629 I630	K615-E627 WeakPolarHBondContact CA-OE1 3.38Å; K615-E627 HydrophobicContact CB-CB 4.33Å; K615-E627 HydrophobicContact CB-CG 4.17Å; K615-E627 VanDerWaalsContact CD-OE2 3.29Å; K615-E627 WeakPolarHBondContact CD-OE2 3.42Å; K615-E627 WeakPolarHBondContact CE-OE2 3.3Å; K615-E627 VanDerWaalsContact CG-OE2 3.26Å; K615-E627 WeakPolarHBondContact CG-OE2 3.42Å; K615-E627 IonicContact NZ-OE2 3.16Å; K615-E627 PolarHBondContact NZ-OE2 3.37Å; K615-E627 PolarHBondContact O-N 3.41Å; E627-E629 PolarHBondContact O-N 3.43Å; E627-E629 VanDerWaalsContact O-N 3.12Å; E627-I630 WeakPolarHBondContact O-CB 3.24Å; E627-I630 PolarHBondContact O-N 3.18Å; E627-I630 VanDerWaalsContact O-N 3.13Å
628	R	74.4	Confident	76.8	Confident	203 Å²	203	96.8 Å²	96.8	77%	0.766	47%	0.472	S	S	*	.	H	α-helix	trans	-58.4	-30.7	-172.3	-71.2	-178.8	174.1	177.8	-1.3	113.8	I630 Y631 Q632	R628-I630 PolarHBondContact O-N 3Å; R628-Y631 PolarHBondContact O-N 2.75Å; R628-Y631 VanDerWaalsContact O-N 3.07Å; R628-Q632 WeakPolarHBondContact O-CG 3.31Å; R628-Q632 PolarHBondContact O-N 2.89Å; R628-Q632 VanDerWaalsContact O-N 3.16Å
629	E	75.4	Confident	76.9	Confident	114 Å²	114	98.3 Å²	98.3	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-54.1	-39.3	178.1	-56.9	-177.8	153.3	0	0	112.7	K615 E627 Y631 Q632 S633	K615-E629 IonicContact NZ-OE2 2.76Å; K615-E629 PolarHBondContact NZ-OE2 3.06Å; E627-E629 PolarHBondContact O-N 3.43Å; E627-E629 VanDerWaalsContact O-N 3.12Å; E629-Y631 PolarHBondContact O-N 3.21Å; E629-Q632 PolarHBondContact O-N 2.74Å; E629-S633 PolarHBondContact O-N 2.99Å
630	I	79.6	Confident	77.3	Confident	10 Å²	10	98.1 Å²	98.1	5%	0.051	48%	0.479	C	S	.	.	H	α-helix	trans	-62	-33.9	-179.4	-69.2	167.9	0	0	0	110.9	K615 C626 E627 R628 W637	K615-I630 HydrophobicContact CB-CD1 3.54Å; K615-I630 HydrophobicContact CD-CD1 3.97Å; K615-I630 HydrophobicContact CD-CG1 4.26Å; K615-I630 HydrophobicContact CG-CD1 4.38Å; C626-I630 HydrophobicContact CB-CD1 4.16Å; E627-I630 WeakPolarHBondContact O-CB 3.24Å; E627-I630 PolarHBondContact O-N 3.18Å; E627-I630 VanDerWaalsContact O-N 3.13Å; R628-I630 PolarHBondContact O-N 3Å; I630-W637 VanDerWaalsContact O-CB 3.31Å; I630-W637 WeakPolarHBondContact O-CB 3.4Å
631	Y	76.9	Confident	78.2	Confident	140 Å²	140	95.3 Å²	95.3	55%	0.549	46%	0.462	S	S	.	.	H	α-helix	trans	-89.3	-19	179.9	-58.6	-68	0	0	0	113.6	C626 R628 E629	C626-Y631 HydrophobicContact CB-CE2 3.72Å; R628-Y631 PolarHBondContact O-N 2.75Å; R628-Y631 VanDerWaalsContact O-N 3.07Å; E629-Y631 PolarHBondContact O-N 3.21Å
632	Q	74.8	Confident	78.8	Confident	155 Å²	155	93 Å²	93	72%	0.724	45%	0.454	S	S	*	.	H	α-helix	trans	-81.5	-26.4	-178.6	-73.7	173.9	-7.3	0	0	113.4	R628 E629	R628-Q632 WeakPolarHBondContact O-CG 3.31Å; R628-Q632 PolarHBondContact O-N 2.89Å; R628-Q632 VanDerWaalsContact O-N 3.16Å; E629-Q632 PolarHBondContact O-N 2.74Å
633	S	81.1	Confident	79.7	Confident	52 Å²	52	90.5 Å²	90.5	36%	0.364	43%	0.434	S	S	.	.			trans	-118.4	118.2	179.4	174.8	0	0	0	0	112.1	E629 K635 A636 W637	E629-S633 PolarHBondContact O-N 2.99Å; S633-K635 PolarHBondContact O-N 3.38Å; S633-K635 VanDerWaalsContact O-N 3.08Å; S633-K635 PolarHBondContact OG-N 3.34Å; S633-A636 PolarHBondContact O-N 2.92Å; S633-A636 VanDerWaalsContact O-N 3.11Å; S633-A636 PolarHBondContact OG-N 2.93Å; S633-W637 PolarHBondContact O-N 2.88Å
634	S	72	Confident	80.3	Confident	87 Å²	87	89.1 Å²	89.1	61%	0.608	43%	0.425	S	S	*	.	H	α-helix	trans	-59.9	-19.4	174.3	-171.8	0	0	0	0	113.3	K638	S634-K638 WeakPolarHBondContact O-CD 3.18Å; S634-K638 VanDerWaalsContact O-CG 3.27Å; S634-K638 WeakPolarHBondContact O-CG 3.16Å
635	K	78.3	Confident	80.1	Confident	146 Å²	146	87 Å²	87	64%	0.635	42%	0.416	S	S	*	.	H	α-helix	trans	-79.8	-52.8	170.9	-170.3	-178.2	175.5	-168.5	0	111	S633 W637 K638 D639	S633-K635 PolarHBondContact O-N 3.38Å; S633-K635 VanDerWaalsContact O-N 3.08Å; S633-K635 PolarHBondContact OG-N 3.34Å; K635-W637 PolarHBondContact O-N 2.92Å; K635-K638 PolarHBondContact O-N 2.89Å; K635-D639 VanDerWaalsContact CE-OD2 3.22Å; K635-D639 WeakPolarHBondContact CE-OD2 3.04Å; K635-D639 WeakPolarHBondContact CG-OD2 3.46Å; K635-D639 VanDerWaalsContact O-CG 3.3Å; K635-D639 PolarHBondContact O-N 3.42Å
636	A	77.2	Confident	80.4	Confident	36 Å²	36	87.7 Å²	87.7	30%	0.298	42%	0.419	S	S	.	.	H	α-helix	trans	-56.6	-38.4	178.6	0	0	0	0	0	112.3	S633 H640	S633-A636 PolarHBondContact O-N 2.92Å; S633-A636 VanDerWaalsContact O-N 3.11Å; S633-A636 PolarHBondContact OG-N 2.93Å; A636-H640 VanDerWaalsContact O-CB 3.26Å; A636-H640 WeakPolarHBondContact O-CB 3.43Å; A636-H640 PolarHBondContact O-N 3.26Å
637	W	85.1	Confident	80.3	Confident	117 Å²	117	91.1 Å²	91.1	44%	0.443	43%	0.434	S	S	.	.	H	α-helix	trans	-59	-46.2	173.3	-171	82.5	0	0	0	113.1	I630 S633 K635 K641	I630-W637 VanDerWaalsContact O-CB 3.31Å; I630-W637 WeakPolarHBondContact O-CB 3.4Å; S633-W637 PolarHBondContact O-N 2.88Å; K635-W637 PolarHBondContact O-N 2.92Å; W637-K641 HydrophobicContact CH2-CD 3.92Å; W637-K641 HydrophobicContact CZ2-CD 4.44Å; W637-K641 HydrophobicContact CZ3-CD 4.17Å; W637-K641 VanDerWaalsContact O-CB 3.23Å; W637-K641 WeakPolarHBondContact O-CB 2.96Å; W637-K641 PolarHBondContact O-N 3.28Å
638	K	81.4	Confident	80.3	Confident	121 Å²	121	91.9 Å²	91.9	53%	0.526	44%	0.439	S	S	.	.	H	α-helix	trans	-69.3	-43.7	-179.4	-73.2	173.6	-174.7	171.6	0	111.6	S634 K635 K641 S642	S634-K638 WeakPolarHBondContact O-CD 3.18Å; S634-K638 VanDerWaalsContact O-CG 3.27Å; S634-K638 WeakPolarHBondContact O-CG 3.16Å; K635-K638 PolarHBondContact O-N 2.89Å; K638-K641 PolarHBondContact O-N 3Å; K638-S642 WeakPolarHBondContact O-CB 3.48Å; K638-S642 PolarHBondContact O-N 3.12Å
639	D	82.3	Confident	80.7	Confident	90 Å²	90	88.8 Å²	88.8	48%	0.481	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-45.5	-178.7	-61.8	-7.6	0	0	0	109.9	K635 S642 Y643	K635-D639 VanDerWaalsContact CE-OD2 3.22Å; K635-D639 WeakPolarHBondContact CE-OD2 3.04Å; K635-D639 WeakPolarHBondContact CG-OD2 3.46Å; K635-D639 VanDerWaalsContact O-CG 3.3Å; K635-D639 PolarHBondContact O-N 3.42Å; D639-S642 PolarHBondContact O-N 3.02Å; D639-Y643 PolarHBondContact O-N 3.25Å
640	H	84.6	Confident	80.9	Confident	23 Å²	23	86.1 Å²	86.1	11%	0.106	43%	0.43	C	S	.	.	H	α-helix	trans	-68.2	-37.4	176	-163.9	74.8	0	0	0	113	T613 A636 Y643 V644	T613-H640 PolarHBondContact OG1-NE2 2.85Å; A636-H640 VanDerWaalsContact O-CB 3.26Å; A636-H640 WeakPolarHBondContact O-CB 3.43Å; A636-H640 PolarHBondContact O-N 3.26Å; H640-Y643 PolarHBondContact O-N 3.02Å; H640-V644 WeakPolarHBondContact O-CG2 3.1Å; H640-V644 PolarHBondContact O-N 2.85Å
641	K	86.6	Confident	81.1	Confident	90 Å²	90	89.5 Å²	89.5	39%	0.391	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-45.8	172.8	-169.1	-156.2	178	-58.7	0	111.1	W637 K638 Y643 V644 D645	W637-K641 HydrophobicContact CH2-CD 3.92Å; W637-K641 HydrophobicContact CZ2-CD 4.44Å; W637-K641 HydrophobicContact CZ3-CD 4.17Å; W637-K641 VanDerWaalsContact O-CB 3.23Å; W637-K641 WeakPolarHBondContact O-CB 2.96Å; W637-K641 PolarHBondContact O-N 3.28Å; K638-K641 PolarHBondContact O-N 3Å; K641-Y643 VanDerWaalsContact C-N 3.25Å; K641-Y643 PolarHBondContact O-N 3.06Å; K641-V644 PolarHBondContact O-N 3.01Å; K641-V644 VanDerWaalsContact O-N 3.15Å; K641-D645 IonicContact NZ-OD1 2.66Å; K641-D645 PolarHBondContact NZ-OD1 3.31Å; K641-D645 IonicContact NZ-OD2 2.7Å; K641-D645 PolarHBondContact NZ-OD2 3.1Å; K641-D645 PolarHBondContact O-N 2.64Å
642	S	82.7	Confident	81.1	Confident	52 Å²	52	89 Å²	89	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-62.2	-34.4	178.8	-171.9	0	0	0	0	112.2	K638 D639 Q646	K638-S642 WeakPolarHBondContact O-CB 3.48Å; K638-S642 PolarHBondContact O-N 3.12Å; D639-S642 PolarHBondContact O-N 3.02Å; S642-Q646 VanDerWaalsContact O-CG 3.25Å; S642-Q646 WeakPolarHBondContact O-CG 3.5Å; S642-Q646 PolarHBondContact O-N 2.69Å; S642-Q646 VanDerWaalsContact O-N 3.17Å
643	Y	84.6	Confident	81.5	Confident	97 Å²	97	85.2 Å²	85.2	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-65.6	-46.3	172.4	172	-113.9	0	0	0	111.8	T613 D639 H640 K641 D645 Q646 E647	T613-Y643 HydrophobicContact CG2-CE1 4.31Å; D639-Y643 PolarHBondContact O-N 3.25Å; H640-Y643 PolarHBondContact O-N 3.02Å; K641-Y643 VanDerWaalsContact C-N 3.25Å; K641-Y643 PolarHBondContact O-N 3.06Å; Y643-D645 PolarHBondContact O-N 2.86Å; Y643-Q646 PolarHBondContact O-N 3.37Å; Y643-E647 PolarHBondContact O-N 2.92Å
644	V	83.8	Confident	81.6	Confident	40 Å²	40	89.2 Å²	89.2	24%	0.242	45%	0.446	C	S	.	.	H	α-helix	trans	-60.8	-43.3	175.1	170.1	0	0	0	0	112.1	T613 H640 K641 Q646 E647 I648	T613-V644 HydrophobicContact CG2-CG2 3.67Å; H640-V644 WeakPolarHBondContact O-CG2 3.1Å; H640-V644 PolarHBondContact O-N 2.85Å; K641-V644 PolarHBondContact O-N 3.01Å; K641-V644 VanDerWaalsContact O-N 3.15Å; V644-Q646 VanDerWaalsContact C-N 3.32Å; V644-Q646 PolarHBondContact O-N 2.99Å; V644-E647 PolarHBondContact O-N 2.64Å; V644-I648 HydrophobicContact CG1-CD1 3.74Å; V644-I648 HydrophobicContact CG1-CG1 4.46Å; V644-I648 WeakPolarHBondContact O-CB 3.42Å; V644-I648 WeakPolarHBondContact O-CD1 3.44Å; V644-I648 VanDerWaalsContact O-CG1 3.23Å; V644-I648 WeakPolarHBondContact O-CG1 3.38Å; V644-I648 PolarHBondContact O-N 3.11Å
645	D	77.8	Confident	82.2	Confident	72 Å²	72	89 Å²	89	39%	0.385	44%	0.437	S	S	.	.	H	α-helix	trans	-60	-42.2	178.1	-65.1	-30.6	0	0	0	111.3	K641 Y643 E649	K641-D645 IonicContact NZ-OD1 2.66Å; K641-D645 PolarHBondContact NZ-OD1 3.31Å; K641-D645 IonicContact NZ-OD2 2.7Å; K641-D645 PolarHBondContact NZ-OD2 3.1Å; K641-D645 PolarHBondContact O-N 2.64Å; Y643-D645 PolarHBondContact O-N 2.86Å; D645-E649 PolarHBondContact O-N 3.04Å; D645-E649 VanDerWaalsContact O-N 3.13Å
646	Q	83.1	Confident	82.5	Confident	117 Å²	117	87 Å²	87	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-69.9	-42.2	178.9	-73.5	169.9	11.2	0	0	112.9	S642 Y643 V644 I648 E649 A650	S642-Q646 VanDerWaalsContact O-CG 3.25Å; S642-Q646 WeakPolarHBondContact O-CG 3.5Å; S642-Q646 PolarHBondContact O-N 2.69Å; S642-Q646 VanDerWaalsContact O-N 3.17Å; Y643-Q646 PolarHBondContact O-N 3.37Å; V644-Q646 VanDerWaalsContact C-N 3.32Å; V644-Q646 PolarHBondContact O-N 2.99Å; Q646-I648 VanDerWaalsContact C-N 3.29Å; Q646-I648 PolarHBondContact O-N 3.33Å; Q646-E649 PolarHBondContact O-N 3.16Å; Q646-A650 WeakPolarHBondContact O-CB 3.39Å; Q646-A650 PolarHBondContact O-N 3.19Å
647	E	82.3	Confident	82.7	Confident	86 Å²	86	89.5 Å²	89.5	40%	0.402	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-37.1	176.6	-167.4	65.3	-141.4	0	0	111	Y643 V644 A650 L651	Y643-E647 PolarHBondContact O-N 2.92Å; V644-E647 PolarHBondContact O-N 2.64Å; E647-A650 PolarHBondContact O-N 3.03Å; E647-L651 HydrophobicContact CG-CD1 4.14Å; E647-L651 WeakPolarHBondContact O-CB 3.45Å; E647-L651 VanDerWaalsContact O-CG 3.25Å; E647-L651 WeakPolarHBondContact O-CG 3.22Å; E647-L651 PolarHBondContact O-N 3.43Å
648	I	82.9	Confident	82.6	Confident	81 Å²	81	89 Å²	89	42%	0.415	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-44.6	172.9	-72.3	167.9	0	0	0	111.3	V644 Q646 L651 Q652	V644-I648 HydrophobicContact CG1-CD1 3.74Å; V644-I648 HydrophobicContact CG1-CG1 4.46Å; V644-I648 WeakPolarHBondContact O-CB 3.42Å; V644-I648 WeakPolarHBondContact O-CD1 3.44Å; V644-I648 VanDerWaalsContact O-CG1 3.23Å; V644-I648 WeakPolarHBondContact O-CG1 3.38Å; V644-I648 PolarHBondContact O-N 3.11Å; Q646-I648 VanDerWaalsContact C-N 3.29Å; Q646-I648 PolarHBondContact O-N 3.33Å; I648-L651 PolarHBondContact O-N 2.88Å; I648-Q652 WeakPolarHBondContact O-CB 3.27Å; I648-Q652 VanDerWaalsContact O-CG 3.27Å; I648-Q652 WeakPolarHBondContact O-CG 3.23Å; I648-Q652 PolarHBondContact O-N 3.37Å
649	E	82.1	Confident	82.5	Confident	139 Å²	139	90.9 Å²	90.9	65%	0.65	45%	0.446	S	S	*	.	H	α-helix	trans	-64.1	-46.2	178	-172.1	166.7	-145.1	0	0	111.5	D645 Q646 L651 Q652 D653	D645-E649 PolarHBondContact O-N 3.04Å; D645-E649 VanDerWaalsContact O-N 3.13Å; Q646-E649 PolarHBondContact O-N 3.16Å; E649-L651 PolarHBondContact O-N 3.06Å; E649-Q652 PolarHBondContact O-N 2.77Å; E649-D653 PolarHBondContact O-N 3.17Å
650	A	79.7	Confident	82.4	Confident	57 Å²	57	92.8 Å²	92.8	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-60.8	-42.6	176.5	0	0	0	0	0	112.7	Q646 E647 D653 K654	Q646-A650 WeakPolarHBondContact O-CB 3.39Å; Q646-A650 PolarHBondContact O-N 3.19Å; E647-A650 PolarHBondContact O-N 3.03Å; A650-D653 PolarHBondContact O-N 3.19Å; A650-K654 WeakPolarHBondContact O-CB 3.29Å; A650-K654 PolarHBondContact O-N 2.93Å
651	L	83.3	Confident	82.1	Confident	82 Å²	82	95.4 Å²	95.4	43%	0.429	47%	0.47	S	S	.	.	H	α-helix	trans	-69.4	-35.6	176	-72.2	172.2	0	0	0	112.4	E647 I648 E649 K654 I655	E647-L651 HydrophobicContact CG-CD1 4.14Å; E647-L651 WeakPolarHBondContact O-CB 3.45Å; E647-L651 VanDerWaalsContact O-CG 3.25Å; E647-L651 WeakPolarHBondContact O-CG 3.22Å; E647-L651 PolarHBondContact O-N 3.43Å; I648-L651 PolarHBondContact O-N 2.88Å; E649-L651 PolarHBondContact O-N 3.06Å; L651-K654 PolarHBondContact O-N 3.03Å; L651-I655 WeakPolarHBondContact O-CB 3.3Å; L651-I655 VanDerWaalsContact O-CG1 3.23Å; L651-I655 WeakPolarHBondContact O-CG1 3.41Å; L651-I655 PolarHBondContact O-N 2.65Å
652	Q	76.6	Confident	81.9	Confident	129 Å²	129	98.8 Å²	98.8	60%	0.603	48%	0.48	S	S	*	.	H	α-helix	trans	-63.7	-44	174.1	-78.6	-177.2	43.4	0	0	111.8	I648 E649 I655 K656	I648-Q652 WeakPolarHBondContact O-CB 3.27Å; I648-Q652 VanDerWaalsContact O-CG 3.27Å; I648-Q652 WeakPolarHBondContact O-CG 3.23Å; I648-Q652 PolarHBondContact O-N 3.37Å; E649-Q652 PolarHBondContact O-N 2.77Å; Q652-I655 PolarHBondContact O-N 3.04Å; Q652-K656 WeakPolarHBondContact O-CB 3.37Å; Q652-K656 PolarHBondContact O-N 3.37Å
653	D	83.8	Confident	81.5	Confident	76 Å²	76	97.4 Å²	97.4	41%	0.406	48%	0.475	S	S	.	.	H	α-helix	trans	-70	-35.3	176.5	-110.7	7.6	0	0	0	112.2	E649 A650 I655 K656 N657	E649-D653 PolarHBondContact O-N 3.17Å; A650-D653 PolarHBondContact O-N 3.19Å; D653-I655 VanDerWaalsContact C-N 3.35Å; D653-I655 PolarHBondContact O-N 3.44Å; D653-K656 WeakPolarHBondContact O-CB 3.43Å; D653-K656 PolarHBondContact O-N 3.35Å; D653-K656 WeakPolarHBondContact OD1-CD 3.11Å; D653-K656 WeakPolarHBondContact OD1-CE 3.25Å; D653-K656 IonicContact OD1-NZ 3.93Å; D653-K656 PolarHBondContact OD1-NZ 3.23Å; D653-K656 IonicContact OD2-NZ 2.78Å; D653-N657 WeakPolarHBondContact O-CB 3.37Å; D653-N657 PolarHBondContact O-N 2.73Å; D653-N657 PolarHBondContact O-ND2 2.94Å; D653-N657 PolarHBondContact O-OD1 3.5Å
654	K	82.6	Confident	81.2	Confident	136 Å²	136	97.6 Å²	97.6	59%	0.591	48%	0.479	S	S	*	.	H	α-helix	trans	-61.2	-42.1	170.4	-163.4	170.7	-173.7	174.9	0	111.6	A650 L651 L658	A650-K654 WeakPolarHBondContact O-CB 3.29Å; A650-K654 PolarHBondContact O-N 2.93Å; L651-K654 PolarHBondContact O-N 3.03Å; K654-L658 HydrophobicContact CG-CD1 4.41Å; K654-L658 WeakPolarHBondContact O-CB 3.32Å; K654-L658 VanDerWaalsContact O-CG 3.25Å; K654-L658 WeakPolarHBondContact O-CG 3.26Å; K654-L658 PolarHBondContact O-N 3.13Å
655	I	85.6	Confident	80.7	Confident	82 Å²	82	101 Å²	101	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-37.9	174.1	-73.1	166.3	0	0	0	111.6	L651 Q652 D653 R659	L651-I655 WeakPolarHBondContact O-CB 3.3Å; L651-I655 VanDerWaalsContact O-CG1 3.23Å; L651-I655 WeakPolarHBondContact O-CG1 3.41Å; L651-I655 PolarHBondContact O-N 2.65Å; Q652-I655 PolarHBondContact O-N 3.04Å; D653-I655 VanDerWaalsContact C-N 3.35Å; D653-I655 PolarHBondContact O-N 3.44Å; I655-R659 HydrophobicContact CG2-CG 4.42Å; I655-R659 WeakPolarHBondContact O-CB 3.11Å; I655-R659 WeakPolarHBondContact O-CG 3.43Å; I655-R659 PolarHBondContact O-N 2.92Å
656	K	84.8	Confident	80.3	Confident	105 Å²	105	105.8 Å²	105.8	46%	0.457	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-49.3	175.2	-178.1	177	117.4	-152	0	110.9	Q652 D653 L658 R659 E660	Q652-K656 WeakPolarHBondContact O-CB 3.37Å; Q652-K656 PolarHBondContact O-N 3.37Å; D653-K656 WeakPolarHBondContact O-CB 3.43Å; D653-K656 PolarHBondContact O-N 3.35Å; D653-K656 WeakPolarHBondContact OD1-CD 3.11Å; D653-K656 WeakPolarHBondContact OD1-CE 3.25Å; D653-K656 IonicContact OD1-NZ 3.93Å; D653-K656 PolarHBondContact OD1-NZ 3.23Å; D653-K656 IonicContact OD2-NZ 2.78Å; K656-L658 PolarHBondContact O-N 3.06Å; K656-R659 WeakPolarHBondContact O-CA 3.22Å; K656-R659 WeakPolarHBondContact O-CB 3.4Å; K656-R659 PolarHBondContact O-N 2.94Å; K656-R659 VanDerWaalsContact O-N 3.09Å; K656-E660 PolarHBondContact O-N 2.98Å
657	N	81.3	Confident	79.8	Confident	87 Å²	87	109.6 Å²	109.6	47%	0.465	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-43.4	177.2	-64.1	-15.6	0	0	0	111.3	D653 R659 E660 V661	D653-N657 WeakPolarHBondContact O-CB 3.37Å; D653-N657 PolarHBondContact O-N 2.73Å; D653-N657 PolarHBondContact O-ND2 2.94Å; D653-N657 PolarHBondContact O-OD1 3.5Å; N657-R659 VanDerWaalsContact C-N 3.31Å; N657-R659 PolarHBondContact O-N 3Å; N657-E660 PolarHBondContact O-N 2.82Å; N657-V661 WeakPolarHBondContact O-CG2 3.48Å; N657-V661 PolarHBondContact O-N 2.95Å
658	L	82.1	Confident	79	Confident	107 Å²	107	109.1 Å²	109.1	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-32	173.3	-72.6	169.6	0	0	0	112.9	K654 K656 R662	K654-L658 HydrophobicContact CG-CD1 4.41Å; K654-L658 WeakPolarHBondContact O-CB 3.32Å; K654-L658 VanDerWaalsContact O-CG 3.25Å; K654-L658 WeakPolarHBondContact O-CG 3.26Å; K654-L658 PolarHBondContact O-N 3.13Å; K656-L658 PolarHBondContact O-N 3.06Å; L658-R662 WeakPolarHBondContact O-CB 3.48Å; L658-R662 PolarHBondContact O-N 2.67Å
659	R	80.1	Confident	78	Confident	160 Å²	160	112.4 Å²	112.4	60%	0.604	53%	0.532	S	S	*	.	H	α-helix	trans	-69.5	-36.9	172.3	-76.1	167.1	-177.7	-170	4	111.9	I655 K656 N657 G663	I655-R659 HydrophobicContact CG2-CG 4.42Å; I655-R659 WeakPolarHBondContact O-CB 3.11Å; I655-R659 WeakPolarHBondContact O-CG 3.43Å; I655-R659 PolarHBondContact O-N 2.92Å; K656-R659 WeakPolarHBondContact O-CA 3.22Å; K656-R659 WeakPolarHBondContact O-CB 3.4Å; K656-R659 PolarHBondContact O-N 2.94Å; K656-R659 VanDerWaalsContact O-N 3.09Å; N657-R659 VanDerWaalsContact C-N 3.31Å; N657-R659 PolarHBondContact O-N 3Å; R659-G663 PolarHBondContact O-N 2.69Å
660	E	80.3	Confident	77.2	Confident	130 Å²	130	110.1 Å²	110.1	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-69.3	-44.5	173.4	-69.4	-159	156.8	0	0	112.1	K656 N657 G663 H664	K656-E660 PolarHBondContact O-N 2.98Å; N657-E660 PolarHBondContact O-N 2.82Å; E660-G663 CarbonylContact O-C 3.41Å; E660-G663 WeakPolarHBondContact O-CA 3.35Å; E660-G663 PolarHBondContact O-N 3.16Å; E660-G663 VanDerWaalsContact O-N 3.08Å; E660-H664 PolarHBondContact O-N 3.3Å
661	V	78.9	Confident	76.2	Confident	79 Å²	79	115 Å²	115	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-60.2	-47.9	173.8	171.4	0	0	0	0	110.7	N657 G663 H664 L665	N657-V661 WeakPolarHBondContact O-CG2 3.48Å; N657-V661 PolarHBondContact O-N 2.95Å; V661-G663 PolarHBondContact O-N 3.5Å; V661-H664 WeakPolarHBondContact O-CB 3.37Å; V661-H664 PolarHBondContact O-N 3.35Å; V661-L665 HydrophobicContact CG1-CD1 3.92Å; V661-L665 HydrophobicContact CG1-CG 4.38Å; V661-L665 WeakPolarHBondContact O-CG 3.39Å; V661-L665 PolarHBondContact O-N 2.86Å
662	R	81.1	Confident	74.7	Confident	160 Å²	160	118.9 Å²	118.9	60%	0.604	57%	0.568	S	S	*	*	H	α-helix	trans	-60.6	-35.2	173	-173.3	-177.9	69.4	170.4	2.4	112.2	L658 K666	L658-R662 WeakPolarHBondContact O-CB 3.48Å; L658-R662 PolarHBondContact O-N 2.67Å; R662-K666 WeakPolarHBondContact O-CB 3.44Å; R662-K666 WeakPolarHBondContact O-CG 3.48Å; R662-K666 PolarHBondContact O-N 3.18Å; R662-K666 VanDerWaalsContact O-N 3.07Å
663	G	75.5	Confident	73.3	Confident	24 Å²	24	115.3 Å²	115.3	25%	0.247	56%	0.557	C	S	.	*	H	α-helix	trans	-71.4	-29.9	174.3	0	0	0	0	0	113.3	R659 E660 V661 R667	R659-G663 PolarHBondContact O-N 2.69Å; E660-G663 CarbonylContact O-C 3.41Å; E660-G663 WeakPolarHBondContact O-CA 3.35Å; E660-G663 PolarHBondContact O-N 3.16Å; E660-G663 VanDerWaalsContact O-N 3.08Å; V661-G663 PolarHBondContact O-N 3.5Å; G663-R667 WeakPolarHBondContact O-CG 3.27Å; G663-R667 PolarHBondContact O-NE 3.18Å; G663-R667 PolarHBondContact O-NH2 3Å
664	H	77.5	Confident	71.8	Confident	100 Å²	100	116.7 Å²	116.7	46%	0.463	56%	0.564	S	S	.	*	H	α-helix	trans	-71.6	-54.8	171.3	177.3	89.8	0	0	0	109.9	E660 V661 K666 R667 T668	E660-H664 PolarHBondContact O-N 3.3Å; V661-H664 WeakPolarHBondContact O-CB 3.37Å; V661-H664 PolarHBondContact O-N 3.35Å; H664-K666 PolarHBondContact O-N 3.08Å; H664-K666 VanDerWaalsContact O-N 3.13Å; H664-R667 CarbonylContact O-C 3.58Å; H664-R667 WeakPolarHBondContact O-CA 3.17Å; H664-R667 WeakPolarHBondContact O-CB 3.42Å; H664-R667 PolarHBondContact O-N 2.89Å; H664-T668 PolarHBondContact CD2-OG1 3.42Å; H664-T668 PolarHBondContact NE2-OG1 2.78Å; H664-T668 VanDerWaalsContact NE2-OG1 3.08Å; H664-T668 PolarHBondContact O-N 3.3Å; H664-T668 PolarHBondContact O-OG1 2.67Å
665	L	72.6	Confident	70.1	Confident	111 Å²	111	114.9 Å²	114.9	58%	0.581	57%	0.568	S	S	*	*	H	α-helix	trans	-56.9	-29.5	177.9	-66.4	169.6	0	0	0	113.6	V661 R667 R669	V661-L665 HydrophobicContact CG1-CD1 3.92Å; V661-L665 HydrophobicContact CG1-CG 4.38Å; V661-L665 WeakPolarHBondContact O-CG 3.39Å; V661-L665 PolarHBondContact O-N 2.86Å; L665-R667 VanDerWaalsContact C-N 3.33Å; L665-R669 PolarHBondContact O-N 2.89Å
666	K	71.1	Confident	68.1	Low	174 Å²	174	114.2 Å²	114.2	76%	0.757	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-15.5	171	-82.1	-165.1	171.6	-159.9	0	115.1	R662 H664	R662-K666 WeakPolarHBondContact O-CB 3.44Å; R662-K666 WeakPolarHBondContact O-CG 3.48Å; R662-K666 PolarHBondContact O-N 3.18Å; R662-K666 VanDerWaalsContact O-N 3.07Å; H664-K666 PolarHBondContact O-N 3.08Å; H664-K666 VanDerWaalsContact O-N 3.13Å
667	R	72.4	Confident	66.2	Low	197 Å²	197	116.8 Å²	116.8	74%	0.743	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-25.4	176.7	-75	177.3	-73.6	171	-1.1	112.8	G663 H664 L665	G663-R667 WeakPolarHBondContact O-CG 3.27Å; G663-R667 PolarHBondContact O-NE 3.18Å; G663-R667 PolarHBondContact O-NH2 3Å; H664-R667 CarbonylContact O-C 3.58Å; H664-R667 WeakPolarHBondContact O-CA 3.17Å; H664-R667 WeakPolarHBondContact O-CB 3.42Å; H664-R667 PolarHBondContact O-N 2.89Å; L665-R667 VanDerWaalsContact C-N 3.33Å
668	T	63.9	Low	63.8	Low	75 Å²	75	117.4 Å²	117.4	46%	0.46	60%	0.603	S	S	.	*	S	Bend	trans	-109.8	29.6	176.5	50.4	0	0	0	0	112.2	H664 P670	H664-T668 PolarHBondContact CD2-OG1 3.42Å; H664-T668 PolarHBondContact NE2-OG1 2.78Å; H664-T668 VanDerWaalsContact NE2-OG1 3.08Å; H664-T668 PolarHBondContact O-N 3.3Å; H664-T668 PolarHBondContact O-OG1 2.67Å; T668-P670 VanDerWaalsContact O-CD 3.31Å; T668-P670 WeakPolarHBondContact O-CD 3.49Å
669	R	61.9	Low	61.3	Low	151 Å²	151	121.4 Å²	121.4	57%	0.57	61%	0.612	S	S	*	*			trans	-62.7	122.4	172.8	178.3	-178.1	-178.1	-172.3	2.4	109	L665 C673	L665-R669 PolarHBondContact O-N 2.89Å; R669-C673 PolarHBondContact NH2-O 2.88Å
670	P	66.6	Low	58.8	Low	90 Å²	90	124.1 Å²	124.1	58%	0.584	63%	0.629	S	S	*	*			trans	-69.3	140.5	168.4	-15.2	30.9	0	0	0	110.3	T668 D672 C673	T668-P670 VanDerWaalsContact O-CD 3.31Å; T668-P670 WeakPolarHBondContact O-CD 3.49Å; P670-D672 VanDerWaalsContact C-N 3.28Å; P670-D672 PolarHBondContact O-N 2.75Å; P670-C673 PolarHBondContact O-N 3.21Å
671	D	57.3	Low	56.4	Low	160 Å²	160	124.6 Å²	124.6	86%	0.856	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-172.9	-65.9	-62.8	0	0	0	113.3	C673	D671-C673 PolarHBondContact O-N 2.81Å
672	D	52.2	Low	54.1	Low	164 Å²	164	130.9 Å²	130.9	88%	0.877	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-3	-176.7	-67.3	-50.4	0	0	0	115.8	P670 D674	P670-D672 VanDerWaalsContact C-N 3.28Å; P670-D672 PolarHBondContact O-N 2.75Å; D672-D674 PolarHBondContact O-N 3.23Å
673	C	47.1	Very low	51.5	Low	54 Å²	54	126.8 Å²	126.8	37%	0.365	66%	0.663	S	S	.	*			trans	-81	82	175.6	-161.7	0	0	0	0	111.1	R669 P670 D671 C675	R669-C673 PolarHBondContact NH2-O 2.88Å; P670-C673 PolarHBondContact O-N 3.21Å; D671-C673 PolarHBondContact O-N 2.81Å; C673-C675 HydrophobicContact CB-CB 4.45Å; C673-C675 WeakPolarHBondContact CB-SG 3.43Å; C673-C675 PolarHBondContact O-N 3.27Å; C673-C675 PolarHBondContact O-SG 3.26Å; C673-C675 WeakPolarHBondContact SG-CB 3.46Å; C673-C675 CovalentContact SG-SG 2.06Å; C673-C675 PolarHBondContact SG-SG 2.85Å
674	D	52.6	Low	49.2	Very low	105 Å²	105	133.5 Å²	133.5	56%	0.561	69%	0.693	S	S	*	*			trans	-77.8	45.6	164.7	-161.1	24.3	0	0	0	111.5	D672 G676 K677	D672-D674 PolarHBondContact O-N 3.23Å; D674-G676 PolarHBondContact O-N 3.22Å; D674-K677 IonicContact OD1-NZ 2.77Å; D674-K677 IonicContact OD2-NZ 3.14Å; D674-K677 PolarHBondContact OD2-NZ 3.48Å
675	C	48.2	Very low	46.9	Very low	98 Å²	98	139.2 Å²	139.2	66%	0.662	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	57.9	-178.4	38.9	0	0	0	0	111.7	C673	C673-C675 HydrophobicContact CB-CB 4.45Å; C673-C675 WeakPolarHBondContact CB-SG 3.43Å; C673-C675 PolarHBondContact O-N 3.27Å; C673-C675 PolarHBondContact O-SG 3.26Å; C673-C675 WeakPolarHBondContact SG-CB 3.46Å; C673-C675 CovalentContact SG-SG 2.06Å; C673-C675 PolarHBondContact SG-SG 2.85Å
676	G	42.3	Very low	44.7	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.1	11.1	-173.9	0	0	0	0	0	116.7	D674	D674-G676 PolarHBondContact O-N 3.22Å
677	K	44.6	Very low	42.8	Very low	160 Å²	160	143 Å²	143	70%	0.696	73%	0.729	S	S	*	*			trans	-138.8	88.7	-179.9	-69.4	-176.1	-163.5	118.9	0	114.6	D674	D674-K677 IonicContact OD1-NZ 2.77Å; D674-K677 IonicContact OD2-NZ 3.14Å; D674-K677 PolarHBondContact OD2-NZ 3.48Å
678	S	30.9	Very low	40.6	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	73%	0.734	S	S	*	*			trans	-171.6	151.3	152.3	3.8	0	0	0	0	109
679	Y	29.9	Very low	39.1	Very low	191 Å²	191	141.6 Å²	141.6	75%	0.749	75%	0.748	S	S	*	*			cis	-140.7	141	-15.5	-92.2	-66.2	0	0	0	108.1
680	F	28.1	Very low	37.4	Very low	218 Å²	218	144.6 Å²	144.6	96%	0.956	76%	0.759	S	S	*	*			trans	-149.2	129.9	139.5	-117.2	-75.4	0	0	0	109.2
681	N	29.6	Very low	35.7	Very low	139 Å²	139	148 Å²	148	74%	0.743	77%	0.771	S	S	*	*			trans	-80.8	132.5	-164.4	-77.6	-41.9	0	0	0	113.6
682	K	30.7	Very low	34.4	Very low	212 Å²	212	150.1 Å²	150.1	92%	0.922	77%	0.773	S	S	*	*			trans	-149.3	124.9	138.1	-109.5	170.3	-176.1	177.3	0	107.9
683	G	26.7	Very low	33.3	Very low	73 Å²	73	146.1 Å²	146.1	75%	0.753	77%	0.771	S	S	*	*			trans	-108.2	-172.6	-165.1	0	0	0	0	0	115.2
684	L	27.5	Very low	32.4	Very low	165 Å²	165	155.4 Å²	155.4	86%	0.864	80%	0.798	S	S	*	*			trans	79.4	123.6	164.1	-68.6	164.2	0	0	0	119.6
685	R	28.1	Very low	31.5	Very low	220 Å²	220	157.2 Å²	157.2	83%	0.83	81%	0.807	S	S	*	*			trans	86.7	92.9	151.3	-67.4	178.7	174.1	-165.4	-3	120.3
686	N	27.3	Very low	30.6	Very low	151 Å²	151	160.4 Å²	160.4	81%	0.807	82%	0.818	S	S	*	*				51.1	124.6	118.2	-66.6	3	0	0	0	121.9
687	K	30.4	Very low	30.6	Very low	214 Å²	214	165.4 Å²	165.4	93%	0.93	82%	0.823	S	S	*	*			trans	24.9	116.7	135.2	-65.6	-175	176.2	-176.7	0	118.2
688	G	26.3	Very low	30.1	Very low	81 Å²	81	166 Å²	166	84%	0.835	83%	0.833	S	S	*	*			trans	-163.6	132.5	158.5	0	0	0	0	0	111.6
689	E	31.7	Very low	30.1	Very low	162 Å²	162	169.5 Å²	169.5	76%	0.757	84%	0.838	S	S	*	*			trans	-78.1	145.2	172	-49.3	172.4	134.3	0	0	110.9
690	R	26.2	Very low	30.3	Very low	214 Å²	214	165 Å²	165	81%	0.808	83%	0.833	S	S	*	*				155	133.3	120.6	-84.7	155.1	-171	-153	-1.3	114.6
691	L	33	Very low	30.6	Very low	161 Å²	161	163 Å²	163	84%	0.843	82%	0.824	S	S	*	*			trans	23	144.4	136.1	-73.8	163.5	0	0	0	122.5
692	K	29.3	Very low	30.9	Very low	205 Å²	205	164.8 Å²	164.8	89%	0.891	83%	0.825	S	S	*	*			trans	71.9	108.6	165	-67.5	-178.9	176.5	179.3	0	115.9
693	G	29.4	Very low	31.2	Very low	80 Å²	80	162.5 Å²	162.5	83%	0.825	82%	0.818	S	S	*	*			trans	-94	-172.2	176.5	0	0	0	0	0	114.7
694	R	26.9	Very low	31.7	Very low	248 Å²	248	162.5 Å²	162.5	94%	0.936	80%	0.803	S	S	*	*			trans	-148.7	170.6	160.7	-118.5	177.9	178.1	-177.4	-1.3	108.9
695	N	34.7	Very low	32.2	Very low	143 Å²	143	159.1 Å²	159.1	77%	0.765	79%	0.79	S	S	*	*			trans	-59.5	149.3	178.2	-58.1	-16	0	0	0	111.7
696	D	28.5	Very low	32.7	Very low	166 Å²	166	155.5 Å²	155.5	89%	0.888	78%	0.782	S	S	*	*			trans	-133	143	137.8	-116.5	-34.8	0	0	0	109.1
697	Q	43	Very low	33.7	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.804	77%	0.765	S	S	*	*			trans	-94.5	130.7	-174.9	-70.1	178.3	-25.1	0	0	110.7
698	L	34.8	Very low	34.6	Very low	172 Å²	172	147.4 Å²	147.4	90%	0.901	75%	0.747	S	S	*	*			trans	-109.5	141.9	168	-75.8	169.6	0	0	0	110.6
699	H	30.1	Very low	35.6	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.796	73%	0.732	S	S	*	*			trans	-74.5	140.7	-163.2	-75	-91.4	0	0	0	114	F701	H699-F701 PolarHBondContact O-N 3.14Å
700	P	34.9	Very low	36.9	Very low	98 Å²	98	142.6 Å²	142.6	64%	0.636	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	18.4	-167.4	-20.5	34.9	0	0	0	118.3
701	F	32.7	Very low	38.2	Very low	176 Å²	176	138.2 Å²	138.2	77%	0.772	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	17.1	-165.9	-95.5	-80.1	0	0	0	116	H699	H699-F701 PolarHBondContact O-N 3.14Å
702	K	37.3	Very low	39.2	Very low	175 Å²	175	133.9 Å²	133.9	76%	0.761	68%	0.679	S	S	*	*	S	Bend	trans	-119.8	-27.8	170.2	-79.7	-172.1	173.9	-178.9	0	115.3
703	E	35.4	Very low	40.7	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	66%	0.663	S	S	*	*	H	α-helix	trans	-72.2	-40.7	177.1	-65.9	-176	128.1	0	0	111.8	T705 H706 D707	E703-T705 VanDerWaalsContact C-N 3.32Å; E703-T705 PolarHBondContact O-N 2.88Å; E703-H706 PolarHBondContact O-N 2.86Å; E703-D707 WeakPolarHBondContact O-CB 3.49Å; E703-D707 PolarHBondContact O-N 3.1Å
704	T	37.4	Very low	42.4	Very low	73 Å²	73	131 Å²	131	45%	0.448	65%	0.65	S	S	.	*	H	α-helix	trans	-57.6	-40.2	-176.6	47.1	0	0	0	0	113.2	I708	T704-I708 VanDerWaalsContact O-CB 3.28Å; T704-I708 WeakPolarHBondContact O-CB 3.33Å; T704-I708 WeakPolarHBondContact O-CD1 3.31Å; T704-I708 WeakPolarHBondContact O-CG1 3.47Å; T704-I708 PolarHBondContact O-N 3.19Å
705	T	39.6	Very low	44.2	Very low	94 Å²	94	126.6 Å²	126.6	58%	0.577	64%	0.635	S	S	*	*	H	α-helix	trans	-67.3	-48.5	176	4	0	0	0	0	112.2	E703 D707 I708 E709	E703-T705 VanDerWaalsContact C-N 3.32Å; E703-T705 PolarHBondContact O-N 2.88Å; T705-D707 VanDerWaalsContact C-N 3.31Å; T705-D707 PolarHBondContact O-N 2.78Å; T705-I708 PolarHBondContact O-N 3.26Å; T705-E709 WeakPolarHBondContact O-CB 3.2Å; T705-E709 PolarHBondContact O-N 3.16Å
706	H	38.6	Very low	45.5	Very low	144 Å²	144	124 Å²	124	67%	0.667	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-36.5	-179.7	-113.7	-58.2	0	0	0	112.5	E703 G710	E703-H706 PolarHBondContact O-N 2.86Å; H706-G710 PolarHBondContact O-N 2.93Å
707	D	47.8	Very low	47.6	Very low	84 Å²	84	118.4 Å²	118.4	45%	0.449	59%	0.589	S	S	.	*	H	α-helix	trans	-78.1	-35	-178.4	-166.8	43.3	0	0	0	111.8	E703 T705 K711	E703-D707 WeakPolarHBondContact O-CB 3.49Å; E703-D707 PolarHBondContact O-N 3.1Å; T705-D707 VanDerWaalsContact C-N 3.31Å; T705-D707 PolarHBondContact O-N 2.78Å; D707-K711 VanDerWaalsContact O-CB 3.25Å; D707-K711 WeakPolarHBondContact O-CB 3.24Å; D707-K711 WeakPolarHBondContact O-CD 3.49Å; D707-K711 WeakPolarHBondContact O-CG 3.34Å; D707-K711 PolarHBondContact O-N 3.4Å; D707-K711 IonicContact OD1-NZ 2.63Å; D707-K711 WeakPolarHBondContact OD2-CE 3.39Å; D707-K711 IonicContact OD2-NZ 3.13Å; D707-K711 PolarHBondContact OD2-NZ 2.95Å
708	I	48.3	Very low	49.1	Very low	111 Å²	111	113.6 Å²	113.6	57%	0.569	57%	0.568	S	S	*	*	H	α-helix	trans	-63.8	-44.2	167.5	-73.3	167.1	0	0	0	110.8	T704 T705 K711 T712	T704-I708 VanDerWaalsContact O-CB 3.28Å; T704-I708 WeakPolarHBondContact O-CB 3.33Å; T704-I708 WeakPolarHBondContact O-CD1 3.31Å; T704-I708 WeakPolarHBondContact O-CG1 3.47Å; T704-I708 PolarHBondContact O-N 3.19Å; T705-I708 PolarHBondContact O-N 3.26Å; I708-K711 PolarHBondContact O-N 3.21Å; I708-T712 WeakPolarHBondContact O-CB 3.38Å; I708-T712 PolarHBondContact O-N 2.91Å; I708-T712 PolarHBondContact O-OG1 3.07Å
709	E	47.2	Very low	50.6	Low	109 Å²	109	111.7 Å²	111.7	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-67.5	-43.5	179.7	-166.4	173.5	-141.3	0	0	111.3	T705 T712 Q713	T705-E709 WeakPolarHBondContact O-CB 3.2Å; T705-E709 PolarHBondContact O-N 3.16Å; E709-T712 WeakPolarHBondContact O-CB 3.16Å; E709-T712 PolarHBondContact O-N 3.42Å; E709-T712 VanDerWaalsContact O-N 3.17Å; E709-Q713 WeakPolarHBondContact O-CB 3.17Å; E709-Q713 WeakPolarHBondContact O-CG 3.28Å; E709-Q713 PolarHBondContact O-N 3.06Å
710	G	58.9	Low	52.6	Low	33 Å²	33	109.3 Å²	109.3	34%	0.34	53%	0.533	S	S	.	.	H	α-helix	trans	-59.9	-44.6	172.8	0	0	0	0	0	112.9	H706 T712 Q713 L714	H706-G710 PolarHBondContact O-N 2.93Å; G710-T712 VanDerWaalsContact C-N 3.32Å; G710-T712 PolarHBondContact O-N 2.74Å; G710-Q713 PolarHBondContact O-N 3.49Å; G710-L714 VanDerWaalsContact O-CB 3.31Å; G710-L714 WeakPolarHBondContact O-CB 3.48Å; G710-L714 PolarHBondContact O-N 3.47Å
711	K	55.4	Low	54.4	Low	121 Å²	121	111.1 Å²	111.1	53%	0.526	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-36.6	173.5	-75.3	164.3	-177.1	165.6	0	112.1	D707 I708 Y715	D707-K711 VanDerWaalsContact O-CB 3.25Å; D707-K711 WeakPolarHBondContact O-CB 3.24Å; D707-K711 WeakPolarHBondContact O-CD 3.49Å; D707-K711 WeakPolarHBondContact O-CG 3.34Å; D707-K711 PolarHBondContact O-N 3.4Å; D707-K711 IonicContact OD1-NZ 2.63Å; D707-K711 WeakPolarHBondContact OD2-CE 3.39Å; D707-K711 IonicContact OD2-NZ 3.13Å; D707-K711 PolarHBondContact OD2-NZ 2.95Å; I708-K711 PolarHBondContact O-N 3.21Å; K711-Y715 WeakPolarHBondContact O-CB 3.38Å; K711-Y715 PolarHBondContact O-N 2.77Å
712	T	53.7	Low	56	Low	70 Å²	70	109 Å²	109	43%	0.429	52%	0.518	S	S	.	.	H	α-helix	trans	-69.8	-43.5	176.5	-58.9	0	0	0	0	111.9	I708 E709 G710 Y715 N716	I708-T712 WeakPolarHBondContact O-CB 3.38Å; I708-T712 PolarHBondContact O-N 2.91Å; I708-T712 PolarHBondContact O-OG1 3.07Å; E709-T712 WeakPolarHBondContact O-CB 3.16Å; E709-T712 PolarHBondContact O-N 3.42Å; E709-T712 VanDerWaalsContact O-N 3.17Å; G710-T712 VanDerWaalsContact C-N 3.32Å; G710-T712 PolarHBondContact O-N 2.74Å; T712-Y715 PolarHBondContact O-N 2.69Å; T712-N716 WeakPolarHBondContact O-CB 3.33Å; T712-N716 PolarHBondContact O-N 3.19Å; T712-N716 PolarHBondContact O-ND2 3.13Å
713	Q	60.6	Low	57.4	Low	120 Å²	120	107.3 Å²	107.3	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-61.4	-44.2	173.1	-70.7	177.1	22.4	0	0	111.1	E709 G710 N716 E717	E709-Q713 WeakPolarHBondContact O-CB 3.17Å; E709-Q713 WeakPolarHBondContact O-CG 3.28Å; E709-Q713 PolarHBondContact O-N 3.06Å; G710-Q713 PolarHBondContact O-N 3.49Å; Q713-N716 PolarHBondContact O-N 3.24Å; Q713-E717 WeakPolarHBondContact O-CB 3.41Å; Q713-E717 PolarHBondContact O-N 3.48Å
714	L	65.3	Low	59.1	Low	106 Å²	106	103 Å²	103	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-42.1	175.1	-178.2	62.7	0	0	0	112	G710 E717 I718	G710-L714 VanDerWaalsContact O-CB 3.31Å; G710-L714 WeakPolarHBondContact O-CB 3.48Å; G710-L714 PolarHBondContact O-N 3.47Å; L714-E717 PolarHBondContact O-N 2.89Å; L714-I718 HydrophobicContact CD1-CD1 4.19Å; L714-I718 HydrophobicContact CD1-CG1 4.45Å; L714-I718 HydrophobicContact CG-CD1 3.96Å; L714-I718 WeakPolarHBondContact O-CB 3.41Å; L714-I718 VanDerWaalsContact O-CG1 3.23Å; L714-I718 WeakPolarHBondContact O-CG1 3.24Å; L714-I718 PolarHBondContact O-N 3.28Å
715	Y	63.8	Low	60.8	Low	154 Å²	154	108.7 Å²	108.7	60%	0.604	50%	0.504	S	S	*	.	H	α-helix	trans	-64.5	-41.1	176.5	-163.2	-82.4	0	0	0	111.6	K711 T712 I718 R719	K711-Y715 WeakPolarHBondContact O-CB 3.38Å; K711-Y715 PolarHBondContact O-N 2.77Å; T712-Y715 PolarHBondContact O-N 2.69Å; Y715-I718 PolarHBondContact O-N 2.71Å; Y715-R719 WeakPolarHBondContact O-CB 3.34Å; Y715-R719 PolarHBondContact O-N 3.22Å
716	N	62.4	Low	61.8	Low	90 Å²	90	111.3 Å²	111.3	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-39.7	174.9	-75.3	-27.8	0	0	0	112.3	T712 Q713 R719 R720	T712-N716 WeakPolarHBondContact O-CB 3.33Å; T712-N716 PolarHBondContact O-N 3.19Å; T712-N716 PolarHBondContact O-ND2 3.13Å; Q713-N716 PolarHBondContact O-N 3.24Å; N716-R719 WeakPolarHBondContact O-CB 3.33Å; N716-R719 PolarHBondContact O-N 2.73Å; N716-R720 WeakPolarHBondContact O-CB 3.46Å; N716-R720 PolarHBondContact O-N 3.09Å
717	E	72.6	Confident	63	Low	47 Å²	47	107.3 Å²	107.3	22%	0.22	49%	0.489	C	S	.	.	H	α-helix	trans	-66.8	-39	173.9	177	64.3	176.7	0	0	111.7	Q713 L714 R720 R721	Q713-E717 WeakPolarHBondContact O-CB 3.41Å; Q713-E717 PolarHBondContact O-N 3.48Å; L714-E717 PolarHBondContact O-N 2.89Å; E717-R720 VanDerWaalsContact CD-NH2 3.26Å; E717-R720 PolarHBondContact O-N 3.48Å; E717-R720 IonicContact OE1-CZ 3.68Å; E717-R720 IonicContact OE1-NH2 3.72Å; E717-R720 PolarHBondContact OE1-NH2 2.77Å; E717-R720 IonicContact OE2-CZ 3.47Å; E717-R720 IonicContact OE2-NE 2.72Å; E717-R720 PolarHBondContact OE2-NE 3.13Å; E717-R720 IonicContact OE2-NH2 2.75Å; E717-R720 PolarHBondContact OE2-NH2 2.94Å; E717-R721 WeakPolarHBondContact O-CB 3.46Å; E717-R721 VanDerWaalsContact O-CG 3.3Å; E717-R721 WeakPolarHBondContact O-CG 3.2Å; E717-R721 PolarHBondContact O-N 2.79Å; E717-R721 IonicContact OE1-CZ 2.88Å; E717-R721 IonicContact OE1-NE 3.71Å; E717-R721 PolarHBondContact OE1-NE 3.08Å; E717-R721 IonicContact OE1-NH2 3.38Å; E717-R721 PolarHBondContact OE1-NH2 3.42Å
718	I	73.4	Confident	63.8	Low	71 Å²	71	109.5 Å²	109.5	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-41	171.5	-72.1	166.2	0	0	0	110.5	L714 Y715 K722	L714-I718 HydrophobicContact CD1-CD1 4.19Å; L714-I718 HydrophobicContact CD1-CG1 4.45Å; L714-I718 HydrophobicContact CG-CD1 3.96Å; L714-I718 WeakPolarHBondContact O-CB 3.41Å; L714-I718 VanDerWaalsContact O-CG1 3.23Å; L714-I718 WeakPolarHBondContact O-CG1 3.24Å; L714-I718 PolarHBondContact O-N 3.28Å; Y715-I718 PolarHBondContact O-N 2.71Å; I718-K722 HydrophobicContact CG2-CD 4Å; I718-K722 HydrophobicContact CG2-CG 4.48Å; I718-K722 VanDerWaalsContact O-CB 3.27Å; I718-K722 WeakPolarHBondContact O-CB 3.39Å; I718-K722 WeakPolarHBondContact O-CG 3.25Å; I718-K722 PolarHBondContact O-N 3.03Å
719	R	67.4	Low	64.4	Low	132 Å²	132	111 Å²	111	50%	0.498	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-42.2	175.6	-170.8	175	-179.2	164.9	3.4	111.2	E111 Y715 N716 K722 K723	E111-R719 IonicContact OE1-CZ 2.73Å; E111-R719 IonicContact OE1-NH1 3.46Å; E111-R719 PolarHBondContact OE1-NH1 3.24Å; E111-R719 IonicContact OE1-NH2 2.73Å; E111-R719 PolarHBondContact OE1-NH2 3.17Å; Y715-R719 WeakPolarHBondContact O-CB 3.34Å; Y715-R719 PolarHBondContact O-N 3.22Å; N716-R719 WeakPolarHBondContact O-CB 3.33Å; N716-R719 PolarHBondContact O-N 2.73Å; R719-K722 PolarHBondContact O-N 2.98Å; R719-K723 PolarHBondContact O-N 2.72Å
720	R	71.1	Confident	64.9	Low	123 Å²	123	110.4 Å²	110.4	46%	0.464	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-53.2	174.2	-173	179.7	70.6	107.1	-11.6	111.5	N716 E717 K722 K723 E724	N716-R720 WeakPolarHBondContact O-CB 3.46Å; N716-R720 PolarHBondContact O-N 3.09Å; E717-R720 VanDerWaalsContact CD-NH2 3.26Å; E717-R720 PolarHBondContact O-N 3.48Å; E717-R720 IonicContact OE1-CZ 3.68Å; E717-R720 IonicContact OE1-NH2 3.72Å; E717-R720 PolarHBondContact OE1-NH2 2.77Å; E717-R720 IonicContact OE2-CZ 3.47Å; E717-R720 IonicContact OE2-NE 2.72Å; E717-R720 PolarHBondContact OE2-NE 3.13Å; E717-R720 IonicContact OE2-NH2 2.75Å; E717-R720 PolarHBondContact OE2-NH2 2.94Å; R720-K722 VanDerWaalsContact C-N 3.28Å; R720-K722 PolarHBondContact O-N 2.88Å; R720-K723 CarbonylContact O-C 3.59Å; R720-K723 WeakPolarHBondContact O-CA 3.4Å; R720-K723 WeakPolarHBondContact O-CB 3.42Å; R720-K723 PolarHBondContact O-N 3.14Å; R720-E724 HydrophobicContact CG-CG 4.45Å; R720-E724 VanDerWaalsContact CG-OE1 3.32Å; R720-E724 WeakPolarHBondContact CG-OE1 3.41Å; R720-E724 IonicContact CZ-OE1 2.59Å; R720-E724 IonicContact NE-OE1 3.35Å; R720-E724 IonicContact NH1-OE1 2.88Å; R720-E724 PolarHBondContact NH1-OE1 3.18Å; R720-E724 IonicContact NH1-OE2 3.06Å; R720-E724 WeakPolarHBondContact O-CG 3.22Å; R720-E724 PolarHBondContact O-N 3.32Å
721	R	72.6	Confident	64.9	Low	135 Å²	135	115.8 Å²	115.8	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-35.2	176.3	-70.4	178.6	-172.2	-165.5	5	112.4	E717 R725	E717-R721 WeakPolarHBondContact O-CB 3.46Å; E717-R721 VanDerWaalsContact O-CG 3.3Å; E717-R721 WeakPolarHBondContact O-CG 3.2Å; E717-R721 PolarHBondContact O-N 2.79Å; E717-R721 IonicContact OE1-CZ 2.88Å; E717-R721 IonicContact OE1-NE 3.71Å; E717-R721 PolarHBondContact OE1-NE 3.08Å; E717-R721 IonicContact OE1-NH2 3.38Å; E717-R721 PolarHBondContact OE1-NH2 3.42Å; R721-R725 VanDerWaalsContact O-CB 3.27Å; R721-R725 WeakPolarHBondContact O-CB 3.49Å; R721-R725 WeakPolarHBondContact O-CG 3.34Å; R721-R725 PolarHBondContact O-N 2.78Å
722	K	66.6	Low	64.9	Low	132 Å²	132	120.7 Å²	120.7	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-65.8	-40.2	171.4	-78.8	172	179.5	175.7	0	111.9	I718 R719 R720 K726	I718-K722 HydrophobicContact CG2-CD 4Å; I718-K722 HydrophobicContact CG2-CG 4.48Å; I718-K722 VanDerWaalsContact O-CB 3.27Å; I718-K722 WeakPolarHBondContact O-CB 3.39Å; I718-K722 WeakPolarHBondContact O-CG 3.25Å; I718-K722 PolarHBondContact O-N 3.03Å; R719-K722 PolarHBondContact O-N 2.98Å; R720-K722 VanDerWaalsContact C-N 3.28Å; R720-K722 PolarHBondContact O-N 2.88Å; K722-K726 WeakPolarHBondContact O-CG 3.2Å; K722-K726 PolarHBondContact O-N 3.19Å; K722-K726 VanDerWaalsContact O-N 3.16Å
723	K	68.3	Low	64.9	Low	140 Å²	140	124 Å²	124	61%	0.609	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-53.1	173.6	-170.2	-174.3	176	-170.6	0	110.9	R719 R720 R725 K726 E727	R719-K723 PolarHBondContact O-N 2.72Å; R720-K723 CarbonylContact O-C 3.59Å; R720-K723 WeakPolarHBondContact O-CA 3.4Å; R720-K723 WeakPolarHBondContact O-CB 3.42Å; R720-K723 PolarHBondContact O-N 3.14Å; K723-R725 VanDerWaalsContact C-N 3.3Å; K723-R725 PolarHBondContact O-N 3.25Å; K723-K726 CarbonylContact O-C 3.58Å; K723-K726 WeakPolarHBondContact O-CA 3.1Å; K723-K726 WeakPolarHBondContact O-CB 3.17Å; K723-K726 PolarHBondContact O-N 3.34Å; K723-E727 WeakPolarHBondContact CE-OE2 3.11Å; K723-E727 PolarHBondContact O-N 2.88Å
724	E	70.6	Confident	64.3	Low	73 Å²	73	121.2 Å²	121.2	34%	0.341	53%	0.533	S	S	.	.	H	α-helix	trans	-58.6	-37.4	179.1	-70.2	172	-171.4	0	0	113.1	R720 E727 K728	R720-E724 HydrophobicContact CG-CG 4.45Å; R720-E724 VanDerWaalsContact CG-OE1 3.32Å; R720-E724 WeakPolarHBondContact CG-OE1 3.41Å; R720-E724 IonicContact CZ-OE1 2.59Å; R720-E724 IonicContact NE-OE1 3.35Å; R720-E724 IonicContact NH1-OE1 2.88Å; R720-E724 PolarHBondContact NH1-OE1 3.18Å; R720-E724 IonicContact NH1-OE2 3.06Å; R720-E724 WeakPolarHBondContact O-CG 3.22Å; R720-E724 PolarHBondContact O-N 3.32Å; E724-E727 PolarHBondContact O-N 2.76Å; E724-K728 WeakPolarHBondContact O-CB 3.37Å; E724-K728 WeakPolarHBondContact O-CG 3.39Å; E724-K728 PolarHBondContact O-N 2.93Å
725	R	71.9	Confident	63.8	Low	194 Å²	194	118.3 Å²	118.3	73%	0.732	52%	0.518	S	S	*	.	H	α-helix	trans	-67.8	-32.4	173	-75.3	172.4	-179.7	-166.6	-0.5	112.8	R721 K723 K729	R721-R725 VanDerWaalsContact O-CB 3.27Å; R721-R725 WeakPolarHBondContact O-CB 3.49Å; R721-R725 WeakPolarHBondContact O-CG 3.34Å; R721-R725 PolarHBondContact O-N 2.78Å; K723-R725 VanDerWaalsContact C-N 3.3Å; K723-R725 PolarHBondContact O-N 3.25Å; R725-K729 VanDerWaalsContact O-CB 3.27Å; R725-K729 WeakPolarHBondContact O-CB 3.32Å; R725-K729 PolarHBondContact O-N 3Å
726	K	61.7	Low	63.7	Low	148 Å²	148	118.6 Å²	118.6	64%	0.643	53%	0.53	S	S	*	.	H	α-helix	trans	-71.6	-46.5	171.5	-74.5	-178.5	176.7	-170.9	0	111.1	K722 K723 K729 R730	K722-K726 WeakPolarHBondContact O-CG 3.2Å; K722-K726 PolarHBondContact O-N 3.19Å; K722-K726 VanDerWaalsContact O-N 3.16Å; K723-K726 CarbonylContact O-C 3.58Å; K723-K726 WeakPolarHBondContact O-CA 3.1Å; K723-K726 WeakPolarHBondContact O-CB 3.17Å; K723-K726 PolarHBondContact O-N 3.34Å; K726-K729 PolarHBondContact O-N 3.13Å; K726-K729 VanDerWaalsContact O-N 3.11Å; K726-R730 WeakPolarHBondContact O-CG 3.43Å; K726-R730 PolarHBondContact O-N 3.07Å
727	E	62.7	Low	64.2	Low	60 Å²	60	114.8 Å²	114.8	28%	0.28	51%	0.51	S	S	.	.	H	α-helix	trans	-57.8	-51.3	176.7	-121.7	70.4	-86.1	0	0	111.4	K723 E724 K729 R730 Q731	K723-E727 WeakPolarHBondContact CE-OE2 3.11Å; K723-E727 PolarHBondContact O-N 2.88Å; E724-E727 PolarHBondContact O-N 2.76Å; E727-K729 PolarHBondContact O-N 3.15Å; E727-R730 WeakPolarHBondContact O-CB 3.41Å; E727-R730 PolarHBondContact O-N 2.83Å; E727-R730 VanDerWaalsContact O-N 3.14Å; E727-R730 IonicContact OE1-CZ 3.05Å; E727-R730 IonicContact OE1-NH1 3.3Å; E727-R730 PolarHBondContact OE1-NH1 3.11Å; E727-Q731 WeakPolarHBondContact O-CG 3.34Å; E727-Q731 PolarHBondContact O-N 2.94Å
728	K	66	Low	64	Low	130 Å²	130	116.6 Å²	116.6	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-65.4	-24	176.9	-71.4	179.7	176.7	-179.9	0	113.2	E724 R732	E724-K728 WeakPolarHBondContact O-CB 3.37Å; E724-K728 WeakPolarHBondContact O-CG 3.39Å; E724-K728 PolarHBondContact O-N 2.93Å; K728-R732 VanDerWaalsContact O-CB 3.29Å; K728-R732 WeakPolarHBondContact O-CB 3.35Å; K728-R732 WeakPolarHBondContact O-CD 3.43Å; K728-R732 WeakPolarHBondContact O-CG 3.15Å; K728-R732 PolarHBondContact O-N 3.02Å
729	K	60.3	Low	64	Low	144 Å²	144	117.5 Å²	117.5	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-78.9	-33.1	173.5	-170.5	171.4	-178.2	179	0	112.5	R725 K726 E727 K733	R725-K729 VanDerWaalsContact O-CB 3.27Å; R725-K729 WeakPolarHBondContact O-CB 3.32Å; R725-K729 PolarHBondContact O-N 3Å; K726-K729 PolarHBondContact O-N 3.13Å; K726-K729 VanDerWaalsContact O-N 3.11Å; E727-K729 PolarHBondContact O-N 3.15Å; K729-K733 PolarHBondContact O-N 2.59Å
730	R	57.3	Low	64.2	Low	96 Å²	96	117.2 Å²	117.2	36%	0.362	55%	0.548	S	S	.	.	H	α-helix	trans	-68	-49.7	171.5	-73.3	164.7	162.1	-176.8	-16.7	111.9	K726 E727 R732 K733 G734 D735	K726-R730 WeakPolarHBondContact O-CG 3.43Å; K726-R730 PolarHBondContact O-N 3.07Å; E727-R730 WeakPolarHBondContact O-CB 3.41Å; E727-R730 PolarHBondContact O-N 2.83Å; E727-R730 VanDerWaalsContact O-N 3.14Å; E727-R730 IonicContact OE1-CZ 3.05Å; E727-R730 IonicContact OE1-NH1 3.3Å; E727-R730 PolarHBondContact OE1-NH1 3.11Å; R730-R732 VanDerWaalsContact C-N 3.28Å; R730-R732 PolarHBondContact O-N 3.48Å; R730-K733 CarbonylContact O-C 3.58Å; R730-K733 WeakPolarHBondContact O-CA 3.43Å; R730-K733 WeakPolarHBondContact O-CB 3.4Å; R730-K733 PolarHBondContact O-N 2.92Å; R730-G734 PolarHBondContact O-N 2.87Å; R730-G734 VanDerWaalsContact O-N 3.11Å; R730-D735 HydrophobicContact CB-CB 3.91Å; R730-D735 HydrophobicContact CG-CB 4.07Å; R730-D735 PolarHBondContact O-N 3.18Å; R730-D735 VanDerWaalsContact O-N 3.13Å
731	Q	58.2	Low	64.3	Low	145 Å²	145	113.7 Å²	113.7	68%	0.678	55%	0.551	S	S	*	*	H	α-helix	trans	-57.8	-40.3	176.1	-71.5	172.5	-24.8	0	0	111.8	E727 K733	E727-Q731 WeakPolarHBondContact O-CG 3.34Å; E727-Q731 PolarHBondContact O-N 2.94Å; Q731-K733 PolarHBondContact O-N 3.29Å
732	R	56.9	Low	64.7	Low	225 Å²	225	108.3 Å²	108.3	85%	0.849	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-4.5	173.5	-75.3	175.3	176.2	-160.4	-3.6	115	K728 R730	K728-R732 VanDerWaalsContact O-CB 3.29Å; K728-R732 WeakPolarHBondContact O-CB 3.35Å; K728-R732 WeakPolarHBondContact O-CD 3.43Å; K728-R732 WeakPolarHBondContact O-CG 3.15Å; K728-R732 PolarHBondContact O-N 3.02Å; R730-R732 VanDerWaalsContact C-N 3.28Å; R730-R732 PolarHBondContact O-N 3.48Å
733	K	52.2	Low	65.4	Low	139 Å²	139	103.8 Å²	103.8	60%	0.604	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-12.3	179	-99	-163.5	159.5	-136.9	0	114	K729 R730 Q731 D735	K729-K733 PolarHBondContact O-N 2.59Å; R730-K733 CarbonylContact O-C 3.58Å; R730-K733 WeakPolarHBondContact O-CA 3.43Å; R730-K733 WeakPolarHBondContact O-CB 3.4Å; R730-K733 PolarHBondContact O-N 2.92Å; Q731-K733 PolarHBondContact O-N 3.29Å; K733-D735 VanDerWaalsContact C-N 3.29Å; K733-D735 VanDerWaalsContact CB-OD2 3.24Å; K733-D735 WeakPolarHBondContact CB-OD2 3.27Å; K733-D735 VanDerWaalsContact CD-OD2 3.31Å; K733-D735 WeakPolarHBondContact CD-OD2 3.13Å
734	G	49.2	Very low	66.1	Low	61 Å²	61	97.7 Å²	97.7	63%	0.629	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	25.3	-166.4	0	0	0	0	0	113.2	R730 D736	R730-G734 PolarHBondContact O-N 2.87Å; R730-G734 VanDerWaalsContact O-N 3.11Å; G734-D736 VanDerWaalsContact C-N 3.31Å; G734-D736 PolarHBondContact O-N 3.02Å
735	D	54.2	Low	66.7	Low	46 Å²	46	99.7 Å²	99.7	25%	0.246	50%	0.498	C	S	.	.			trans	-73.6	79.2	177.1	-78	-60.1	0	0	0	110.9	R730 K733 C737 T746	R730-D735 HydrophobicContact CB-CB 3.91Å; R730-D735 HydrophobicContact CG-CB 4.07Å; R730-D735 PolarHBondContact O-N 3.18Å; R730-D735 VanDerWaalsContact O-N 3.13Å; K733-D735 VanDerWaalsContact C-N 3.29Å; K733-D735 VanDerWaalsContact CB-OD2 3.24Å; K733-D735 WeakPolarHBondContact CB-OD2 3.27Å; K733-D735 VanDerWaalsContact CD-OD2 3.31Å; K733-D735 WeakPolarHBondContact CD-OD2 3.13Å; D735-C737 PolarHBondContact O-N 3.16Å; D735-T746 PolarHBondContact OD1-OG1 3.25Å
736	D	61.5	Low	67.2	Low	159 Å²	159	93.3 Å²	93.3	85%	0.85	48%	0.48	S	S	*	.			trans	-67.3	12.2	169.9	-83.3	-11.4	0	0	0	113.5	G734 S738	G734-D736 VanDerWaalsContact C-N 3.31Å; G734-D736 PolarHBondContact O-N 3.02Å; D736-S738 VanDerWaalsContact C-N 3.26Å; D736-S738 PolarHBondContact O-N 3.38Å
737	C	72.9	Confident	68.3	Low	11 Å²	11	86.9 Å²	86.9	7%	0.074	45%	0.453	C	S	.	.			trans	-77.6	68.5	-177.8	-171.1	0	0	0	0	112.3	D735 C744 C764	D735-C737 PolarHBondContact O-N 3.16Å; C737-C744 WeakPolarHBondContact O-CB 3.23Å; C737-C764 WeakPolarHBondContact CA-SG 3.44Å; C737-C764 HydrophobicContact CB-CB 3.66Å; C737-C764 WeakPolarHBondContact CB-SG 3.11Å; C737-C764 WeakPolarHBondContact SG-CB 3.43Å; C737-C764 CovalentContact SG-SG 2.03Å; C737-C764 PolarHBondContact SG-SG 3.48Å
738	S	69.9	Low	69.2	Low	84 Å²	84	86.2 Å²	86.2	59%	0.587	45%	0.451	S	S	*	.			trans	-151	120.5	172.8	61	0	0	0	0	113.1	D736	D736-S738 VanDerWaalsContact C-N 3.26Å; D736-S738 PolarHBondContact O-N 3.38Å
739	L	72.9	Confident	69.7	Low	91 Å²	91	83.2 Å²	83.2	48%	0.476	44%	0.441	S	S	.	.			trans	-102.9	140.5	163.2	-68.3	179	0	0	0	109.8	G741 L742 C744 C766	L739-G741 PolarHBondContact O-N 3.07Å; L739-L742 HydrophobicContact CB-CB 4.31Å; L739-L742 HydrophobicContact CB-CD1 4.06Å; L739-L742 HydrophobicContact CD1-CD1 3.98Å; L739-L742 PolarHBondContact O-N 3.09Å; L739-C744 PolarHBondContact N-SG 2.87Å; L739-C766 HydrophobicContact CD1-CB 3.95Å; L739-C766 HydrophobicContact CG-CB 4.45Å
740	P	70.4	Confident	70.4	Confident	125 Å²	125	82.2 Å²	82.2	81%	0.812	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	130.8	178.4	-27.4	35.7	0	0	0	112.7	L742	P740-L742 PolarHBondContact O-N 2.79Å; P740-L742 VanDerWaalsContact O-N 3.14Å
741	G	73.4	Confident	71.4	Confident	50 Å²	50	80.5 Å²	80.5	52%	0.515	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-17.9	178.2	0	0	0	0	0	116.3	L739 S769	L739-G741 PolarHBondContact O-N 3.07Å; G741-S769 VanDerWaalsContact O-CB 3.23Å; G741-S769 WeakPolarHBondContact O-CB 3.45Å; G741-S769 PolarHBondContact O-OG 3.21Å
742	L	81.5	Confident	72.7	Confident	22 Å²	22	73.9 Å²	73.9	12%	0.115	41%	0.408	C	S	.	.	S	Bend	trans	-94.5	150.4	-179.8	-66.5	172.4	0	0	0	112.6	W260 I261 L739 P740 C766 S768	W260-L742 HydrophobicContact CH2-CD2 3.76Å; W260-L742 HydrophobicContact CH2-CG 4.41Å; W260-L742 HydrophobicContact CZ3-CD2 3.76Å; W260-L742 HydrophobicContact CZ3-CG 4.17Å; I261-L742 HydrophobicContact CD1-CD2 4.3Å; I261-L742 HydrophobicContact CG1-CD2 4.06Å; I261-L742 HydrophobicContact CG2-CD2 4.18Å; L739-L742 HydrophobicContact CB-CB 4.31Å; L739-L742 HydrophobicContact CB-CD1 4.06Å; L739-L742 HydrophobicContact CD1-CD1 3.98Å; L739-L742 PolarHBondContact O-N 3.09Å; P740-L742 PolarHBondContact O-N 2.79Å; P740-L742 VanDerWaalsContact O-N 3.14Å; L742-C766 HydrophobicContact CB-CB 4.13Å; L742-C766 HydrophobicContact CD1-CB 4.02Å; L742-S768 CarbonylContact C-O 3.5Å; L742-S768 WeakPolarHBondContact CA-O 3.23Å; L742-S768 WeakPolarHBondContact CD2-O 3.27Å
743	T	81.6	Confident	73.8	Confident	37 Å²	37	67.9 Å²	67.9	23%	0.227	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.4	168.2	54.3	0	0	0	0	109.2	S768	T743-S768 PolarHBondContact N-O 3.22Å; T743-S768 VanDerWaalsContact OG1-C 3.28Å; T743-S768 PolarHBondContact OG1-O 2.93Å
744	C	83.2	Confident	75.3	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.081	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.6	179.1	-53.5	0	0	0	0	112.4	C737 L739 A765 C766	C737-C744 WeakPolarHBondContact O-CB 3.23Å; L739-C744 PolarHBondContact N-SG 2.87Å; C744-A765 CarbonylContact C-O 3.44Å; C744-A765 VanDerWaalsContact CA-O 3.25Å; C744-A765 WeakPolarHBondContact CA-O 3.19Å; C744-C766 HydrophobicContact CB-CB 4.06Å; C744-C766 WeakPolarHBondContact CB-SG 3.41Å; C744-C766 WeakPolarHBondContact SG-CB 3.31Å; C744-C766 CovalentContact SG-SG 2.03Å; C744-C766 PolarHBondContact SG-SG 3Å
745	F	82.1	Confident	76.9	Confident	114 Å²	114	61.6 Å²	61.6	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.5	178.5	-58.7	-84.7	0	0	0	109.9	A765	F745-A765 PolarHBondContact N-O 3Å; F745-A765 PolarHBondContact O-N 2.91Å
746	T	83.2	Confident	78.4	Confident	60 Å²	60	61.5 Å²	61.5	37%	0.368	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.4	165.8	-42.5	0	0	0	0	107.9	D735 F763	D735-T746 PolarHBondContact OD1-OG1 3.25Å; T746-F763 CarbonylContact C-O 3.59Å; T746-F763 WeakPolarHBondContact CA-O 3.22Å
747	H	84.3	Confident	79.6	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.065	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.3	170.6	-68.3	-52.4	0	0	0	109.4	F275 A762 F763	F275-H747 HydrophobicContact CE2-CB 3.76Å; F275-H747 AromaticContact CE2-CG 3.86Å; F275-H747 HydrophobicContact CZ-CB 4.01Å; F275-H747 AromaticContact CZ-CD2 3.67Å; F275-H747 AromaticContact CZ-CG 3.55Å; F275-H747 AromaticContact CZ-ND1 3.89Å; H747-A762 CarbonylContact O-C 3.58Å; H747-A762 WeakPolarHBondContact O-CA 3.16Å; H747-A762 WeakPolarHBondContact O-CB 3.47Å; H747-F763 HydrophobicContact CB-CD1 4.3Å; H747-F763 HydrophobicContact CB-CE1 3.77Å; H747-F763 HydrophobicContact CB-CE2 4.39Å; H747-F763 HydrophobicContact CB-CZ 3.81Å; H747-F763 AromaticContact CD2-CE2 3.96Å; H747-F763 AromaticContact CD2-CZ 3.83Å; H747-F763 PolarHBondContact N-O 2.94Å; H747-F763 PolarHBondContact O-N 3.31Å
748	N	81.1	Confident	80.4	Confident	45 Å²	45	58.6 Å²	58.6	24%	0.241	34%	0.336	C	S	.	.			trans	-150.7	174.5	-178.3	75.3	-32.8	0	0	0	111	D750 H751 A762	N748-D750 VanDerWaalsContact C-N 3.25Å; N748-D750 PolarHBondContact ND2-OD2 3.08Å; N748-D750 PolarHBondContact O-N 3.4Å; N748-H751 PolarHBondContact O-N 2.99Å; N748-A762 HydrophobicContact CB-CB 3.85Å
749	N	76.5	Confident	81.3	Confident	68 Å²	68	59.8 Å²	59.8	36%	0.364	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64.6	-28.9	-171.3	-50.6	19.6	0	0	0	112.5	H751 W758	N749-H751 PolarHBondContact O-N 2.92Å; N749-W758 WeakPolarHBondContact CB-O 3.31Å; N749-W758 PolarHBondContact ND2-O 3.22Å; N749-W758 VanDerWaalsContact ND2-O 3.14Å; N749-W758 PolarHBondContact OD1-O 3.35Å
750	D	74.9	Confident	82	Confident	123 Å²	123	60 Å²	60	66%	0.658	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-66	-2.1	-178.9	-44.4	-21.8	0	0	0	114.9	N748	N748-D750 VanDerWaalsContact C-N 3.25Å; N748-D750 PolarHBondContact ND2-OD2 3.08Å; N748-D750 PolarHBondContact O-N 3.4Å
751	H	79.2	Confident	82.7	Confident	60 Å²	60	55.5 Å²	55.5	28%	0.278	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-73.9	-33.5	-170	-170	14.6	0	0	0	113.7	P228 N748 N749	P228-H751 WeakPolarHBondContact CB-O 3.22Å; N748-H751 PolarHBondContact O-N 2.99Å; N749-H751 PolarHBondContact O-N 2.92Å
752	W	84.5	Confident	83.3	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.019	32%	0.319	C	S	.	.			trans	-109.1	153	-175.3	-61.6	-84	0	0	0	111.8	E229 D230 F275 F278 L279 W758	E229-W752 PolarHBondContact OE2-NE1 3.44Å; D230-W752 WeakPolarHBondContact OD1-CB 3Å; F275-W752 HydrophobicContact CD2-CH2 4.5Å; F275-W752 AromaticContact CE2-CH2 3.73Å; F275-W752 HydrophobicContact CE2-CH2 3.73Å; F275-W752 HydrophobicContact CZ-CH2 4.31Å; F278-W752 HydrophobicContact CD1-CH2 4.13Å; F278-W752 HydrophobicContact CD1-CZ2 4.27Å; F278-W752 HydrophobicContact CE1-CD2 4.13Å; F278-W752 AromaticContact CE1-CE2 3.97Å; F278-W752 HydrophobicContact CE1-CE3 4.04Å; F278-W752 AromaticContact CE1-CH2 3.63Å; F278-W752 HydrophobicContact CE1-CH2 3.63Å; F278-W752 AromaticContact CE1-CZ2 3.73Å; F278-W752 HydrophobicContact CE1-CZ2 3.73Å; F278-W752 AromaticContact CE1-CZ3 3.81Å; F278-W752 HydrophobicContact CE1-CZ3 3.81Å; F278-W752 HydrophobicContact CZ-CE3 4.44Å; L279-W752 HydrophobicContact CD1-CZ2 4.43Å; W752-W758 HydrophobicContact CE3-CB 4.14Å; W752-W758 HydrophobicContact CH2-CB 4.36Å; W752-W758 HydrophobicContact CZ3-CB 3.52Å; W752-W758 HydrophobicContact CZ3-CG 4.31Å
753	Q	81.9	Confident	83.7	Confident	100 Å²	100	56.2 Å²	56.2	47%	0.467	32%	0.318	S	S	.	.	S	Bend	trans	-100.5	-23.2	172.9	-56.3	-63.5	-99.8	0	0	112.3	Y170 N171 D230	Y170-Q753 HydrophobicContact CD2-CB 4.39Å; N171-Q753 PolarHBondContact ND2-OE1 3.45Å; N171-Q753 VanDerWaalsContact ND2-OE1 3.15Å; D230-Q753 VanDerWaalsContact CG-N 3.31Å; D230-Q753 PolarHBondContact OD1-N 2.81Å; D230-Q753 PolarHBondContact OD2-N 2.03Å; D230-Q753 VanDerWaalsContact OD2-N 3.15Å
754	T	82.8	Confident	84	Confident	18 Å²	18	56.7 Å²	56.7	11%	0.11	32%	0.322	C	S	.	.	S	Bend	trans	-108.7	148	-176.8	58	0	0	0	0	112.2	Y170 D230 S231 K282	Y170-T754 HydrophobicContact CD2-CG2 4.5Å; Y170-T754 HydrophobicContact CE2-CG2 3.67Å; D230-T754 WeakPolarHBondContact CA-OG1 3.42Å; D230-T754 HydrophobicContact CB-CG2 4.3Å; D230-T754 PolarHBondContact OD1-N 3Å; D230-T754 PolarHBondContact OD1-OG1 3.33Å; S231-T754 PolarHBondContact N-OG1 2.92Å; S231-T754 WeakPolarHBondContact O-CG2 3.36Å; K282-T754 PolarHBondContact NZ-O 3.03Å; K282-T754 PolarHBondContact NZ-OG1 2.91Å; K282-T754 VanDerWaalsContact NZ-OG1 3.15Å
755	A	82.1	Confident	84.1	Confident	49 Å²	49	56.2 Å²	56.2	41%	0.405	32%	0.319	S	S	.	.	S	Bend	trans	-65.2	161.6	172.6	0	0	0	0	0	112	A236 K282 F757	A236-A755 WeakPolarHBondContact CB-O 3.38Å; K282-A755 VanDerWaalsContact NZ-C 3.34Å; K282-A755 PolarHBondContact NZ-O 2.86Å; A755-F757 HydrophobicContact CB-CE2 4.19Å
756	P	85.5	Confident	84.3	Confident	44 Å²	44	51.9 Å²	51.9	29%	0.286	30%	0.303	S	S	.	.	S	Bend	cis	-62.8	151.9	-17.1	30.2	-37.5	0	0	0	110.8	A236 F278 K282	A236-P756 WeakPolarHBondContact O-CD 3.47Å; F278-P756 HydrophobicContact CE2-CB 4.11Å; F278-P756 HydrophobicContact CE2-CG 3.9Å; F278-P756 WeakPolarHBondContact CZ-O 3.2Å; K282-P756 WeakPolarHBondContact CE-O 3.24Å; K282-P756 PolarHBondContact NZ-O 2.82Å
757	F	87.7	Confident	84.2	Confident	103 Å²	103	49.4 Å²	49.4	45%	0.452	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-95.8	153.5	174.1	-60.2	-72.4	0	0	0	110.7	A755	A755-F757 HydrophobicContact CB-CE2 4.19Å
758	W	89.4	Confident	84	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.027	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.6	132.4	171.1	178.2	-104.7	0	0	0	110.4	I271 E274 F275 F278 N749 W752 L760 G761 F763	I271-W758 HydrophobicContact CD1-CZ2 4.34Å; I271-W758 HydrophobicContact CG1-CH2 4.28Å; I271-W758 HydrophobicContact CG1-CZ2 3.75Å; I271-W758 WeakPolarHBondContact O-CH2 3.46Å; E274-W758 HydrophobicContact CB-CH2 3.97Å; E274-W758 HydrophobicContact CB-CZ3 4.23Å; F275-W758 VanDerWaalsContact CA-CZ3 3.5Å; F275-W758 HydrophobicContact CB-CH2 3.59Å; F275-W758 HydrophobicContact CB-CZ2 4.1Å; F275-W758 HydrophobicContact CB-CZ3 3.91Å; F275-W758 HydrophobicContact CD2-CD2 4.17Å; F275-W758 HydrophobicContact CD2-CE3 4.22Å; F275-W758 HydrophobicContact CD2-CH2 4.3Å; F275-W758 HydrophobicContact CD2-CZ2 4.23Å; F275-W758 HydrophobicContact CD2-CZ3 4.31Å; F275-W758 HydrophobicContact CG-CH2 4.47Å; F278-W758 HydrophobicContact CB-CE3 4.2Å; F278-W758 HydrophobicContact CB-CZ3 4.16Å; F278-W758 HydrophobicContact CD1-CE3 4.14Å; F278-W758 HydrophobicContact CD2-CE3 4.33Å; F278-W758 HydrophobicContact CE1-CB 4.25Å; F278-W758 AromaticContact CG-CE3 3.98Å; F278-W758 HydrophobicContact CG-CE3 3.98Å; F278-W758 HydrophobicContact CG-CZ3 4.43Å; F278-W758 HydrophobicContact CZ-CB 4.23Å; N749-W758 WeakPolarHBondContact CB-O 3.31Å; N749-W758 PolarHBondContact ND2-O 3.22Å; N749-W758 VanDerWaalsContact ND2-O 3.14Å; N749-W758 PolarHBondContact OD1-O 3.35Å; W752-W758 HydrophobicContact CE3-CB 4.14Å; W752-W758 HydrophobicContact CH2-CB 4.36Å; W752-W758 HydrophobicContact CZ3-CB 3.52Å; W752-W758 HydrophobicContact CZ3-CG 4.31Å; W758-L760 HydrophobicContact CH2-CB 4.03Å; W758-L760 HydrophobicContact CH2-CD1 3.86Å; W758-L760 HydrophobicContact CH2-CG 4.25Å; W758-L760 HydrophobicContact CZ2-CB 3.73Å; W758-L760 HydrophobicContact CZ2-CD1 4.41Å; W758-L760 HydrophobicContact CZ2-CG 4.42Å; W758-L760 HydrophobicContact CZ3-CD1 4.25Å; W758-G761 PolarHBondContact NE1-O 3.28Å; W758-F763 HydrophobicContact CZ2-CD1 4.29Å; W758-F763 AromaticContact CZ2-CE1 3.98Å; W758-F763 HydrophobicContact CZ2-CE1 3.98Å
759	T	88.7	Confident	84	Confident	108 Å²	108	47.5 Å²	47.5	66%	0.663	28%	0.279	S	S	*	.			trans	-121.3	-22.5	-171.9	51.4	0	0	0	0	114.5	G761	T759-G761 PolarHBondContact O-N 3.13Å
760	L	87.1	Confident	83.8	Confident	95 Å²	95	48.7 Å²	48.7	50%	0.497	29%	0.286	S	S	.	.	S	Bend	trans	-77.1	20.9	-169.9	-55.6	-179.7	0	0	0	114.9	I271 E274 W758	I271-L760 VanDerWaalsContact CD1-O 3.25Å; I271-L760 WeakPolarHBondContact CD1-O 3.32Å; E274-L760 HydrophobicContact CB-CD1 3.67Å; E274-L760 HydrophobicContact CG-CD1 3.86Å; W758-L760 HydrophobicContact CH2-CB 4.03Å; W758-L760 HydrophobicContact CH2-CD1 3.86Å; W758-L760 HydrophobicContact CH2-CG 4.25Å; W758-L760 HydrophobicContact CZ2-CB 3.73Å; W758-L760 HydrophobicContact CZ2-CD1 4.41Å; W758-L760 HydrophobicContact CZ2-CG 4.42Å; W758-L760 HydrophobicContact CZ3-CD1 4.25Å
761	G	85	Confident	83.7	Confident	31 Å²	31	48.8 Å²	48.8	32%	0.32	29%	0.286	S	S	.	.			trans	83.5	170.6	177.8	0	0	0	0	0	114.6	W758 T759	W758-G761 PolarHBondContact NE1-O 3.28Å; T759-G761 PolarHBondContact O-N 3.13Å
762	A	87.4	Confident	84	Confident	68 Å²	68	46.1 Å²	46.1	56%	0.562	27%	0.274	S	S	*	.			trans	-82.5	144.3	-177.8	0	0	0	0	0	112.3	H747 N748	H747-A762 CarbonylContact O-C 3.58Å; H747-A762 WeakPolarHBondContact O-CA 3.16Å; H747-A762 WeakPolarHBondContact O-CB 3.47Å; N748-A762 HydrophobicContact CB-CB 3.85Å
763	F	89.6	Confident	84.3	Confident	20 Å²	20	46.5 Å²	46.5	9%	0.088	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	170.7	175.9	72.3	-85.1	0	0	0	111.8	I271 H272 F275 V328 T746 H747 W758 A765	I271-F763 HydrophobicContact CD1-CB 4.15Å; I271-F763 HydrophobicContact CD1-CD1 4.07Å; I271-F763 HydrophobicContact CD1-CG 4.39Å; I271-F763 HydrophobicContact CG1-CD1 4.09Å; H272-F763 AromaticContact CD2-CD2 3.48Å; H272-F763 VanDerWaalsContact CD2-CD2 3.48Å; H272-F763 WeakPolarHBondContact CD2-CD2 3.38Å; H272-F763 AromaticContact CD2-CE2 3.68Å; H272-F763 AromaticContact NE2-CD2 3.67Å; F275-F763 HydrophobicContact CB-CE1 3.95Å; F275-F763 HydrophobicContact CB-CZ 3.8Å; F275-F763 HydrophobicContact CD1-CE1 4.49Å; F275-F763 AromaticContact CD1-CZ 3.75Å; F275-F763 HydrophobicContact CD1-CZ 3.75Å; F275-F763 AromaticContact CD2-CE1 3.41Å; F275-F763 HydrophobicContact CD2-CE1 3.41Å; F275-F763 VanDerWaalsContact CD2-CE1 3.41Å; F275-F763 AromaticContact CD2-CZ 3.47Å; F275-F763 HydrophobicContact CD2-CZ 3.47Å; F275-F763 VanDerWaalsContact CD2-CZ 3.47Å; F275-F763 HydrophobicContact CE1-CZ 4.08Å; F275-F763 AromaticContact CE2-CE1 3.87Å; F275-F763 HydrophobicContact CE2-CE1 3.87Å; F275-F763 AromaticContact CE2-CZ 3.79Å; F275-F763 HydrophobicContact CE2-CZ 3.79Å; F275-F763 AromaticContact CG-CE1 3.73Å; F275-F763 HydrophobicContact CG-CE1 3.73Å; F275-F763 AromaticContact CG-CZ 3.41Å; F275-F763 HydrophobicContact CG-CZ 3.41Å; F275-F763 VanDerWaalsContact CG-CZ 3.41Å; F275-F763 HydrophobicContact CZ-CZ 4.09Å; V328-F763 HydrophobicContact CG1-CE2 4.14Å; V328-F763 HydrophobicContact CG1-CZ 4.38Å; T746-F763 CarbonylContact C-O 3.59Å; T746-F763 WeakPolarHBondContact CA-O 3.22Å; H747-F763 HydrophobicContact CB-CD1 4.3Å; H747-F763 HydrophobicContact CB-CE1 3.77Å; H747-F763 HydrophobicContact CB-CE2 4.39Å; H747-F763 HydrophobicContact CB-CZ 3.81Å; H747-F763 AromaticContact CD2-CE2 3.96Å; H747-F763 AromaticContact CD2-CZ 3.83Å; H747-F763 PolarHBondContact N-O 2.94Å; H747-F763 PolarHBondContact O-N 3.31Å; W758-F763 HydrophobicContact CZ2-CD1 4.29Å; W758-F763 AromaticContact CZ2-CE1 3.98Å; W758-F763 HydrophobicContact CZ2-CE1 3.98Å; F763-A765 HydrophobicContact CE2-CB 4.22Å
764	C	87.2	Confident	84.9	Confident	46 Å²	46	41.7 Å²	41.7	31%	0.311	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.8	179.6	-179.6	0	0	0	0	111.6	C737	C737-C764 WeakPolarHBondContact CA-SG 3.44Å; C737-C764 HydrophobicContact CB-CB 3.66Å; C737-C764 WeakPolarHBondContact CB-SG 3.11Å; C737-C764 WeakPolarHBondContact SG-CB 3.43Å; C737-C764 CovalentContact SG-SG 2.03Å; C737-C764 PolarHBondContact SG-SG 3.48Å
765	A	85.9	Confident	85.6	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139	169.9	0	0	0	0	0	111.3	V328 C744 F745 F763 T767	V328-A765 HydrophobicContact CB-CB 3.98Å; V328-A765 HydrophobicContact CG1-CB 4.44Å; V328-A765 HydrophobicContact CG2-CB 4.05Å; C744-A765 CarbonylContact C-O 3.44Å; C744-A765 VanDerWaalsContact CA-O 3.25Å; C744-A765 WeakPolarHBondContact CA-O 3.19Å; F745-A765 PolarHBondContact N-O 3Å; F745-A765 PolarHBondContact O-N 2.91Å; F763-A765 HydrophobicContact CE2-CB 4.22Å; A765-T767 HydrophobicContact CB-CG2 4.39Å
766	C	85.8	Confident	86.3	Confident	23 Å²	23	39.1 Å²	39.1	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	93.7	179.9	-59	0	0	0	0	109.3	L739 L742 C744	L739-C766 HydrophobicContact CD1-CB 3.95Å; L739-C766 HydrophobicContact CG-CB 4.45Å; L742-C766 HydrophobicContact CB-CB 4.13Å; L742-C766 HydrophobicContact CD1-CB 4.02Å; C744-C766 HydrophobicContact CB-CB 4.06Å; C744-C766 WeakPolarHBondContact CB-SG 3.41Å; C744-C766 WeakPolarHBondContact SG-CB 3.31Å; C744-C766 CovalentContact SG-SG 2.03Å; C744-C766 PolarHBondContact SG-SG 3Å
767	T	80.8	Confident	86.9	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.049	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-0.6	-164.1	53.2	0	0	0	0	115.2	L327 V328 K329 M333 A765	L327-T767 HydrophobicContact CB-CG2 4.35Å; V328-T767 HydrophobicContact CB-CG2 4.32Å; K329-T767 WeakPolarHBondContact O-CB 3.45Å; K329-T767 PolarHBondContact O-OG1 2.69Å; M333-T767 WeakPolarHBondContact CE-O 3.41Å; A765-T767 HydrophobicContact CB-CG2 4.39Å
768	S	80.6	Confident	87.3	Confident	15 Å²	15	32.4 Å²	32.4	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	178.1	177.4	-167.3	0	0	0	0	111.6	S332 R416 L742 T743	S332-S768 PolarHBondContact OG-OG 3.45Å; R416-S768 PolarHBondContact NH2-OG 3.38Å; L742-S768 CarbonylContact C-O 3.5Å; L742-S768 WeakPolarHBondContact CA-O 3.23Å; L742-S768 WeakPolarHBondContact CD2-O 3.27Å; T743-S768 PolarHBondContact N-O 3.22Å; T743-S768 VanDerWaalsContact OG1-C 3.28Å; T743-S768 PolarHBondContact OG1-O 2.93Å
769	S	81.5	Confident	87.6	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.021	20%	0.201	C	C	.	.			trans	-150	134.6	169.8	178.3	0	0	0	0	111.1	R416 G741 N771 N772	R416-S769 PolarHBondContact NH2-O 3.03Å; G741-S769 VanDerWaalsContact O-CB 3.23Å; G741-S769 WeakPolarHBondContact O-CB 3.45Å; G741-S769 PolarHBondContact O-OG 3.21Å; S769-N771 PolarHBondContact O-N 3.46Å; S769-N771 VanDerWaalsContact O-N 3.08Å; S769-N771 PolarHBondContact OG-N 3.36Å; S769-N772 PolarHBondContact O-N 2.86Å; S769-N772 VanDerWaalsContact O-N 3.12Å
770	N	72.6	Confident	87.9	Confident	94 Å²	94	28.7 Å²	28.7	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.2	173.2	-69.1	-28.7	0	0	0	113.6
771	N	73.1	Confident	88	Confident	125 Å²	125	27 Å²	27	67%	0.668	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.7	179.9	-65.8	4	0	0	0	113	S769 T773	S769-N771 PolarHBondContact O-N 3.46Å; S769-N771 VanDerWaalsContact O-N 3.08Å; S769-N771 PolarHBondContact OG-N 3.36Å; N771-T773 PolarHBondContact O-N 2.86Å; N771-T773 PolarHBondContact O-OG1 3.06Å; N771-T773 VanDerWaalsContact O-OG1 3.12Å
772	N	85.6	Confident	88.1	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	20%	0.197	C	C	.	.			trans	-68.4	103.9	180	-160.7	33.7	0	0	0	109.6	W260 I261 R416 S769	W260-N772 HydrophobicContact CZ2-CB 4.44Å; W260-N772 PolarHBondContact NE1-OD1 3.09Å; I261-N772 HydrophobicContact CD1-CB 3.95Å; R416-N772 WeakPolarHBondContact CD-O 3.45Å; R416-N772 PolarHBondContact NE-O 2.91Å; S769-N772 PolarHBondContact O-N 2.86Å; S769-N772 VanDerWaalsContact O-N 3.12Å
773	T	90.9	Very high	88.2	Confident	13 Å²	13	36.8 Å²	36.8	8%	0.08	20%	0.199	C	C	.	.			trans	-118.2	125.6	-173.8	-57.2	0	0	0	0	108.2	R416 K418 N771 W775 S792	R416-T773 CarbonylContact O-C 3.58Å; R416-T773 VanDerWaalsContact O-CA 3.27Å; R416-T773 WeakPolarHBondContact O-CA 3.49Å; R416-T773 WeakPolarHBondContact O-CG2 3.4Å; K418-T773 WeakPolarHBondContact O-CG2 3.31Å; N771-T773 PolarHBondContact O-N 2.86Å; N771-T773 PolarHBondContact O-OG1 3.06Å; N771-T773 VanDerWaalsContact O-OG1 3.12Å; T773-W775 HydrophobicContact CG2-CH2 3.5Å; T773-W775 HydrophobicContact CG2-CZ2 3.75Å; T773-W775 HydrophobicContact CG2-CZ3 4.1Å; T773-S792 PolarHBondContact O-N 3.44Å
774	Y	94.3	Very high	88.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.4	-178.1	59.1	-109.3	0	0	0	111.4	P86 S332 M333 P334 V414 R416 E790 F791	P86-Y774 WeakPolarHBondContact CG-OH 3.37Å; S332-Y774 WeakPolarHBondContact O-CE1 3.44Å; S332-Y774 PolarHBondContact O-OH 2.96Å; M333-Y774 VanDerWaalsContact C-OH 3.25Å; M333-Y774 PolarHBondContact O-OH 2.81Å; P334-Y774 HydrophobicContact CB-CD2 4.16Å; P334-Y774 HydrophobicContact CB-CE2 3.76Å; V414-Y774 HydrophobicContact CG1-CE2 4.24Å; R416-Y774 HydrophobicContact CB-CD1 4.2Å; R416-Y774 HydrophobicContact CB-CD2 4.09Å; R416-Y774 HydrophobicContact CB-CE1 3.79Å; R416-Y774 HydrophobicContact CB-CE2 3.62Å; R416-Y774 HydrophobicContact CB-CG 4.34Å; R416-Y774 VanDerWaalsContact CB-CZ 3.45Å; R416-Y774 VanDerWaalsContact CD-CE1 3.45Å; R416-Y774 HydrophobicContact CG-CE1 4.22Å; R416-Y774 PolarHBondContact N-O 2.81Å; R416-Y774 PolarHBondContact O-N 3.37Å; Y774-E790 VanDerWaalsContact CA-O 3.25Å; Y774-E790 WeakPolarHBondContact CA-O 3.07Å; Y774-F791 HydrophobicContact CD1-CD1 4.13Å; Y774-F791 AromaticContact CD1-CE1 3.63Å; Y774-F791 HydrophobicContact CD1-CE1 3.63Å; Y774-F791 HydrophobicContact CD1-CZ 4.37Å; Y774-F791 HydrophobicContact CG-CD1 4.37Å; Y774-F791 HydrophobicContact CG-CE1 4.04Å
775	W	96.3	Very high	88.7	Confident	13 Å²	13	39.7 Å²	39.7	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.7	171.1	-56.3	-88.7	0	0	0	108.1	L413 V414 T773 E790 L827 R831	L413-W775 HydrophobicContact CD1-CB 4.17Å; V414-W775 CarbonylContact O-C 3.56Å; V414-W775 WeakPolarHBondContact O-CA 3.23Å; T773-W775 HydrophobicContact CG2-CH2 3.5Å; T773-W775 HydrophobicContact CG2-CZ2 3.75Å; T773-W775 HydrophobicContact CG2-CZ3 4.1Å; W775-E790 PolarHBondContact N-O 3.16Å; W775-E790 PolarHBondContact O-N 3Å; W775-L827 HydrophobicContact CB-CD1 3.94Å; W775-L827 HydrophobicContact CB-CD2 4.22Å; W775-L827 HydrophobicContact CB-CG 4.32Å; W775-R831 HydrophobicContact CB-CG 3.98Å; W775-R831 VanDerWaalsContact CD2-CZ 3.4Å; W775-R831 VanDerWaalsContact CD2-NE 3.34Å; W775-R831 VanDerWaalsContact CE3-CZ 3.43Å; W775-R831 VanDerWaalsContact CE3-NH2 3.26Å; W775-R831 HydrophobicContact CG-CG 3.84Å; W775-R831 VanDerWaalsContact CH2-NH2 3.29Å
776	C	97.6	Very high	89.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.5	-178.2	-48.3	0	0	0	0	112	P334 L413 V414 L787 F788 C789	P334-C776 WeakPolarHBondContact CB-SG 3.48Å; L413-C776 CarbonylContact C-O 3.33Å; L413-C776 WeakPolarHBondContact CA-O 3.18Å; V414-C776 HydrophobicContact CB-CB 4.26Å; V414-C776 PolarHBondContact N-O 3.28Å; V414-C776 PolarHBondContact O-N 3.39Å; C776-L787 HydrophobicContact CB-CD1 3.8Å; C776-F788 CarbonylContact C-O 3.51Å; C776-F788 WeakPolarHBondContact CA-O 3.11Å; C776-F788 VanDerWaalsContact CB-O 3.24Å; C776-F788 WeakPolarHBondContact CB-O 3.2Å; C776-C789 HydrophobicContact CB-CB 3.98Å; C776-C789 WeakPolarHBondContact CB-SG 3.37Å; C776-C789 VanDerWaalsContact SG-CA 3.56Å; C776-C789 WeakPolarHBondContact SG-CB 3.03Å; C776-C789 CovalentContact SG-SG 2.03Å; C776-C789 PolarHBondContact SG-SG 3.32Å
777	L	96.9	Very high	89.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.2	160.9	-64.7	-176.6	0	0	0	108.8	T411 F412 L787 F788 L823 Q826 L827 M830	T411-L777 HydrophobicContact CG2-CB 4.06Å; T411-L777 HydrophobicContact CG2-CD1 4.41Å; T411-L777 HydrophobicContact CG2-CD2 3.91Å; T411-L777 HydrophobicContact CG2-CG 4.34Å; F412-L777 WeakPolarHBondContact O-CA 3.43Å; L777-L787 WeakPolarHBondContact O-CA 3.2Å; L777-F788 PolarHBondContact N-O 3.49Å; L777-F788 PolarHBondContact O-N 3.4Å; L777-L823 HydrophobicContact CD1-CD2 4.13Å; L777-L823 WeakPolarHBondContact CD1-O 3.31Å; L777-Q826 HydrophobicContact CD1-CB 3.84Å; L777-Q826 HydrophobicContact CD1-CG 3.74Å; L777-L827 HydrophobicContact CD1-CB 4.21Å; L777-L827 HydrophobicContact CD2-CB 4.32Å; L777-L827 HydrophobicContact CD2-CD1 3.87Å; L777-L827 HydrophobicContact CG-CB 3.99Å; L777-L827 HydrophobicContact CG-CD1 3.84Å; L777-M830 HydrophobicContact CD2-CB 4.27Å; L777-M830 HydrophobicContact CD2-CG 4.04Å
778	R	96.9	Very high	90.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.8	165.4	-172.8	77.6	178.4	78	9.3	107.6	D336 T411 F412 N785 T786 L787	D336-R778 IonicContact OD1-CZ 2.63Å; D336-R778 IonicContact OD1-NE 2.66Å; D336-R778 PolarHBondContact OD1-NE 3.43Å; D336-R778 IonicContact OD1-NH2 3.41Å; D336-R778 IonicContact OD2-CZ 3.47Å; D336-R778 IonicContact OD2-NE 3.49Å; D336-R778 PolarHBondContact OD2-NE 2.85Å; D336-R778 IonicContact OD2-NH2 3.55Å; D336-R778 PolarHBondContact OD2-NH2 3.4Å; T411-R778 WeakPolarHBondContact CA-O 3.34Å; F412-R778 HydrophobicContact CD1-CB 4.05Å; F412-R778 HydrophobicContact CD1-CG 4.48Å; F412-R778 WeakPolarHBondContact CD1-O 3.32Å; F412-R778 HydrophobicContact CE1-CB 3.52Å; F412-R778 HydrophobicContact CE1-CG 3.57Å; F412-R778 HydrophobicContact CE2-CB 4.22Å; F412-R778 HydrophobicContact CZ-CB 3.6Å; F412-R778 HydrophobicContact CZ-CG 3.72Å; F412-R778 PolarHBondContact N-O 2.92Å; F412-R778 PolarHBondContact O-N 3.06Å; R778-N785 PolarHBondContact NH1-OD1 3Å; R778-N785 PolarHBondContact NH2-OD1 2.84Å; R778-T786 WeakPolarHBondContact CD-O 3.42Å; R778-T786 PolarHBondContact NH1-O 3.41Å; R778-L787 HydrophobicContact CB-CD1 4.39Å
779	T	95.6	Very high	91.4	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.08	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129	-177.5	-61.5	0	0	0	0	109.8	D410 T411 H784 N785 T786	D410-T779 CarbonylContact O-C 3.5Å; D410-T779 VanDerWaalsContact O-CA 3.27Å; D410-T779 WeakPolarHBondContact O-CA 3.3Å; T411-T779 WeakPolarHBondContact CG2-OG1 3.44Å; T411-T779 PolarHBondContact OG1-OG1 2.81Å; T779-H784 HydrophobicContact CG2-CB 4.22Å; T779-N785 CarbonylContact O-C 3.53Å; T779-N785 VanDerWaalsContact O-CA 3.31Å; T779-N785 WeakPolarHBondContact O-CA 3.28Å; T779-T786 PolarHBondContact N-O 2.9Å; T779-T786 PolarHBondContact O-N 3.04Å
780	I	94.6	Very high	92.1	Very high	24 Å²	24	38.7 Å²	38.7	12%	0.123	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.3	173.7	-53.9	-174.1	0	0	0	108.8	F82 L359 D410 H784	F82-I780 HydrophobicContact CE2-CD1 3.7Å; F82-I780 HydrophobicContact CZ-CD1 3.66Å; L359-I780 HydrophobicContact CD1-CB 4.35Å; L359-I780 HydrophobicContact CD2-CB 3.81Å; L359-I780 HydrophobicContact CD2-CD1 3.81Å; L359-I780 HydrophobicContact CD2-CG1 3.95Å; L359-I780 HydrophobicContact CG-CB 4.28Å; D410-I780 PolarHBondContact O-N 3.23Å; I780-H784 CarbonylContact C-O 3.54Å; I780-H784 VanDerWaalsContact CA-O 3.32Å; I780-H784 WeakPolarHBondContact CA-O 3.28Å
781	N	90.2	Very high	93.1	Very high	60 Å²	60	34.5 Å²	34.5	32%	0.321	18%	0.177	S	C	.	.	S	Bend	trans	-145	-170.4	169.7	63.8	41.7	0	0	0	110.2	D410 T783 H784	D410-N781 HydrophobicContact CB-CB 4.03Å; D410-N781 PolarHBondContact OD2-ND2 3.3Å; N781-T783 PolarHBondContact O-N 3.09Å; N781-T783 VanDerWaalsContact O-N 3.09Å; N781-T783 PolarHBondContact OD1-N 2.9Å; N781-T783 PolarHBondContact OD1-OG1 3.38Å; N781-H784 PolarHBondContact N-O 2.9Å; N781-H784 PolarHBondContact OD1-N 3.17Å
782	E	87.1	Confident	93.9	Very high	204 Å²	204	31.1 Å²	31.1	95%	0.953	16%	0.163	S	C	*	.	S	Bend	trans	-60.9	-16.6	-176.5	-62.5	174	-178.7	0	0	114.7
783	T	88.7	Confident	94	Very high	100 Å²	100	34.2 Å²	34.2	61%	0.613	18%	0.182	S	C	*	.	S	Bend	trans	-125.4	-27.6	-174.9	53.6	0	0	0	0	114	N781	N781-T783 PolarHBondContact O-N 3.09Å; N781-T783 VanDerWaalsContact O-N 3.09Å; N781-T783 PolarHBondContact OD1-N 2.9Å; N781-T783 PolarHBondContact OD1-OG1 3.38Å
784	H	92.1	Very high	93.8	Very high	96 Å²	96	36.1 Å²	36.1	44%	0.444	21%	0.205	S	C	.	.			trans	-122.9	132.1	-175.1	-65.9	73.2	0	0	0	110.9	T779 I780 N781 T786	T779-H784 HydrophobicContact CG2-CB 4.22Å; I780-H784 CarbonylContact C-O 3.54Å; I780-H784 VanDerWaalsContact CA-O 3.32Å; I780-H784 WeakPolarHBondContact CA-O 3.28Å; N781-H784 PolarHBondContact N-O 2.9Å; N781-H784 PolarHBondContact OD1-N 3.17Å; H784-T786 HydrophobicContact CB-CG2 4.33Å
785	N	96.1	Very high	93.8	Very high	31 Å²	31	37.2 Å²	37.2	17%	0.166	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	66.1	172.9	-178	9.9	0	0	0	108.9	R778 T779 L801 N802	R778-N785 PolarHBondContact NH1-OD1 3Å; R778-N785 PolarHBondContact NH2-OD1 2.84Å; T779-N785 CarbonylContact O-C 3.53Å; T779-N785 VanDerWaalsContact O-CA 3.31Å; T779-N785 WeakPolarHBondContact O-CA 3.28Å; N785-L801 WeakPolarHBondContact O-CB 3.49Å; N785-L801 VanDerWaalsContact O-CD1 3.3Å; N785-L801 WeakPolarHBondContact O-CD1 3.43Å; N785-L801 PolarHBondContact O-N 3.26Å; N785-N802 VanDerWaalsContact CB-CG 3.48Å; N785-N802 WeakPolarHBondContact CB-OD1 3.29Å; N785-N802 PolarHBondContact ND2-OD1 2.03Å
786	T	96.8	Very high	93.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	157.7	-163.3	60.5	0	0	0	0	112.8	R778 T779 H784 Y798 F799 D800	R778-T786 WeakPolarHBondContact CD-O 3.42Å; R778-T786 PolarHBondContact NH1-O 3.41Å; T779-T786 PolarHBondContact N-O 2.9Å; T779-T786 PolarHBondContact O-N 3.04Å; H784-T786 HydrophobicContact CB-CG2 4.33Å; T786-Y798 WeakPolarHBondContact CG2-OH 3.45Å; T786-F799 CarbonylContact C-O 3.53Å; T786-F799 VanDerWaalsContact CA-O 3.28Å; T786-F799 WeakPolarHBondContact CA-O 3.31Å; T786-D800 HydrophobicContact CG2-CB 4.26Å
787	L	97.8	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.9	171	174.3	60	0	0	0	108.4	Y335 C776 L777 R778 Y798 F799 L801	Y335-L787 HydrophobicContact CD1-CD2 4.43Å; C776-L787 HydrophobicContact CB-CD1 3.8Å; L777-L787 WeakPolarHBondContact O-CA 3.2Å; R778-L787 HydrophobicContact CB-CD1 4.39Å; L787-Y798 CarbonylContact O-C 3.55Å; L787-Y798 WeakPolarHBondContact O-CA 3.38Å; L787-F799 HydrophobicContact CB-CD2 4.4Å; L787-F799 HydrophobicContact CD2-CD2 4.17Å; L787-F799 HydrophobicContact CG-CD2 4.32Å; L787-F799 PolarHBondContact N-O 3.1Å; L787-F799 PolarHBondContact O-N 3.07Å; L787-L801 HydrophobicContact CB-CD1 3.97Å
788	F	97.7	Very high	93.8	Very high	2 Å²	2	40 Å²	40	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.9	174.5	170.5	-108.3	0	0	0	109.6	C776 L777 E790 L796 E797 Y798 L820 L823 L827	C776-F788 CarbonylContact C-O 3.51Å; C776-F788 WeakPolarHBondContact CA-O 3.11Å; C776-F788 VanDerWaalsContact CB-O 3.24Å; C776-F788 WeakPolarHBondContact CB-O 3.2Å; L777-F788 PolarHBondContact N-O 3.49Å; L777-F788 PolarHBondContact O-N 3.4Å; F788-E790 HydrophobicContact CE1-CG 3.8Å; F788-E790 HydrophobicContact CZ-CG 3.77Å; F788-E790 WeakPolarHBondContact CZ-OE1 3.25Å; F788-L796 HydrophobicContact CZ-CD2 4.39Å; F788-E797 CarbonylContact C-O 3.56Å; F788-E797 WeakPolarHBondContact CA-O 3.31Å; F788-E797 WeakPolarHBondContact CD2-O 3.26Å; F788-Y798 HydrophobicContact CB-CD2 4.08Å; F788-Y798 HydrophobicContact CD2-CD2 4.15Å; F788-L820 HydrophobicContact CD2-CD2 4.29Å; F788-L820 HydrophobicContact CE2-CD2 3.97Å; F788-L823 HydrophobicContact CB-CD1 4.26Å; F788-L823 HydrophobicContact CD1-CB 3.67Å; F788-L823 HydrophobicContact CD2-CD1 4.4Å; F788-L823 HydrophobicContact CE1-CB 3.84Å; F788-L823 HydrophobicContact CG-CB 4.07Å; F788-L823 HydrophobicContact CG-CD1 4.16Å; F788-L823 HydrophobicContact CZ-CB 4.39Å; F788-L827 HydrophobicContact CE1-CD2 4.25Å
789	C	97.4	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.5	-175.8	-72.1	0	0	0	0	113.1	P334 C776 F791 L796 E797	P334-C789 VanDerWaalsContact CB-SG 3.57Å; C776-C789 HydrophobicContact CB-CB 3.98Å; C776-C789 WeakPolarHBondContact CB-SG 3.37Å; C776-C789 VanDerWaalsContact SG-CA 3.56Å; C776-C789 WeakPolarHBondContact SG-CB 3.03Å; C776-C789 CovalentContact SG-SG 2.03Å; C776-C789 PolarHBondContact SG-SG 3.32Å; C789-F791 HydrophobicContact CB-CE2 3.84Å; C789-F791 HydrophobicContact CB-CZ 4.5Å; C789-L796 WeakPolarHBondContact O-CA 3.37Å; C789-E797 HydrophobicContact CB-CB 4.22Å; C789-E797 PolarHBondContact N-O 3.09Å; C789-E797 PolarHBondContact O-N 3.16Å
790	E	95.9	Very high	93.8	Very high	23 Å²	23	41.5 Å²	41.5	11%	0.107	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.4	168.8	-59.3	-167.2	168.4	0	0	110.8	Y774 W775 F788 L796 H824 L827	Y774-E790 VanDerWaalsContact CA-O 3.25Å; Y774-E790 WeakPolarHBondContact CA-O 3.07Å; W775-E790 PolarHBondContact N-O 3.16Å; W775-E790 PolarHBondContact O-N 3Å; F788-E790 HydrophobicContact CE1-CG 3.8Å; F788-E790 HydrophobicContact CZ-CG 3.77Å; F788-E790 WeakPolarHBondContact CZ-OE1 3.25Å; E790-L796 HydrophobicContact CB-CD2 4.32Å; E790-L796 HydrophobicContact CG-CD2 3.71Å; E790-H824 VanDerWaalsContact CD-ND1 3.31Å; E790-H824 IonicContact OE1-CE1 2.72Å; E790-H824 IonicContact OE1-CG 3.68Å; E790-H824 IonicContact OE1-ND1 2.79Å; E790-H824 PolarHBondContact OE1-ND1 3.5Å; E790-H824 IonicContact OE2-CE1 3.39Å; E790-H824 IonicContact OE2-ND1 3.95Å; E790-H824 PolarHBondContact OE2-ND1 3.25Å; E790-H824 VanDerWaalsContact OE2-ND1 3.16Å; E790-L827 HydrophobicContact CB-CD2 3.82Å; E790-L827 HydrophobicContact CG-CD2 3.46Å; E790-L827 VanDerWaalsContact CG-CD2 3.46Å
791	F	93.6	Very high	93.9	Very high	7 Å²	7	40.9 Å²	40.9	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	151.4	175.7	-67.7	-98.8	0	0	0	110.5	H259 P334 Y774 C789 T793 G794 F795 E797	H259-F791 HydrophobicContact CB-CD1 3.69Å; H259-F791 HydrophobicContact CB-CD2 3.96Å; H259-F791 HydrophobicContact CB-CE1 3.46Å; H259-F791 VanDerWaalsContact CB-CE1 3.46Å; H259-F791 HydrophobicContact CB-CE2 3.76Å; H259-F791 HydrophobicContact CB-CG 3.95Å; H259-F791 HydrophobicContact CB-CZ 3.51Å; H259-F791 AromaticContact CD2-CE1 3.48Å; H259-F791 VanDerWaalsContact CD2-CE1 3.48Å; H259-F791 WeakPolarHBondContact CD2-CE1 3.15Å; H259-F791 AromaticContact CE1-CE1 3.94Å; H259-F791 AromaticContact CE1-CZ 3.85Å; H259-F791 AromaticContact CG-CD1 3.96Å; H259-F791 AromaticContact CG-CE1 3.26Å; H259-F791 AromaticContact CG-CZ 3.36Å; H259-F791 AromaticContact ND1-CE1 3.59Å; H259-F791 AromaticContact ND1-CZ 3.27Å; H259-F791 VanDerWaalsContact ND1-CZ 3.27Å; H259-F791 WeakPolarHBondContact ND1-CZ 3.38Å; H259-F791 AromaticContact NE2-CE1 3.91Å; P334-F791 HydrophobicContact CG-CZ 4.16Å; Y774-F791 HydrophobicContact CD1-CD1 4.13Å; Y774-F791 AromaticContact CD1-CE1 3.63Å; Y774-F791 HydrophobicContact CD1-CE1 3.63Å; Y774-F791 HydrophobicContact CD1-CZ 4.37Å; Y774-F791 HydrophobicContact CG-CD1 4.37Å; Y774-F791 HydrophobicContact CG-CE1 4.04Å; C789-F791 HydrophobicContact CB-CE2 3.84Å; C789-F791 HydrophobicContact CB-CZ 4.5Å; F791-T793 PolarHBondContact O-N 3.47Å; F791-G794 PolarHBondContact O-N 3.24Å; F791-F795 HydrophobicContact CB-CB 4.22Å; F791-F795 HydrophobicContact CD2-CB 4.49Å; F791-F795 HydrophobicContact CD2-CD1 4.37Å; F791-F795 PolarHBondContact N-O 3.31Å; F791-E797 HydrophobicContact CE2-CB 4.46Å; F791-E797 HydrophobicContact CE2-CG 3.9Å
792	S	89.6	Confident	94.1	Very high	54 Å²	54	42.9 Å²	42.9	38%	0.378	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-5.9	178.1	68.7	0	0	0	0	114.6	T773	T773-S792 PolarHBondContact O-N 3.44Å
793	T	87.1	Confident	94.5	Very high	67 Å²	67	37.6 Å²	37.6	41%	0.411	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.4	171.1	53.4	0	0	0	0	113.6	F791 F795	F791-T793 PolarHBondContact O-N 3.47Å; T793-F795 VanDerWaalsContact C-N 3.3Å; T793-F795 WeakPolarHBondContact OG1-CB 3.47Å; T793-F795 PolarHBondContact OG1-N 3.31Å
794	G	88.3	Confident	94.9	Very high	54 Å²	54	34 Å²	34	56%	0.557	20%	0.201	S	C	*	.	S	Bend	trans	81.5	5.9	-168.4	0	0	0	0	0	114	F791	F791-G794 PolarHBondContact O-N 3.24Å
795	F	92.8	Very high	95	Very high	23 Å²	23	32.8 Å²	32.8	10%	0.101	20%	0.202	C	C	.	.			trans	-73.6	145.1	172.3	-162.1	-94.7	0	0	0	110.7	D257 K258 H259 N433 F791 T793 E797	D257-F795 VanDerWaalsContact O-CZ 3.29Å; D257-F795 WeakPolarHBondContact O-CZ 3.02Å; K258-F795 WeakPolarHBondContact O-CZ 3.29Å; H259-F795 HydrophobicContact CB-CD1 4.14Å; N433-F795 VanDerWaalsContact OD1-CD2 3.28Å; N433-F795 WeakPolarHBondContact OD1-CD2 3.4Å; N433-F795 WeakPolarHBondContact OD1-CE2 3.37Å; F791-F795 HydrophobicContact CB-CB 4.22Å; F791-F795 HydrophobicContact CD2-CB 4.49Å; F791-F795 HydrophobicContact CD2-CD1 4.37Å; F791-F795 PolarHBondContact N-O 3.31Å; T793-F795 VanDerWaalsContact C-N 3.3Å; T793-F795 WeakPolarHBondContact OG1-CB 3.47Å; T793-F795 PolarHBondContact OG1-N 3.31Å; F795-E797 HydrophobicContact CD1-CG 4.07Å; F795-E797 HydrophobicContact CE1-CG 3.8Å
796	L	95.9	Very high	94.9	Very high	45 Å²	45	35.5 Å²	35.5	24%	0.236	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.2	-175.5	-56.8	177.9	0	0	0	109.7	F788 C789 E790 N810 V812	F788-L796 HydrophobicContact CZ-CD2 4.39Å; C789-L796 WeakPolarHBondContact O-CA 3.37Å; E790-L796 HydrophobicContact CB-CD2 4.32Å; E790-L796 HydrophobicContact CG-CD2 3.71Å; L796-N810 PolarHBondContact O-ND2 3.2Å; L796-V812 HydrophobicContact CB-CG2 3.93Å
797	E	97.1	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.8	170	-64.2	175.3	176.3	0	0	110.3	K258 H259 Y335 F788 C789 F791 F795 F799 N810	K258-E797 WeakPolarHBondContact CA-OE1 3.02Å; K258-E797 WeakPolarHBondContact CB-OE1 3.37Å; H259-E797 WeakPolarHBondContact CB-OE1 3.49Å; H259-E797 IonicContact CE1-OE1 3.11Å; H259-E797 IonicContact CG-OE1 2.64Å; H259-E797 PolarHBondContact N-OE1 3.12Å; H259-E797 IonicContact ND1-OE1 3.87Å; H259-E797 PolarHBondContact ND1-OE1 2.93Å; H259-E797 IonicContact ND1-OE2 3.71Å; Y335-E797 PolarHBondContact OH-OE1 3.28Å; Y335-E797 PolarHBondContact OH-OE2 3.04Å; F788-E797 CarbonylContact C-O 3.56Å; F788-E797 WeakPolarHBondContact CA-O 3.31Å; F788-E797 WeakPolarHBondContact CD2-O 3.26Å; C789-E797 HydrophobicContact CB-CB 4.22Å; C789-E797 PolarHBondContact N-O 3.09Å; C789-E797 PolarHBondContact O-N 3.16Å; F791-E797 HydrophobicContact CE2-CB 4.46Å; F791-E797 HydrophobicContact CE2-CG 3.9Å; F795-E797 HydrophobicContact CD1-CG 4.07Å; F795-E797 HydrophobicContact CE1-CG 3.8Å; E797-F799 HydrophobicContact CB-CE2 3.68Å; E797-F799 HydrophobicContact CB-CZ 4.03Å; E797-F799 HydrophobicContact CG-CE2 4.37Å; E797-F799 HydrophobicContact CG-CZ 4.35Å; E797-N810 WeakPolarHBondContact CA-OD1 3.46Å
798	Y	97.7	Very high	94.8	Very high	27 Å²	27	37 Å²	37	11%	0.106	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.1	170.6	-178.3	-80.6	0	0	0	110	T786 L787 F788 D800 N810 A811 V815 L823	T786-Y798 WeakPolarHBondContact CG2-OH 3.45Å; L787-Y798 CarbonylContact O-C 3.55Å; L787-Y798 WeakPolarHBondContact O-CA 3.38Å; F788-Y798 HydrophobicContact CB-CD2 4.08Å; F788-Y798 HydrophobicContact CD2-CD2 4.15Å; Y798-D800 HydrophobicContact CE1-CB 4.43Å; Y798-N810 PolarHBondContact N-OD1 3.37Å; Y798-N810 PolarHBondContact O-OD1 2.85Å; Y798-A811 HydrophobicContact CD1-CB 4.28Å; Y798-A811 PolarHBondContact O-N 3.26Å; Y798-V815 HydrophobicContact CD1-CG2 3.45Å; Y798-V815 VanDerWaalsContact CD1-CG2 3.45Å; Y798-V815 HydrophobicContact CD2-CG2 4.17Å; Y798-V815 HydrophobicContact CE1-CG2 3.54Å; Y798-V815 HydrophobicContact CE2-CG2 4.24Å; Y798-V815 HydrophobicContact CG-CG2 3.78Å; Y798-L823 HydrophobicContact CD2-CD1 4.02Å; Y798-L823 HydrophobicContact CE2-CD1 3.73Å
799	F	97.6	Very high	94.6	Very high	1 Å²	1	41 Å²	41	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.5	175.4	-49.8	-80.1	0	0	0	110	Y335 T786 L787 E797 L801 Q807 T809 N810	Y335-F799 HydrophobicContact CD1-CE2 4.31Å; Y335-F799 AromaticContact CE1-CE2 3.77Å; Y335-F799 HydrophobicContact CE1-CE2 3.77Å; Y335-F799 AromaticContact CE1-CZ 3.94Å; Y335-F799 HydrophobicContact CE1-CZ 3.94Å; T786-F799 CarbonylContact C-O 3.53Å; T786-F799 VanDerWaalsContact CA-O 3.28Å; T786-F799 WeakPolarHBondContact CA-O 3.31Å; L787-F799 HydrophobicContact CB-CD2 4.4Å; L787-F799 HydrophobicContact CD2-CD2 4.17Å; L787-F799 HydrophobicContact CG-CD2 4.32Å; L787-F799 PolarHBondContact N-O 3.1Å; L787-F799 PolarHBondContact O-N 3.07Å; E797-F799 HydrophobicContact CB-CE2 3.68Å; E797-F799 HydrophobicContact CB-CZ 4.03Å; E797-F799 HydrophobicContact CG-CE2 4.37Å; E797-F799 HydrophobicContact CG-CZ 4.35Å; F799-L801 HydrophobicContact CB-CD1 4.27Å; F799-Q807 HydrophobicContact CB-CB 4.45Å; F799-Q807 HydrophobicContact CB-CG 4.24Å; F799-Q807 HydrophobicContact CD1-CB 3.74Å; F799-Q807 HydrophobicContact CD1-CG 4.44Å; F799-Q807 HydrophobicContact CD2-CB 4.13Å; F799-Q807 HydrophobicContact CD2-CG 4.24Å; F799-Q807 HydrophobicContact CE1-CB 3.95Å; F799-Q807 VanDerWaalsContact CE1-O 3.24Å; F799-Q807 WeakPolarHBondContact CE1-O 3.24Å; F799-Q807 HydrophobicContact CE2-CB 4.32Å; F799-Q807 HydrophobicContact CG-CB 3.84Å; F799-Q807 HydrophobicContact CG-CG 4.05Å; F799-Q807 HydrophobicContact CZ-CB 4.23Å; F799-T809 WeakPolarHBondContact CD1-O 3Å; F799-N810 HydrophobicContact CE1-CB 4.15Å; F799-N810 HydrophobicContact CZ-CB 4.39Å
800	D	96.6	Very high	94.6	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108.6	165.2	167	40.3	0	0	0	108.7	T786 Y798 N802 S803 D804	T786-D800 HydrophobicContact CG2-CB 4.26Å; Y798-D800 HydrophobicContact CE1-CB 4.43Å; D800-N802 PolarHBondContact O-N 3.28Å; D800-N802 WeakPolarHBondContact OD1-CB 3.15Å; D800-N802 PolarHBondContact OD1-N 3.11Å; D800-S803 PolarHBondContact O-N 2.85Å; D800-S803 VanDerWaalsContact O-N 3.12Å; D800-S803 PolarHBondContact O-OG 2.99Å; D800-S803 VanDerWaalsContact O-OG 3.1Å; D800-S803 PolarHBondContact OD2-OG 3.05Å; D800-D804 PolarHBondContact O-N 2.86Å
801	L	95.9	Very high	94.5	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.7	-173.8	-66.2	83.6	0	0	0	113	D336 N785 L787 F799 S803 Q807	D336-L801 HydrophobicContact CB-CD2 4.46Å; D336-L801 WeakPolarHBondContact OD2-CD2 3.37Å; N785-L801 WeakPolarHBondContact O-CB 3.49Å; N785-L801 VanDerWaalsContact O-CD1 3.3Å; N785-L801 WeakPolarHBondContact O-CD1 3.43Å; N785-L801 PolarHBondContact O-N 3.26Å; L787-L801 HydrophobicContact CB-CD1 3.97Å; F799-L801 HydrophobicContact CB-CD1 4.27Å; L801-S803 VanDerWaalsContact C-N 3.27Å; L801-Q807 HydrophobicContact CD2-CG 4.46Å; L801-Q807 HydrophobicContact CG-CG 4.45Å
802	N	95.2	Very high	94.5	Very high	101 Å²	101	42.1 Å²	42.1	54%	0.54	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.6	165.4	-69.9	-24	0	0	0	112.2	N785 D800	N785-N802 VanDerWaalsContact CB-CG 3.48Å; N785-N802 WeakPolarHBondContact CB-OD1 3.29Å; N785-N802 PolarHBondContact ND2-OD1 2.03Å; D800-N802 PolarHBondContact O-N 3.28Å; D800-N802 WeakPolarHBondContact OD1-CB 3.15Å; D800-N802 PolarHBondContact OD1-N 3.11Å
803	S	95.4	Very high	94.5	Very high	93 Å²	93	44.8 Å²	44.8	65%	0.65	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-31.8	178.2	54	0	0	0	0	113.5	D800 L801	D800-S803 PolarHBondContact O-N 2.85Å; D800-S803 VanDerWaalsContact O-N 3.12Å; D800-S803 PolarHBondContact O-OG 2.99Å; D800-S803 VanDerWaalsContact O-OG 3.1Å; D800-S803 PolarHBondContact OD2-OG 3.05Å; L801-S803 VanDerWaalsContact C-N 3.27Å
804	D	95.9	Very high	94.7	Very high	25 Å²	25	46 Å²	46	13%	0.134	27%	0.274	C	S	.	.			trans	-128.2	73.4	177.4	-175	5.3	0	0	0	111.5	D800 Y806 Q807 L808 T809	D800-D804 PolarHBondContact O-N 2.86Å; D804-Y806 PolarHBondContact O-N 3.43Å; D804-Y806 VanDerWaalsContact O-N 3.09Å; D804-Q807 PolarHBondContact O-N 2.8Å; D804-Q807 VanDerWaalsContact O-N 3.13Å; D804-Q807 PolarHBondContact OD1-N 2.79Å; D804-Q807 VanDerWaalsContact OD1-N 3.08Å; D804-Q807 VanDerWaalsContact OD2-C 3.3Å; D804-L808 PolarHBondContact OD1-N 3.15Å; D804-L808 PolarHBondContact OD2-N 3.28Å; D804-T809 PolarHBondContact OD2-N 3.03Å
805	P	94.8	Very high	94.9	Very high	70 Å²	70	44.8 Å²	44.8	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	-176.5	25.1	-34.8	0	0	0	114	Q807	P805-Q807 PolarHBondContact O-NE2 2.85Å
806	Y	94.9	Very high	95	Very high	89 Å²	89	48.8 Å²	48.8	35%	0.349	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.8	179.7	-60.5	-70.3	0	0	0	113.6	T247 P248 F325 D804 L808	T247-Y806 HydrophobicContact CG2-CD1 4.45Å; T247-Y806 HydrophobicContact CG2-CE1 4.08Å; P248-Y806 HydrophobicContact CB-CD2 3.9Å; P248-Y806 HydrophobicContact CB-CE2 4.31Å; P248-Y806 HydrophobicContact CB-CG 4.26Å; P248-Y806 HydrophobicContact CG-CD2 3.65Å; P248-Y806 HydrophobicContact CG-CE2 3.53Å; P248-Y806 HydrophobicContact CG-CG 4.27Å; F325-Y806 WeakPolarHBondContact CZ-O 3.37Å; D804-Y806 PolarHBondContact O-N 3.43Å; D804-Y806 VanDerWaalsContact O-N 3.09Å; Y806-L808 PolarHBondContact O-N 2.03Å
807	Q	96.3	Very high	94.8	Very high	4 Å²	4	56 Å²	56	2%	0.019	30%	0.303	C	S	.	.			trans	52.8	33.2	179.3	-48.1	92.7	36	0	0	114.5	K258 F325 Y335 F799 L801 D804 P805 T809	K258-Q807 PolarHBondContact NZ-O 3.47Å; F325-Q807 HydrophobicContact CZ-CB 4.35Å; F325-Q807 WeakPolarHBondContact CZ-O 2.97Å; Y335-Q807 HydrophobicContact CD1-CB 4.09Å; Y335-Q807 HydrophobicContact CD1-CG 4.27Å; F799-Q807 HydrophobicContact CB-CB 4.45Å; F799-Q807 HydrophobicContact CB-CG 4.24Å; F799-Q807 HydrophobicContact CD1-CB 3.74Å; F799-Q807 HydrophobicContact CD1-CG 4.44Å; F799-Q807 HydrophobicContact CD2-CB 4.13Å; F799-Q807 HydrophobicContact CD2-CG 4.24Å; F799-Q807 HydrophobicContact CE1-CB 3.95Å; F799-Q807 VanDerWaalsContact CE1-O 3.24Å; F799-Q807 WeakPolarHBondContact CE1-O 3.24Å; F799-Q807 HydrophobicContact CE2-CB 4.32Å; F799-Q807 HydrophobicContact CG-CB 3.84Å; F799-Q807 HydrophobicContact CG-CG 4.05Å; F799-Q807 HydrophobicContact CZ-CB 4.23Å; L801-Q807 HydrophobicContact CD2-CG 4.46Å; L801-Q807 HydrophobicContact CG-CG 4.45Å; D804-Q807 PolarHBondContact O-N 2.8Å; D804-Q807 VanDerWaalsContact O-N 3.13Å; D804-Q807 PolarHBondContact OD1-N 2.79Å; D804-Q807 VanDerWaalsContact OD1-N 3.08Å; D804-Q807 VanDerWaalsContact OD2-C 3.3Å; P805-Q807 PolarHBondContact O-NE2 2.85Å; Q807-T809 PolarHBondContact O-N 3.4Å
808	L	95.3	Very high	94.6	Very high	34 Å²	34	61.5 Å²	61.5	18%	0.178	33%	0.332	C	S	.	.			trans	-63.8	-33.2	-175.7	-57.4	-176.5	0	0	0	113.9	P248 Y252 K258 F325 D804 Y806	P248-L808 HydrophobicContact CB-CD1 4.25Å; Y252-L808 HydrophobicContact CD1-CD2 4.42Å; Y252-L808 HydrophobicContact CD2-CD2 4.41Å; Y252-L808 WeakPolarHBondContact CE1-O 3.31Å; Y252-L808 HydrophobicContact CG-CD2 4.25Å; K258-L808 PolarHBondContact NZ-O 2.86Å; F325-L808 HydrophobicContact CE1-CD2 4.21Å; D804-L808 PolarHBondContact OD1-N 3.15Å; D804-L808 PolarHBondContact OD2-N 3.28Å; Y806-L808 PolarHBondContact O-N 2.03Å
809	T	93.8	Very high	94.4	Very high	85 Å²	85	63.4 Å²	63.4	52%	0.521	35%	0.346	S	S	.	.	S	Bend	trans	-130.4	119.4	-173.9	-53.4	0	0	0	0	112	F799 D804 Q807 A811	F799-T809 WeakPolarHBondContact CD1-O 3Å; D804-T809 PolarHBondContact OD2-N 3.03Å; Q807-T809 PolarHBondContact O-N 3.4Å; T809-A811 PolarHBondContact O-N 2.89Å; T809-A811 VanDerWaalsContact O-N 3.12Å
810	N	96	Very high	94.2	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.053	35%	0.353	C	S	.	.			trans	-69.8	107.7	173.8	-179.5	5.8	0	0	0	111	D257 L796 E797 Y798 F799 V812	D257-N810 HydrophobicContact CB-CB 4.09Å; D257-N810 WeakPolarHBondContact O-CB 3.26Å; D257-N810 PolarHBondContact O-ND2 2.76Å; D257-N810 WeakPolarHBondContact OD2-CB 3.39Å; D257-N810 PolarHBondContact OD2-N 3.15Å; L796-N810 PolarHBondContact O-ND2 3.2Å; E797-N810 WeakPolarHBondContact CA-OD1 3.46Å; Y798-N810 PolarHBondContact N-OD1 3.37Å; Y798-N810 PolarHBondContact O-OD1 2.85Å; F799-N810 HydrophobicContact CE1-CB 4.15Å; F799-N810 HydrophobicContact CZ-CB 4.39Å; N810-V812 VanDerWaalsContact C-N 3.33Å; N810-V812 PolarHBondContact O-N 3.25Å; N810-V812 VanDerWaalsContact OD1-CB 3.27Å; N810-V812 WeakPolarHBondContact OD1-CB 2.99Å; N810-V812 VanDerWaalsContact OD1-CG1 3.31Å; N810-V812 WeakPolarHBondContact OD1-CG1 3.47Å; N810-V812 PolarHBondContact OD1-N 3.41Å; N810-V812 VanDerWaalsContact OD1-N 3.14Å
811	A	94.6	Very high	94.1	Very high	37 Å²	37	67 Å²	67	31%	0.306	37%	0.365	S	S	.	.			trans	-86.7	5.7	-175.9	0	0	0	0	0	114	Y798 T809 Y813 A814 V815	Y798-A811 HydrophobicContact CD1-CB 4.28Å; Y798-A811 PolarHBondContact O-N 3.26Å; T809-A811 PolarHBondContact O-N 2.89Å; T809-A811 VanDerWaalsContact O-N 3.12Å; A811-Y813 PolarHBondContact O-N 3.14Å; A811-A814 PolarHBondContact O-N 3.21Å; A811-V815 PolarHBondContact O-N 3.45Å
812	V	93.9	Very high	94.1	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.042	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.6	-172.8	72.3	0	0	0	0	115	L796 N810 L820	L796-V812 HydrophobicContact CB-CG2 3.93Å; N810-V812 VanDerWaalsContact C-N 3.33Å; N810-V812 PolarHBondContact O-N 3.25Å; N810-V812 VanDerWaalsContact OD1-CB 3.27Å; N810-V812 WeakPolarHBondContact OD1-CB 2.99Å; N810-V812 VanDerWaalsContact OD1-CG1 3.31Å; N810-V812 WeakPolarHBondContact OD1-CG1 3.47Å; N810-V812 PolarHBondContact OD1-N 3.41Å; N810-V812 VanDerWaalsContact OD1-N 3.14Å; V812-L820 HydrophobicContact CG2-CD1 4.05Å; V812-L820 HydrophobicContact CG2-CD2 3.9Å
813	Y	89.4	Confident	94	Very high	109 Å²	109	65.2 Å²	65.2	43%	0.427	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.1	178.5	-57.4	-84.7	0	0	0	114.3	N433 A811	N433-Y813 HydrophobicContact CB-CE1 3.91Å; N433-Y813 VanDerWaalsContact CB-OH 3.3Å; N433-Y813 WeakPolarHBondContact CB-OH 3.47Å; A811-Y813 PolarHBondContact O-N 3.14Å
814	A	91.4	Very high	94	Very high	93 Å²	93	64.6 Å²	64.6	77%	0.769	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-13.5	177	0	0	0	0	0	112.7	A811	A811-A814 PolarHBondContact O-N 3.21Å
815	V	92.9	Very high	93.9	Very high	28 Å²	28	66.1 Å²	66.1	17%	0.17	36%	0.363	C	S	.	.	S	Bend	trans	-79.7	139.2	174.3	-176	0	0	0	0	109.8	Y798 A811 V819 L820	Y798-V815 HydrophobicContact CD1-CG2 3.45Å; Y798-V815 VanDerWaalsContact CD1-CG2 3.45Å; Y798-V815 HydrophobicContact CD2-CG2 4.17Å; Y798-V815 HydrophobicContact CE1-CG2 3.54Å; Y798-V815 HydrophobicContact CE2-CG2 4.24Å; Y798-V815 HydrophobicContact CG-CG2 3.78Å; A811-V815 PolarHBondContact O-N 3.45Å; V815-V819 HydrophobicContact CG1-CB 3.87Å; V815-V819 HydrophobicContact CG1-CG1 3.76Å; V815-L820 HydrophobicContact CB-CD2 4.05Å; V815-L820 HydrophobicContact CB-CG 4.18Å; V815-L820 HydrophobicContact CG1-CD2 3.86Å; V815-L820 HydrophobicContact CG1-CG 3.91Å
816	D	94	Very high	93.9	Very high	107 Å²	107	63.9 Å²	63.9	57%	0.572	35%	0.347	S	S	*	.			trans	-64.6	144.7	177	-164.7	0.4	0	0	0	111.8	D818 V819 L820	D816-D818 VanDerWaalsContact C-N 3.26Å; D816-D818 PolarHBondContact O-N 2.8Å; D816-V819 HydrophobicContact CB-CG2 4.31Å; D816-V819 WeakPolarHBondContact O-CB 3.29Å; D816-V819 PolarHBondContact O-N 3.26Å; D816-V819 VanDerWaalsContact O-N 3.15Å; D816-L820 PolarHBondContact O-N 3.19Å
817	R	92.1	Very high	93.9	Very high	197 Å²	197	59.6 Å²	59.6	74%	0.743	33%	0.33	S	S	*	.	H	α-helix	trans	-61.1	-35.7	-176.7	-66.5	-178	-180	175	2.1	112	V819 L820 N821	R817-V819 VanDerWaalsContact C-N 3.34Å; R817-L820 PolarHBondContact O-N 2.03Å; R817-N821 WeakPolarHBondContact O-CB 3.25Å; R817-N821 PolarHBondContact O-N 2.81Å; R817-N821 PolarHBondContact O-ND2 2.9Å; R817-N821 VanDerWaalsContact O-ND2 3.11Å
818	D	93.3	Very high	93.7	Very high	115 Å²	115	63.6 Å²	63.6	62%	0.615	35%	0.349	S	S	*	.	H	α-helix	trans	-73.3	-29.3	-179.8	-70.7	-19.3	0	0	0	112.4	D816 N821 S822	D816-D818 VanDerWaalsContact C-N 3.26Å; D816-D818 PolarHBondContact O-N 2.8Å; D818-N821 PolarHBondContact OD1-ND2 2.74Å; D818-S822 WeakPolarHBondContact O-CB 3.32Å; D818-S822 PolarHBondContact O-N 2.86Å
819	V	93.8	Very high	93.6	Very high	67 Å²	67	67.1 Å²	67.1	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-45.7	168.1	178	0	0	0	0	110.3	V815 D816 R817 N821 S822 L823	V815-V819 HydrophobicContact CG1-CB 3.87Å; V815-V819 HydrophobicContact CG1-CG1 3.76Å; D816-V819 HydrophobicContact CB-CG2 4.31Å; D816-V819 WeakPolarHBondContact O-CB 3.29Å; D816-V819 PolarHBondContact O-N 3.26Å; D816-V819 VanDerWaalsContact O-N 3.15Å; R817-V819 VanDerWaalsContact C-N 3.34Å; V819-N821 PolarHBondContact O-N 3.5Å; V819-S822 PolarHBondContact O-N 3.32Å; V819-L823 HydrophobicContact CG1-CD1 3.99Å; V819-L823 VanDerWaalsContact O-CG 3.3Å; V819-L823 WeakPolarHBondContact O-CG 3.45Å; V819-L823 PolarHBondContact O-N 3.18Å
820	L	93.8	Very high	93.6	Very high	27 Å²	27	63.1 Å²	63.1	14%	0.141	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-40.1	175.3	-64	174.6	0	0	0	112.4	F788 V812 V815 D816 R817 L823 H824	F788-L820 HydrophobicContact CD2-CD2 4.29Å; F788-L820 HydrophobicContact CE2-CD2 3.97Å; V812-L820 HydrophobicContact CG2-CD1 4.05Å; V812-L820 HydrophobicContact CG2-CD2 3.9Å; V815-L820 HydrophobicContact CB-CD2 4.05Å; V815-L820 HydrophobicContact CB-CG 4.18Å; V815-L820 HydrophobicContact CG1-CD2 3.86Å; V815-L820 HydrophobicContact CG1-CG 3.91Å; D816-L820 PolarHBondContact O-N 3.19Å; R817-L820 PolarHBondContact O-N 2.03Å; L820-L823 PolarHBondContact O-N 3.13Å; L820-H824 WeakPolarHBondContact O-CB 3.48Å; L820-H824 PolarHBondContact O-N 2.85Å
821	N	93.9	Very high	93.5	Very high	96 Å²	96	65.4 Å²	65.4	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-42.1	175.4	-70.7	-31.6	0	0	0	111.4	R817 D818 V819 H824 A825	R817-N821 WeakPolarHBondContact O-CB 3.25Å; R817-N821 PolarHBondContact O-N 2.81Å; R817-N821 PolarHBondContact O-ND2 2.9Å; R817-N821 VanDerWaalsContact O-ND2 3.11Å; D818-N821 PolarHBondContact OD1-ND2 2.74Å; V819-N821 PolarHBondContact O-N 3.5Å; N821-H824 PolarHBondContact O-N 3.12Å; N821-A825 WeakPolarHBondContact O-CB 3.31Å; N821-A825 PolarHBondContact O-N 2.77Å
822	S	94.5	Very high	93.4	Very high	57 Å²	57	67.4 Å²	67.4	40%	0.399	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-41.4	174.5	174.3	0	0	0	0	112.2	D818 V819 A825 Q826	D818-S822 WeakPolarHBondContact O-CB 3.32Å; D818-S822 PolarHBondContact O-N 2.86Å; V819-S822 PolarHBondContact O-N 3.32Å; S822-A825 PolarHBondContact O-N 3.25Å; S822-Q826 WeakPolarHBondContact O-CB 3.28Å; S822-Q826 PolarHBondContact O-N 3.49Å
823	L	94.9	Very high	93.4	Very high	19 Å²	19	67.2 Å²	67.2	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-66.2	-41.9	176.3	-70.5	166.2	0	0	0	111.9	L777 F788 Y798 V819 L820 Q826 L827	L777-L823 HydrophobicContact CD1-CD2 4.13Å; L777-L823 WeakPolarHBondContact CD1-O 3.31Å; F788-L823 HydrophobicContact CB-CD1 4.26Å; F788-L823 HydrophobicContact CD1-CB 3.67Å; F788-L823 HydrophobicContact CD2-CD1 4.4Å; F788-L823 HydrophobicContact CE1-CB 3.84Å; F788-L823 HydrophobicContact CG-CB 4.07Å; F788-L823 HydrophobicContact CG-CD1 4.16Å; F788-L823 HydrophobicContact CZ-CB 4.39Å; Y798-L823 HydrophobicContact CD2-CD1 4.02Å; Y798-L823 HydrophobicContact CE2-CD1 3.73Å; V819-L823 HydrophobicContact CG1-CD1 3.99Å; V819-L823 VanDerWaalsContact O-CG 3.3Å; V819-L823 WeakPolarHBondContact O-CG 3.45Å; V819-L823 PolarHBondContact O-N 3.18Å; L820-L823 PolarHBondContact O-N 3.13Å; L823-Q826 PolarHBondContact O-N 3.02Å; L823-L827 VanDerWaalsContact O-CB 3.28Å; L823-L827 WeakPolarHBondContact O-CB 3.42Å; L823-L827 PolarHBondContact O-N 2.84Å
824	H	95.1	Very high	93.6	Very high	80 Å²	80	68.3 Å²	68.3	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-48.6	171.9	177.3	72.7	0	0	0	111.5	E790 L820 N821 Q826 L827 M828	E790-H824 VanDerWaalsContact CD-ND1 3.31Å; E790-H824 IonicContact OE1-CE1 2.72Å; E790-H824 IonicContact OE1-CG 3.68Å; E790-H824 IonicContact OE1-ND1 2.79Å; E790-H824 PolarHBondContact OE1-ND1 3.5Å; E790-H824 IonicContact OE2-CE1 3.39Å; E790-H824 IonicContact OE2-ND1 3.95Å; E790-H824 PolarHBondContact OE2-ND1 3.25Å; E790-H824 VanDerWaalsContact OE2-ND1 3.16Å; L820-H824 WeakPolarHBondContact O-CB 3.48Å; L820-H824 PolarHBondContact O-N 2.85Å; N821-H824 PolarHBondContact O-N 3.12Å; H824-Q826 PolarHBondContact O-N 3.16Å; H824-L827 WeakPolarHBondContact O-CB 3.46Å; H824-L827 PolarHBondContact O-N 3.25Å; H824-M828 WeakPolarHBondContact O-CG 3.45Å; H824-M828 PolarHBondContact O-N 3.47Å
825	A	94.3	Very high	93.7	Very high	58 Å²	58	64.1 Å²	64.1	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-45.5	179.4	0	0	0	0	0	112.2	N821 S822 L827 M828 E829	N821-A825 WeakPolarHBondContact O-CB 3.31Å; N821-A825 PolarHBondContact O-N 2.77Å; S822-A825 PolarHBondContact O-N 3.25Å; A825-L827 VanDerWaalsContact C-N 3.34Å; A825-L827 PolarHBondContact O-N 3.34Å; A825-M828 PolarHBondContact O-N 2.8Å; A825-E829 PolarHBondContact O-N 3Å
826	Q	94.2	Very high	93.6	Very high	22 Å²	22	66.9 Å²	66.9	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-33.2	176.7	-177.6	171.1	-19.9	0	0	112.5	T411 L777 S822 L823 H824 M830 K844	T411-Q826 PolarHBondContact OG1-NE2 2.86Å; L777-Q826 HydrophobicContact CD1-CB 3.84Å; L777-Q826 HydrophobicContact CD1-CG 3.74Å; S822-Q826 WeakPolarHBondContact O-CB 3.28Å; S822-Q826 PolarHBondContact O-N 3.49Å; L823-Q826 PolarHBondContact O-N 3.02Å; H824-Q826 PolarHBondContact O-N 3.16Å; Q826-M830 WeakPolarHBondContact O-CB 3.17Å; Q826-M830 VanDerWaalsContact O-CG 3.31Å; Q826-M830 WeakPolarHBondContact O-CG 3.37Å; Q826-M830 PolarHBondContact O-N 2.77Å; Q826-K844 VanDerWaalsContact OE1-NZ 3.12Å
827	L	94.7	Very high	93.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-43.3	173.4	-176.3	68.9	0	0	0	111	L413 W775 L777 F788 E790 L823 H824 A825 M830 R831	L413-L827 HydrophobicContact CD1-CD1 3.65Å; W775-L827 HydrophobicContact CB-CD1 3.94Å; W775-L827 HydrophobicContact CB-CD2 4.22Å; W775-L827 HydrophobicContact CB-CG 4.32Å; L777-L827 HydrophobicContact CD1-CB 4.21Å; L777-L827 HydrophobicContact CD2-CB 4.32Å; L777-L827 HydrophobicContact CD2-CD1 3.87Å; L777-L827 HydrophobicContact CG-CB 3.99Å; L777-L827 HydrophobicContact CG-CD1 3.84Å; F788-L827 HydrophobicContact CE1-CD2 4.25Å; E790-L827 HydrophobicContact CB-CD2 3.82Å; E790-L827 HydrophobicContact CG-CD2 3.46Å; E790-L827 VanDerWaalsContact CG-CD2 3.46Å; L823-L827 VanDerWaalsContact O-CB 3.28Å; L823-L827 WeakPolarHBondContact O-CB 3.42Å; L823-L827 PolarHBondContact O-N 2.84Å; H824-L827 WeakPolarHBondContact O-CB 3.46Å; H824-L827 PolarHBondContact O-N 3.25Å; A825-L827 VanDerWaalsContact C-N 3.34Å; A825-L827 PolarHBondContact O-N 3.34Å; L827-M830 PolarHBondContact O-N 2.82Å; L827-R831 HydrophobicContact CD1-CG 4.47Å; L827-R831 HydrophobicContact CG-CG 4.39Å; L827-R831 WeakPolarHBondContact O-CB 3.33Å; L827-R831 WeakPolarHBondContact O-CD 3.18Å; L827-R831 WeakPolarHBondContact O-CG 3.45Å; L827-R831 PolarHBondContact O-N 2.82Å
828	M	93	Very high	93.1	Very high	87 Å²	87	65.7 Å²	65.7	43%	0.429	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-37	177.4	-70.5	-62	-67.2	0	0	112.5	H824 A825 R831 S832	H824-M828 WeakPolarHBondContact O-CG 3.45Å; H824-M828 PolarHBondContact O-N 3.47Å; A825-M828 PolarHBondContact O-N 2.8Å; M828-R831 PolarHBondContact SD-NH1 3.27Å; M828-S832 PolarHBondContact O-OG 2.93Å
829	E	92.8	Very high	93.1	Very high	108 Å²	108	60.3 Å²	60.3	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-57.2	169.2	-177.3	179.1	-167.8	0	0	110.6	A825 R831 S832 C833	A825-E829 PolarHBondContact O-N 3Å; E829-R831 VanDerWaalsContact C-N 3.29Å; E829-R831 PolarHBondContact O-N 3.41Å; E829-S832 PolarHBondContact O-N 3.27Å; E829-S832 PolarHBondContact O-OG 3.18Å; E829-C833 PolarHBondContact O-N 2.97Å
830	M	94.1	Very high	92.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-32.4	-178.3	-73.7	-64.8	-64.7	0	0	114	H102 L413 L777 Q826 L827 S832 C833 P841	H102-M830 PolarHBondContact CE1-O 3.02Å; L413-M830 HydrophobicContact CB-CB 4.25Å; L413-M830 HydrophobicContact CB-CE 4.04Å; L777-M830 HydrophobicContact CD2-CB 4.27Å; L777-M830 HydrophobicContact CD2-CG 4.04Å; Q826-M830 WeakPolarHBondContact O-CB 3.17Å; Q826-M830 VanDerWaalsContact O-CG 3.31Å; Q826-M830 WeakPolarHBondContact O-CG 3.37Å; Q826-M830 PolarHBondContact O-N 2.77Å; L827-M830 PolarHBondContact O-N 2.82Å; M830-S832 PolarHBondContact O-N 2.95Å; M830-C833 PolarHBondContact O-SG 3.33Å; M830-P841 VanDerWaalsContact SD-CD 3.51Å; M830-P841 HydrophobicContact SD-CG 3.84Å
831	R	92.3	Very high	91.8	Very high	58 Å²	58	57.4 Å²	57.4	22%	0.219	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.9	175.5	-74.6	168.2	68.2	-177.3	5.1	114.4	L413 W775 L827 M828 E829	L413-R831 HydrophobicContact CD1-CG 4.04Å; L413-R831 HydrophobicContact CD2-CG 4.47Å; W775-R831 HydrophobicContact CB-CG 3.98Å; W775-R831 VanDerWaalsContact CD2-CZ 3.4Å; W775-R831 VanDerWaalsContact CD2-NE 3.34Å; W775-R831 VanDerWaalsContact CE3-CZ 3.43Å; W775-R831 VanDerWaalsContact CE3-NH2 3.26Å; W775-R831 HydrophobicContact CG-CG 3.84Å; W775-R831 VanDerWaalsContact CH2-NH2 3.29Å; L827-R831 HydrophobicContact CD1-CG 4.47Å; L827-R831 HydrophobicContact CG-CG 4.39Å; L827-R831 WeakPolarHBondContact O-CB 3.33Å; L827-R831 WeakPolarHBondContact O-CD 3.18Å; L827-R831 WeakPolarHBondContact O-CG 3.45Å; L827-R831 PolarHBondContact O-N 2.82Å; M828-R831 PolarHBondContact SD-NH1 3.27Å; E829-R831 VanDerWaalsContact C-N 3.29Å; E829-R831 PolarHBondContact O-N 3.41Å
832	S	92.3	Very high	90.8	Very high	80 Å²	80	62.3 Å²	62.3	56%	0.559	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	1.7	-177.8	69.7	0	0	0	0	113.6	M828 E829 M830	M828-S832 PolarHBondContact O-OG 2.93Å; E829-S832 PolarHBondContact O-N 3.27Å; E829-S832 PolarHBondContact O-OG 3.18Å; M830-S832 PolarHBondContact O-N 2.95Å
833	C	94.4	Very high	89.5	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.02	30%	0.299	C	S	.	.			trans	-70.5	144.9	-170.5	78.5	0	0	0	0	112	H102 N103 E829 M830 Q838 C839	H102-C833 PolarHBondContact NE2-O 2.74Å; H102-C833 VanDerWaalsContact NE2-O 3.13Å; N103-C833 PolarHBondContact ND2-O 3.13Å; E829-C833 PolarHBondContact O-N 2.97Å; M830-C833 PolarHBondContact O-SG 3.33Å; C833-Q838 HydrophobicContact CB-CB 3.9Å; C833-C839 HydrophobicContact CB-CB 3.93Å; C833-C839 WeakPolarHBondContact CB-SG 3.42Å; C833-C839 PolarHBondContact O-SG 3.11Å; C833-C839 VanDerWaalsContact O-SG 3.35Å; C833-C839 WeakPolarHBondContact SG-CA 3.25Å; C833-C839 WeakPolarHBondContact SG-CB 3.42Å; C833-C839 CovalentContact SG-SG 2.04Å; C833-C839 PolarHBondContact SG-SG 3.17Å
834	Q	94.4	Very high	87.8	Confident	131 Å²	131	67.8 Å²	67.8	61%	0.612	33%	0.325	S	S	*	.			trans	-136.8	126.2	173.7	-60.8	-162	-25.5	0	0	111.7	N103 Q838	N103-Q834 PolarHBondContact OD1-NE2 2.88Å; Q834-Q838 PolarHBondContact O-OE1 3.29Å
835	G	93.4	Very high	85.6	Confident	5 Å²	5	67.3 Å²	67.3	5%	0.052	34%	0.342	C	S	.	.	S	Bend	trans	74	158.7	-177.4	0	0	0	0	0	113.1	P379 M381 D382 K837 Q838 C839	P379-G835 WeakPolarHBondContact O-CA 3.26Å; M381-G835 CarbonylContact O-C 3.5Å; M381-G835 WeakPolarHBondContact O-CA 3.48Å; D382-G835 WeakPolarHBondContact OD1-CA 3.47Å; D382-G835 PolarHBondContact OD1-N 3.27Å; G835-K837 PolarHBondContact O-N 2.7Å; G835-Q838 PolarHBondContact O-N 2.68Å; G835-C839 PolarHBondContact O-N 2.84Å
836	Y	89.5	Confident	83	Confident	86 Å²	86	67.2 Å²	67.2	34%	0.337	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.1	-172.7	74.5	-95	0	0	0	114.6	M381 D382 G383 N840	M381-Y836 PolarHBondContact O-N 2.85Å; D382-Y836 WeakPolarHBondContact O-CA 3.47Å; G383-Y836 WeakPolarHBondContact O-CB 3.5Å; Y836-N840 VanDerWaalsContact CA-ND2 3.34Å; Y836-N840 WeakPolarHBondContact CA-ND2 3.41Å; Y836-N840 WeakPolarHBondContact O-CB 3.48Å; Y836-N840 PolarHBondContact O-ND2 2.79Å
837	K	86.8	Confident	80.2	Confident	170 Å²	170	73.4 Å²	73.4	74%	0.739	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.8	178.2	-66.5	-174.4	179.3	-179.8	0	113.3	G835	G835-K837 PolarHBondContact O-N 2.7Å
838	Q	90.4	Very high	77.4	Confident	110 Å²	110	77.2 Å²	77.2	51%	0.514	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-46.9	177.5	-63.4	-179.5	-5.6	0	0	110.2	C833 Q834 G835 N840	C833-Q838 HydrophobicContact CB-CB 3.9Å; Q834-Q838 PolarHBondContact O-OE1 3.29Å; G835-Q838 PolarHBondContact O-N 2.68Å; Q838-N840 PolarHBondContact O-N 2.73Å
839	C	91.9	Very high	74.6	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.007	41%	0.414	C	S	.	.	S	Bend	trans	-72.7	11.2	-175.7	-64.4	0	0	0	0	115.7	Y100 D382 C833 G835	Y100-C839 HydrophobicContact CD2-CB 4.14Å; Y100-C839 HydrophobicContact CE2-CB 3.83Å; D382-C839 HydrophobicContact CB-CB 3.84Å; C833-C839 HydrophobicContact CB-CB 3.93Å; C833-C839 WeakPolarHBondContact CB-SG 3.42Å; C833-C839 PolarHBondContact O-SG 3.11Å; C833-C839 VanDerWaalsContact O-SG 3.35Å; C833-C839 WeakPolarHBondContact SG-CA 3.25Å; C833-C839 WeakPolarHBondContact SG-CB 3.42Å; C833-C839 CovalentContact SG-SG 2.04Å; C833-C839 PolarHBondContact SG-SG 3.17Å; G835-C839 PolarHBondContact O-N 2.84Å
840	N	86.1	Confident	71.6	Confident	8 Å²	8	74.8 Å²	74.8	4%	0.043	42%	0.421	C	S	.	.	S	Bend	trans	-140.8	76.1	174.9	-59.3	-101	0	0	0	109.5	D382 K384 R409 Y836 Q838	D382-N840 PolarHBondContact O-ND2 2.95Å; K384-N840 HydrophobicContact CD-CB 4.15Å; K384-N840 WeakPolarHBondContact CD-OD1 3.46Å; K384-N840 VanDerWaalsContact CE-CG 3.47Å; R409-N840 VanDerWaalsContact CZ-OD1 3.24Å; R409-N840 PolarHBondContact NE-OD1 3.47Å; R409-N840 PolarHBondContact NH2-OD1 2.93Å; Y836-N840 VanDerWaalsContact CA-ND2 3.34Å; Y836-N840 WeakPolarHBondContact CA-ND2 3.41Å; Y836-N840 WeakPolarHBondContact O-CB 3.48Å; Y836-N840 PolarHBondContact O-ND2 2.79Å; Q838-N840 PolarHBondContact O-N 2.73Å
841	P	75.9	Confident	68.9	Low	26 Å²	26	84.8 Å²	84.8	17%	0.169	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-53.3	154.9	171.6	23.9	-34.6	0	0	0	111	M830	M830-P841 VanDerWaalsContact SD-CD 3.51Å; M830-P841 HydrophobicContact SD-CG 3.84Å
842	R	72.4	Confident	66.1	Low	199 Å²	199	89.8 Å²	89.8	75%	0.751	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-84.6	146.1	172.3	-62.2	-174.6	178.9	170.6	2.5	109.3	V407 K844	V407-R842 HydrophobicContact CG1-CB 4.03Å; V407-R842 HydrophobicContact CG1-CG 3.81Å; R842-K844 PolarHBondContact O-N 3.43Å
843	P	67.6	Low	63.2	Low	40 Å²	40	89.7 Å²	89.7	26%	0.26	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-55	123.3	171.7	-25.6	34.7	0	0	0	111	W408 D410 G845 S846	W408-P843 VanDerWaalsContact O-CD 3.26Å; W408-P843 WeakPolarHBondContact O-CD 3.23Å; D410-P843 HydrophobicContact CB-CB 4.3Å; D410-P843 HydrophobicContact CB-CG 4.03Å; D410-P843 WeakPolarHBondContact OD2-CA 3.37Å; D410-P843 WeakPolarHBondContact OD2-CB 3.43Å; P843-G845 PolarHBondContact O-N 3.14Å; P843-S846 PolarHBondContact O-N 2.85Å
844	K	58.8	Low	60	Low	150 Å²	150	92.8 Å²	92.8	65%	0.652	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	110.9	178.4	-70.1	174	179.5	164.3	0	108.2	Q826 R842	Q826-K844 VanDerWaalsContact OE1-NZ 3.12Å; R842-K844 PolarHBondContact O-N 3.43Å
845	G	48.5	Very low	56.8	Low	71 Å²	71	92 Å²	92	73%	0.732	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.3	-16.3	-175.1	0	0	0	0	0	114.9	P843 D847	P843-G845 PolarHBondContact O-N 3.14Å; G845-D847 PolarHBondContact O-N 2.8Å; G845-D847 VanDerWaalsContact O-N 3.09Å
846	S	39.9	Very low	54	Low	56 Å²	56	102.3 Å²	102.3	39%	0.392	59%	0.587	S	S	.	*			trans	-82.3	27.7	179.3	-151.3	0	0	0	0	114.5	P843 T848	P843-S846 PolarHBondContact O-N 2.85Å; S846-T848 PolarHBondContact O-N 3.2Å
847	D	35.8	Very low	50.9	Low	152 Å²	152	106.8 Å²	106.8	81%	0.813	61%	0.611	S	S	*	*			trans	-77.9	65.6	-175.9	-79.4	-44.6	0	0	0	113.2	G845 G849	G845-D847 PolarHBondContact O-N 2.8Å; G845-D847 VanDerWaalsContact O-N 3.09Å; D847-G849 VanDerWaalsContact C-N 3.28Å; D847-G849 PolarHBondContact O-N 3.11Å
848	T	35.1	Very low	48.4	Very low	79 Å²	79	103.9 Å²	103.9	49%	0.485	61%	0.61	S	S	.	*			trans	-67.8	90.2	158.8	43.1	0	0	0	0	109	K404 S846 G850	K404-T848 WeakPolarHBondContact CE-OG1 3.5Å; K404-T848 PolarHBondContact NZ-O 3.36Å; K404-T848 PolarHBondContact NZ-OG1 3.06Å; S846-T848 PolarHBondContact O-N 3.2Å; T848-G850 PolarHBondContact O-N 3.18Å
849	G	35.1	Very low	45.5	Very low	81 Å²	81	107.9 Å²	107.9	84%	0.835	63%	0.628	S	S	*	*			trans	-31.4	114.9	-165.1	0	0	0	0	0	116.6	D847	D847-G849 VanDerWaalsContact C-N 3.28Å; D847-G849 PolarHBondContact O-N 3.11Å
850	G	29.4	Very low	42.4	Very low	63 Å²	63	120 Å²	120	65%	0.649	67%	0.674	S	S	*	*			trans	-140.1	128.1	168.3	0	0	0	0	0	109	T848 D852	T848-G850 PolarHBondContact O-N 3.18Å; G850-D852 VanDerWaalsContact C-N 3.32Å; G850-D852 PolarHBondContact O-N 2.86Å
851	K	37.4	Very low	39.7	Very low	212 Å²	212	131.2 Å²	131.2	92%	0.922	72%	0.716	S	S	*	*	S	Bend	trans	-75	80.1	-177.3	-73.2	-176.2	175.5	-179.7	0	111.8
852	D	33.8	Very low	37.4	Very low	163 Å²	163	138.6 Å²	138.6	87%	0.872	75%	0.748	S	S	*	*			trans	-135	40.3	161.6	-81	-51.2	0	0	0	110	G850 G854	G850-D852 VanDerWaalsContact C-N 3.32Å; G850-D852 PolarHBondContact O-N 2.86Å; D852-G854 PolarHBondContact O-N 2.91Å
853	G	31.1	Very low	35.2	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	76%	0.756	S	S	*	*			trans	-74.2	83.1	179.8	0	0	0	0	0	112.1	S855	G853-S855 PolarHBondContact O-N 2.91Å
854	G	26.7	Very low	33.4	Very low	68 Å²	68	145 Å²	145	70%	0.701	78%	0.782	S	S	*	*			trans	-70.8	65.1	175.7	0	0	0	0	0	113.6	D852 Y856	D852-G854 PolarHBondContact O-N 2.91Å; G854-Y856 PolarHBondContact O-N 3.31Å
855	S	27.1	Very low	31.8	Very low	114 Å²	114	150 Å²	150	80%	0.797	80%	0.797	S	S	*	*			trans	-69.3	121.3	173.6	-167.5	0	0	0	0	110.4	G853 E857	G853-S855 PolarHBondContact O-N 2.91Å; S855-E857 PolarHBondContact O-N 2.57Å
856	Y	33.9	Very low	30.9	Very low	223 Å²	223	155.3 Å²	155.3	88%	0.875	80%	0.8	S	S	*	*			trans	-89.3	98.3	178.2	-93	-96.6	0	0	0	110.7	G854	G854-Y856 PolarHBondContact O-N 3.31Å
857	E	26.1	Very low	30.2	Very low	179 Å²	179	164.6 Å²	164.6	84%	0.836	83%	0.827	S	S	*	*			trans	-73.6	138.9	161.7	-79.5	-160.9	137.6	0	0	111.1	S855	S855-E857 PolarHBondContact O-N 2.57Å
858	P	33.4	Very low	29.7	Very low	110 Å²	110	162.4 Å²	162.4	71%	0.714	82%	0.823	S	S	*	*			trans	-84.2	132.5	179.3	32.3	-33.6	0	0	0	113.1
859	H	29.1	Very low	29.6	Very low	193 Å²	193	168.2 Å²	168.2	89%	0.894	84%	0.842	S	S	*	*			trans	47.6	104.5	159.1	-64.1	-66.2	0	0	0	119.3
860	R	27.1	Very low	29.3	Very low	256 Å²	256	171 Å²	171	97%	0.966	84%	0.843	S	S	*	*			trans	-123.5	148.4	145.4	-137.5	170	-174.9	177.5	1.1	111.5
861	R	28.8	Very low	29.4	Very low	244 Å²	244	179.2 Å²	179.2	92%	0.921	85%	0.854	S	S	*	*			trans	-72.4	154.9	-164.7	-69.4	-179.7	174.8	179	-2.6	113.4
862	Q	27.7	Very low	29.3	Very low	180 Å²	180	175.4 Å²	175.4	84%	0.841	85%	0.851	S	S	*	*			trans	-55.3	139.1	169.4	-64.5	167.1	-33.2	0	0	112
863	Q	27.5	Very low	29	Very low	197 Å²	197	172.9 Å²	172.9	92%	0.921	85%	0.846	S	S	*	*			trans	-136.1	138	145.7	-75.8	-164.2	-11.9	0	0	109.4
864	H	29.2	Very low	29	Very low	176 Å²	176	176.6 Å²	176.6	82%	0.815	85%	0.847	S	S	*	*			trans	-80	144	178.4	-76	-90	0	0	0	112
865	R	26.2	Very low	29	Very low	257 Å²	257	179 Å²	179	97%	0.97	85%	0.853	S	S	*	*			trans	-145.6	156.1	141.3	-108.6	167	-173.9	-166.9	-0.8	110
866	K	27.8	Very low	29.2	Very low	181 Å²	181	182.7 Å²	182.7	79%	0.787	86%	0.855	S	S	*	*			trans	-108.4	149.1	-166	-68.8	179.1	177.3	176.8	0	112.4
867	W	25.4	Very low	29.4	Very low	251 Å²	251	177.2 Å²	177.2	95%	0.951	85%	0.847	S	S	*	*			trans	66.5	164	153.2	-70.6	2.7	0	0	0	116.2
868	S	25.5	Very low	29.5	Very low	107 Å²	107	175 Å²	175	75%	0.748	85%	0.846	S	S	*	*			cis	-133.5	176.4	9.4	60.2	0	0	0	0	113.6
869	K	33.9	Very low	29.4	Very low	201 Å²	201	178.4 Å²	178.4	87%	0.874	85%	0.852	S	S	*	*			trans	-87.7	139.1	174.6	-58.4	172	-179.1	174	0	110.9
870	T	27.3	Very low	30.3	Very low	139 Å²	139	174.1 Å²	174.1	85%	0.853	84%	0.841	S	S	*	*			trans	-159.5	141.6	143.1	8.8	0	0	0	0	111.7
871	R	33.5	Very low	30.4	Very low	235 Å²	235	168.6 Å²	168.6	89%	0.887	84%	0.836	S	S	*	*			trans	-99.5	157	156	-82.6	-177.7	170.7	177.4	-4.2	108.1
872	P	33.3	Very low	30.6	Very low	132 Å²	132	168.8 Å²	168.8	86%	0.857	84%	0.837	S	S	*	*				-121.9	-172.7	123.3	0.5	20.3	0	0	0	112.6
873	S	28	Very low	30.8	Very low	110 Å²	110	169.7 Å²	169.7	77%	0.769	84%	0.841	S	S	*	*			trans	-120.6	166.6	-164.3	50.7	0	0	0	0	115
874	L	32.3	Very low	31	Very low	156 Å²	156	163.6 Å²	163.6	82%	0.817	83%	0.831	S	S	*	*			trans	-31.6	143.5	168.8	-70.7	150.1	0	0	0	116.9
875	S	26.1	Very low	31.1	Very low	118 Å²	118	166 Å²	166	83%	0.825	83%	0.833	S	S	*	*			trans	-153.4	146.4	134.6	43.2	0	0	0	0	110.8
876	F	32	Very low	31.5	Very low	191 Å²	191	162 Å²	162	84%	0.838	83%	0.826	S	S	*	*			trans	-97.4	157.3	165.7	-89.4	-94.3	0	0	0	108.3
877	P	37.4	Very low	32	Very low	108 Å²	108	160.8 Å²	160.8	70%	0.701	86%	0.864	S	S	*	*				-150.8	161.7	102.7	39.8	-23.2	0	0	0	117.3
878	T	28.7	Very low	32.3	Very low	133 Å²	133	156.3 Å²	156.3	82%	0.816	86%	0.859	S	S	*	*			trans	54.4	120.3	144.8	51.8	0	0	0	0	123.6
879	Q	30.8	Very low	32.7	Very low	182 Å²	182	158.8 Å²	158.8	85%	0.85	87%	0.865	S	S	*	*			trans	-71.3	-177.7	144	-87.1	-174.4	-10.4	0	0	112
880	P	48.6	Very low	32.6	Very low	102 Å²	102	156.5 Å²	156.5	66%	0.662	87%	0.865	S	S	*	*			cis	-133.7	168.7	-32.8	34.5	-18.3	0	0	0	113.5
881	V	29	Very low	32.9	Very low	141 Å²	141	157.5 Å²	157.5	86%	0.855	87%	0.865	S	S	*	*			trans	-138.8	140.2	154.2	-179.6	0	0	0	0	109.6
882	W	32.4	Very low	32.9	Very low	248 Å²	248	152.7 Å²	152.7	94%	0.939	86%	0.864	S	S	*	*			trans	-98.6	131.3	166.2	-87.8	72.7	0	0	0	109.4
883	E	31.1	Very low	32.8	Very low	198 Å²	198	154.1 Å²	154.1	93%	0.925	87%	0.865	S	S	*	*			trans	-155.8	156.9	148.8	-135.1	171.1	-145.2	0	0	109.5
884	G	31.9	Very low	33.2	Very low	69 Å²	69	157.2 Å²	157.2	71%	0.711	87%	0.871	S	S	*	*			trans	-174.8	141.2	177.6	0	0	0	0	0	113.3
885	R	31.3	Very low	33.3	Very low	226 Å²	226	157.3 Å²	157.3	85%	0.853	88%	0.876	S	S	*	*			trans	-156.5	136.4	164.3	-104.5	-179.4	-171.7	-166.5	1.8	111
886	Q	35.8	Very low	33.9	Very low	175 Å²	175	160.6 Å²	160.6	82%	0.818	88%	0.88	S	S	*	*			trans	45.6	121.2	139.3	-63.9	170.1	-65.3	0	0	119.3
887	G	37.3	Very low	34	Very low	154 Å²	154	157.8 Å²	157.8	100%	1.588	88%	0.884	S	S	*	*			trans	176.1	0	176.3	0	0	0	0	0	107.9

Retrieved 887 of 887 residues in 277.7 ms (Link to these results)

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