A0A077Z3H9_TRITR Loading...

Tubulointerstitial nephritis antigen

AlphaFold DB , UniProt , Accession A0A077Z3H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	32.9	Very low	247 Å²	247	150.3 Å²	150.3	100%	1.217	85%	0.847	S	S	*	*				0	134.1	0	-75.1	175.2	179.4	0	0	108.3
2	A	35.4	Very low	32.8	Very low	91 Å²	91	157 Å²	157	75%	0.752	85%	0.849	S	S	*	*			trans	-43	161.5	170.1	0	0	0	0	0	113
3	K	31.1	Very low	33.1	Very low	212 Å²	212	162.9 Å²	162.9	92%	0.922	85%	0.852	S	S	*	*			cis	-178.2	165.9	14.7	-121	169.4	-176	-176	0	105.3
4	G	33.5	Very low	33.1	Very low	61 Å²	61	161.4 Å²	161.4	63%	0.629	85%	0.853	S	S	*	*			trans	118.5	94.9	157.6	0	0	0	0	0	112.9
5	E	34.5	Very low	33.4	Very low	190 Å²	190	162.5 Å²	162.5	89%	0.888	85%	0.852	S	S	*	*				77.3	140.6	87.3	-78.4	179.9	176.6	0	0	111.8
6	R	31.3	Very low	33.5	Very low	214 Å²	214	169 Å²	169	81%	0.808	86%	0.862	S	S	*	*			cis	-172.2	144.6	-25.5	-124.8	-175.8	-169.4	-159	5.8	104
7	M	32.4	Very low	33.7	Very low	161 Å²	161	164.6 Å²	164.6	79%	0.793	86%	0.857	S	S	*	*			trans	60.9	104.4	149.8	-73	172.3	153.1	0	0	121.8
8	V	27.2	Very low	34	Very low	145 Å²	145	164.4 Å²	164.4	88%	0.879	86%	0.856	S	S	*	*				15.5	123	114.2	-173.9	0	0	0	0	118.4
9	S	32.8	Very low	34.2	Very low	124 Å²	124	164.5 Å²	164.5	87%	0.867	86%	0.857	S	S	*	*				-172.3	160.1	121	-169.8	0	0	0	0	112.5
10	A	33.4	Very low	34.4	Very low	88 Å²	88	165.1 Å²	165.1	73%	0.727	86%	0.86	S	S	*	*			trans	-82.4	161.8	-153.3	0	0	0	0	0	117.6
11	S	34.4	Very low	34.5	Very low	120 Å²	120	164.2 Å²	164.2	84%	0.839	86%	0.856	S	S	*	*			trans	76.7	102.8	139.6	-156.4	0	0	0	0	119.5
12	R	31.9	Very low	34.5	Very low	231 Å²	231	161.7 Å²	161.7	87%	0.872	84%	0.838	S	S	*	*			trans	-76	142.4	159.4	-68.3	172.1	168.5	-171.3	-5.3	110.2
13	R	36	Very low	34.7	Very low	234 Å²	234	163.6 Å²	163.6	88%	0.883	84%	0.84	S	S	*	*			trans	135.3	81.2	133.6	-73.6	175.5	-179	-152.6	0.4	113
14	T	34	Very low	35	Very low	141 Å²	141	165.3 Å²	165.3	87%	0.865	84%	0.841	S	S	*	*			trans	-158.8	53.2	157.2	48	0	0	0	0	112.4
15	E	36.8	Very low	35.3	Very low	179 Å²	179	166.7 Å²	166.7	84%	0.836	84%	0.841	S	S	*	*			trans	-149.5	71.1	169.5	-72.3	-163	171.1	0	0	112.3
16	W	35.4	Very low	35.5	Very low	266 Å²	266	165.1 Å²	165.1	100%	1.008	84%	0.837	S	S	*	*			trans	-144.6	62.2	162.1	-74.4	92.1	0	0	0	108.8
17	A	36.7	Very low	35.9	Very low	95 Å²	95	161 Å²	161	79%	0.785	84%	0.835	S	S	*	*			trans	-130.4	14.6	-173.4	0	0	0	0	0	115.5
18	L	39.3	Very low	36.2	Very low	161 Å²	161	160 Å²	160	84%	0.843	83%	0.832	S	S	*	*	S	Bend	trans	-131.9	22.8	-172	-84.5	168.8	0	0	0	117.4
19	L	38.1	Very low	36.6	Very low	165 Å²	165	158.7 Å²	158.7	86%	0.864	83%	0.827	S	S	*	*	S	Bend	trans	-131.4	20.6	-176.1	-108.1	151.9	0	0	0	117.9
20	L	37.8	Very low	36.8	Very low	177 Å²	177	158.2 Å²	158.2	93%	0.927	82%	0.818	S	S	*	*			trans	-134.8	42.6	174	-70.6	172.6	0	0	0	114
21	L	36.4	Very low	36.9	Very low	147 Å²	147	159.1 Å²	159.1	77%	0.77	82%	0.817	S	S	*	*			trans	-88.4	135.3	159.3	-70.4	167.4	0	0	0	108
22	F	36.4	Very low	37.1	Very low	194 Å²	194	159.9 Å²	159.9	85%	0.851	82%	0.817	S	S	*	*			trans	97.8	61.2	179.4	-61.6	-81.7	0	0	0	118
23	V	40.3	Very low	37.7	Very low	130 Å²	130	153.7 Å²	153.7	79%	0.788	81%	0.809	S	S	*	*			trans	-130	85	139	-174	0	0	0	0	108.4	S25	V23-S25 VanDerWaalsContact C-N 3.34Å; V23-S25 PolarHBondContact O-N 3.04Å
24	R	35.9	Very low	38.2	Very low	248 Å²	248	145.3 Å²	145.3	94%	0.936	79%	0.79	S	S	*	*			trans	-76.8	88.9	161.7	-94.7	-174.3	171.2	-165.5	-1.7	107.3
25	S	40.7	Very low	39.2	Very low	90 Å²	90	146.6 Å²	146.6	63%	0.629	79%	0.789	S	S	*	*			trans	-93.2	118.9	163.5	-72.8	0	0	0	0	108.7	V23 V27	V23-S25 VanDerWaalsContact C-N 3.34Å; V23-S25 PolarHBondContact O-N 3.04Å; S25-V27 PolarHBondContact O-N 3.2Å
26	I	37.6	Very low	40.6	Very low	158 Å²	158	139 Å²	139	81%	0.81	76%	0.76	S	S	*	*			trans	-61	99.8	173.3	-64.6	162.3	0	0	0	107.5
27	V	40.7	Very low	42.3	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	72%	0.718	S	S	*	*			trans	-86.8	105.6	168	-179.4	0	0	0	0	106.4	S25	S25-V27 PolarHBondContact O-N 3.2Å
28	L	37.6	Very low	43.6	Very low	139 Å²	139	128.9 Å²	128.9	73%	0.728	71%	0.711	S	S	*	*			trans	-59.6	137.6	166.6	-71.5	165.4	0	0	0	108.5	V30	L28-V30 PolarHBondContact O-N 3.42Å; L28-V30 VanDerWaalsContact O-N 3.1Å
29	P	36.7	Very low	44.7	Very low	118 Å²	118	124.9 Å²	124.9	77%	0.766	71%	0.708	S	S	*	*			trans	-66.4	114.7	-176.3	26.2	-31.5	0	0	0	109.4
30	V	37	Very low	46.2	Very low	114 Å²	114	119.1 Å²	119.1	69%	0.691	68%	0.678	S	S	*	*			trans	-63.6	125.5	160.3	179.8	0	0	0	0	105.6	L28 T32	L28-V30 PolarHBondContact O-N 3.42Å; L28-V30 VanDerWaalsContact O-N 3.1Å; V30-T32 PolarHBondContact O-N 3.15Å
31	P	35.6	Very low	47.7	Very low	108 Å²	108	116.1 Å²	116.1	70%	0.701	67%	0.669	S	S	*	*			trans	-60.1	107.8	173.1	23.6	-29.6	0	0	0	107.1	S33	P31-S33 PolarHBondContact O-N 3.07Å
32	T	39.1	Very low	49.4	Very low	135 Å²	135	110.6 Å²	110.6	83%	0.828	65%	0.648	S	S	*	*			trans	-70.7	87.4	168.3	49.7	0	0	0	0	105.9	V30 A34	V30-T32 PolarHBondContact O-N 3.15Å; T32-A34 PolarHBondContact O-N 3.04Å; T32-A34 VanDerWaalsContact O-N 3.11Å
33	S	42.8	Very low	51.7	Low	101 Å²	101	105.5 Å²	105.5	71%	0.706	63%	0.629	S	S	*	*			trans	-57.3	115.4	160.4	-45	0	0	0	0	105.8	P31 I35	P31-S33 PolarHBondContact O-N 3.07Å; S33-I35 PolarHBondContact O-N 2.87Å; S33-I35 VanDerWaalsContact O-N 3.15Å
34	A	47.1	Very low	54.1	Low	58 Å²	58	100.4 Å²	100.4	48%	0.479	60%	0.596	S	S	.	*			trans	-58.7	122.5	174.4	0	0	0	0	0	107.8	T32 G36 D81	T32-A34 PolarHBondContact O-N 3.04Å; T32-A34 VanDerWaalsContact O-N 3.11Å; A34-G36 PolarHBondContact O-N 3.1Å; A34-D81 WeakPolarHBondContact CB-O 3.23Å
35	I	54.8	Low	56.8	Low	168 Å²	168	88.7 Å²	88.7	86%	0.862	55%	0.552	S	S	*	*			trans	-77.4	106.5	177.6	-58.8	171.7	0	0	0	105.6	S33	S33-I35 PolarHBondContact O-N 2.87Å; S33-I35 VanDerWaalsContact O-N 3.15Å
36	G	66.9	Low	59.1	Low	21 Å²	21	88.2 Å²	88.2	22%	0.216	54%	0.542	C	S	.	.			trans	-64.8	173.8	172.4	0	0	0	0	0	112.2	A34 D38 D83	A34-G36 PolarHBondContact O-N 3.1Å; G36-D38 PolarHBondContact O-N 3.11Å; G36-D83 WeakPolarHBondContact CA-O 3.19Å
37	F	70.8	Confident	61.5	Low	30 Å²	30	85.8 Å²	85.8	13%	0.132	53%	0.53	C	S	.	.			trans	-80.7	12.8	-177.1	-59.3	-68.3	0	0	0	114.8	G39 I40 I65 C71 P87	F37-G39 PolarHBondContact O-N 2.96Å; F37-I40 HydrophobicContact CB-CD1 4.23Å; F37-I40 HydrophobicContact CD1-CD1 3.97Å; F37-I40 PolarHBondContact O-N 3.27Å; F37-I65 HydrophobicContact CB-CD1 3.81Å; F37-I65 HydrophobicContact CD1-CD1 3.99Å; F37-I65 HydrophobicContact CD1-CG1 4.44Å; F37-I65 HydrophobicContact CD1-CG2 3.99Å; F37-I65 HydrophobicContact CE1-CG2 3.66Å; F37-I65 HydrophobicContact CE2-CG2 4.46Å; F37-I65 HydrophobicContact CG-CD1 3.86Å; F37-I65 HydrophobicContact CZ-CG2 3.92Å; F37-C71 HydrophobicContact CD2-CB 3.93Å; F37-C71 HydrophobicContact CE2-CB 3.98Å; F37-P87 HydrophobicContact CB-CG 4.18Å
38	D	64.4	Low	63.9	Low	118 Å²	118	81.9 Å²	81.9	63%	0.631	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	128.1	-178.1	-79.5	-31.2	0	0	0	112	G36	G36-D38 PolarHBondContact O-N 3.11Å
39	G	61.7	Low	66.1	Low	76 Å²	76	85 Å²	85	78%	0.784	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-3.8	176.6	0	0	0	0	0	116	F37 P41	F37-G39 PolarHBondContact O-N 2.96Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å
40	I	69.1	Low	68.3	Low	44 Å²	44	83.9 Å²	83.9	23%	0.226	50%	0.502	C	S	.	.			trans	-76.4	119.1	170.6	-58.8	176.5	0	0	0	108.9	F37 Y44 I65 L66 P87	F37-I40 HydrophobicContact CB-CD1 4.23Å; F37-I40 HydrophobicContact CD1-CD1 3.97Å; F37-I40 PolarHBondContact O-N 3.27Å; I40-Y44 WeakPolarHBondContact CG2-OH 3Å; I40-I65 HydrophobicContact CB-CD1 4.46Å; I40-I65 HydrophobicContact CD1-CD1 4.13Å; I40-I65 HydrophobicContact CD1-CG1 4.19Å; I40-I65 HydrophobicContact CG2-CD1 4.35Å; I40-I65 HydrophobicContact CG2-CG1 4.26Å; I40-L66 HydrophobicContact CD1-CD1 3.82Å; I40-L66 HydrophobicContact CD1-CD2 4.49Å; I40-L66 HydrophobicContact CD1-CG 4.21Å; I40-P87 HydrophobicContact CB-CG 4.06Å; I40-P87 VanDerWaalsContact O-CB 3.26Å; I40-P87 WeakPolarHBondContact O-CB 3.38Å; I40-P87 WeakPolarHBondContact O-CG 3.09Å
41	P	70	Confident	70.4	Confident	114 Å²	114	82.8 Å²	82.8	74%	0.74	50%	0.495	S	S	*	.			trans	-75.4	135.8	-179.9	30.3	-33.7	0	0	0	111.4	G39	G39-P41 WeakPolarHBondContact O-CD 3.45Å
42	G	72.5	Confident	72.8	Confident	32 Å²	32	83.6 Å²	83.6	33%	0.33	49%	0.49	S	S	.	.			trans	159.4	161.2	174.2	0	0	0	0	0	112.8	Y44	G42-Y44 WeakPolarHBondContact O-CD2 3.02Å; G42-Y44 WeakPolarHBondContact O-CE2 3.45Å
43	D	84.2	Confident	75.3	Confident	86 Å²	86	78.5 Å²	78.5	46%	0.46	46%	0.459	S	S	.	.			trans	-99.3	127.3	169.8	-66.8	-32.3	0	0	0	108.3	L46 L47	D43-L46 HydrophobicContact CB-CB 4.23Å; D43-L46 HydrophobicContact CB-CD2 4.26Å; D43-L47 HydrophobicContact CB-CD1 4.38Å; D43-L47 HydrophobicContact CB-CD2 4.48Å; D43-L47 HydrophobicContact CB-CG 4.03Å; D43-L47 WeakPolarHBondContact O-CD1 3.15Å
44	Y	91.5	Very high	77.7	Confident	24 Å²	24	74.7 Å²	74.7	9%	0.094	43%	0.432	C	S	.	.	S	Bend	trans	-129.6	-69.6	-175.6	-56.1	-92	0	0	0	110.3	I40 G42 L46 L47 M63 P64 I65 C86 P87 D88	I40-Y44 WeakPolarHBondContact CG2-OH 3Å; G42-Y44 WeakPolarHBondContact O-CD2 3.02Å; G42-Y44 WeakPolarHBondContact O-CE2 3.45Å; Y44-L46 PolarHBondContact O-N 3.2Å; Y44-L47 PolarHBondContact O-N 3.12Å; Y44-M63 HydrophobicContact CD1-CB 4.16Å; Y44-M63 WeakPolarHBondContact O-CE 3.32Å; Y44-M63 WeakPolarHBondContact O-CG 3.47Å; Y44-P64 WeakPolarHBondContact CE1-O 3.07Å; Y44-I65 HydrophobicContact CE1-CB 3.94Å; Y44-I65 HydrophobicContact CE1-CD1 3.99Å; Y44-I65 HydrophobicContact CE1-CG1 3.74Å; Y44-I65 HydrophobicContact CE2-CD1 4.17Å; Y44-C86 HydrophobicContact CD2-CB 4.34Å; Y44-C86 HydrophobicContact CG-CB 4.13Å; Y44-P87 HydrophobicContact CD2-CB 4.49Å; Y44-P87 HydrophobicContact CD2-CG 4.2Å; Y44-P87 HydrophobicContact CE2-CB 4.2Å; Y44-P87 HydrophobicContact CE2-CG 3.72Å; Y44-D88 WeakPolarHBondContact CB-OD1 3.23Å; Y44-D88 VanDerWaalsContact N-CG 3.3Å; Y44-D88 PolarHBondContact N-OD1 3.42Å; Y44-D88 PolarHBondContact N-OD2 2.88Å
45	C	91.7	Very high	79.6	Confident	1 Å²	1	77 Å²	77	1%	0.007	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31.5	175.9	-59.1	0	0	0	0	111.8	L47 R48 C73 D88 V92	C45-L47 VanDerWaalsContact C-N 3.28Å; C45-L47 PolarHBondContact O-N 2.82Å; C45-R48 PolarHBondContact O-N 2.94Å; C45-C73 WeakPolarHBondContact CA-SG 3.2Å; C45-C73 HydrophobicContact CB-CB 3.9Å; C45-C73 WeakPolarHBondContact CB-SG 3Å; C45-C73 VanDerWaalsContact SG-CA 3.51Å; C45-C73 WeakPolarHBondContact SG-CB 3.04Å; C45-C73 CovalentContact SG-SG 2.04Å; C45-C73 PolarHBondContact SG-SG 2.02Å; C45-D88 VanDerWaalsContact N-CG 3.32Å; C45-D88 PolarHBondContact N-OD1 3.42Å; C45-D88 PolarHBondContact N-OD2 3.08Å; C45-V92 HydrophobicContact CB-CB 3.98Å; C45-V92 HydrophobicContact CB-CG1 3.96Å; C45-V92 HydrophobicContact CB-CG2 4.3Å
46	L	89.9	Confident	81.1	Confident	81 Å²	81	75.1 Å²	75.1	42%	0.424	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-65	-29	173.7	-171.4	66.6	0	0	0	113.2	D43 Y44 V51 D88 V92	D43-L46 HydrophobicContact CB-CB 4.23Å; D43-L46 HydrophobicContact CB-CD2 4.26Å; Y44-L46 PolarHBondContact O-N 3.2Å; L46-V51 HydrophobicContact CD1-CG1 4.43Å; L46-V51 WeakPolarHBondContact O-CG2 3.28Å; L46-D88 PolarHBondContact N-OD2 2.97Å; L46-V92 HydrophobicContact CB-CG2 3.87Å; L46-V92 HydrophobicContact CD1-CG2 4.4Å
47	L	88.2	Confident	82.1	Confident	107 Å²	107	81.6 Å²	81.6	56%	0.56	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-87.2	-5	-177.9	-64.7	-175.8	0	0	0	113.8	D43 Y44 C45 M63	D43-L47 HydrophobicContact CB-CD1 4.38Å; D43-L47 HydrophobicContact CB-CD2 4.48Å; D43-L47 HydrophobicContact CB-CG 4.03Å; D43-L47 WeakPolarHBondContact O-CD1 3.15Å; Y44-L47 PolarHBondContact O-N 3.12Å; C45-L47 VanDerWaalsContact C-N 3.28Å; C45-L47 PolarHBondContact O-N 2.82Å; L47-M63 HydrophobicContact CB-CE 3.93Å
48	R	90.2	Very high	83	Confident	44 Å²	44	83 Å²	83	17%	0.166	46%	0.455	C	S	.	.	S	Bend	trans	-63.3	148.4	177.5	-68.1	-172.5	68.5	-149.8	4.9	111.1	C45 P50 V51 Q52 C54 C61 M63	C45-R48 PolarHBondContact O-N 2.94Å; R48-P50 VanDerWaalsContact C-C 3.48Å; R48-P50 CarbonylContact C-O 3.55Å; R48-P50 VanDerWaalsContact C-O 3.25Å; R48-P50 CarbonylContact O-C 2.98Å; R48-V51 WeakPolarHBondContact O-CA 3.01Å; R48-V51 VanDerWaalsContact O-CG2 3.25Å; R48-V51 WeakPolarHBondContact O-CG2 3.43Å; R48-V51 PolarHBondContact O-N 3.27Å; R48-V51 VanDerWaalsContact O-N 3.09Å; R48-Q52 PolarHBondContact NH1-O 2.04Å; R48-C54 PolarHBondContact NH1-SG 3.43Å; R48-C54 VanDerWaalsContact NH1-SG 3.44Å; R48-C61 PolarHBondContact NH1-SG 2.93Å; R48-M63 HydrophobicContact CG-CG 3.99Å; R48-M63 HydrophobicContact CG-SD 3.66Å
49	K	83	Confident	84.1	Confident	206 Å²	206	81.6 Å²	81.6	90%	0.896	45%	0.447	S	S	*	.	S	Bend	trans	-124.3	109.5	176.3	-68.3	-175.5	-178.6	179	0	109.3
50	P	83.2	Confident	85.4	Confident	93 Å²	93	84.8 Å²	84.8	60%	0.604	45%	0.447	S	S	*	.	S	Bend	cis	-67.1	159.1	-4.6	30.7	-35.2	0	0	0	112.3	R48 Q52	R48-P50 VanDerWaalsContact C-C 3.48Å; R48-P50 CarbonylContact C-O 3.55Å; R48-P50 VanDerWaalsContact C-O 3.25Å; R48-P50 CarbonylContact O-C 2.98Å; P50-Q52 HydrophobicContact CB-CB 4.48Å; P50-Q52 HydrophobicContact CG-CB 4.18Å; P50-Q52 PolarHBondContact O-N 3.16Å
51	V	81.3	Confident	86.6	Confident	91 Å²	91	82.7 Å²	82.7	55%	0.552	44%	0.436	S	S	*	.			trans	-71.5	83.8	171.8	-174.6	0	0	0	0	107.4	L46 R48 V92	L46-V51 HydrophobicContact CD1-CG1 4.43Å; L46-V51 WeakPolarHBondContact O-CG2 3.28Å; R48-V51 WeakPolarHBondContact O-CA 3.01Å; R48-V51 VanDerWaalsContact O-CG2 3.25Å; R48-V51 WeakPolarHBondContact O-CG2 3.43Å; R48-V51 PolarHBondContact O-N 3.27Å; R48-V51 VanDerWaalsContact O-N 3.09Å; V51-V92 HydrophobicContact CG1-CG1 4.38Å
52	Q	86.2	Confident	87.6	Confident	126 Å²	126	78.6 Å²	78.6	59%	0.589	41%	0.409	S	S	*	.			trans	-144.7	130.8	-175.3	-175	172.8	5	0	0	109.4	R48 P50	R48-Q52 PolarHBondContact NH1-O 2.04Å; P50-Q52 HydrophobicContact CB-CB 4.48Å; P50-Q52 HydrophobicContact CG-CB 4.18Å; P50-Q52 PolarHBondContact O-N 3.16Å
53	C	92	Very high	88.5	Confident	27 Å²	27	78.7 Å²	78.7	18%	0.182	40%	0.401	C	S	.	.			trans	-89.4	145.6	173.7	-53.3	0	0	0	0	110.4	C73 C93	C53-C73 WeakPolarHBondContact CA-O 3.48Å; C53-C73 WeakPolarHBondContact CB-O 3.43Å; C53-C93 HydrophobicContact CB-CB 3.57Å; C53-C93 WeakPolarHBondContact CB-SG 3.18Å; C53-C93 WeakPolarHBondContact SG-CA 3.46Å; C53-C93 WeakPolarHBondContact SG-CB 3.15Å; C53-C93 CovalentContact SG-SG 2.02Å; C53-C93 PolarHBondContact SG-SG 2.91Å
54	C	92.6	Very high	88.7	Confident	21 Å²	21	78.7 Å²	78.7	14%	0.142	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-89	135.6	-177.2	-40.4	0	0	0	0	110.1	R48 N56 D58 C61 C73 D74 R75	R48-C54 PolarHBondContact NH1-SG 3.43Å; R48-C54 VanDerWaalsContact NH1-SG 3.44Å; C54-N56 VanDerWaalsContact C-N 3.34Å; C54-D58 HydrophobicContact CB-CB 3.93Å; C54-D58 PolarHBondContact SG-OD2 2.83Å; C54-C61 HydrophobicContact CB-CB 3.93Å; C54-C61 WeakPolarHBondContact CB-SG 3.28Å; C54-C61 WeakPolarHBondContact SG-CB 3.33Å; C54-C61 CovalentContact SG-SG 2.04Å; C54-C61 PolarHBondContact SG-SG 3.15Å; C54-C73 PolarHBondContact N-O 3.45Å; C54-D74 HydrophobicContact CB-CB 3.73Å; C54-D74 CarbonylContact O-C 3.58Å; C54-D74 VanDerWaalsContact O-CA 3.28Å; C54-D74 WeakPolarHBondContact O-CA 3.25Å; C54-R75 PolarHBondContact O-N 2.04Å
55	N	88	Confident	88.1	Confident	106 Å²	106	78.4 Å²	78.4	57%	0.567	41%	0.406	S	S	*	.	S	Bend	trans	-76.8	-22.7	-174.8	-73.9	-42.1	0	0	0	113.5	R75	N55-R75 PolarHBondContact OD1-NH1 3.09Å
56	N	86.2	Confident	87.5	Confident	130 Å²	130	82.7 Å²	82.7	70%	0.695	43%	0.428	S	S	*	.	S	Bend	trans	-125.9	167.9	-179.3	-65	-35.5	0	0	0	109.1	C54 D58 D74	C54-N56 VanDerWaalsContact C-N 3.34Å; N56-D58 PolarHBondContact O-N 3.11Å; N56-D58 VanDerWaalsContact O-N 3.16Å; N56-D74 WeakPolarHBondContact O-CB 3.38Å
57	R	88.3	Confident	86.8	Confident	156 Å²	156	82.8 Å²	82.8	59%	0.589	45%	0.448	S	S	*	.			trans	-49.8	122.8	170.1	-176.4	-177.8	168	-172.5	-6.1	110	D59 F76	R57-D59 IonicContact CZ-OD1 3.57Å; R57-D59 IonicContact NE-OD1 3.07Å; R57-D59 PolarHBondContact NE-OD1 3.44Å; R57-D59 IonicContact NH2-OD1 3.15Å; R57-D59 PolarHBondContact NH2-OD1 3.06Å; R57-D59 VanDerWaalsContact NH2-OD1 3.15Å; R57-D59 IonicContact NH2-OD2 3.42Å; R57-D59 PolarHBondContact NH2-OD2 2.8Å; R57-F76 HydrophobicContact CB-CB 3.72Å; R57-F76 HydrophobicContact CB-CD1 3.78Å; R57-F76 HydrophobicContact CB-CD2 4.21Å; R57-F76 HydrophobicContact CB-CE1 4.46Å; R57-F76 HydrophobicContact CB-CG 3.65Å; R57-F76 HydrophobicContact CG-CB 4.43Å; R57-F76 HydrophobicContact CG-CD1 3.71Å; R57-F76 HydrophobicContact CG-CE1 4.18Å; R57-F76 HydrophobicContact CG-CG 4.13Å
58	D	88.7	Confident	86.4	Confident	60 Å²	60	84.6 Å²	84.6	32%	0.321	46%	0.459	S	S	.	.			trans	-145	109.8	-178.9	177.5	-7.1	0	0	0	107.4	C54 N56 D60 C61	C54-D58 HydrophobicContact CB-CB 3.93Å; C54-D58 PolarHBondContact SG-OD2 2.83Å; N56-D58 PolarHBondContact O-N 3.11Å; N56-D58 VanDerWaalsContact O-N 3.16Å; D58-D60 PolarHBondContact O-N 2.97Å; D58-D60 PolarHBondContact OD1-N 2.85Å; D58-C61 HydrophobicContact CB-CB 3.65Å; D58-C61 WeakPolarHBondContact O-CA 3.47Å; D58-C61 WeakPolarHBondContact O-CB 3.33Å; D58-C61 PolarHBondContact O-N 3.47Å
59	D	87.3	Confident	86.1	Confident	88 Å²	88	87.3 Å²	87.3	47%	0.471	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.5	-173.6	-64.2	-16.6	0	0	0	111.6	R57 C61 T62	R57-D59 IonicContact CZ-OD1 3.57Å; R57-D59 IonicContact NE-OD1 3.07Å; R57-D59 PolarHBondContact NE-OD1 3.44Å; R57-D59 IonicContact NH2-OD1 3.15Å; R57-D59 PolarHBondContact NH2-OD1 3.06Å; R57-D59 VanDerWaalsContact NH2-OD1 3.15Å; R57-D59 IonicContact NH2-OD2 3.42Å; R57-D59 PolarHBondContact NH2-OD2 2.8Å; D59-C61 VanDerWaalsContact C-N 3.28Å; D59-T62 WeakPolarHBondContact O-CG2 3.41Å
60	D	90.1	Very high	86.5	Confident	143 Å²	143	81.4 Å²	81.4	77%	0.765	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.8	172	-65.6	-37.3	0	0	0	112.1	D58 T62	D58-D60 PolarHBondContact O-N 2.97Å; D58-D60 PolarHBondContact OD1-N 2.85Å; D60-T62 PolarHBondContact O-N 3.21Å
61	C	93.3	Very high	86.9	Confident	0 Å²	0	77 Å²	77	0%	0	42%	0.422	C	S	.	.	S	Bend	trans	-85.6	45.6	-178.6	-155.4	0	0	0	0	113	R48 C54 D58 D59 C73 D74	R48-C61 PolarHBondContact NH1-SG 2.93Å; C54-C61 HydrophobicContact CB-CB 3.93Å; C54-C61 WeakPolarHBondContact CB-SG 3.28Å; C54-C61 WeakPolarHBondContact SG-CB 3.33Å; C54-C61 CovalentContact SG-SG 2.04Å; C54-C61 PolarHBondContact SG-SG 3.15Å; D58-C61 HydrophobicContact CB-CB 3.65Å; D58-C61 WeakPolarHBondContact O-CA 3.47Å; D58-C61 WeakPolarHBondContact O-CB 3.33Å; D58-C61 PolarHBondContact O-N 3.47Å; D59-C61 VanDerWaalsContact C-N 3.28Å; C61-C73 PolarHBondContact O-N 3.5Å; C61-C73 VanDerWaalsContact SG-C 3.52Å; C61-D74 HydrophobicContact CB-CB 3.93Å; C61-D74 PolarHBondContact SG-N 3Å
62	T	92.5	Very high	87.5	Confident	29 Å²	29	75.8 Å²	75.8	18%	0.178	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.8	-167.3	52.2	0	0	0	0	114.4	D59 D60 L70 C71 Y72	D59-T62 WeakPolarHBondContact O-CG2 3.41Å; D60-T62 PolarHBondContact O-N 3.21Å; T62-L70 HydrophobicContact CG2-CB 4.32Å; T62-L70 HydrophobicContact CG2-CD1 4.41Å; T62-C71 CarbonylContact C-O 3.49Å; T62-C71 WeakPolarHBondContact CA-O 3.07Å; T62-C71 WeakPolarHBondContact CB-O 3.46Å; T62-Y72 HydrophobicContact CG2-CD1 3.24Å; T62-Y72 HydrophobicContact CG2-CD2 4.2Å; T62-Y72 HydrophobicContact CG2-CE1 3.15Å; T62-Y72 HydrophobicContact CG2-CE2 4.12Å; T62-Y72 HydrophobicContact CG2-CG 3.78Å
63	M	91	Very high	87.8	Confident	34 Å²	34	69.8 Å²	69.8	17%	0.167	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145	172.7	-68.7	-66.8	-66.9	0	0	110.7	Y44 L47 R48 L70 C71	Y44-M63 HydrophobicContact CD1-CB 4.16Å; Y44-M63 WeakPolarHBondContact O-CE 3.32Å; Y44-M63 WeakPolarHBondContact O-CG 3.47Å; L47-M63 HydrophobicContact CB-CE 3.93Å; R48-M63 HydrophobicContact CG-CG 3.99Å; R48-M63 HydrophobicContact CG-SD 3.66Å; M63-L70 CarbonylContact O-C 3.59Å; M63-L70 WeakPolarHBondContact O-CA 3.09Å; M63-C71 PolarHBondContact N-O 3.23Å; M63-C71 PolarHBondContact O-N 3.34Å; M63-C71 PolarHBondContact O-SG 3.18Å
64	P	87.4	Confident	87.8	Confident	85 Å²	85	68.6 Å²	68.6	55%	0.552	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	135.3	174.3	28.9	-33.2	0	0	0	111.3	Y44 L70	Y44-P64 WeakPolarHBondContact CE1-O 3.07Å; P64-L70 HydrophobicContact CB-CD2 4.38Å
65	I	79.6	Confident	87.7	Confident	19 Å²	19	74.4 Å²	74.4	10%	0.097	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-38.9	-177.5	-170.4	154.6	0	0	0	115	F37 I40 Y44 H69 C71 P87	F37-I65 HydrophobicContact CB-CD1 3.81Å; F37-I65 HydrophobicContact CD1-CD1 3.99Å; F37-I65 HydrophobicContact CD1-CG1 4.44Å; F37-I65 HydrophobicContact CD1-CG2 3.99Å; F37-I65 HydrophobicContact CE1-CG2 3.66Å; F37-I65 HydrophobicContact CE2-CG2 4.46Å; F37-I65 HydrophobicContact CG-CD1 3.86Å; F37-I65 HydrophobicContact CZ-CG2 3.92Å; I40-I65 HydrophobicContact CB-CD1 4.46Å; I40-I65 HydrophobicContact CD1-CD1 4.13Å; I40-I65 HydrophobicContact CD1-CG1 4.19Å; I40-I65 HydrophobicContact CG2-CD1 4.35Å; I40-I65 HydrophobicContact CG2-CG1 4.26Å; Y44-I65 HydrophobicContact CE1-CB 3.94Å; Y44-I65 HydrophobicContact CE1-CD1 3.99Å; Y44-I65 HydrophobicContact CE1-CG1 3.74Å; Y44-I65 HydrophobicContact CE2-CD1 4.17Å; I65-H69 HydrophobicContact CG2-CB 4.15Å; I65-H69 PolarHBondContact N-O 3.36Å; I65-C71 HydrophobicContact CB-CB 4.28Å; I65-C71 HydrophobicContact CD1-CB 4.18Å; I65-C71 HydrophobicContact CG2-CB 4.11Å; I65-P87 HydrophobicContact CD1-CG 3.62Å
66	L	77.8	Confident	87.6	Confident	91 Å²	91	73.8 Å²	73.8	48%	0.476	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	87.1	-178.1	-70.3	174.9	0	0	0	110	I40 N68 H69	I40-L66 HydrophobicContact CD1-CD1 3.82Å; I40-L66 HydrophobicContact CD1-CD2 4.49Å; I40-L66 HydrophobicContact CD1-CG 4.21Å; L66-N68 PolarHBondContact O-N 2.89Å; L66-H69 HydrophobicContact CB-CB 4.27Å; L66-H69 PolarHBondContact O-CD2 2.71Å; L66-H69 VanDerWaalsContact O-CD2 3.27Å; L66-H69 PolarHBondContact O-N 2.95Å; L66-H69 VanDerWaalsContact O-N 3.11Å
67	G	75.2	Confident	87.8	Confident	82 Å²	82	67.8 Å²	67.8	85%	0.845	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	-105	-179	0	0	0	0	0	111.9
68	N	81	Confident	87.5	Confident	145 Å²	145	64.3 Å²	64.3	78%	0.775	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	3.8	-179.8	66	-29.5	0	0	0	114.4	L66	L66-N68 PolarHBondContact O-N 2.89Å
69	H	84.6	Confident	86.7	Confident	101 Å²	101	68.3 Å²	68.3	47%	0.468	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.8	176.3	-65.6	-75.6	0	0	0	112.1	I65 L66	I65-H69 HydrophobicContact CG2-CB 4.15Å; I65-H69 PolarHBondContact N-O 3.36Å; L66-H69 HydrophobicContact CB-CB 4.27Å; L66-H69 PolarHBondContact O-CD2 2.71Å; L66-H69 VanDerWaalsContact O-CD2 3.27Å; L66-H69 PolarHBondContact O-N 2.95Å; L66-H69 VanDerWaalsContact O-N 3.11Å
70	L	89.8	Confident	85.4	Confident	83 Å²	83	72.4 Å²	72.4	44%	0.435	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.1	174.3	-61.8	177	0	0	0	109.8	T62 M63 P64	T62-L70 HydrophobicContact CG2-CB 4.32Å; T62-L70 HydrophobicContact CG2-CD1 4.41Å; M63-L70 CarbonylContact O-C 3.59Å; M63-L70 WeakPolarHBondContact O-CA 3.09Å; P64-L70 HydrophobicContact CB-CD2 4.38Å
71	C	91.5	Very high	83.7	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	158.2	165.1	68.1	0	0	0	0	109.7	F37 T62 M63 I65 C86	F37-C71 HydrophobicContact CD2-CB 3.93Å; F37-C71 HydrophobicContact CE2-CB 3.98Å; T62-C71 CarbonylContact C-O 3.49Å; T62-C71 WeakPolarHBondContact CA-O 3.07Å; T62-C71 WeakPolarHBondContact CB-O 3.46Å; M63-C71 PolarHBondContact N-O 3.23Å; M63-C71 PolarHBondContact O-N 3.34Å; M63-C71 PolarHBondContact O-SG 3.18Å; I65-C71 HydrophobicContact CB-CB 4.28Å; I65-C71 HydrophobicContact CD1-CB 4.18Å; I65-C71 HydrophobicContact CG2-CB 4.11Å; C71-C86 HydrophobicContact CB-CB 3.88Å; C71-C86 WeakPolarHBondContact CB-SG 3.43Å; C71-C86 PolarHBondContact O-SG 3.36Å; C71-C86 WeakPolarHBondContact SG-CA 3Å; C71-C86 WeakPolarHBondContact SG-CB 3.36Å; C71-C86 CovalentContact SG-SG 2.04Å; C71-C86 PolarHBondContact SG-SG 3.34Å
72	Y	93.8	Very high	82	Confident	65 Å²	65	73.5 Å²	73.5	26%	0.255	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145	-173.5	-68.6	-99.6	0	0	0	112.5	T62 D74 D84 C85 C86	T62-Y72 HydrophobicContact CG2-CD1 3.24Å; T62-Y72 HydrophobicContact CG2-CD2 4.2Å; T62-Y72 HydrophobicContact CG2-CE1 3.15Å; T62-Y72 HydrophobicContact CG2-CE2 4.12Å; T62-Y72 HydrophobicContact CG2-CG 3.78Å; Y72-D74 VanDerWaalsContact CD1-OD2 3.28Å; Y72-D74 WeakPolarHBondContact CD1-OD2 3.48Å; Y72-D84 HydrophobicContact CD2-CB 4.03Å; Y72-D84 PolarHBondContact N-O 2.93Å; Y72-C85 WeakPolarHBondContact O-CA 3.46Å; Y72-C86 PolarHBondContact O-N 3.44Å
73	C	93.4	Very high	81.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.381	C	S	.	.			trans	-114.2	12.6	176.9	-67	0	0	0	0	113	C45 C53 C54 C61	C45-C73 WeakPolarHBondContact CA-SG 3.2Å; C45-C73 HydrophobicContact CB-CB 3.9Å; C45-C73 WeakPolarHBondContact CB-SG 3Å; C45-C73 VanDerWaalsContact SG-CA 3.51Å; C45-C73 WeakPolarHBondContact SG-CB 3.04Å; C45-C73 CovalentContact SG-SG 2.04Å; C45-C73 PolarHBondContact SG-SG 2.02Å; C53-C73 WeakPolarHBondContact CA-O 3.48Å; C53-C73 WeakPolarHBondContact CB-O 3.43Å; C54-C73 PolarHBondContact N-O 3.45Å; C61-C73 PolarHBondContact O-N 3.5Å; C61-C73 VanDerWaalsContact SG-C 3.52Å
74	D	92.6	Very high	80.8	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.011	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-93.4	157.7	172.5	66	76.1	0	0	0	111.8	C54 N56 C61 Y72 F76 C77 F89	C54-D74 HydrophobicContact CB-CB 3.73Å; C54-D74 CarbonylContact O-C 3.58Å; C54-D74 VanDerWaalsContact O-CA 3.28Å; C54-D74 WeakPolarHBondContact O-CA 3.25Å; N56-D74 WeakPolarHBondContact O-CB 3.38Å; C61-D74 HydrophobicContact CB-CB 3.93Å; C61-D74 PolarHBondContact SG-N 3Å; Y72-D74 VanDerWaalsContact CD1-OD2 3.28Å; Y72-D74 WeakPolarHBondContact CD1-OD2 3.48Å; D74-F76 PolarHBondContact O-N 3.23Å; D74-F76 VanDerWaalsContact OD1-CA 3.23Å; D74-F76 WeakPolarHBondContact OD1-CA 3.07Å; D74-F76 WeakPolarHBondContact OD1-CB 3.46Å; D74-F76 PolarHBondContact OD1-N 3.37Å; D74-C77 WeakPolarHBondContact O-CB 3.12Å; D74-C77 PolarHBondContact O-N 2.04Å; D74-C77 PolarHBondContact O-SG 3.25Å; D74-C77 PolarHBondContact OD1-N 2.94Å; D74-C77 VanDerWaalsContact OD1-N 3.12Å; D74-F89 WeakPolarHBondContact O-CE2 3.06Å
75	R	89.4	Confident	81	Confident	144 Å²	144	71.5 Å²	71.5	54%	0.543	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-68.1	-12.8	-179.1	-71.3	-172.6	171	156.3	0	114.9	C54 N55 C77 F89	C54-R75 PolarHBondContact O-N 2.04Å; N55-R75 PolarHBondContact OD1-NH1 3.09Å; R75-C77 VanDerWaalsContact C-N 3.29Å; R75-F89 HydrophobicContact CG-CZ 4.25Å
76	F	87.4	Confident	81.5	Confident	93 Å²	93	70.7 Å²	70.7	41%	0.408	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-80.2	-11.6	176.8	-177.7	-93.1	0	0	0	112.3	R57 D74 K78	R57-F76 HydrophobicContact CB-CB 3.72Å; R57-F76 HydrophobicContact CB-CD1 3.78Å; R57-F76 HydrophobicContact CB-CD2 4.21Å; R57-F76 HydrophobicContact CB-CE1 4.46Å; R57-F76 HydrophobicContact CB-CG 3.65Å; R57-F76 HydrophobicContact CG-CB 4.43Å; R57-F76 HydrophobicContact CG-CD1 3.71Å; R57-F76 HydrophobicContact CG-CE1 4.18Å; R57-F76 HydrophobicContact CG-CG 4.13Å; D74-F76 PolarHBondContact O-N 3.23Å; D74-F76 VanDerWaalsContact OD1-CA 3.23Å; D74-F76 WeakPolarHBondContact OD1-CA 3.07Å; D74-F76 WeakPolarHBondContact OD1-CB 3.46Å; D74-F76 PolarHBondContact OD1-N 3.37Å; F76-K78 PolarHBondContact O-N 3.47Å
77	C	88.8	Confident	81.8	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.027	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.1	177.4	70.5	0	0	0	0	114	D74 R75 R79 D84 C85	D74-C77 WeakPolarHBondContact O-CB 3.12Å; D74-C77 PolarHBondContact O-N 2.04Å; D74-C77 PolarHBondContact O-SG 3.25Å; D74-C77 PolarHBondContact OD1-N 2.94Å; D74-C77 VanDerWaalsContact OD1-N 3.12Å; R75-C77 VanDerWaalsContact C-N 3.29Å; C77-R79 PolarHBondContact O-N 3.2Å; C77-D84 PolarHBondContact O-N 3.26Å; C77-C85 HydrophobicContact CB-CB 3.91Å; C77-C85 WeakPolarHBondContact CB-SG 3.32Å; C77-C85 WeakPolarHBondContact SG-CA 3.42Å; C77-C85 WeakPolarHBondContact SG-CB 2.98Å; C77-C85 CovalentContact SG-SG 2.02Å; C77-C85 PolarHBondContact SG-SG 2.83Å
78	K	81.7	Confident	82.3	Confident	83 Å²	83	65 Å²	65	36%	0.361	32%	0.316	S	S	.	.			trans	-77.5	111.1	176.5	-73.2	-169.9	163.8	-169.9	0	111.4	F76 C85 F89 E94	F76-K78 PolarHBondContact O-N 3.47Å; K78-C85 VanDerWaalsContact CG-SG 3.57Å; K78-C85 PolarHBondContact N-SG 2.76Å; K78-C85 VanDerWaalsContact N-SG 3.44Å; K78-F89 HydrophobicContact CD-CE1 4.24Å; K78-F89 HydrophobicContact CG-CE1 4.26Å; K78-E94 VanDerWaalsContact CE-OE1 3.23Å; K78-E94 WeakPolarHBondContact CE-OE1 3.43Å; K78-E94 WeakPolarHBondContact CE-OE2 3.41Å; K78-E94 IonicContact NZ-OE1 2.75Å; K78-E94 PolarHBondContact NZ-OE1 3.41Å; K78-E94 IonicContact NZ-OE2 2.59Å; K78-E94 PolarHBondContact NZ-OE2 2.97Å
79	R	73.6	Confident	82.8	Confident	143 Å²	143	58.1 Å²	58.1	54%	0.54	28%	0.279	S	S	.	.			trans	-134.5	145.5	176.6	-47.7	176.4	71.6	175.2	0.2	110.2	C77 D81 G82	C77-R79 PolarHBondContact O-N 3.2Å; R79-D81 PolarHBondContact O-N 3.2Å; R79-G82 WeakPolarHBondContact CB-O 3.47Å; R79-G82 PolarHBondContact O-N 2.59Å
80	D	59	Low	82.8	Confident	175 Å²	175	59 Å²	59	94%	0.936	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.7	179	-67.2	-38.2	0	0	0	112.7
81	D	55.5	Low	82.5	Confident	152 Å²	152	56.7 Å²	56.7	81%	0.813	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	8.1	-176.3	-63.1	-34.8	0	0	0	114.2	A34 R79	A34-D81 WeakPolarHBondContact CB-O 3.23Å; R79-D81 PolarHBondContact O-N 3.2Å
82	G	57.6	Low	82.3	Confident	13 Å²	13	58.8 Å²	58.8	13%	0.134	28%	0.284	C	S	.	.			trans	156.6	127	-179.3	0	0	0	0	0	112.7	R79	R79-G82 WeakPolarHBondContact CB-O 3.47Å; R79-G82 PolarHBondContact O-N 2.59Å
83	D	71.7	Confident	82.1	Confident	30 Å²	30	56.4 Å²	56.4	16%	0.16	28%	0.276	C	S	.	.			trans	-95.5	98.1	-179.1	-156.5	-14.8	0	0	0	109.8	G36 C85 R90	G36-D83 WeakPolarHBondContact CA-O 3.19Å; D83-C85 PolarHBondContact O-N 2.02Å; D83-C85 WeakPolarHBondContact OD1-CB 3.4Å; D83-C85 PolarHBondContact OD1-N 2.64Å; D83-C85 PolarHBondContact OD1-SG 3.3Å; D83-R90 IonicContact OD2-NH2 2.64Å
84	D	86.6	Confident	81.8	Confident	68 Å²	68	60 Å²	60	36%	0.364	29%	0.293	S	S	.	.			trans	-83.9	4.8	175.9	-67.9	-35.5	0	0	0	111.8	Y72 C77	Y72-D84 HydrophobicContact CD2-CB 4.03Å; Y72-D84 PolarHBondContact N-O 2.93Å; C77-D84 PolarHBondContact O-N 3.26Å
85	C	90.5	Very high	81.2	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.054	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-63.3	145.5	179.7	-64	0	0	0	0	111.5	Y72 C77 K78 D83 F89	Y72-C85 WeakPolarHBondContact O-CA 3.46Å; C77-C85 HydrophobicContact CB-CB 3.91Å; C77-C85 WeakPolarHBondContact CB-SG 3.32Å; C77-C85 WeakPolarHBondContact SG-CA 3.42Å; C77-C85 WeakPolarHBondContact SG-CB 2.98Å; C77-C85 CovalentContact SG-SG 2.02Å; C77-C85 PolarHBondContact SG-SG 2.83Å; K78-C85 VanDerWaalsContact CG-SG 3.57Å; K78-C85 PolarHBondContact N-SG 2.76Å; K78-C85 VanDerWaalsContact N-SG 3.44Å; D83-C85 PolarHBondContact O-N 2.02Å; D83-C85 WeakPolarHBondContact OD1-CB 3.4Å; D83-C85 PolarHBondContact OD1-N 2.64Å; D83-C85 PolarHBondContact OD1-SG 3.3Å; C85-F89 HydrophobicContact CB-CB 3.85Å; C85-F89 HydrophobicContact CB-CD1 4.22Å; C85-F89 HydrophobicContact CB-CG 3.99Å
86	C	89.6	Confident	80.6	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.02	32%	0.316	C	S	.	.			trans	-61.5	146.4	167.2	-62.6	0	0	0	0	110.9	Y44 C71 Y72 D88 F89	Y44-C86 HydrophobicContact CD2-CB 4.34Å; Y44-C86 HydrophobicContact CG-CB 4.13Å; C71-C86 HydrophobicContact CB-CB 3.88Å; C71-C86 WeakPolarHBondContact CB-SG 3.43Å; C71-C86 PolarHBondContact O-SG 3.36Å; C71-C86 WeakPolarHBondContact SG-CA 3Å; C71-C86 WeakPolarHBondContact SG-CB 3.36Å; C71-C86 CovalentContact SG-SG 2.04Å; C71-C86 PolarHBondContact SG-SG 3.34Å; Y72-C86 PolarHBondContact O-N 3.44Å; C86-D88 PolarHBondContact O-N 3.38Å; C86-D88 VanDerWaalsContact O-N 3.08Å; C86-F89 WeakPolarHBondContact O-CB 3.45Å; C86-F89 PolarHBondContact O-N 2.89Å
87	P	85	Confident	79.2	Confident	40 Å²	40	63.9 Å²	63.9	26%	0.26	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.6	-178	-28.8	33.3	0	0	0	115.3	F37 I40 Y44 I65	F37-P87 HydrophobicContact CB-CG 4.18Å; I40-P87 HydrophobicContact CB-CG 4.06Å; I40-P87 VanDerWaalsContact O-CB 3.26Å; I40-P87 WeakPolarHBondContact O-CB 3.38Å; I40-P87 WeakPolarHBondContact O-CG 3.09Å; Y44-P87 HydrophobicContact CD2-CB 4.49Å; Y44-P87 HydrophobicContact CD2-CG 4.2Å; Y44-P87 HydrophobicContact CE2-CB 4.2Å; Y44-P87 HydrophobicContact CE2-CG 3.72Å; I65-P87 HydrophobicContact CD1-CG 3.62Å
88	D	86.1	Confident	77.4	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.064	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.6	178.2	71	-26.2	0	0	0	113.7	Y44 C45 L46 C86 R90 A91 V92	Y44-D88 WeakPolarHBondContact CB-OD1 3.23Å; Y44-D88 VanDerWaalsContact N-CG 3.3Å; Y44-D88 PolarHBondContact N-OD1 3.42Å; Y44-D88 PolarHBondContact N-OD2 2.88Å; C45-D88 VanDerWaalsContact N-CG 3.32Å; C45-D88 PolarHBondContact N-OD1 3.42Å; C45-D88 PolarHBondContact N-OD2 3.08Å; L46-D88 PolarHBondContact N-OD2 2.97Å; C86-D88 PolarHBondContact O-N 3.38Å; C86-D88 VanDerWaalsContact O-N 3.08Å; D88-R90 PolarHBondContact O-N 3.47Å; D88-A91 WeakPolarHBondContact O-CB 3.37Å; D88-A91 PolarHBondContact O-N 3.31Å; D88-V92 HydrophobicContact CB-CG2 4.16Å; D88-V92 WeakPolarHBondContact O-CG2 3.26Å; D88-V92 PolarHBondContact O-N 3.22Å
89	F	90.2	Very high	75.8	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	37%	0.374	C	S	.	.	H	α-helix	trans	-54.1	-48.1	-176.5	175.3	-93	0	0	0	112.7	D74 R75 K78 C85 C86 A91 V92 C93 E94	D74-F89 WeakPolarHBondContact O-CE2 3.06Å; R75-F89 HydrophobicContact CG-CZ 4.25Å; K78-F89 HydrophobicContact CD-CE1 4.24Å; K78-F89 HydrophobicContact CG-CE1 4.26Å; C85-F89 HydrophobicContact CB-CB 3.85Å; C85-F89 HydrophobicContact CB-CD1 4.22Å; C85-F89 HydrophobicContact CB-CG 3.99Å; C86-F89 WeakPolarHBondContact O-CB 3.45Å; C86-F89 PolarHBondContact O-N 2.89Å; F89-A91 VanDerWaalsContact C-N 3.27Å; F89-A91 PolarHBondContact O-N 2.81Å; F89-V92 PolarHBondContact O-N 2.96Å; F89-C93 HydrophobicContact CD2-CB 3.7Å; F89-C93 WeakPolarHBondContact CD2-SG 3.43Å; F89-C93 HydrophobicContact CE1-CB 4.31Å; F89-C93 HydrophobicContact CE2-CB 3.49Å; F89-C93 VanDerWaalsContact CE2-CB 3.49Å; F89-C93 VanDerWaalsContact CE2-SG 3.55Å; F89-C93 HydrophobicContact CG-CB 4.21Å; F89-C93 HydrophobicContact CZ-CB 3.82Å; F89-C93 WeakPolarHBondContact O-CA 3.49Å; F89-C93 WeakPolarHBondContact O-CB 3.4Å; F89-C93 PolarHBondContact O-N 3.43Å; F89-E94 HydrophobicContact CD1-CG 4.4Å; F89-E94 HydrophobicContact CE1-CG 3.85Å
90	R	86.1	Confident	74.7	Confident	121 Å²	121	67.2 Å²	67.2	46%	0.457	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-35.5	-179.4	-62.7	-169.6	-175.6	173.9	4.4	111.9	D83 D88 E94 G95 I96	D83-R90 IonicContact OD2-NH2 2.64Å; D88-R90 PolarHBondContact O-N 3.47Å; R90-E94 WeakPolarHBondContact CG-OE2 3.48Å; R90-E94 CarbonylContact O-C 3.44Å; R90-E94 WeakPolarHBondContact O-CB 3.34Å; R90-E94 PolarHBondContact O-N 3.2Å; R90-G95 PolarHBondContact O-N 3.38Å; R90-I96 HydrophobicContact CB-CB 4.47Å; R90-I96 HydrophobicContact CB-CD1 4.49Å; R90-I96 PolarHBondContact O-N 3.32Å
91	A	83.2	Confident	74.3	Confident	33 Å²	33	66.1 Å²	66.1	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-70.4	-47.4	177.7	0	0	0	0	0	112	D88 F89 G95 I96 P98	D88-A91 WeakPolarHBondContact O-CB 3.37Å; D88-A91 PolarHBondContact O-N 3.31Å; F89-A91 VanDerWaalsContact C-N 3.27Å; F89-A91 PolarHBondContact O-N 2.81Å; A91-G95 WeakPolarHBondContact O-CA 3.27Å; A91-G95 PolarHBondContact O-N 3.32Å; A91-I96 VanDerWaalsContact CA-O 3.27Å; A91-I96 WeakPolarHBondContact CA-O 3.36Å; A91-P98 HydrophobicContact CB-CG 4Å
92	V	87.2	Confident	74.2	Confident	45 Å²	45	65.4 Å²	65.4	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-84.6	-45.1	-172.3	179.9	0	0	0	0	112.2	C45 L46 V51 D88 F89	C45-V92 HydrophobicContact CB-CB 3.98Å; C45-V92 HydrophobicContact CB-CG1 3.96Å; C45-V92 HydrophobicContact CB-CG2 4.3Å; L46-V92 HydrophobicContact CB-CG2 3.87Å; L46-V92 HydrophobicContact CD1-CG2 4.4Å; V51-V92 HydrophobicContact CG1-CG1 4.38Å; D88-V92 HydrophobicContact CB-CG2 4.16Å; D88-V92 WeakPolarHBondContact O-CG2 3.26Å; D88-V92 PolarHBondContact O-N 3.22Å; F89-V92 PolarHBondContact O-N 2.96Å
93	C	88.7	Confident	74.2	Confident	15 Å²	15	74.1 Å²	74.1	10%	0.101	40%	0.403	C	S	.	.	H	α-helix	trans	-94.8	-24.6	-171.1	-55.4	0	0	0	0	113.9	C53 F89	C53-C93 HydrophobicContact CB-CB 3.57Å; C53-C93 WeakPolarHBondContact CB-SG 3.18Å; C53-C93 WeakPolarHBondContact SG-CA 3.46Å; C53-C93 WeakPolarHBondContact SG-CB 3.15Å; C53-C93 CovalentContact SG-SG 2.02Å; C53-C93 PolarHBondContact SG-SG 2.91Å; F89-C93 HydrophobicContact CD2-CB 3.7Å; F89-C93 WeakPolarHBondContact CD2-SG 3.43Å; F89-C93 HydrophobicContact CE1-CB 4.31Å; F89-C93 HydrophobicContact CE2-CB 3.49Å; F89-C93 VanDerWaalsContact CE2-CB 3.49Å; F89-C93 VanDerWaalsContact CE2-SG 3.55Å; F89-C93 HydrophobicContact CG-CB 4.21Å; F89-C93 HydrophobicContact CZ-CB 3.82Å; F89-C93 WeakPolarHBondContact O-CA 3.49Å; F89-C93 WeakPolarHBondContact O-CB 3.4Å; F89-C93 PolarHBondContact O-N 3.43Å
94	E	87.1	Confident	73.8	Confident	76 Å²	76	73.9 Å²	73.9	36%	0.355	41%	0.408	S	S	.	.	S	Bend	trans	-110.6	-6.2	178.1	-51.3	-168.9	130.1	0	0	113.4	K78 F89 R90 I96	K78-E94 VanDerWaalsContact CE-OE1 3.23Å; K78-E94 WeakPolarHBondContact CE-OE1 3.43Å; K78-E94 WeakPolarHBondContact CE-OE2 3.41Å; K78-E94 IonicContact NZ-OE1 2.75Å; K78-E94 PolarHBondContact NZ-OE1 3.41Å; K78-E94 IonicContact NZ-OE2 2.59Å; K78-E94 PolarHBondContact NZ-OE2 2.97Å; F89-E94 HydrophobicContact CD1-CG 4.4Å; F89-E94 HydrophobicContact CE1-CG 3.85Å; R90-E94 WeakPolarHBondContact CG-OE2 3.48Å; R90-E94 CarbonylContact O-C 3.44Å; R90-E94 WeakPolarHBondContact O-CB 3.34Å; R90-E94 PolarHBondContact O-N 3.2Å; E94-I96 HydrophobicContact CB-CD1 4.12Å; E94-I96 HydrophobicContact CB-CG1 4.01Å; E94-I96 PolarHBondContact O-N 3.37Å
95	G	79.5	Confident	72.8	Confident	54 Å²	54	74.4 Å²	74.4	56%	0.557	42%	0.416	S	S	*	.			trans	65	16	-179.3	0	0	0	0	0	113.9	R90 A91 Q97	R90-G95 PolarHBondContact O-N 3.38Å; A91-G95 WeakPolarHBondContact O-CA 3.27Å; A91-G95 PolarHBondContact O-N 3.32Å; G95-Q97 PolarHBondContact O-N 3.46Å
96	I	77.1	Confident	71.5	Confident	94 Å²	94	80.5 Å²	80.5	48%	0.482	44%	0.444	S	S	.	.			trans	-77.5	105.8	176.2	-58.9	175.3	0	0	0	107.1	R90 A91 E94 P98	R90-I96 HydrophobicContact CB-CB 4.47Å; R90-I96 HydrophobicContact CB-CD1 4.49Å; R90-I96 PolarHBondContact O-N 3.32Å; A91-I96 VanDerWaalsContact CA-O 3.27Å; A91-I96 WeakPolarHBondContact CA-O 3.36Å; E94-I96 HydrophobicContact CB-CD1 4.12Å; E94-I96 HydrophobicContact CB-CG1 4.01Å; E94-I96 PolarHBondContact O-N 3.37Å; I96-P98 WeakPolarHBondContact O-CD 3.42Å; I96-P98 VanDerWaalsContact O-N 3.09Å
97	Q	57.9	Low	70.4	Confident	171 Å²	171	82.1 Å²	82.1	80%	0.799	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-51.1	118.6	175.5	-69.8	-76.6	-46.3	0	0	109.4	G95 S99	G95-Q97 PolarHBondContact O-N 3.46Å; Q97-S99 PolarHBondContact O-N 3.1Å
98	P	50.6	Low	69.2	Low	74 Å²	74	90 Å²	90	48%	0.481	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-61.8	142.9	174	24	-28.6	0	0	0	108	A91 I96	A91-P98 HydrophobicContact CB-CG 4Å; I96-P98 WeakPolarHBondContact O-CD 3.42Å; I96-P98 VanDerWaalsContact O-N 3.09Å
99	S	49.8	Very low	68.4	Low	104 Å²	104	96 Å²	96	73%	0.727	52%	0.517	S	S	*	.	S	Bend	trans	-47.2	136.8	168.4	47.2	0	0	0	0	108.7	Q97 Q101	Q97-S99 PolarHBondContact O-N 3.1Å; S99-Q101 PolarHBondContact O-N 3.06Å
100	P	48.8	Very low	67.2	Low	122 Å²	122	97.9 Å²	97.9	79%	0.792	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-46.7	119.2	-168.7	-26.6	30.8	0	0	0	111.2	M102	P100-M102 PolarHBondContact O-N 3.35Å
101	Q	52.4	Low	66.3	Low	153 Å²	153	95.1 Å²	95.1	72%	0.715	53%	0.533	S	S	*	.			trans	-58.7	114.7	170.1	-80.9	-175.4	-5.6	0	0	106.8	S99 K103	S99-Q101 PolarHBondContact O-N 3.06Å; Q101-K103 PolarHBondContact O-N 2.99Å; Q101-K103 VanDerWaalsContact O-N 3.13Å
102	M	52.3	Low	65.6	Low	137 Å²	137	99.7 Å²	99.7	68%	0.675	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-55.2	124.3	172.9	-74.3	177.1	70.7	0	0	107	P100 A115	P100-M102 PolarHBondContact O-N 3.35Å; M102-A115 HydrophobicContact CB-CB 3.96Å; M102-A115 WeakPolarHBondContact O-CB 3.48Å
103	K	57.7	Low	64.5	Low	196 Å²	196	99 Å²	99	85%	0.852	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-77.2	145	168.1	-68.9	-177.9	179.2	-179.8	0	107.7	Q101	Q101-K103 PolarHBondContact O-N 2.99Å; Q101-K103 VanDerWaalsContact O-N 3.13Å
104	G	63.6	Low	63.2	Low	25 Å²	25	102.2 Å²	102.2	26%	0.258	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-56.4	155.9	167.5	0	0	0	0	0	111.7	Y113	G104-Y113 CarbonylContact C-O 3.53Å; G104-Y113 WeakPolarHBondContact CA-O 3.41Å
105	C	64.6	Low	61.8	Low	79 Å²	79	101.1 Å²	101.1	53%	0.534	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	153.1	178.9	58.2	0	0	0	0	111.1	F112 Y113	C105-F112 CarbonylContact O-C 3.47Å; C105-F112 WeakPolarHBondContact O-CA 3.44Å; C105-Y113 PolarHBondContact N-O 2.89Å; C105-Y113 VanDerWaalsContact N-O 3.11Å; C105-Y113 PolarHBondContact O-N 2.97Å
106	Q	64.6	Low	60.7	Low	136 Å²	136	102.8 Å²	102.8	64%	0.636	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.1	138.5	165.7	-96.2	176	-30.6	0	0	109.6	G110 T111 F112	Q106-G110 PolarHBondContact NE2-O 3.01Å; Q106-T111 VanDerWaalsContact CA-O 3.27Å; Q106-T111 WeakPolarHBondContact CA-O 3.45Å; Q106-F112 HydrophobicContact CG-CB 3.92Å; Q106-F112 HydrophobicContact CG-CD2 4.2Å
107	D	65.7	Low	59.4	Low	36 Å²	36	99.5 Å²	99.5	19%	0.193	57%	0.57	C	S	.	*			trans	-78.5	178.4	169.2	67.1	12.7	0	0	0	112.2	L109 G110 T111 Y113 V121	D107-L109 PolarHBondContact O-N 3.28Å; D107-L109 VanDerWaalsContact O-N 3.14Å; D107-L109 WeakPolarHBondContact OD1-CA 3.4Å; D107-L109 WeakPolarHBondContact OD1-CB 3.4Å; D107-L109 PolarHBondContact OD1-N 3.34Å; D107-G110 PolarHBondContact O-N 3.45Å; D107-G110 PolarHBondContact OD1-N 2.99Å; D107-T111 PolarHBondContact N-O 3.47Å; D107-T111 VanDerWaalsContact N-O 3.08Å; D107-T111 WeakPolarHBondContact OD1-CB 3.48Å; D107-T111 PolarHBondContact OD1-N 3.21Å; D107-T111 PolarHBondContact OD1-OG1 2.96Å; D107-T111 WeakPolarHBondContact OD2-CB 2.9Å; D107-T111 PolarHBondContact OD2-OG1 3.41Å; D107-Y113 HydrophobicContact CB-CE2 3.97Å; D107-Y113 PolarHBondContact OD2-OH 3.49Å; D107-V121 HydrophobicContact CB-CG1 4.41Å
108	E	60.7	Low	58.9	Low	207 Å²	207	98 Å²	98	97%	0.967	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-16	176.8	-63.7	179.2	179.4	0	0	113.5
109	L	69.2	Low	59.1	Low	137 Å²	137	98.7 Å²	98.7	72%	0.717	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-3	176.2	-60.5	170.6	0	0	0	112.3	D107	D107-L109 PolarHBondContact O-N 3.28Å; D107-L109 VanDerWaalsContact O-N 3.14Å; D107-L109 WeakPolarHBondContact OD1-CA 3.4Å; D107-L109 WeakPolarHBondContact OD1-CB 3.4Å; D107-L109 PolarHBondContact OD1-N 3.34Å
110	G	63.6	Low	58.9	Low	40 Å²	40	103.1 Å²	103.1	41%	0.412	58%	0.575	S	S	.	*			trans	82.9	10	-177.3	0	0	0	0	0	114.5	Q106 D107 F112	Q106-G110 PolarHBondContact NE2-O 3.01Å; D107-G110 PolarHBondContact O-N 3.45Å; D107-G110 PolarHBondContact OD1-N 2.99Å; G110-F112 PolarHBondContact O-N 3.24Å
111	T	68.3	Low	58.7	Low	64 Å²	64	98.6 Å²	98.6	39%	0.393	55%	0.545	S	S	.	.			trans	-75.3	119.7	178.2	-43.5	0	0	0	0	110	Q106 D107 Y113	Q106-T111 VanDerWaalsContact CA-O 3.27Å; Q106-T111 WeakPolarHBondContact CA-O 3.45Å; D107-T111 PolarHBondContact N-O 3.47Å; D107-T111 VanDerWaalsContact N-O 3.08Å; D107-T111 WeakPolarHBondContact OD1-CB 3.48Å; D107-T111 PolarHBondContact OD1-N 3.21Å; D107-T111 PolarHBondContact OD1-OG1 2.96Å; D107-T111 WeakPolarHBondContact OD2-CB 2.9Å; D107-T111 PolarHBondContact OD2-OG1 3.41Å; T111-Y113 HydrophobicContact CG2-CE1 4.35Å; T111-Y113 HydrophobicContact CG2-CE2 4.27Å; T111-Y113 WeakPolarHBondContact O-CD2 3.38Å; T111-Y113 WeakPolarHBondContact O-CE2 3.26Å
112	F	68	Low	58.2	Low	129 Å²	129	97.9 Å²	97.9	57%	0.566	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.3	-179.3	179.8	-100.6	0	0	0	111.8	C105 Q106 G110	C105-F112 CarbonylContact O-C 3.47Å; C105-F112 WeakPolarHBondContact O-CA 3.44Å; Q106-F112 HydrophobicContact CG-CB 3.92Å; Q106-F112 HydrophobicContact CG-CD2 4.2Å; G110-F112 PolarHBondContact O-N 3.24Å
113	Y	64.9	Low	57.8	Low	31 Å²	31	95.9 Å²	95.9	12%	0.122	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.3	178.1	-62.8	-76.1	0	0	0	110.2	G104 C105 D107 T111 V121	G104-Y113 CarbonylContact C-O 3.53Å; G104-Y113 WeakPolarHBondContact CA-O 3.41Å; C105-Y113 PolarHBondContact N-O 2.89Å; C105-Y113 VanDerWaalsContact N-O 3.11Å; C105-Y113 PolarHBondContact O-N 2.97Å; D107-Y113 HydrophobicContact CB-CE2 3.97Å; D107-Y113 PolarHBondContact OD2-OH 3.49Å; T111-Y113 HydrophobicContact CG2-CE1 4.35Å; T111-Y113 HydrophobicContact CG2-CE2 4.27Å; T111-Y113 WeakPolarHBondContact O-CD2 3.38Å; T111-Y113 WeakPolarHBondContact O-CE2 3.26Å; Y113-V121 HydrophobicContact CD2-CG2 4.26Å; Y113-V121 HydrophobicContact CE1-CG2 3.77Å; Y113-V121 HydrophobicContact CE2-CG2 3.4Å; Y113-V121 WeakPolarHBondContact OH-CG2 3.2Å
114	P	60.2	Low	57.1	Low	81 Å²	81	90.7 Å²	90.7	53%	0.526	53%	0.526	S	S	.	.			trans	-69.2	146.2	177.6	28.8	-33.3	0	0	0	110.9	G116 G117	P114-G116 PolarHBondContact O-N 3.21Å; P114-G117 PolarHBondContact O-N 3.04Å
115	A	58	Low	56.6	Low	54 Å²	54	91.4 Å²	91.4	45%	0.446	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	133.5	175.9	0	0	0	0	0	111.6	M102 G117	M102-A115 HydrophobicContact CB-CB 3.96Å; M102-A115 WeakPolarHBondContact O-CB 3.48Å; A115-G117 PolarHBondContact O-N 3.15Å; A115-G117 VanDerWaalsContact O-N 3.15Å
116	G	56.2	Low	57	Low	88 Å²	88	89.8 Å²	89.8	91%	0.907	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	-6.1	-178.1	0	0	0	0	0	115.6	P114	P114-G116 PolarHBondContact O-N 3.21Å
117	G	50.1	Low	58	Low	25 Å²	25	84 Å²	84	26%	0.258	49%	0.489	S	S	.	.	S	Bend	trans	-81.2	156.8	175.3	0	0	0	0	0	112.8	P114 A115 Y119	P114-G117 PolarHBondContact O-N 3.04Å; A115-G117 PolarHBondContact O-N 3.15Å; A115-G117 VanDerWaalsContact O-N 3.15Å; G117-Y119 PolarHBondContact O-N 3.27Å; G117-Y119 VanDerWaalsContact O-N 3.13Å
118	P	46.6	Very low	59	Low	140 Å²	140	89.6 Å²	89.6	91%	0.909	51%	0.512	S	S	*	.			trans	-67.4	112.6	174	27.6	-32.4	0	0	0	109.9
119	Y	55.5	Low	60.3	Low	88 Å²	88	82.7 Å²	82.7	35%	0.345	49%	0.489	S	S	.	.			trans	-91.5	138.3	171.7	72.7	-78.9	0	0	0	110.3	G117 V121 N124 T372	G117-Y119 PolarHBondContact O-N 3.27Å; G117-Y119 VanDerWaalsContact O-N 3.13Å; Y119-V121 HydrophobicContact CD2-CG2 4.06Å; Y119-N124 HydrophobicContact CE2-CB 4.05Å; Y119-N124 VanDerWaalsContact CE2-ND2 3.28Å; Y119-N124 WeakPolarHBondContact CE2-ND2 3.48Å; Y119-T372 PolarHBondContact OH-O 3.25Å
120	K	46.4	Very low	61.1	Low	198 Å²	198	78.8 Å²	78.8	86%	0.861	47%	0.472	S	S	*	.			trans	-134.7	60.6	179.2	-141.5	-179	-170.3	-176.4	0	109.8
121	V	44.3	Very low	62.2	Low	26 Å²	26	83.1 Å²	83.1	16%	0.158	49%	0.485	C	S	.	.	S	Bend	trans	-74.3	129.1	166.3	-158.3	0	0	0	0	106.8	D107 Y113 Y119 C123 N124	D107-V121 HydrophobicContact CB-CG1 4.41Å; Y113-V121 HydrophobicContact CD2-CG2 4.26Å; Y113-V121 HydrophobicContact CE1-CG2 3.77Å; Y113-V121 HydrophobicContact CE2-CG2 3.4Å; Y113-V121 WeakPolarHBondContact OH-CG2 3.2Å; Y119-V121 HydrophobicContact CD2-CG2 4.06Å; V121-C123 PolarHBondContact O-N 3.46Å; V121-N124 WeakPolarHBondContact CB-ND2 3.49Å; V121-N124 WeakPolarHBondContact CG2-ND2 3.42Å; V121-N124 VanDerWaalsContact O-CG 3.25Å; V121-N124 PolarHBondContact O-N 3.12Å; V121-N124 PolarHBondContact O-ND2 2.76Å
122	N	41.8	Very low	63.2	Low	138 Å²	138	81.3 Å²	81.3	74%	0.738	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	18.6	70.9	167.1	-70.7	-16.3	0	0	0	115.2	N124	N122-N124 VanDerWaalsContact C-N 3.27Å; N122-N124 PolarHBondContact O-N 3.13Å
123	C	43.5	Very low	64	Low	95 Å²	95	79.6 Å²	79.6	64%	0.642	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	41	51	175.7	-64.9	0	0	0	0	113.9	V121 S125	V121-C123 PolarHBondContact O-N 3.46Å; C123-S125 PolarHBondContact O-N 3.18Å
124	N	43.8	Very low	65	Low	87 Å²	87	80.8 Å²	80.8	47%	0.465	49%	0.492	S	S	.	.			trans	-58.4	75.4	172.6	-79.1	-19.7	0	0	0	111.1	Y119 V121 N122	Y119-N124 HydrophobicContact CE2-CB 4.05Å; Y119-N124 VanDerWaalsContact CE2-ND2 3.28Å; Y119-N124 WeakPolarHBondContact CE2-ND2 3.48Å; V121-N124 WeakPolarHBondContact CB-ND2 3.49Å; V121-N124 WeakPolarHBondContact CG2-ND2 3.42Å; V121-N124 VanDerWaalsContact O-CG 3.25Å; V121-N124 PolarHBondContact O-N 3.12Å; V121-N124 PolarHBondContact O-ND2 2.76Å; N122-N124 VanDerWaalsContact C-N 3.27Å; N122-N124 PolarHBondContact O-N 3.13Å
125	S	53.4	Low	66.3	Low	41 Å²	41	78.8 Å²	78.8	29%	0.287	48%	0.475	S	S	.	.			trans	-63.1	141.8	159.2	59.3	0	0	0	0	107.3	C123 W127	C123-S125 PolarHBondContact O-N 3.18Å; S125-W127 PolarHBondContact O-N 2.86Å; S125-W127 PolarHBondContact OG-O 2.98Å; S125-W127 VanDerWaalsContact OG-O 3.12Å
126	C	71.7	Confident	67.6	Low	44 Å²	44	85.6 Å²	85.6	30%	0.297	49%	0.489	S	S	.	.	S	Bend	trans	-66.1	6.7	-178.3	-51.5	0	0	0	0	113.2	G338 V339 T372	C126-G338 CarbonylContact O-C 3.25Å; C126-G338 WeakPolarHBondContact O-CA 3.29Å; C126-V339 HydrophobicContact CB-CB 4.24Å; C126-V339 PolarHBondContact O-N 2.88Å; C126-T372 HydrophobicContact CB-CG2 4.34Å
127	W	85.9	Confident	69.1	Low	15 Å²	15	85.6 Å²	85.6	6%	0.057	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151	-176	68.1	-87.5	0	0	0	111.7	S125 A129 D331 Y335 S337 Y340 R341 L343	S125-W127 PolarHBondContact O-N 2.86Å; S125-W127 PolarHBondContact OG-O 2.98Å; S125-W127 VanDerWaalsContact OG-O 3.12Å; W127-A129 HydrophobicContact CH2-CB 4.27Å; W127-A129 HydrophobicContact CZ3-CB 3.69Å; W127-D331 HydrophobicContact CH2-CB 4.03Å; W127-D331 WeakPolarHBondContact CH2-O 3.37Å; W127-D331 HydrophobicContact CZ2-CB 4.13Å; W127-Y335 HydrophobicContact CB-CD2 4.15Å; W127-Y335 HydrophobicContact CB-CE2 4.05Å; W127-Y335 HydrophobicContact CD2-CD2 4.32Å; W127-Y335 AromaticContact CE3-CD2 3.96Å; W127-Y335 HydrophobicContact CE3-CD2 3.96Å; W127-Y335 HydrophobicContact CG-CD2 4.43Å; W127-S337 CarbonylContact C-O 3.55Å; W127-S337 WeakPolarHBondContact CA-O 3.36Å; W127-S337 WeakPolarHBondContact CB-O 3.27Å; W127-Y340 HydrophobicContact CD2-CD2 4.02Å; W127-Y340 AromaticContact CE2-CD2 3.8Å; W127-Y340 HydrophobicContact CG-CD2 4.33Å; W127-Y340 HydrophobicContact CH2-CE2 4.48Å; W127-Y340 HydrophobicContact CZ2-CD2 4.14Å; W127-Y340 AromaticContact CZ2-CE2 3.97Å; W127-Y340 HydrophobicContact CZ2-CE2 3.97Å; W127-Y340 AromaticContact NE1-CD2 3.92Å; W127-R341 PolarHBondContact NE1-O 2.91Å; W127-L343 HydrophobicContact CZ2-CD1 4.03Å; W127-L343 HydrophobicContact CZ2-CG 4.29Å
128	K	86.4	Confident	71	Confident	154 Å²	154	87 Å²	87	67%	0.67	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.8	179.8	-63.5	-177.4	-179.7	-177.3	0	109.8	K336 S337	K128-K336 WeakPolarHBondContact O-CA 3.47Å; K128-K336 VanDerWaalsContact O-CB 3.31Å; K128-K336 WeakPolarHBondContact O-CB 3.27Å; K128-K336 PolarHBondContact O-N 3.48Å; K128-S337 PolarHBondContact N-O 3.08Å; K128-S337 PolarHBondContact O-N 2.96Å
129	A	87.7	Confident	73.1	Confident	61 Å²	61	83.9 Å²	83.9	50%	0.504	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	152	171.4	0	0	0	0	0	111.1	W127 M334	W127-A129 HydrophobicContact CH2-CB 4.27Å; W127-A129 HydrophobicContact CZ3-CB 3.69Å; A129-M334 CarbonylContact C-O 3.48Å; A129-M334 WeakPolarHBondContact CA-O 3.35Å; A129-M334 HydrophobicContact CB-CB 4.02Å
130	T	86.7	Confident	74.9	Confident	56 Å²	56	81.9 Å²	81.9	34%	0.344	46%	0.462	S	S	.	.			trans	-144.2	159.3	167.4	-166.1	0	0	0	0	110.7	Y132 M334 K336	T130-Y132 HydrophobicContact CG2-CD1 4.17Å; T130-Y132 HydrophobicContact CG2-CD2 4.09Å; T130-Y132 HydrophobicContact CG2-CE1 3.61Å; T130-Y132 HydrophobicContact CG2-CE2 3.54Å; T130-Y132 HydrophobicContact CG2-CG 4.38Å; T130-M334 PolarHBondContact N-O 2.88Å; T130-K336 HydrophobicContact CG2-CB 3.81Å; T130-K336 HydrophobicContact CG2-CD 3.83Å; T130-K336 HydrophobicContact CG2-CG 3.96Å
131	N	87.3	Confident	77.1	Confident	131 Å²	131	76.5 Å²	76.5	70%	0.701	44%	0.443	S	S	*	.			trans	-82.8	137.5	167.2	-67.4	-37	0	0	0	109.9
132	Y	88.7	Confident	79.5	Confident	26 Å²	26	77.5 Å²	77.5	10%	0.102	45%	0.448	C	S	.	.			trans	-112	128.7	176	-65.9	-78.1	0	0	0	110.3	T130 A134 F135 W136 Y335 K336 D388 W389 G390	T130-Y132 HydrophobicContact CG2-CD1 4.17Å; T130-Y132 HydrophobicContact CG2-CD2 4.09Å; T130-Y132 HydrophobicContact CG2-CE1 3.61Å; T130-Y132 HydrophobicContact CG2-CE2 3.54Å; T130-Y132 HydrophobicContact CG2-CG 4.38Å; Y132-A134 PolarHBondContact O-N 3.3Å; Y132-F135 HydrophobicContact CD2-CD2 4.05Å; Y132-F135 AromaticContact CD2-CE2 3.89Å; Y132-F135 HydrophobicContact CD2-CE2 3.89Å; Y132-F135 HydrophobicContact CG-CD2 4.29Å; Y132-F135 HydrophobicContact CG-CE2 4.27Å; Y132-F135 PolarHBondContact O-N 3Å; Y132-W136 VanDerWaalsContact O-CD1 3.25Å; Y132-Y335 WeakPolarHBondContact CE2-O 3.24Å; Y132-Y335 PolarHBondContact OH-O 3.45Å; Y132-K336 HydrophobicContact CE1-CD 4.47Å; Y132-K336 WeakPolarHBondContact OH-CA 3.41Å; Y132-K336 WeakPolarHBondContact OH-CD 3.49Å; Y132-D388 WeakPolarHBondContact CE1-O 3.5Å; Y132-W389 AromaticContact CD2-CD1 3.79Å; Y132-W389 HydrophobicContact CE1-CB 4.4Å; Y132-W389 AromaticContact CE2-CD1 3.41Å; Y132-W389 VanDerWaalsContact CE2-CD1 3.41Å; Y132-W389 HydrophobicContact CE2-CG 4.35Å; Y132-W389 AromaticContact CE2-NE1 3.7Å; Y132-W389 AromaticContact CZ-CD1 3.63Å; Y132-G390 PolarHBondContact OH-N 3.04Å
133	S	85.6	Confident	82.1	Confident	92 Å²	92	71.1 Å²	71.1	64%	0.643	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-58.3	-32.4	175.6	53.5	0	0	0	0	112.4	F135 W136	S133-F135 PolarHBondContact O-N 3.48Å; S133-F135 VanDerWaalsContact O-N 3.1Å; S133-W136 WeakPolarHBondContact O-CB 3.28Å; S133-W136 PolarHBondContact O-N 2.91Å
134	A	85.1	Confident	84.6	Confident	57 Å²	57	68.3 Å²	68.3	47%	0.471	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-60.9	-16.9	175.7	0	0	0	0	0	114.4	Y132 Q138	Y132-A134 PolarHBondContact O-N 3.3Å; A134-Q138 PolarHBondContact O-NE2 3.16Å
135	F	88	Confident	87	Confident	38 Å²	38	68.9 Å²	68.9	17%	0.167	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-106.8	-0	175.9	-57.7	-40.4	0	0	0	113.3	Y132 S133 G137 Q138 R147 F333 W385 W389	Y132-F135 HydrophobicContact CD2-CD2 4.05Å; Y132-F135 AromaticContact CD2-CE2 3.89Å; Y132-F135 HydrophobicContact CD2-CE2 3.89Å; Y132-F135 HydrophobicContact CG-CD2 4.29Å; Y132-F135 HydrophobicContact CG-CE2 4.27Å; Y132-F135 PolarHBondContact O-N 3Å; S133-F135 PolarHBondContact O-N 3.48Å; S133-F135 VanDerWaalsContact O-N 3.1Å; F135-G137 PolarHBondContact O-N 3.03Å; F135-Q138 WeakPolarHBondContact O-CB 3.44Å; F135-Q138 PolarHBondContact O-N 3.48Å; F135-Q138 VanDerWaalsContact O-N 3.07Å; F135-R147 HydrophobicContact CE1-CG 4.12Å; F135-F333 WeakPolarHBondContact CE2-O 3.39Å; F135-W385 HydrophobicContact CZ-CE3 4.25Å; F135-W389 AromaticContact CE2-CD1 3.95Å
136	W	85.1	Confident	89.1	Confident	197 Å²	197	69 Å²	69	75%	0.746	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	133.6	178.1	-73.4	7.1	0	0	0	111.1	Y132 S133 Q138	Y132-W136 VanDerWaalsContact O-CD1 3.25Å; S133-W136 WeakPolarHBondContact O-CB 3.28Å; S133-W136 PolarHBondContact O-N 2.91Å; W136-Q138 PolarHBondContact O-N 2.94Å
137	G	88	Confident	90.3	Very high	88 Å²	88	67.4 Å²	67.4	91%	0.907	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-2	-176.1	0	0	0	0	0	114.9	F135	F135-G137 PolarHBondContact O-N 3.03Å
138	Q	89	Confident	90.8	Very high	54 Å²	54	66.9 Å²	66.9	25%	0.252	37%	0.373	S	S	.	.			trans	-91	142.8	174.5	-58.2	-166.4	2.8	0	0	110.9	A134 F135 W136 D142 N193	A134-Q138 PolarHBondContact O-NE2 3.16Å; F135-Q138 WeakPolarHBondContact O-CB 3.44Å; F135-Q138 PolarHBondContact O-N 3.48Å; F135-Q138 VanDerWaalsContact O-N 3.07Å; W136-Q138 PolarHBondContact O-N 2.94Å; Q138-D142 HydrophobicContact CB-CB 4.12Å; Q138-N193 PolarHBondContact NE2-OD1 3.46Å
139	T	92.6	Very high	91.3	Very high	75 Å²	75	60 Å²	60	46%	0.46	35%	0.347	S	S	.	.			trans	-83.2	164	170.9	66.7	0	0	0	0	111	D141 D142 G143	T139-D141 PolarHBondContact O-N 3.06Å; T139-D141 PolarHBondContact OG1-N 3Å; T139-D142 WeakPolarHBondContact CB-OD2 3.46Å; T139-D142 PolarHBondContact N-OD2 3.47Å; T139-D142 WeakPolarHBondContact O-CB 3.46Å; T139-D142 PolarHBondContact O-N 2.78Å; T139-D142 VanDerWaalsContact O-N 3.09Å; T139-D142 PolarHBondContact OG1-N 3.13Å; T139-D142 VanDerWaalsContact OG1-N 3.1Å; T139-D142 PolarHBondContact OG1-OD2 2.87Å; T139-G143 PolarHBondContact O-N 3.25Å
140	L	91.3	Very high	91.7	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-31.3	170.7	179.4	59.4	0	0	0	111.7	G143 V144 E330 F333 Y353 K355	L140-G143 PolarHBondContact O-N 2.6Å; L140-V144 WeakPolarHBondContact O-CG2 3.11Å; L140-V144 PolarHBondContact O-N 3.13Å; L140-E330 HydrophobicContact CD1-CB 3.84Å; L140-E330 HydrophobicContact CD2-CB 3.72Å; L140-E330 HydrophobicContact CG-CB 4.46Å; L140-F333 HydrophobicContact CD1-CD2 4.02Å; L140-F333 HydrophobicContact CD1-CE2 3.91Å; L140-Y353 WeakPolarHBondContact CD2-O 3.32Å; L140-K355 HydrophobicContact CD2-CB 3.62Å; L140-K355 HydrophobicContact CD2-CD 4.11Å; L140-K355 HydrophobicContact CD2-CG 3.7Å; L140-K355 HydrophobicContact CG-CB 3.83Å; L140-K355 HydrophobicContact CG-CD 4.09Å; L140-K355 HydrophobicContact CG-CG 4.11Å
141	D	94.5	Very high	92.2	Very high	86 Å²	86	56.5 Å²	56.5	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-42.5	172.5	-76	-52.8	0	0	0	112.7	T139 G143 V144 K145 K355	T139-D141 PolarHBondContact O-N 3.06Å; T139-D141 PolarHBondContact OG1-N 3Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.02Å; D141-V144 PolarHBondContact O-N 3.22Å; D141-K145 WeakPolarHBondContact O-CB 3.27Å; D141-K145 PolarHBondContact O-N 3.25Å; D141-K355 VanDerWaalsContact OD1-CD 3.28Å; D141-K355 WeakPolarHBondContact OD1-CD 3.43Å; D141-K355 WeakPolarHBondContact OD1-CE 2.84Å; D141-K355 IonicContact OD1-NZ 3.06Å; D141-K355 PolarHBondContact OD1-NZ 2.81Å; D141-K355 IonicContact OD2-NZ 3.88Å; D141-K355 PolarHBondContact OD2-NZ 2.93Å
142	D	94.7	Very high	92.2	Very high	46 Å²	46	53.4 Å²	53.4	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-41.9	175	-63.2	-50.9	0	0	0	110.5	Q138 T139 K145 Y146	Q138-D142 HydrophobicContact CB-CB 4.12Å; T139-D142 WeakPolarHBondContact CB-OD2 3.46Å; T139-D142 PolarHBondContact N-OD2 3.47Å; T139-D142 WeakPolarHBondContact O-CB 3.46Å; T139-D142 PolarHBondContact O-N 2.78Å; T139-D142 VanDerWaalsContact O-N 3.09Å; T139-D142 PolarHBondContact OG1-N 3.13Å; T139-D142 VanDerWaalsContact OG1-N 3.1Å; T139-D142 PolarHBondContact OG1-OD2 2.87Å; D142-K145 PolarHBondContact O-N 2.91Å; D142-Y146 HydrophobicContact CB-CD2 3.91Å; D142-Y146 HydrophobicContact CB-CE2 4Å; D142-Y146 WeakPolarHBondContact O-CB 3.49Å; D142-Y146 WeakPolarHBondContact O-CD2 3.37Å; D142-Y146 PolarHBondContact O-N 2.77Å
143	G	95	Very high	92	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-56	-53.2	172.9	0	0	0	0	0	112	T139 L140 D141 K145 R147 F333	T139-G143 PolarHBondContact O-N 3.25Å; L140-G143 PolarHBondContact O-N 2.6Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.02Å; G143-K145 VanDerWaalsContact C-N 3.34Å; G143-K145 PolarHBondContact O-N 3.4Å; G143-R147 WeakPolarHBondContact O-CA 3.37Å; G143-R147 WeakPolarHBondContact O-CB 3.27Å; G143-R147 PolarHBondContact O-N 3.36Å; G143-F333 VanDerWaalsContact C-CE1 3.46Å
144	V	95.8	Very high	92	Very high	36 Å²	36	51.3 Å²	51.3	22%	0.218	28%	0.278	C	S	.	.	I	π-helix	trans	-59.1	-45.2	178.2	169.5	0	0	0	0	111.5	L140 D141 L148 F333 K355	L140-V144 WeakPolarHBondContact O-CG2 3.11Å; L140-V144 PolarHBondContact O-N 3.13Å; D141-V144 PolarHBondContact O-N 3.22Å; V144-L148 HydrophobicContact CB-CD1 4.3Å; V144-L148 HydrophobicContact CG1-CD1 4.15Å; V144-L148 HydrophobicContact CG2-CD1 4.15Å; V144-L148 WeakPolarHBondContact O-CB 3.47Å; V144-F333 HydrophobicContact CG2-CE2 4.48Å; V144-F333 HydrophobicContact CG2-CZ 4.27Å; V144-K355 HydrophobicContact CG2-CB 4.1Å
145	K	95.9	Very high	91.9	Very high	99 Å²	99	58 Å²	58	43%	0.43	29%	0.291	S	S	.	.	I	π-helix	trans	-66.4	-50.9	-177.7	-178.2	-176.7	177.1	-167.8	0	112.4	D141 D142 G143	D141-K145 WeakPolarHBondContact O-CB 3.27Å; D141-K145 PolarHBondContact O-N 3.25Å; D142-K145 PolarHBondContact O-N 2.91Å; G143-K145 VanDerWaalsContact C-N 3.34Å; G143-K145 PolarHBondContact O-N 3.4Å
146	Y	96	Very high	91.6	Very high	42 Å²	42	60.2 Å²	60.2	17%	0.165	31%	0.311	C	S	.	.	I	π-helix	trans	-93.7	-27	-169.1	-61.9	-57.6	0	0	0	113.8	D142 Q191 N193 C194 G195	D142-Y146 HydrophobicContact CB-CD2 3.91Å; D142-Y146 HydrophobicContact CB-CE2 4Å; D142-Y146 WeakPolarHBondContact O-CB 3.49Å; D142-Y146 WeakPolarHBondContact O-CD2 3.37Å; D142-Y146 PolarHBondContact O-N 2.77Å; Y146-Q191 PolarHBondContact O-NE2 3.39Å; Y146-N193 HydrophobicContact CD1-CB 4.43Å; Y146-N193 VanDerWaalsContact CD1-O 3.24Å; Y146-N193 WeakPolarHBondContact CD1-O 3.22Å; Y146-N193 HydrophobicContact CG-CB 4.29Å; Y146-C194 CarbonylContact O-C 3.54Å; Y146-G195 WeakPolarHBondContact O-CA 3.4Å; Y146-G195 PolarHBondContact O-N 3.37Å
147	R	96.7	Very high	91.5	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.045	28%	0.281	C	S	.	.	I	π-helix	trans	-100.2	-24.8	-174.2	-55.7	-60.8	-174.6	158.7	6.8	113.6	F135 G143 D190 Q191 G192 F333 H359 W385	F135-R147 HydrophobicContact CE1-CG 4.12Å; G143-R147 WeakPolarHBondContact O-CA 3.37Å; G143-R147 WeakPolarHBondContact O-CB 3.27Å; G143-R147 PolarHBondContact O-N 3.36Å; R147-D190 IonicContact NH1-OD1 3.06Å; R147-D190 PolarHBondContact NH1-OD1 3.19Å; R147-D190 VanDerWaalsContact NH1-OD1 3.1Å; R147-Q191 VanDerWaalsContact C-NE2 3.33Å; R147-Q191 PolarHBondContact O-NE2 2.9Å; R147-Q191 PolarHBondContact O-OE1 2.56Å; R147-G192 PolarHBondContact NH1-O 3.07Å; R147-F333 HydrophobicContact CB-CE1 4.03Å; R147-F333 HydrophobicContact CG-CE1 4.41Å; R147-H359 PolarHBondContact O-CE1 3.03Å; R147-H359 PolarHBondContact O-ND1 3.3Å; R147-W385 HydrophobicContact CB-CD2 4.44Å; R147-W385 HydrophobicContact CB-CZ2 3.82Å; R147-W385 PolarHBondContact O-NE1 2.85Å
148	L	97	Very high	91.2	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.252	C	S	.	.	I	π-helix	trans	-88.4	-74.9	-178.1	-48.9	-172.4	0	0	0	112.1	V144 T150 S197 V328 F333 H359 W385	V144-L148 HydrophobicContact CB-CD1 4.3Å; V144-L148 HydrophobicContact CG1-CD1 4.15Å; V144-L148 HydrophobicContact CG2-CD1 4.15Å; V144-L148 WeakPolarHBondContact O-CB 3.47Å; L148-T150 VanDerWaalsContact C-N 3.25Å; L148-T150 PolarHBondContact O-N 3.19Å; L148-S197 WeakPolarHBondContact O-CB 3.22Å; L148-S197 PolarHBondContact O-OG 3.32Å; L148-V328 HydrophobicContact CD1-CB 4.05Å; L148-V328 HydrophobicContact CD1-CG1 4.26Å; L148-V328 HydrophobicContact CD2-CB 3.66Å; L148-V328 HydrophobicContact CD2-CG1 3.55Å; L148-V328 HydrophobicContact CD2-CG2 3.9Å; L148-F333 HydrophobicContact CD1-CZ 4.35Å; L148-F333 HydrophobicContact CD2-CE1 4.36Å; L148-F333 HydrophobicContact CD2-CZ 3.88Å; L148-F333 HydrophobicContact CG-CZ 4.17Å; L148-H359 HydrophobicContact CB-CB 4.27Å; L148-H359 HydrophobicContact CD2-CB 4.01Å; L148-H359 PolarHBondContact O-ND1 3.45Å; L148-W385 HydrophobicContact CD2-CH2 4.35Å; L148-W385 HydrophobicContact CD2-CZ2 3.88Å
149	G	96.4	Very high	90.9	Very high	11 Å²	11	53.4 Å²	53.4	11%	0.113	27%	0.267	C	S	.	.			trans	70.8	-7.3	169	0	0	0	0	0	118.2	G195 G240 G241	G149-G195 VanDerWaalsContact CA-O 3.32Å; G149-G195 WeakPolarHBondContact CA-O 3.36Å; G149-G240 CarbonylContact O-C 3.59Å; G149-G240 WeakPolarHBondContact O-CA 3.33Å; G149-G241 PolarHBondContact O-N 2.76Å
150	T	97.6	Very high	90.5	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.043	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-90.1	122.5	175.3	-67.3	0	0	0	0	110	L148 S197 W198 L243 T325 Y358 S360	L148-T150 VanDerWaalsContact C-N 3.25Å; L148-T150 PolarHBondContact O-N 3.19Å; T150-S197 PolarHBondContact N-OG 3.16Å; T150-S197 PolarHBondContact OG1-OG 3.11Å; T150-W198 PolarHBondContact OG1-N 2.93Å; T150-L243 HydrophobicContact CG2-CD2 4.19Å; T150-L243 HydrophobicContact CG2-CG 4.18Å; T150-T325 HydrophobicContact CG2-CG2 3.97Å; T150-Y358 PolarHBondContact N-O 2.94Å; T150-Y358 WeakPolarHBondContact O-CB 3.39Å; T150-S360 VanDerWaalsContact OG1-CB 3.28Å; T150-S360 WeakPolarHBondContact OG1-CB 3.22Å; T150-S360 PolarHBondContact OG1-N 2.87Å; T150-S360 PolarHBondContact OG1-OG 3.44Å
151	L	95.6	Very high	90.1	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.183	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-80.2	133.3	171.6	-59.5	178.7	0	0	0	109.1	G241 Y242	L151-G241 PolarHBondContact N-O 3.32Å; L151-Y242 HydrophobicContact CB-CD1 3.65Å; L151-Y242 HydrophobicContact CB-CD2 4.37Å; L151-Y242 HydrophobicContact CB-CE1 3.55Å; L151-Y242 HydrophobicContact CB-CE2 4.28Å; L151-Y242 HydrophobicContact CB-CG 4.08Å; L151-Y242 HydrophobicContact CD1-CD2 3.95Å; L151-Y242 HydrophobicContact CD1-CE1 4.3Å; L151-Y242 HydrophobicContact CD1-CE2 3.55Å; L151-Y242 HydrophobicContact CD1-CG 4.48Å
152	Y	88.4	Confident	89.9	Confident	66 Å²	66	57.3 Å²	57.3	26%	0.259	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-61.9	137.8	-178.3	-164.1	-124.1	0	0	0	111.1	K158 Y242 Y358	Y152-K158 HydrophobicContact CD1-CD 4.22Å; Y152-K158 HydrophobicContact CE1-CD 3.48Å; Y152-K158 VanDerWaalsContact CE1-CD 3.48Å; Y152-Y242 VanDerWaalsContact O-CE1 3.3Å; Y152-Y242 WeakPolarHBondContact O-CE1 3.28Å; Y152-Y358 HydrophobicContact CD1-CE2 4.11Å; Y152-Y358 AromaticContact CD2-CD1 3.5Å; Y152-Y358 HydrophobicContact CD2-CD1 3.5Å; Y152-Y358 VanDerWaalsContact CD2-CD1 3.5Å; Y152-Y358 AromaticContact CD2-CD2 3.55Å; Y152-Y358 HydrophobicContact CD2-CD2 3.55Å; Y152-Y358 AromaticContact CD2-CE1 3.34Å; Y152-Y358 HydrophobicContact CD2-CE1 3.34Å; Y152-Y358 AromaticContact CD2-CE2 3.35Å; Y152-Y358 HydrophobicContact CD2-CE2 3.35Å; Y152-Y358 AromaticContact CD2-CG 3.59Å; Y152-Y358 HydrophobicContact CD2-CG 3.59Å; Y152-Y358 AromaticContact CD2-CZ 3.26Å; Y152-Y358 AromaticContact CE2-CD1 3.89Å; Y152-Y358 HydrophobicContact CE2-CD1 3.89Å; Y152-Y358 HydrophobicContact CE2-CD2 4.43Å; Y152-Y358 AromaticContact CE2-CE1 3.3Å; Y152-Y358 HydrophobicContact CE2-CE1 3.3Å; Y152-Y358 AromaticContact CE2-CE2 3.88Å; Y152-Y358 HydrophobicContact CE2-CE2 3.88Å; Y152-Y358 HydrophobicContact CE2-CG 4.41Å; Y152-Y358 AromaticContact CE2-CZ 3.28Å; Y152-Y358 HydrophobicContact CG-CD1 4.48Å; Y152-Y358 AromaticContact CG-CD2 3.72Å; Y152-Y358 HydrophobicContact CG-CD2 3.72Å; Y152-Y358 HydrophobicContact CG-CE1 4.33Å; Y152-Y358 AromaticContact CG-CE2 3.5Å; Y152-Y358 HydrophobicContact CG-CE2 3.5Å; Y152-Y358 VanDerWaalsContact CG-CE2 3.5Å; Y152-Y358 HydrophobicContact CG-CG 4.18Å; Y152-Y358 AromaticContact CG-CZ 3.84Å; Y152-Y358 AromaticContact CZ-CZ 3.85Å
153	P	83.1	Confident	89.6	Confident	6 Å²	6	57.9 Å²	57.9	4%	0.039	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.7	-176.3	-21.1	31.2	0	0	0	113.3	V157 K158 F409	P153-V157 HydrophobicContact CB-CB 3.98Å; P153-V157 HydrophobicContact CB-CG1 3.84Å; P153-K158 HydrophobicContact CB-CG 3.95Å; P153-K158 WeakPolarHBondContact O-CD 3.49Å; P153-K158 WeakPolarHBondContact O-CE 3.36Å; P153-F409 HydrophobicContact CB-CE1 4.26Å; P153-F409 HydrophobicContact CB-CE2 4.4Å; P153-F409 HydrophobicContact CB-CZ 4.13Å; P153-F409 HydrophobicContact CG-CD1 3.61Å; P153-F409 HydrophobicContact CG-CD2 4.32Å; P153-F409 HydrophobicContact CG-CE1 3.45Å; P153-F409 VanDerWaalsContact CG-CE1 3.45Å; P153-F409 HydrophobicContact CG-CE2 4.22Å; P153-F409 HydrophobicContact CG-CG 4.05Å; P153-F409 HydrophobicContact CG-CZ 3.8Å
154	E	86.9	Confident	89.1	Confident	68 Å²	68	64.3 Å²	64.3	32%	0.318	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-61.6	158.3	173.2	-57.4	-165.2	124.8	0	0	111.4	S156 V157 K158 R234 Y242	E154-S156 PolarHBondContact O-N 2.75Å; E154-S156 VanDerWaalsContact O-N 3.16Å; E154-V157 PolarHBondContact O-N 3.45Å; E154-K158 PolarHBondContact O-N 2.92Å; E154-R234 IonicContact OE1-CZ 3.74Å; E154-R234 IonicContact OE1-NH1 3.67Å; E154-R234 IonicContact OE1-NH2 3.44Å; E154-R234 PolarHBondContact OE1-NH2 3.16Å; E154-R234 IonicContact OE2-CZ 3.1Å; E154-R234 IonicContact OE2-NH1 3.78Å; E154-R234 PolarHBondContact OE2-NH1 2.72Å; E154-R234 IonicContact OE2-NH2 2.77Å; E154-R234 PolarHBondContact OE2-NH2 3.19Å; E154-Y242 HydrophobicContact CG-CE1 4.43Å
155	R	83.3	Confident	88.7	Confident	198 Å²	198	63.7 Å²	63.7	75%	0.747	31%	0.312	S	S	*	.	H	α-helix	trans	-53.4	-39.6	-178	-167.6	176.6	-176.8	-173.4	0.1	113.2	V157 K158 N159	R155-V157 VanDerWaalsContact C-N 3.34Å; R155-V157 PolarHBondContact O-N 2.87Å; R155-K158 PolarHBondContact O-N 2.76Å; R155-N159 WeakPolarHBondContact O-CB 3.01Å; R155-N159 PolarHBondContact O-N 3.37Å; R155-N159 PolarHBondContact O-ND2 3.46Å; R155-N159 PolarHBondContact O-OD1 3.29Å
156	S	81.2	Confident	88.2	Confident	85 Å²	85	61.3 Å²	61.3	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-64.6	-36.6	177.4	54.5	0	0	0	0	113.1	E154 M160	E154-S156 PolarHBondContact O-N 2.75Å; E154-S156 VanDerWaalsContact O-N 3.16Å; S156-M160 PolarHBondContact O-N 2.96Å
157	V	83.6	Confident	87.5	Confident	17 Å²	17	61 Å²	61	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-74	-39.2	178.1	-179.9	0	0	0	0	110.6	P153 E154 R155 N159 M160 D244 F409	P153-V157 HydrophobicContact CB-CB 3.98Å; P153-V157 HydrophobicContact CB-CG1 3.84Å; E154-V157 PolarHBondContact O-N 3.45Å; R155-V157 VanDerWaalsContact C-N 3.34Å; R155-V157 PolarHBondContact O-N 2.87Å; V157-N159 VanDerWaalsContact C-N 3.26Å; V157-N159 PolarHBondContact O-N 3.13Å; V157-M160 WeakPolarHBondContact O-CB 3.21Å; V157-M160 PolarHBondContact O-N 3.35Å; V157-M160 VanDerWaalsContact O-N 3.13Å; V157-D244 HydrophobicContact CG1-CB 4Å; V157-D244 HydrophobicContact CG2-CB 3.94Å; V157-F409 HydrophobicContact CG1-CE2 3.96Å; V157-F409 HydrophobicContact CG1-CZ 3.57Å
158	K	81.7	Confident	86.7	Confident	70 Å²	70	62 Å²	62	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-36.8	173.8	-66.3	-173.1	-67.2	-174.7	0	112.1	Y152 P153 E154 R155 M160 R304	Y152-K158 HydrophobicContact CD1-CD 4.22Å; Y152-K158 HydrophobicContact CE1-CD 3.48Å; Y152-K158 VanDerWaalsContact CE1-CD 3.48Å; P153-K158 HydrophobicContact CB-CG 3.95Å; P153-K158 WeakPolarHBondContact O-CD 3.49Å; P153-K158 WeakPolarHBondContact O-CE 3.36Å; E154-K158 PolarHBondContact O-N 2.92Å; R155-K158 PolarHBondContact O-N 2.76Å; K158-M160 PolarHBondContact O-N 3.45Å; K158-R304 PolarHBondContact O-NH1 3.43Å
159	N	82.3	Confident	86	Confident	108 Å²	108	67.1 Å²	67.1	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	10.7	177.7	-63.5	-4.1	0	0	0	113.4	R155 V157 N161	R155-N159 WeakPolarHBondContact O-CB 3.01Å; R155-N159 PolarHBondContact O-N 3.37Å; R155-N159 PolarHBondContact O-ND2 3.46Å; R155-N159 PolarHBondContact O-OD1 3.29Å; V157-N159 VanDerWaalsContact C-N 3.26Å; V157-N159 PolarHBondContact O-N 3.13Å; N159-N161 PolarHBondContact O-N 3.44Å
160	M	83.3	Confident	85.8	Confident	60 Å²	60	72.7 Å²	72.7	30%	0.296	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-60.6	131.6	172.3	173.9	167.1	37.6	0	0	109.7	S156 V157 K158 E162 R304	S156-M160 PolarHBondContact O-N 2.96Å; V157-M160 WeakPolarHBondContact O-CB 3.21Å; V157-M160 PolarHBondContact O-N 3.35Å; V157-M160 VanDerWaalsContact O-N 3.13Å; K158-M160 PolarHBondContact O-N 3.45Å; M160-E162 PolarHBondContact O-N 3.01Å; M160-R304 HydrophobicContact CE-CB 4.13Å; M160-R304 HydrophobicContact CG-CB 4.36Å
161	N	83.7	Confident	85.6	Confident	148 Å²	148	73.7 Å²	73.7	79%	0.791	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-55.8	130.3	176.7	-68.5	-20.9	0	0	0	110.8	N159	N159-N161 PolarHBondContact O-N 3.44Å
162	E	89.3	Confident	85.6	Confident	81 Å²	81	74.6 Å²	74.6	38%	0.379	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-70	141.3	174.2	-65.7	164.1	-164.1	0	0	109.4	M160 L164 R304 S306	M160-E162 PolarHBondContact O-N 3.01Å; E162-L164 PolarHBondContact O-N 3.23Å; E162-R304 CarbonylContact C-O 3.52Å; E162-R304 WeakPolarHBondContact CA-O 3.35Å; E162-R304 HydrophobicContact CG-CB 4.49Å; E162-R304 HydrophobicContact CG-CG 4.12Å; E162-R304 IonicContact OE1-CZ 2.73Å; E162-R304 IonicContact OE1-NH1 3.97Å; E162-R304 PolarHBondContact OE1-NH1 3.05Å; E162-R304 IonicContact OE1-NH2 3.05Å; E162-R304 PolarHBondContact OE1-NH2 2.86Å; E162-R304 VanDerWaalsContact OE1-NH2 3.16Å; E162-S306 VanDerWaalsContact OE2-CA 3.27Å; E162-S306 WeakPolarHBondContact OE2-CA 3.37Å; E162-S306 WeakPolarHBondContact OE2-CB 3.27Å
163	I	89.8	Confident	86	Confident	59 Å²	59	77.2 Å²	77.2	30%	0.303	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-71.7	129.8	170.5	-166.2	170.6	0	0	0	108.1	I165 Y303 R304	I163-I165 HydrophobicContact CG2-CD1 3.91Å; I163-I165 HydrophobicContact CG2-CG1 3.98Å; I163-I165 PolarHBondContact O-N 2.85Å; I163-Y303 HydrophobicContact CB-CD2 4.04Å; I163-Y303 HydrophobicContact CB-CG 4.44Å; I163-Y303 HydrophobicContact CD1-CD2 4.09Å; I163-Y303 HydrophobicContact CD1-CE2 4.34Å; I163-Y303 HydrophobicContact CD1-CG 4.23Å; I163-Y303 HydrophobicContact CG2-CD2 3.45Å; I163-Y303 VanDerWaalsContact CG2-CD2 3.45Å; I163-Y303 HydrophobicContact CG2-CE2 3.95Å; I163-Y303 HydrophobicContact CG2-CG 4.31Å; I163-R304 PolarHBondContact N-O 3.44Å
164	L	84.7	Confident	86.7	Confident	140 Å²	140	82 Å²	82	73%	0.733	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-64.3	125.3	169.9	-60.7	176.9	0	0	0	107.9	E162 R429	E162-L164 PolarHBondContact O-N 3.23Å; L164-R429 VanDerWaalsContact C-NH2 3.28Å; L164-R429 PolarHBondContact O-NH1 3.49Å; L164-R429 PolarHBondContact O-NH2 3.16Å
165	I	86.9	Confident	87.2	Confident	23 Å²	23	79.9 Å²	79.9	12%	0.118	42%	0.418	C	S	.	.			trans	-112.9	144.4	170.1	-69.6	159.9	0	0	0	107.3	I163 P167 I305 D311 T314 E315	I163-I165 HydrophobicContact CG2-CD1 3.91Å; I163-I165 HydrophobicContact CG2-CG1 3.98Å; I163-I165 PolarHBondContact O-N 2.85Å; I165-P167 WeakPolarHBondContact O-CD 3.37Å; I165-I305 HydrophobicContact CD1-CG1 4.25Å; I165-I305 HydrophobicContact CD1-CG2 3.84Å; I165-D311 HydrophobicContact CB-CB 4.11Å; I165-D311 HydrophobicContact CD1-CB 4.12Å; I165-D311 HydrophobicContact CG2-CB 4.35Å; I165-T314 HydrophobicContact CG2-CG2 3.67Å; I165-E315 HydrophobicContact CD1-CB 3.98Å
166	E	84.2	Confident	87.9	Confident	48 Å²	48	71.3 Å²	71.3	22%	0.224	39%	0.387	C	S	.	.			trans	-98.2	113.6	168.5	-81.2	165.6	-132.4	0	0	106.4	A168 R429	E166-A168 PolarHBondContact O-N 3.47Å; E166-R429 WeakPolarHBondContact OE1-CG 3.33Å; E166-R429 IonicContact OE1-CZ 2.61Å; E166-R429 IonicContact OE1-NE 3.05Å; E166-R429 PolarHBondContact OE1-NE 3.41Å; E166-R429 IonicContact OE1-NH2 3.22Å
167	P	82.2	Confident	88.8	Confident	37 Å²	37	67.2 Å²	67.2	24%	0.24	36%	0.359	C	S	.	.			trans	-53.1	131.6	179.6	-31.1	36.6	0	0	0	112.5	I165 L169 N310 D311 T314	I165-P167 WeakPolarHBondContact O-CD 3.37Å; P167-L169 HydrophobicContact CB-CD1 4.3Å; P167-L169 HydrophobicContact CB-CD2 4.46Å; P167-L169 HydrophobicContact CB-CG 3.93Å; P167-L169 PolarHBondContact O-N 3.07Å; P167-N310 HydrophobicContact CB-CB 4.18Å; P167-N310 HydrophobicContact CG-CB 4.25Å; P167-D311 WeakPolarHBondContact CG-OD1 3.49Å; P167-T314 WeakPolarHBondContact CA-OG1 3.4Å
168	A	79.1	Confident	89.4	Confident	33 Å²	33	71.8 Å²	71.8	27%	0.273	37%	0.374	S	S	.	.			trans	-83.8	65.7	176.2	0	0	0	0	0	110.4	E166 P170 L171 T314 M317	E166-A168 PolarHBondContact O-N 3.47Å; A168-P170 CarbonylContact O-C 3.32Å; A168-L171 HydrophobicContact CB-CD2 4.22Å; A168-L171 WeakPolarHBondContact O-CD2 3.42Å; A168-L171 WeakPolarHBondContact O-CG 3.41Å; A168-T314 HydrophobicContact CB-CG2 3.79Å; A168-T314 PolarHBondContact N-OG1 3.18Å; A168-M317 HydrophobicContact CB-CE 3.6Å
169	L	83.6	Confident	90.2	Very high	110 Å²	110	76 Å²	76	58%	0.576	40%	0.395	S	S	*	.	S	Bend	trans	-79.2	143.4	-178.9	-63.1	173.4	0	0	0	112.4	P167 L171	P167-L169 HydrophobicContact CB-CD1 4.3Å; P167-L169 HydrophobicContact CB-CD2 4.46Å; P167-L169 HydrophobicContact CB-CG 3.93Å; P167-L169 PolarHBondContact O-N 3.07Å; L169-L171 HydrophobicContact CD2-CD1 4.18Å; L169-L171 HydrophobicContact CD2-CG 4.23Å
170	P	90.7	Very high	90.9	Very high	128 Å²	128	77.8 Å²	77.8	83%	0.831	39%	0.393	S	S	*	.	S	Bend	cis	-72.7	141.9	-7.4	31.7	-34.3	0	0	0	111.5	A168	A168-P170 CarbonylContact O-C 3.32Å
171	L	93.9	Very high	91.6	Very high	28 Å²	28	76.6 Å²	76.6	15%	0.147	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-87.9	142.2	172.5	-69.7	163.7	0	0	0	109	A168 L169 N310 M313 M317	A168-L171 HydrophobicContact CB-CD2 4.22Å; A168-L171 WeakPolarHBondContact O-CD2 3.42Å; A168-L171 WeakPolarHBondContact O-CG 3.41Å; L169-L171 HydrophobicContact CD2-CD1 4.18Å; L169-L171 HydrophobicContact CD2-CG 4.23Å; L171-N310 HydrophobicContact CD1-CB 3.93Å; L171-M313 HydrophobicContact CB-CE 3.74Å; L171-M313 HydrophobicContact CD1-CB 3.78Å; L171-M313 HydrophobicContact CD1-CE 3.99Å; L171-M313 HydrophobicContact CD1-CG 4.47Å; L171-M313 HydrophobicContact CD1-SD 3.87Å; L171-M313 HydrophobicContact CD2-CB 4.3Å; L171-M313 HydrophobicContact CG-CE 4.43Å; L171-M317 HydrophobicContact CD2-CE 3.67Å; L171-M317 HydrophobicContact CD2-SD 4.25Å
172	P	96.1	Very high	92.2	Very high	54 Å²	54	74.1 Å²	74.1	35%	0.351	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-66.6	150.6	178.9	29.4	-35.7	0	0	0	111.1	M174 F175 M317 W366	P172-M174 VanDerWaalsContact C-N 3.27Å; P172-M174 WeakPolarHBondContact CB-O 3.41Å; P172-M174 PolarHBondContact O-N 3.43Å; P172-F175 HydrophobicContact CG-CB 4.41Å; P172-M317 HydrophobicContact CG-SD 4.14Å; P172-W366 HydrophobicContact CG-CZ2 3.84Å; P172-W366 PolarHBondContact O-NE1 2.8Å
173	E	95.9	Very high	92.5	Very high	121 Å²	121	73 Å²	73	57%	0.565	39%	0.388	S	S	*	.	S	Bend	trans	-62	-37.4	178.6	-176.4	173.2	-115.7	0	0	112.1	W366 G367 V368	E173-W366 PolarHBondContact O-NE1 2.89Å; E173-G367 WeakPolarHBondContact O-CA 3.46Å; E173-V368 HydrophobicContact CG-CB 4.14Å; E173-V368 HydrophobicContact CG-CG2 3.51Å
174	M	97.9	Very high	92.9	Very high	107 Å²	107	72.6 Å²	72.6	53%	0.527	38%	0.384	S	S	.	.			trans	-126	145.4	176.4	-57.5	-175.7	70.7	0	0	110.8	P172 W366 Y378	P172-M174 VanDerWaalsContact C-N 3.27Å; P172-M174 WeakPolarHBondContact CB-O 3.41Å; P172-M174 PolarHBondContact O-N 3.43Å; M174-W366 WeakPolarHBondContact CA-O 3.38Å; M174-Y378 WeakPolarHBondContact CE-OH 3.39Å
175	F	98.3	Very high	93.6	Very high	22 Å²	22	67 Å²	67	10%	0.096	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	134	173.2	177.4	-90.1	0	0	0	109.9	P172 A177 R180 W181 I316 M317 G365 W366	P172-F175 HydrophobicContact CG-CB 4.41Å; F175-A177 HydrophobicContact CE1-CB 4.06Å; F175-R180 HydrophobicContact CE2-CB 3.79Å; F175-R180 HydrophobicContact CE2-CG 3.85Å; F175-R180 HydrophobicContact CZ-CB 3.72Å; F175-R180 HydrophobicContact CZ-CG 3.88Å; F175-W181 HydrophobicContact CE1-CZ3 4.2Å; F175-W181 AromaticContact CZ-CH2 3.89Å; F175-W181 HydrophobicContact CZ-CH2 3.89Å; F175-W181 AromaticContact CZ-CZ3 3.69Å; F175-W181 HydrophobicContact CZ-CZ3 3.69Å; F175-I316 HydrophobicContact CD1-CG2 4Å; F175-I316 HydrophobicContact CE1-CG2 3.68Å; F175-M317 HydrophobicContact CD2-CG 4.01Å; F175-M317 HydrophobicContact CE2-CB 4.31Å; F175-M317 HydrophobicContact CE2-CG 3.73Å; F175-M317 HydrophobicContact CZ-CB 4.48Å; F175-M317 HydrophobicContact CZ-CG 4.35Å; F175-G365 CarbonylContact O-C 2.99Å; F175-G365 WeakPolarHBondContact O-CA 3.5Å; F175-W366 HydrophobicContact CB-CD2 3.73Å; F175-W366 VanDerWaalsContact CB-CE2 3.45Å; F175-W366 HydrophobicContact CB-CE3 3.8Å; F175-W366 HydrophobicContact CB-CH2 3.41Å; F175-W366 VanDerWaalsContact CB-CH2 3.41Å; F175-W366 HydrophobicContact CB-CZ2 3.35Å; F175-W366 HydrophobicContact CB-CZ3 3.63Å; F175-W366 HydrophobicContact CD1-CE3 4.04Å; F175-W366 AromaticContact CD1-CH2 3.89Å; F175-W366 HydrophobicContact CD1-CH2 3.89Å; F175-W366 AromaticContact CD1-CZ3 3.51Å; F175-W366 HydrophobicContact CD1-CZ3 3.51Å; F175-W366 HydrophobicContact CD2-CH2 4.17Å; F175-W366 HydrophobicContact CE1-CZ3 4.37Å; F175-W366 HydrophobicContact CG-CE3 4.24Å; F175-W366 AromaticContact CG-CH2 3.55Å; F175-W366 HydrophobicContact CG-CH2 3.55Å; F175-W366 HydrophobicContact CG-CZ2 4.01Å; F175-W366 AromaticContact CG-CZ3 3.67Å; F175-W366 HydrophobicContact CG-CZ3 3.67Å; F175-W366 PolarHBondContact N-O 3.21Å; F175-W366 PolarHBondContact O-N 3.34Å
176	D	98.5	Very high	93.9	Very high	18 Å²	18	67.2 Å²	67.2	10%	0.096	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.4	171	-166.9	-36	0	0	0	110	R178 E179 R180 L380	D176-R178 PolarHBondContact O-N 3.26Å; D176-R178 WeakPolarHBondContact OD1-CB 3.44Å; D176-R178 VanDerWaalsContact OD1-CG 3.28Å; D176-R178 WeakPolarHBondContact OD1-CG 3.18Å; D176-R178 PolarHBondContact OD1-N 3.48Å; D176-R178 IonicContact OD1-NE 3.22Å; D176-R178 PolarHBondContact OD1-NE 2.95Å; D176-R178 IonicContact OD2-CZ 3.34Å; D176-R178 IonicContact OD2-NE 2.69Å; D176-R178 PolarHBondContact OD2-NE 2.98Å; D176-R178 IonicContact OD2-NH2 3.67Å; D176-R178 PolarHBondContact OD2-NH2 3.34Å; D176-E179 HydrophobicContact CB-CB 4.37Å; D176-E179 HydrophobicContact CB-CG 4.04Å; D176-E179 PolarHBondContact O-N 3.08Å; D176-E179 VanDerWaalsContact O-N 3.15Å; D176-R180 PolarHBondContact O-N 2.77Å; D176-L380 WeakPolarHBondContact OD2-CD2 3.2Å
177	A	98.5	Very high	94.4	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-27.2	178.4	0	0	0	0	0	112.8	F175 R180 W181 I185 P321 I364	F175-A177 HydrophobicContact CE1-CB 4.06Å; A177-R180 PolarHBondContact O-N 3.42Å; A177-W181 HydrophobicContact CB-CE3 3.86Å; A177-W181 HydrophobicContact CB-CZ3 3.85Å; A177-W181 PolarHBondContact O-N 3.4Å; A177-I185 HydrophobicContact CB-CD1 3.75Å; A177-I185 HydrophobicContact CB-CG1 3.89Å; A177-I185 WeakPolarHBondContact O-CG1 3.49Å; A177-P321 HydrophobicContact CB-CG 4.09Å; A177-I364 HydrophobicContact CB-CB 4.33Å; A177-I364 WeakPolarHBondContact CB-O 3.35Å; A177-I364 PolarHBondContact N-O 3.01Å
178	R	97.9	Very high	95.1	Very high	113 Å²	113	67.9 Å²	67.9	43%	0.426	36%	0.362	S	S	.	.	H	α-helix	trans	-68.9	-37.7	178.6	-58.6	173.6	-67.8	173.5	-0.7	111.5	D176 W181 P182 I185 I364	D176-R178 PolarHBondContact O-N 3.26Å; D176-R178 WeakPolarHBondContact OD1-CB 3.44Å; D176-R178 VanDerWaalsContact OD1-CG 3.28Å; D176-R178 WeakPolarHBondContact OD1-CG 3.18Å; D176-R178 PolarHBondContact OD1-N 3.48Å; D176-R178 IonicContact OD1-NE 3.22Å; D176-R178 PolarHBondContact OD1-NE 2.95Å; D176-R178 IonicContact OD2-CZ 3.34Å; D176-R178 IonicContact OD2-NE 2.69Å; D176-R178 PolarHBondContact OD2-NE 2.98Å; D176-R178 IonicContact OD2-NH2 3.67Å; D176-R178 PolarHBondContact OD2-NH2 3.34Å; R178-W181 CarbonylContact O-C 3.47Å; R178-P182 VanDerWaalsContact O-CA 3.25Å; R178-P182 WeakPolarHBondContact O-CA 3.19Å; R178-I185 HydrophobicContact CG-CB 3.88Å; R178-I185 HydrophobicContact CG-CG1 4.16Å; R178-I185 HydrophobicContact CG-CG2 3.85Å; R178-I364 HydrophobicContact CG-CD1 4.44Å
179	E	97.9	Very high	96	Very high	158 Å²	158	69.2 Å²	69.2	74%	0.738	36%	0.36	S	S	*	.	H	α-helix	trans	-73.9	-39.5	174.6	-63.8	179.1	-178.5	0	0	110.9	D176 P182	D176-E179 HydrophobicContact CB-CB 4.37Å; D176-E179 HydrophobicContact CB-CG 4.04Å; D176-E179 PolarHBondContact O-N 3.08Å; D176-E179 VanDerWaalsContact O-N 3.15Å; E179-P182 WeakPolarHBondContact O-CD 3.48Å
180	R	97.4	Very high	96.7	Very high	145 Å²	145	67.5 Å²	67.5	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-37.9	-179.7	-177.6	63.9	-174.6	106.5	-10.9	113.2	F175 D176 A177	F175-R180 HydrophobicContact CE2-CB 3.79Å; F175-R180 HydrophobicContact CE2-CG 3.85Å; F175-R180 HydrophobicContact CZ-CB 3.72Å; F175-R180 HydrophobicContact CZ-CG 3.88Å; D176-R180 PolarHBondContact O-N 2.77Å; A177-R180 PolarHBondContact O-N 3.42Å
181	W	97.5	Very high	97	Very high	35 Å²	35	61.4 Å²	61.4	13%	0.133	31%	0.312	C	S	.	.	S	Bend	trans	-133.4	72.9	-179.5	-55.7	-71	0	0	0	111.4	F175 A177 R178 G183 F184 I185 I212 I316 M317	F175-W181 HydrophobicContact CE1-CZ3 4.2Å; F175-W181 AromaticContact CZ-CH2 3.89Å; F175-W181 HydrophobicContact CZ-CH2 3.89Å; F175-W181 AromaticContact CZ-CZ3 3.69Å; F175-W181 HydrophobicContact CZ-CZ3 3.69Å; A177-W181 HydrophobicContact CB-CE3 3.86Å; A177-W181 HydrophobicContact CB-CZ3 3.85Å; A177-W181 PolarHBondContact O-N 3.4Å; R178-W181 CarbonylContact O-C 3.47Å; W181-G183 PolarHBondContact O-N 2.74Å; W181-F184 HydrophobicContact CB-CB 4.05Å; W181-F184 HydrophobicContact CB-CD2 4.16Å; W181-F184 HydrophobicContact CB-CG 4.5Å; W181-F184 PolarHBondContact O-N 3.11Å; W181-F184 VanDerWaalsContact O-N 3.08Å; W181-I185 HydrophobicContact CE3-CD1 4.42Å; W181-I212 HydrophobicContact CB-CG1 4.1Å; W181-I212 HydrophobicContact CD2-CD1 3.79Å; W181-I212 HydrophobicContact CD2-CG1 3.87Å; W181-I212 HydrophobicContact CD2-CG2 4.15Å; W181-I212 HydrophobicContact CE3-CD1 3.61Å; W181-I212 HydrophobicContact CE3-CG1 4.21Å; W181-I212 HydrophobicContact CG-CD1 4.25Å; W181-I212 HydrophobicContact CG-CG1 3.83Å; W181-I212 HydrophobicContact CG-CG2 4.38Å; W181-I212 HydrophobicContact CZ2-CG2 4.16Å; W181-I212 HydrophobicContact CZ3-CD1 4.07Å; W181-I316 VanDerWaalsContact CH2-O 3.28Å; W181-I316 WeakPolarHBondContact CH2-O 3.17Å; W181-M317 VanDerWaalsContact CH2-O 3.24Å; W181-M317 WeakPolarHBondContact CH2-O 3.39Å; W181-M317 WeakPolarHBondContact CZ2-O 3.44Å
182	P	96.5	Very high	97.1	Very high	97 Å²	97	60.7 Å²	60.7	63%	0.63	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	135	-178.6	-25	35.2	0	0	0	112	R178 E179 F184	R178-P182 VanDerWaalsContact O-CA 3.25Å; R178-P182 WeakPolarHBondContact O-CA 3.19Å; E179-P182 WeakPolarHBondContact O-CD 3.48Å; P182-F184 PolarHBondContact O-N 3.04Å; P182-F184 VanDerWaalsContact O-N 3.17Å
183	G	96	Very high	97.1	Very high	57 Å²	57	60.2 Å²	60.2	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-14.6	-178.9	0	0	0	0	0	115.2	W181 H219	W181-G183 PolarHBondContact O-N 2.74Å; G183-H219 PolarHBondContact O-NE2 3.01Å
184	F	97.8	Very high	97.2	Very high	51 Å²	51	54.5 Å²	54.5	22%	0.224	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-8	-179.6	-65.3	-9.2	0	0	0	114	W181 P182 D208 A211 I212 G216	W181-F184 HydrophobicContact CB-CB 4.05Å; W181-F184 HydrophobicContact CB-CD2 4.16Å; W181-F184 HydrophobicContact CB-CG 4.5Å; W181-F184 PolarHBondContact O-N 3.11Å; W181-F184 VanDerWaalsContact O-N 3.08Å; P182-F184 PolarHBondContact O-N 3.04Å; P182-F184 VanDerWaalsContact O-N 3.17Å; F184-D208 WeakPolarHBondContact O-CA 3.39Å; F184-A211 HydrophobicContact CB-CB 3.76Å; F184-A211 HydrophobicContact CD1-CB 4.13Å; F184-A211 HydrophobicContact CD2-CB 4.47Å; F184-A211 HydrophobicContact CG-CB 3.88Å; F184-I212 HydrophobicContact CB-CG1 4.11Å; F184-I212 HydrophobicContact CD2-CG1 4.38Å; F184-G216 VanDerWaalsContact CZ-CA 3.49Å
185	I	98	Very high	97.2	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.108	25%	0.254	C	S	.	.	S	Bend	trans	-99.4	112.4	173.5	-50.2	-52.3	0	0	0	108	A177 R178 W181 D208 I212 P321 I364	A177-I185 HydrophobicContact CB-CD1 3.75Å; A177-I185 HydrophobicContact CB-CG1 3.89Å; A177-I185 WeakPolarHBondContact O-CG1 3.49Å; R178-I185 HydrophobicContact CG-CB 3.88Å; R178-I185 HydrophobicContact CG-CG1 4.16Å; R178-I185 HydrophobicContact CG-CG2 3.85Å; W181-I185 HydrophobicContact CE3-CD1 4.42Å; I185-D208 HydrophobicContact CD1-CB 4.2Å; I185-I212 HydrophobicContact CD1-CD1 3.87Å; I185-P321 HydrophobicContact CD1-CG 3.82Å; I185-I364 HydrophobicContact CG2-CG2 4.37Å
186	Y	94.7	Very high	97.2	Very high	29 Å²	29	48.3 Å²	48.3	11%	0.114	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68	150.4	-177	-76.2	-74.8	0	0	0	112.1	A207 D208 H219 H220 V221 R362	Y186-A207 HydrophobicContact CD2-CB 3.51Å; Y186-A207 HydrophobicContact CE2-CB 3.6Å; Y186-D208 WeakPolarHBondContact CD2-OD1 3.16Å; Y186-D208 PolarHBondContact N-OD1 2.95Å; Y186-H219 AromaticContact CZ-CD2 3.61Å; Y186-H219 AromaticContact CZ-NE2 3.86Å; Y186-H219 VanDerWaalsContact OH-CA 3.27Å; Y186-H219 WeakPolarHBondContact OH-CA 3.41Å; Y186-H219 PolarHBondContact OH-CD2 2.85Å; Y186-H219 PolarHBondContact OH-NE2 3.4Å; Y186-H219 PolarHBondContact OH-O 2.65Å; Y186-H220 VanDerWaalsContact CZ-C 3.41Å; Y186-H220 VanDerWaalsContact OH-CA 3.23Å; Y186-H220 WeakPolarHBondContact OH-CA 3.45Å; Y186-H220 PolarHBondContact OH-N 3.12Å; Y186-V221 HydrophobicContact CD1-CB 4.46Å; Y186-V221 HydrophobicContact CD1-CG2 3.33Å; Y186-V221 HydrophobicContact CE1-CG2 3.53Å; Y186-V221 HydrophobicContact CG-CG2 4.11Å; Y186-R362 PolarHBondContact O-NH1 3.15Å; Y186-R362 VanDerWaalsContact O-NH1 3.13Å; Y186-R362 PolarHBondContact O-NH2 3.19Å
187	P	93.7	Very high	97.2	Very high	82 Å²	82	47.5 Å²	47.5	53%	0.532	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-64.1	167.7	180	27.6	-35.2	0	0	0	112.5	R362	P187-R362 PolarHBondContact O-NH2 3.03Å
188	V	97.8	Very high	97.2	Very high	17 Å²	17	47.5 Å²	47.5	10%	0.103	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-67.3	139.9	174.3	173.1	0	0	0	0	109	A382 N383 E387 L394	V188-A382 HydrophobicContact CG2-CB 4.18Å; V188-N383 WeakPolarHBondContact CG1-O 3.49Å; V188-E387 HydrophobicContact CB-CG 4.06Å; V188-L394 HydrophobicContact CG2-CD2 3.75Å; V188-L394 HydrophobicContact CG2-CG 4.49Å
189	R	97.4	Very high	97.2	Very high	60 Å²	60	42.1 Å²	42.1	23%	0.226	22%	0.224	C	C	.	.			trans	-110.5	167.2	176.5	-61.1	-168.6	64.2	-171.9	-1	110.4	F200 E258 S384 W385 G386	R189-F200 HydrophobicContact CB-CD1 3.9Å; R189-F200 HydrophobicContact CB-CE1 3.7Å; R189-E258 IonicContact CZ-OE1 3.78Å; R189-E258 IonicContact CZ-OE2 2.63Å; R189-E258 VanDerWaalsContact NH1-CD 3.33Å; R189-E258 IonicContact NH1-OE1 3.89Å; R189-E258 IonicContact NH1-OE2 3.93Å; R189-E258 PolarHBondContact NH1-OE2 3.16Å; R189-E258 IonicContact NH2-OE1 3.33Å; R189-E258 PolarHBondContact NH2-OE1 2.91Å; R189-E258 IonicContact NH2-OE2 3.67Å; R189-E258 PolarHBondContact NH2-OE2 3.25Å; R189-S384 CarbonylContact O-C 3.12Å; R189-S384 WeakPolarHBondContact O-CA 3.29Å; R189-W385 PolarHBondContact O-N 2.93Å; R189-G386 PolarHBondContact O-N 3.32Å
190	D	97.7	Very high	97.3	Very high	75 Å²	75	34.9 Å²	34.9	40%	0.401	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-114.5	121.6	170.7	-169.9	2.2	0	0	0	110.6	R147 G192 S384	R147-D190 IonicContact NH1-OD1 3.06Å; R147-D190 PolarHBondContact NH1-OD1 3.19Å; R147-D190 VanDerWaalsContact NH1-OD1 3.1Å; D190-G192 VanDerWaalsContact C-N 3.25Å; D190-G192 PolarHBondContact OD1-N 2.84Å; D190-S384 CarbonylContact C-O 3.4Å; D190-S384 WeakPolarHBondContact CA-O 3.43Å
191	Q	98	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.			trans	-75.5	-14.7	172.8	74.6	-171.2	69.8	0	0	112.4	Y146 R147 C194 A196 F200 Y263 G266 S384	Y146-Q191 PolarHBondContact O-NE2 3.39Å; R147-Q191 VanDerWaalsContact C-NE2 3.33Å; R147-Q191 PolarHBondContact O-NE2 2.9Å; R147-Q191 PolarHBondContact O-OE1 2.56Å; Q191-C194 PolarHBondContact NE2-O 3.38Å; Q191-A196 HydrophobicContact CB-CB 4.46Å; Q191-F200 HydrophobicContact CB-CD2 3.82Å; Q191-F200 HydrophobicContact CB-CE2 3.58Å; Q191-F200 HydrophobicContact CB-CG 4.43Å; Q191-F200 HydrophobicContact CB-CZ 4.01Å; Q191-Y263 WeakPolarHBondContact O-CE1 3.23Å; Q191-Y263 PolarHBondContact O-OH 3.17Å; Q191-G266 WeakPolarHBondContact O-CA 3.28Å; Q191-S384 WeakPolarHBondContact CG-O 3.27Å; Q191-S384 PolarHBondContact N-O 3.38Å; Q191-S384 PolarHBondContact OE1-OG 3.1Å
192	G	96.4	Very high	97.4	Very high	12 Å²	12	26.5 Å²	26.5	12%	0.124	16%	0.16	C	C	.	.			trans	59	-144	-176.8	0	0	0	0	0	112	R147 D190 C194	R147-G192 PolarHBondContact NH1-O 3.07Å; D190-G192 VanDerWaalsContact C-N 3.25Å; D190-G192 PolarHBondContact OD1-N 2.84Å; G192-C194 PolarHBondContact O-N 3.47Å; G192-C194 VanDerWaalsContact O-N 3.08Å
193	N	95.8	Very high	97.5	Very high	45 Å²	45	22.1 Å²	22.1	24%	0.241	13%	0.131	C	C	.	.	S	Bend	trans	-88.8	51.8	-176.1	-71.2	-20	0	0	0	112.6	Q138 Y146 G266 N269	Q138-N193 PolarHBondContact NE2-OD1 3.46Å; Y146-N193 HydrophobicContact CD1-CB 4.43Å; Y146-N193 VanDerWaalsContact CD1-O 3.24Å; Y146-N193 WeakPolarHBondContact CD1-O 3.22Å; Y146-N193 HydrophobicContact CG-CB 4.29Å; N193-G266 PolarHBondContact N-O 3.46Å; N193-N269 WeakPolarHBondContact CB-OD1 3.21Å; N193-N269 VanDerWaalsContact O-CG 3.28Å; N193-N269 PolarHBondContact O-OD1 3.22Å
194	C	97.9	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-143.7	124.1	178.4	174.8	0	0	0	0	109.4	Y146 Q191 G192 A196 C238 S265	Y146-C194 CarbonylContact O-C 3.54Å; Q191-C194 PolarHBondContact NE2-O 3.38Å; G192-C194 PolarHBondContact O-N 3.47Å; G192-C194 VanDerWaalsContact O-N 3.08Å; C194-A196 HydrophobicContact CB-CB 4.44Å; C194-A196 PolarHBondContact O-N 2.93Å; C194-C238 HydrophobicContact CB-CB 3.86Å; C194-C238 WeakPolarHBondContact CB-SG 3.33Å; C194-C238 WeakPolarHBondContact SG-CA 3.46Å; C194-C238 WeakPolarHBondContact SG-CB 3.36Å; C194-C238 CovalentContact SG-SG 2.04Å; C194-C238 PolarHBondContact SG-SG 2.9Å; C194-S265 WeakPolarHBondContact CB-O 3.39Å
195	G	97.9	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-68.1	67.4	178.8	0	0	0	0	0	112.3	Y146 G149 W198 C238 G240	Y146-G195 WeakPolarHBondContact O-CA 3.4Å; Y146-G195 PolarHBondContact O-N 3.37Å; G149-G195 VanDerWaalsContact CA-O 3.32Å; G149-G195 WeakPolarHBondContact CA-O 3.36Å; G195-W198 PolarHBondContact O-NE1 3.32Å; G195-C238 VanDerWaalsContact CA-O 3.25Å; G195-C238 WeakPolarHBondContact CA-O 3.39Å; G195-C238 PolarHBondContact N-O 2.95Å; G195-G240 WeakPolarHBondContact O-CA 3.3Å
196	A	98.2	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.			trans	-115.8	7.6	-165.2	0	0	0	0	0	114	Q191 C194 W198 A199 F200 L228	Q191-A196 HydrophobicContact CB-CB 4.46Å; C194-A196 HydrophobicContact CB-CB 4.44Å; C194-A196 PolarHBondContact O-N 2.93Å; A196-W198 PolarHBondContact O-N 3.39Å; A196-A199 WeakPolarHBondContact O-CA 3.25Å; A196-A199 WeakPolarHBondContact O-CB 3.24Å; A196-A199 PolarHBondContact O-N 2.9Å; A196-F200 HydrophobicContact CB-CD2 3.84Å; A196-F200 HydrophobicContact CB-CE2 3.91Å; A196-F200 WeakPolarHBondContact O-CD2 3.34Å; A196-F200 PolarHBondContact O-N 3.02Å; A196-L228 HydrophobicContact CB-CD1 3.86Å; A196-L228 HydrophobicContact CB-CD2 3.76Å; A196-L228 HydrophobicContact CB-CG 4.31Å
197	S	98.4	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-51.3	-36.6	-178.3	68.7	0	0	0	0	113.5	L148 T150 A199 F200 S201 H359 S360	L148-S197 WeakPolarHBondContact O-CB 3.22Å; L148-S197 PolarHBondContact O-OG 3.32Å; T150-S197 PolarHBondContact N-OG 3.16Å; T150-S197 PolarHBondContact OG1-OG 3.11Å; S197-A199 PolarHBondContact O-N 3.21Å; S197-F200 PolarHBondContact O-N 3.19Å; S197-S201 WeakPolarHBondContact O-CB 3.46Å; S197-S201 PolarHBondContact O-N 2.68Å; S197-S201 PolarHBondContact O-OG 3.31Å; S197-H359 WeakPolarHBondContact CB-CE1 3.39Å; S197-H359 WeakPolarHBondContact CB-ND1 3.15Å; S197-H359 PolarHBondContact OG-ND1 3.18Å; S197-S360 VanDerWaalsContact C-OG 3.32Å; S197-S360 PolarHBondContact O-OG 2.94Å; S197-S360 PolarHBondContact OG-OG 3.45Å
198	W	98.2	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.1	-35.9	175	67	-90.1	0	0	0	112.7	T150 G195 A196 T202 L227 L228 N231 Q235 G237 G241 L243 A246 S360	T150-W198 PolarHBondContact OG1-N 2.93Å; G195-W198 PolarHBondContact O-NE1 3.32Å; A196-W198 PolarHBondContact O-N 3.39Å; W198-T202 VanDerWaalsContact O-CB 3.26Å; W198-T202 WeakPolarHBondContact O-CB 3.47Å; W198-T202 PolarHBondContact O-OG1 2.69Å; W198-L227 HydrophobicContact CH2-CB 4.2Å; W198-L227 HydrophobicContact CZ3-CB 4.02Å; W198-L228 HydrophobicContact CZ2-CD2 3.72Å; W198-L228 HydrophobicContact CZ2-CG 4.48Å; W198-N231 HydrophobicContact CH2-CB 4.48Å; W198-Q235 HydrophobicContact CH2-CG 4.33Å; W198-G237 PolarHBondContact NE1-O 2.98Å; W198-G241 VanDerWaalsContact CD1-N 3.25Å; W198-L243 HydrophobicContact CB-CD2 3.74Å; W198-A246 HydrophobicContact CE3-CB 3.8Å; W198-A246 HydrophobicContact CZ3-CB 3.97Å; W198-S360 WeakPolarHBondContact CA-OG 3.08Å; W198-S360 PolarHBondContact N-OG 3.4Å
199	A	98.5	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-78.6	-47.3	175.5	0	0	0	0	0	110.6	A196 S197 T202 T203 L227 L228	A196-A199 WeakPolarHBondContact O-CA 3.25Å; A196-A199 WeakPolarHBondContact O-CB 3.24Å; A196-A199 PolarHBondContact O-N 2.9Å; S197-A199 PolarHBondContact O-N 3.21Å; A199-T202 PolarHBondContact O-N 2.93Å; A199-T203 WeakPolarHBondContact O-CG2 3.44Å; A199-T203 PolarHBondContact O-N 2.92Å; A199-T203 PolarHBondContact O-OG1 3.4Å; A199-L227 HydrophobicContact CB-CB 3.96Å; A199-L227 HydrophobicContact CB-CD1 4.07Å; A199-L228 HydrophobicContact CB-CD2 4.47Å; A199-L228 HydrophobicContact CB-CG 4.17Å
200	F	98.7	Very high	98	Very high	6 Å²	6	8.4 Å²	8.4	3%	0.026	5%	0.051	C	C	.	.	H	α-helix	trans	-62.6	-49.2	-178.1	-85.6	-96.4	0	0	0	113.6	R189 Q191 A196 S197 T202 T203 A204 Y263	R189-F200 HydrophobicContact CB-CD1 3.9Å; R189-F200 HydrophobicContact CB-CE1 3.7Å; Q191-F200 HydrophobicContact CB-CD2 3.82Å; Q191-F200 HydrophobicContact CB-CE2 3.58Å; Q191-F200 HydrophobicContact CB-CG 4.43Å; Q191-F200 HydrophobicContact CB-CZ 4.01Å; A196-F200 HydrophobicContact CB-CD2 3.84Å; A196-F200 HydrophobicContact CB-CE2 3.91Å; A196-F200 WeakPolarHBondContact O-CD2 3.34Å; A196-F200 PolarHBondContact O-N 3.02Å; S197-F200 PolarHBondContact O-N 3.19Å; F200-T202 VanDerWaalsContact C-N 3.3Å; F200-T202 PolarHBondContact O-N 3.4Å; F200-T203 PolarHBondContact O-N 3.45Å; F200-T203 PolarHBondContact O-OG1 3.35Å; F200-T203 VanDerWaalsContact O-OG1 3.09Å; F200-A204 WeakPolarHBondContact O-CB 3.48Å; F200-A204 PolarHBondContact O-N 3.44Å; F200-Y263 HydrophobicContact CE2-CD2 4.15Å; F200-Y263 HydrophobicContact CE2-CE1 4.08Å; F200-Y263 AromaticContact CE2-CE2 3.53Å; F200-Y263 HydrophobicContact CE2-CE2 3.53Å; F200-Y263 AromaticContact CE2-CZ 3.49Å; F200-Y263 VanDerWaalsContact CE2-CZ 3.49Å; F200-Y263 AromaticContact CZ-CD1 3.89Å; F200-Y263 HydrophobicContact CZ-CD1 3.89Å; F200-Y263 AromaticContact CZ-CD2 3.94Å; F200-Y263 HydrophobicContact CZ-CD2 3.94Å; F200-Y263 AromaticContact CZ-CE1 3.62Å; F200-Y263 HydrophobicContact CZ-CE1 3.62Å; F200-Y263 AromaticContact CZ-CE2 3.68Å; F200-Y263 HydrophobicContact CZ-CE2 3.68Å; F200-Y263 HydrophobicContact CZ-CG 4.04Å; F200-Y263 AromaticContact CZ-CZ 3.51Å
201	S	98.5	Very high	97.9	Very high	5 Å²	5	4.8 Å²	4.8	4%	0.035	3%	0.032	C	C	.	.	H	α-helix	trans	-67.1	-35.2	180	63.8	0	0	0	0	111.1	S197 V205 Q323 S360	S197-S201 WeakPolarHBondContact O-CB 3.46Å; S197-S201 PolarHBondContact O-N 2.68Å; S197-S201 PolarHBondContact O-OG 3.31Å; S201-V205 WeakPolarHBondContact O-CB 3.38Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.14Å; S201-V205 PolarHBondContact O-N 3.39Å; S201-Q323 PolarHBondContact OG-NE2 3.1Å; S201-S360 WeakPolarHBondContact OG-CB 2.95Å; S201-S360 PolarHBondContact OG-OG 2.8Å
202	T	98.5	Very high	97.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66.6	-46.4	176.1	-59.2	0	0	0	0	111.7	W198 A199 F200 S206 L227 A246 W247 I250 Q323	W198-T202 VanDerWaalsContact O-CB 3.26Å; W198-T202 WeakPolarHBondContact O-CB 3.47Å; W198-T202 PolarHBondContact O-OG1 2.69Å; A199-T202 PolarHBondContact O-N 2.93Å; F200-T202 VanDerWaalsContact C-N 3.3Å; F200-T202 PolarHBondContact O-N 3.4Å; T202-S206 VanDerWaalsContact O-CB 3.27Å; T202-S206 WeakPolarHBondContact O-CB 3.17Å; T202-S206 PolarHBondContact O-N 2.97Å; T202-S206 VanDerWaalsContact O-N 3.1Å; T202-S206 PolarHBondContact O-OG 2.89Å; T202-L227 HydrophobicContact CG2-CD1 4.37Å; T202-A246 HydrophobicContact CG2-CB 4.01Å; T202-W247 HydrophobicContact CG2-CD2 4.1Å; T202-W247 HydrophobicContact CG2-CE3 4.36Å; T202-W247 HydrophobicContact CG2-CH2 4.5Å; T202-W247 HydrophobicContact CG2-CZ2 4.26Å; T202-I250 HydrophobicContact CG2-CD1 3.65Å; T202-I250 HydrophobicContact CG2-CG1 4.49Å; T202-Q323 PolarHBondContact OG1-NE2 3.09Å
203	T	98.5	Very high	97.7	Very high	4 Å²	4	5.4 Å²	5.4	3%	0.025	3%	0.032	C	C	.	.	H	α-helix	trans	-71.3	-39.1	179.5	52	0	0	0	0	112	A199 F200 S206 A207 L222 S224 L227 I250	A199-T203 WeakPolarHBondContact O-CG2 3.44Å; A199-T203 PolarHBondContact O-N 2.92Å; A199-T203 PolarHBondContact O-OG1 3.4Å; F200-T203 PolarHBondContact O-N 3.45Å; F200-T203 PolarHBondContact O-OG1 3.35Å; F200-T203 VanDerWaalsContact O-OG1 3.09Å; T203-S206 PolarHBondContact O-N 3.29Å; T203-A207 VanDerWaalsContact O-CB 3.29Å; T203-A207 WeakPolarHBondContact O-CB 3.22Å; T203-A207 PolarHBondContact O-N 3.12Å; T203-L222 HydrophobicContact CG2-CB 4.24Å; T203-S224 PolarHBondContact OG1-OG 2.81Å; T203-L227 HydrophobicContact CG2-CD1 3.68Å; T203-L227 HydrophobicContact CG2-CG 4.28Å; T203-I250 HydrophobicContact CG2-CD1 4.45Å
204	A	98.5	Very high	97.6	Very high	19 Å²	19	5 Å²	5	16%	0.157	3%	0.033	C	C	.	.	H	α-helix	trans	-63.1	-50.9	177.6	0	0	0	0	0	111.8	F200 S206 A207 D208	F200-A204 WeakPolarHBondContact O-CB 3.48Å; F200-A204 PolarHBondContact O-N 3.44Å; A204-S206 VanDerWaalsContact C-N 3.26Å; A204-S206 PolarHBondContact O-N 3.32Å; A204-A207 PolarHBondContact O-N 3.19Å; A204-A207 VanDerWaalsContact O-N 3.16Å; A204-D208 PolarHBondContact O-N 3.09Å
205	V	98.5	Very high	97.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.1	-38.2	176.2	170	0	0	0	0	111.4	S201 R209 W247 Q323 R362	S201-V205 WeakPolarHBondContact O-CB 3.38Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.14Å; S201-V205 PolarHBondContact O-N 3.39Å; V205-R209 HydrophobicContact CG1-CG 4.38Å; V205-R209 VanDerWaalsContact O-CB 3.24Å; V205-R209 WeakPolarHBondContact O-CB 3.38Å; V205-R209 VanDerWaalsContact O-CG 3.26Å; V205-R209 WeakPolarHBondContact O-CG 3.26Å; V205-R209 PolarHBondContact O-N 2.86Å; V205-R209 VanDerWaalsContact O-N 3.08Å; V205-W247 HydrophobicContact CG1-CH2 4.15Å; V205-W247 HydrophobicContact CG1-CZ2 4.32Å; V205-Q323 HydrophobicContact CG2-CB 3.96Å; V205-R362 HydrophobicContact CG2-CB 3.5Å
206	S	98.4	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-44.6	175.8	-63.7	0	0	0	0	112	T202 T203 A204 L210 W247	T202-S206 VanDerWaalsContact O-CB 3.27Å; T202-S206 WeakPolarHBondContact O-CB 3.17Å; T202-S206 PolarHBondContact O-N 2.97Å; T202-S206 VanDerWaalsContact O-N 3.1Å; T202-S206 PolarHBondContact O-OG 2.89Å; T203-S206 PolarHBondContact O-N 3.29Å; A204-S206 VanDerWaalsContact C-N 3.26Å; A204-S206 PolarHBondContact O-N 3.32Å; S206-L210 VanDerWaalsContact O-CB 3.24Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 WeakPolarHBondContact O-CD1 3.3Å; S206-L210 WeakPolarHBondContact O-CG 3.31Å; S206-L210 PolarHBondContact O-N 2.89Å; S206-W247 WeakPolarHBondContact OG-CZ3 3.46Å
207	A	98.2	Very high	96.8	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-52.1	179.6	0	0	0	0	0	111.3	Y186 T203 A204 R209 L210 A211 H220 L222	Y186-A207 HydrophobicContact CD2-CB 3.51Å; Y186-A207 HydrophobicContact CE2-CB 3.6Å; T203-A207 VanDerWaalsContact O-CB 3.29Å; T203-A207 WeakPolarHBondContact O-CB 3.22Å; T203-A207 PolarHBondContact O-N 3.12Å; A204-A207 PolarHBondContact O-N 3.19Å; A204-A207 VanDerWaalsContact O-N 3.16Å; A207-R209 PolarHBondContact O-N 2.81Å; A207-L210 PolarHBondContact O-N 2.84Å; A207-A211 PolarHBondContact O-N 2.97Å; A207-H220 WeakPolarHBondContact CB-O 3.41Å; A207-L222 HydrophobicContact CB-CD1 4.26Å; A207-L222 HydrophobicContact CB-CG 3.96Å
208	D	98.4	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.1	-49.5	-179.9	-61.1	-22.8	0	0	0	110.6	F184 I185 Y186 A204 L210 A211 I212 P321 R362	F184-D208 WeakPolarHBondContact O-CA 3.39Å; I185-D208 HydrophobicContact CD1-CB 4.2Å; Y186-D208 WeakPolarHBondContact CD2-OD1 3.16Å; Y186-D208 PolarHBondContact N-OD1 2.95Å; A204-D208 PolarHBondContact O-N 3.09Å; D208-L210 PolarHBondContact O-N 3.35Å; D208-A211 PolarHBondContact O-N 2.97Å; D208-I212 WeakPolarHBondContact O-CD1 3.34Å; D208-I212 VanDerWaalsContact O-CG1 3.26Å; D208-I212 WeakPolarHBondContact O-CG1 3.42Å; D208-I212 PolarHBondContact O-N 3.33Å; D208-P321 HydrophobicContact CB-CG 4.1Å; D208-R362 VanDerWaalsContact CG-NH1 3.27Å; D208-R362 IonicContact OD1-NH1 3.96Å; D208-R362 PolarHBondContact OD1-NH1 3.33Å; D208-R362 IonicContact OD2-CZ 3.84Å; D208-R362 IonicContact OD2-NE 2.96Å; D208-R362 IonicContact OD2-NH1 3.45Å; D208-R362 PolarHBondContact OD2-NH1 3.19Å
209	R	97.7	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.9	-34.5	-178.4	-71.2	-170.5	167.5	-127.2	-11.7	112.8	V205 A207 A211 Q213 M299 Y303 E315 G320 P321 A413	V205-R209 HydrophobicContact CG1-CG 4.38Å; V205-R209 VanDerWaalsContact O-CB 3.24Å; V205-R209 WeakPolarHBondContact O-CB 3.38Å; V205-R209 VanDerWaalsContact O-CG 3.26Å; V205-R209 WeakPolarHBondContact O-CG 3.26Å; V205-R209 PolarHBondContact O-N 2.86Å; V205-R209 VanDerWaalsContact O-N 3.08Å; A207-R209 PolarHBondContact O-N 2.81Å; R209-A211 VanDerWaalsContact C-N 3.35Å; R209-Q213 WeakPolarHBondContact O-CB 3.3Å; R209-Q213 WeakPolarHBondContact O-CG 3.43Å; R209-Q213 PolarHBondContact O-N 2.63Å; R209-M299 HydrophobicContact CB-CE 4.39Å; R209-Y303 PolarHBondContact NH1-OH 2.84Å; R209-Y303 VanDerWaalsContact NH1-OH 3.15Å; R209-E315 IonicContact CZ-OE1 3.26Å; R209-E315 VanDerWaalsContact CZ-OE1 3.32Å; R209-E315 IonicContact NH1-OE1 2.76Å; R209-E315 PolarHBondContact NH1-OE1 3.41Å; R209-E315 IonicContact NH2-OE1 2.8Å; R209-E315 PolarHBondContact NH2-OE1 2.91Å; R209-G320 PolarHBondContact NH2-O 2.56Å; R209-P321 PolarHBondContact NE-O 3.2Å; R209-P321 PolarHBondContact NH2-O 2.84Å; R209-A413 WeakPolarHBondContact CD-O 3.44Å; R209-A413 PolarHBondContact NH1-O 3.34Å; R209-A413 VanDerWaalsContact NH1-O 3.11Å
210	L	96.5	Very high	96.2	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-44	173.3	-82.9	163.8	0	0	0	110.9	S206 A207 D208 S214 Y218 L222 F297 M299	S206-L210 VanDerWaalsContact O-CB 3.24Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 WeakPolarHBondContact O-CD1 3.3Å; S206-L210 WeakPolarHBondContact O-CG 3.31Å; S206-L210 PolarHBondContact O-N 2.89Å; A207-L210 PolarHBondContact O-N 2.84Å; D208-L210 PolarHBondContact O-N 3.35Å; L210-S214 WeakPolarHBondContact O-CB 3.2Å; L210-S214 PolarHBondContact O-N 3.16Å; L210-S214 PolarHBondContact O-OG 3.43Å; L210-Y218 CarbonylContact C-O 3.58Å; L210-Y218 HydrophobicContact CD2-CD2 4.26Å; L210-L222 HydrophobicContact CD1-CD1 4.02Å; L210-F297 HydrophobicContact CD1-CB 3.9Å; L210-F297 HydrophobicContact CD1-CD1 4.24Å; L210-F297 HydrophobicContact CD1-CG 4.44Å; L210-M299 HydrophobicContact CD1-SD 3.95Å; L210-M299 HydrophobicContact CD2-SD 4.21Å; L210-M299 HydrophobicContact CG-SD 3.78Å
211	A	96.8	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-53.5	176.7	0	0	0	0	0	111.2	F184 A207 D208 R209 Q213 S214 G215 G216 Y218	F184-A211 HydrophobicContact CB-CB 3.76Å; F184-A211 HydrophobicContact CD1-CB 4.13Å; F184-A211 HydrophobicContact CD2-CB 4.47Å; F184-A211 HydrophobicContact CG-CB 3.88Å; A207-A211 PolarHBondContact O-N 2.97Å; D208-A211 PolarHBondContact O-N 2.97Å; R209-A211 VanDerWaalsContact C-N 3.35Å; A211-Q213 PolarHBondContact O-N 3.18Å; A211-S214 PolarHBondContact O-N 3.2Å; A211-S214 PolarHBondContact O-OG 3.42Å; A211-G215 PolarHBondContact O-N 3.14Å; A211-G216 PolarHBondContact O-N 2.96Å; A211-Y218 WeakPolarHBondContact CA-O 3.24Å; A211-Y218 PolarHBondContact N-O 2.78Å
212	I	96.2	Very high	96.2	Very high	13 Å²	13	27 Å²	27	7%	0.067	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-51.3	179.3	-65.7	164.4	0	0	0	111.7	W181 F184 I185 D208 S214 G215 R421	W181-I212 HydrophobicContact CB-CG1 4.1Å; W181-I212 HydrophobicContact CD2-CD1 3.79Å; W181-I212 HydrophobicContact CD2-CG1 3.87Å; W181-I212 HydrophobicContact CD2-CG2 4.15Å; W181-I212 HydrophobicContact CE3-CD1 3.61Å; W181-I212 HydrophobicContact CE3-CG1 4.21Å; W181-I212 HydrophobicContact CG-CD1 4.25Å; W181-I212 HydrophobicContact CG-CG1 3.83Å; W181-I212 HydrophobicContact CG-CG2 4.38Å; W181-I212 HydrophobicContact CZ2-CG2 4.16Å; W181-I212 HydrophobicContact CZ3-CD1 4.07Å; F184-I212 HydrophobicContact CB-CG1 4.11Å; F184-I212 HydrophobicContact CD2-CG1 4.38Å; I185-I212 HydrophobicContact CD1-CD1 3.87Å; D208-I212 WeakPolarHBondContact O-CD1 3.34Å; D208-I212 VanDerWaalsContact O-CG1 3.26Å; D208-I212 WeakPolarHBondContact O-CG1 3.42Å; D208-I212 PolarHBondContact O-N 3.33Å; I212-S214 VanDerWaalsContact C-N 3.33Å; I212-S214 PolarHBondContact O-N 3.25Å; I212-G215 PolarHBondContact O-N 3.07Å; I212-R421 PolarHBondContact O-NH1 3.29Å
213	Q	94.3	Very high	96.1	Very high	12 Å²	12	27 Å²	27	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-25.4	-170.4	-65.2	170.8	13.8	0	0	112.6	R209 A211 W414 R421	R209-Q213 WeakPolarHBondContact O-CB 3.3Å; R209-Q213 WeakPolarHBondContact O-CG 3.43Å; R209-Q213 PolarHBondContact O-N 2.63Å; A211-Q213 PolarHBondContact O-N 3.18Å; Q213-W414 HydrophobicContact CG-CE3 4.21Å; Q213-W414 HydrophobicContact CG-CZ3 4.41Å; Q213-W414 VanDerWaalsContact OE1-CA 3.27Å; Q213-R421 PolarHBondContact O-NH1 3.08Å
214	S	92.9	Very high	96.1	Very high	37 Å²	37	26.8 Å²	26.8	26%	0.259	15%	0.152	S	C	.	.	H	α-helix	trans	-90.4	-8	175.4	75.5	0	0	0	0	113.8	L210 A211 I212 K217 Y218	L210-S214 WeakPolarHBondContact O-CB 3.2Å; L210-S214 PolarHBondContact O-N 3.16Å; L210-S214 PolarHBondContact O-OG 3.43Å; A211-S214 PolarHBondContact O-N 3.2Å; A211-S214 PolarHBondContact O-OG 3.42Å; I212-S214 VanDerWaalsContact C-N 3.33Å; I212-S214 PolarHBondContact O-N 3.25Å; S214-K217 PolarHBondContact OG-N 2.74Å; S214-Y218 PolarHBondContact OG-N 2.86Å
215	G	91.8	Very high	96.1	Very high	51 Å²	51	25.9 Å²	25.9	53%	0.526	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	39.2	-175.2	0	0	0	0	0	112.4	A211 I212 K217	A211-G215 PolarHBondContact O-N 3.14Å; I212-G215 PolarHBondContact O-N 3.07Å; G215-K217 VanDerWaalsContact C-N 3.34Å; G215-K217 PolarHBondContact O-N 2.99Å
216	G	92.9	Very high	96.1	Very high	25 Å²	25	26.3 Å²	26.3	26%	0.258	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-4.8	-179.9	0	0	0	0	0	115.4	F184 A211 Y218 H219	F184-G216 VanDerWaalsContact CZ-CA 3.49Å; A211-G216 PolarHBondContact O-N 2.96Å; G216-Y218 VanDerWaalsContact C-N 3.28Å; G216-Y218 PolarHBondContact O-N 2.97Å; G216-H219 WeakPolarHBondContact O-CB 3.47Å
217	K	91.8	Very high	96.1	Very high	150 Å²	150	26.3 Å²	26.3	65%	0.652	15%	0.146	S	C	*	.	S	Bend	trans	-61.5	-36.2	177.6	178.2	178	-178.7	174.8	0	112.9	S214 G215	S214-K217 PolarHBondContact OG-N 2.74Å; G215-K217 VanDerWaalsContact C-N 3.34Å; G215-K217 PolarHBondContact O-N 2.99Å
218	Y	93.2	Very high	96.1	Very high	78 Å²	78	26.4 Å²	26.4	31%	0.306	15%	0.146	S	C	.	.	S	Bend	trans	-113.2	94.4	174.1	-59.6	-55.8	0	0	0	108.6	L210 A211 S214 G216 F297	L210-Y218 CarbonylContact C-O 3.58Å; L210-Y218 HydrophobicContact CD2-CD2 4.26Å; A211-Y218 WeakPolarHBondContact CA-O 3.24Å; A211-Y218 PolarHBondContact N-O 2.78Å; S214-Y218 PolarHBondContact OG-N 2.86Å; G216-Y218 VanDerWaalsContact C-N 3.28Å; G216-Y218 PolarHBondContact O-N 2.97Å; Y218-F297 HydrophobicContact CD1-CD1 4.35Å; Y218-F297 AromaticContact CD1-CE1 3.92Å; Y218-F297 HydrophobicContact CD1-CE1 3.92Å; Y218-F297 HydrophobicContact CG-CE1 4.37Å
219	H	94	Very high	96.1	Very high	82 Å²	82	26.6 Å²	26.6	38%	0.38	15%	0.147	S	C	.	.			trans	-128.1	75.7	-174.4	-172.9	-136.9	0	0	0	108.6	G183 Y186 G216	G183-H219 PolarHBondContact O-NE2 3.01Å; Y186-H219 AromaticContact CZ-CD2 3.61Å; Y186-H219 AromaticContact CZ-NE2 3.86Å; Y186-H219 VanDerWaalsContact OH-CA 3.27Å; Y186-H219 WeakPolarHBondContact OH-CA 3.41Å; Y186-H219 PolarHBondContact OH-CD2 2.85Å; Y186-H219 PolarHBondContact OH-NE2 3.4Å; Y186-H219 PolarHBondContact OH-O 2.65Å; G216-H219 WeakPolarHBondContact O-CB 3.47Å
220	H	96.3	Very high	96.1	Very high	35 Å²	35	26.7 Å²	26.7	16%	0.162	15%	0.148	C	C	.	.			trans	-133.6	142.9	174	-59.3	-92.6	0	0	0	112.4	Y186 A207 L222 D293 R295 F297	Y186-H220 VanDerWaalsContact CZ-C 3.41Å; Y186-H220 VanDerWaalsContact OH-CA 3.23Å; Y186-H220 WeakPolarHBondContact OH-CA 3.45Å; Y186-H220 PolarHBondContact OH-N 3.12Å; A207-H220 WeakPolarHBondContact CB-O 3.41Å; H220-L222 PolarHBondContact O-N 2.61Å; H220-D293 IonicContact CE1-OD2 3.7Å; H220-D293 PolarHBondContact CE1-OD2 3.28Å; H220-D293 IonicContact ND1-OD2 3.64Å; H220-R295 PolarHBondContact CE1-NH2 3.3Å; H220-R295 VanDerWaalsContact NE2-CZ 3.3Å; H220-R295 PolarHBondContact NE2-NH1 3.06Å; H220-R295 PolarHBondContact NE2-NH2 3.45Å; H220-R295 VanDerWaalsContact NE2-NH2 3.18Å; H220-F297 HydrophobicContact CB-CE2 4.23Å; H220-F297 HydrophobicContact CB-CZ 3.97Å; H220-F297 AromaticContact CD2-CE1 3.7Å; H220-F297 AromaticContact CD2-CZ 3.28Å; H220-F297 WeakPolarHBondContact CD2-CZ 3.1Å; H220-F297 AromaticContact CG-CZ 3.63Å; H220-F297 AromaticContact NE2-CZ 3.99Å
221	V	97.8	Very high	96.1	Very high	48 Å²	48	26.4 Å²	26.4	29%	0.291	15%	0.147	S	C	.	.			trans	-64.2	128.7	160.1	-176.9	0	0	0	0	107.5	Y186 S257 E258	Y186-V221 HydrophobicContact CD1-CB 4.46Å; Y186-V221 HydrophobicContact CD1-CG2 3.33Å; Y186-V221 HydrophobicContact CE1-CG2 3.53Å; Y186-V221 HydrophobicContact CG-CG2 4.11Å; V221-S257 CarbonylContact O-C 3.59Å; V221-S257 VanDerWaalsContact O-CA 3.24Å; V221-S257 WeakPolarHBondContact O-CA 3.38Å; V221-E258 HydrophobicContact CB-CB 4.05Å; V221-E258 HydrophobicContact CG1-CB 3.81Å; V221-E258 HydrophobicContact CG1-CG 4.36Å; V221-E258 PolarHBondContact O-N 2.96Å
222	L	98.2	Very high	95.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-91.7	146.9	-179.3	-60	-177.9	0	0	0	111.6	T203 A207 L210 H220 S224 V255 F297	T203-L222 HydrophobicContact CG2-CB 4.24Å; A207-L222 HydrophobicContact CB-CD1 4.26Å; A207-L222 HydrophobicContact CB-CG 3.96Å; L210-L222 HydrophobicContact CD1-CD1 4.02Å; H220-L222 PolarHBondContact O-N 2.61Å; L222-S224 PolarHBondContact O-N 3.06Å; L222-S224 VanDerWaalsContact O-N 3.15Å; L222-V255 HydrophobicContact CB-CG2 4.07Å; L222-V255 HydrophobicContact CD1-CG2 3.97Å; L222-V255 HydrophobicContact CD2-CG2 4.45Å; L222-V255 HydrophobicContact CG-CG2 4.4Å; L222-F297 HydrophobicContact CD1-CB 4.37Å; L222-F297 HydrophobicContact CD2-CB 3.69Å; L222-F297 HydrophobicContact CD2-CD1 4.29Å; L222-F297 HydrophobicContact CD2-CD2 3.34Å; L222-F297 HydrophobicContact CD2-CE2 4.06Å; L222-F297 HydrophobicContact CD2-CG 3.5Å; L222-F297 VanDerWaalsContact CD2-CG 3.5Å
223	S	98.4	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.			trans	-72.9	106.1	-175.8	179	0	0	0	0	112.3	Q225 Q226 V256 Y261	S223-Q225 PolarHBondContact OG-N 3.21Å; S223-Q226 PolarHBondContact OG-N 2.93Å; S223-V256 WeakPolarHBondContact CB-O 3.04Å; S223-V256 PolarHBondContact N-O 2.79Å; S223-Y261 WeakPolarHBondContact CB-O 3.49Å; S223-Y261 WeakPolarHBondContact OG-CB 3.17Å; S223-Y261 PolarHBondContact OG-O 2.78Å
224	S	98.4	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-31.3	166	-56.3	0	0	0	0	111	T203 L222 Q226 L227 L228	T203-S224 PolarHBondContact OG1-OG 2.81Å; L222-S224 PolarHBondContact O-N 3.06Å; L222-S224 VanDerWaalsContact O-N 3.15Å; S224-Q226 PolarHBondContact O-N 2.63Å; S224-L227 WeakPolarHBondContact O-CB 3.43Å; S224-L227 PolarHBondContact O-N 3.04Å; S224-L228 PolarHBondContact O-N 3.2Å; S224-L228 VanDerWaalsContact O-N 3.13Å
225	Q	98.5	Very high	95.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-43.5	179	-169.9	62.6	57.7	0	0	112.1	S223 L227 L228 S229 Y261 P262 Y263 S265 P271	S223-Q225 PolarHBondContact OG-N 3.21Å; Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.47Å; Q225-L228 WeakPolarHBondContact O-CB 3.34Å; Q225-L228 PolarHBondContact O-N 2.82Å; Q225-L228 VanDerWaalsContact O-N 3.1Å; Q225-S229 PolarHBondContact NE2-OG 3.22Å; Q225-S229 VanDerWaalsContact NE2-OG 3.14Å; Q225-S229 PolarHBondContact O-N 2.97Å; Q225-S229 PolarHBondContact O-OG 3.17Å; Q225-S229 VanDerWaalsContact O-OG 3.13Å; Q225-Y261 HydrophobicContact CB-CD1 3.82Å; Q225-Y261 HydrophobicContact CB-CE1 4.16Å; Q225-Y261 HydrophobicContact CG-CD1 3.54Å; Q225-Y261 HydrophobicContact CG-CE1 3.4Å; Q225-Y261 VanDerWaalsContact CG-CE1 3.4Å; Q225-P262 WeakPolarHBondContact CB-O 3.45Å; Q225-P262 VanDerWaalsContact CG-O 3.32Å; Q225-P262 WeakPolarHBondContact CG-O 3.11Å; Q225-Y263 HydrophobicContact CB-CD2 4.31Å; Q225-Y263 VanDerWaalsContact OE1-CD2 3.32Å; Q225-S265 PolarHBondContact NE2-OG 2.93Å; Q225-S265 VanDerWaalsContact OE1-N 3.1Å; Q225-S265 PolarHBondContact OE1-OG 3.04Å; Q225-P271 PolarHBondContact NE2-O 3.27Å
226	Q	98.4	Very high	95.5	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-37.7	179.4	-171.1	-175.9	6.1	0	0	111.7	S223 S224 C230 Y261	S223-Q226 PolarHBondContact OG-N 2.93Å; S224-Q226 PolarHBondContact O-N 2.63Å; Q226-C230 HydrophobicContact CG-CB 4.39Å; Q226-C230 VanDerWaalsContact O-CB 3.22Å; Q226-C230 WeakPolarHBondContact O-CB 3.48Å; Q226-C230 PolarHBondContact O-N 3.41Å; Q226-Y261 HydrophobicContact CB-CD2 3.77Å; Q226-Y261 HydrophobicContact CB-CE2 4.2Å; Q226-Y261 HydrophobicContact CB-CG 4.22Å; Q226-Y261 HydrophobicContact CG-CD2 3.95Å; Q226-Y261 HydrophobicContact CG-CE2 4.15Å
227	L	98.2	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-47.4	173.4	-70.6	-175.6	0	0	0	111	W198 A199 T202 T203 S224 Q225 S229 N231 A246 Y249 I250 V255	W198-L227 HydrophobicContact CH2-CB 4.2Å; W198-L227 HydrophobicContact CZ3-CB 4.02Å; A199-L227 HydrophobicContact CB-CB 3.96Å; A199-L227 HydrophobicContact CB-CD1 4.07Å; T202-L227 HydrophobicContact CG2-CD1 4.37Å; T203-L227 HydrophobicContact CG2-CD1 3.68Å; T203-L227 HydrophobicContact CG2-CG 4.28Å; S224-L227 WeakPolarHBondContact O-CB 3.43Å; S224-L227 PolarHBondContact O-N 3.04Å; Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.47Å; L227-S229 PolarHBondContact O-N 3.39Å; L227-N231 WeakPolarHBondContact O-CA 3.01Å; L227-N231 WeakPolarHBondContact O-CB 3.17Å; L227-N231 PolarHBondContact O-N 2.96Å; L227-A246 HydrophobicContact CD1-CB 4.45Å; L227-Y249 HydrophobicContact CD2-CD1 3.41Å; L227-Y249 VanDerWaalsContact CD2-CD1 3.41Å; L227-Y249 HydrophobicContact CD2-CE1 4.01Å; L227-Y249 HydrophobicContact CD2-CG 4.07Å; L227-I250 HydrophobicContact CD1-CD1 4.23Å; L227-I250 HydrophobicContact CD2-CD1 4.48Å; L227-I250 HydrophobicContact CD2-CG1 3.94Å; L227-V255 HydrophobicContact CD2-CG1 3.75Å; L227-V255 HydrophobicContact CG-CG1 4.04Å
228	L	98.1	Very high	95.9	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-49	179.2	-71.4	163.1	0	0	0	112.2	A196 W198 A199 S224 Q225 Y263 P271	A196-L228 HydrophobicContact CB-CD1 3.86Å; A196-L228 HydrophobicContact CB-CD2 3.76Å; A196-L228 HydrophobicContact CB-CG 4.31Å; W198-L228 HydrophobicContact CZ2-CD2 3.72Å; W198-L228 HydrophobicContact CZ2-CG 4.48Å; A199-L228 HydrophobicContact CB-CD2 4.47Å; A199-L228 HydrophobicContact CB-CG 4.17Å; S224-L228 PolarHBondContact O-N 3.2Å; S224-L228 VanDerWaalsContact O-N 3.13Å; Q225-L228 WeakPolarHBondContact O-CB 3.34Å; Q225-L228 PolarHBondContact O-N 2.82Å; Q225-L228 VanDerWaalsContact O-N 3.1Å; L228-Y263 HydrophobicContact CD1-CD2 4.29Å; L228-Y263 HydrophobicContact CD1-CE2 3.56Å; L228-P271 HydrophobicContact CB-CB 4.22Å; L228-P271 WeakPolarHBondContact O-CB 3.28Å
229	S	98.1	Very high	96.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-75.1	-39.4	-175.2	-50.1	0	0	0	0	112.8	Q225 L227 Q232 Y261 P271 C274	Q225-S229 PolarHBondContact NE2-OG 3.22Å; Q225-S229 VanDerWaalsContact NE2-OG 3.14Å; Q225-S229 PolarHBondContact O-N 2.97Å; Q225-S229 PolarHBondContact O-OG 3.17Å; Q225-S229 VanDerWaalsContact O-OG 3.13Å; L227-S229 PolarHBondContact O-N 3.39Å; S229-Q232 WeakPolarHBondContact O-CG 3.24Å; S229-Q232 PolarHBondContact O-NE2 2.75Å; S229-Y261 WeakPolarHBondContact CB-OH 3.31Å; S229-Y261 PolarHBondContact OG-OH 2.58Å; S229-P271 WeakPolarHBondContact CB-O 3.43Å; S229-P271 PolarHBondContact OG-O 3.24Å; S229-C274 WeakPolarHBondContact O-CB 3.38Å
230	C	97.7	Very high	96.2	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-110.9	-17.2	-165.7	-62.5	0	0	0	0	115.4	Q226 Q232 Y249 C274 I276 R278	Q226-C230 HydrophobicContact CG-CB 4.39Å; Q226-C230 VanDerWaalsContact O-CB 3.22Å; Q226-C230 WeakPolarHBondContact O-CB 3.48Å; Q226-C230 PolarHBondContact O-N 3.41Å; C230-Q232 PolarHBondContact O-N 3.46Å; C230-Y249 HydrophobicContact CB-CE2 4.31Å; C230-Y249 VanDerWaalsContact CB-OH 3.27Å; C230-Y249 WeakPolarHBondContact CB-OH 3.46Å; C230-C274 WeakPolarHBondContact CA-SG 3.46Å; C230-C274 HydrophobicContact CB-CB 3.97Å; C230-C274 WeakPolarHBondContact CB-SG 3.39Å; C230-C274 WeakPolarHBondContact SG-CA 3.45Å; C230-C274 WeakPolarHBondContact SG-CB 3.47Å; C230-C274 CovalentContact SG-SG 2.04Å; C230-C274 PolarHBondContact SG-SG 3.05Å; C230-I276 PolarHBondContact SG-O 2.84Å; C230-I276 VanDerWaalsContact SG-O 3.32Å; C230-R278 PolarHBondContact O-NE 2.94Å; C230-R278 PolarHBondContact O-NH2 3.18Å
231	N	96.2	Very high	96.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	15%	0.15	C	C	.	.			trans	-83.6	57.6	173.6	-172.4	-139.1	0	0	0	111.2	W198 L227 A233 Q235 R245 Y249	W198-N231 HydrophobicContact CH2-CB 4.48Å; L227-N231 WeakPolarHBondContact O-CA 3.01Å; L227-N231 WeakPolarHBondContact O-CB 3.17Å; L227-N231 PolarHBondContact O-N 2.96Å; N231-A233 PolarHBondContact O-N 2.79Å; N231-Q235 HydrophobicContact CB-CG 4.47Å; N231-Q235 WeakPolarHBondContact O-CB 3.42Å; N231-Q235 WeakPolarHBondContact O-CG 3.33Å; N231-Q235 VanDerWaalsContact OD1-CG 3.22Å; N231-Q235 WeakPolarHBondContact OD1-CG 3.28Å; N231-Q235 PolarHBondContact OD1-NE2 3.33Å; N231-R245 PolarHBondContact OD1-O 3.38Å; N231-Y249 HydrophobicContact CB-CD2 3.82Å; N231-Y249 HydrophobicContact CB-CE2 4.28Å; N231-Y249 HydrophobicContact CB-CG 4.05Å; N231-Y249 WeakPolarHBondContact ND2-CB 3.42Å; N231-Y249 WeakPolarHBondContact ND2-CD2 3.19Å
232	Q	91	Very high	96.2	Very high	128 Å²	128	31 Å²	31	60%	0.598	15%	0.145	S	C	*	.			trans	-75.9	-15.3	-170.5	-63	171.4	-25.7	0	0	115.7	S229 C230 R234	S229-Q232 WeakPolarHBondContact O-CG 3.24Å; S229-Q232 PolarHBondContact O-NE2 2.75Å; C230-Q232 PolarHBondContact O-N 3.46Å; Q232-R234 PolarHBondContact O-N 2.75Å
233	A	89.3	Confident	96.1	Very high	44 Å²	44	31 Å²	31	36%	0.364	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	114	-171.7	0	0	0	0	0	110.8	N231 Q235	N231-A233 PolarHBondContact O-N 2.79Å; A233-Q235 PolarHBondContact O-N 3.48Å
234	R	89.3	Confident	95.9	Very high	128 Å²	128	32.8 Å²	32.8	48%	0.483	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	28.8	-176.3	-55.7	-175.9	65.1	-162.8	-7.5	113.2	E154 Q232 Y242	E154-R234 IonicContact OE1-CZ 3.74Å; E154-R234 IonicContact OE1-NH1 3.67Å; E154-R234 IonicContact OE1-NH2 3.44Å; E154-R234 PolarHBondContact OE1-NH2 3.16Å; E154-R234 IonicContact OE2-CZ 3.1Å; E154-R234 IonicContact OE2-NH1 3.78Å; E154-R234 PolarHBondContact OE2-NH1 2.72Å; E154-R234 IonicContact OE2-NH2 2.77Å; E154-R234 PolarHBondContact OE2-NH2 3.19Å; Q232-R234 PolarHBondContact O-N 2.75Å; R234-Y242 WeakPolarHBondContact O-CD2 3.02Å
235	Q	94.9	Very high	95.8	Very high	21 Å²	21	36.1 Å²	36.1	10%	0.098	17%	0.167	C	C	.	.			trans	-120.3	160.1	171.1	-61	-69.4	35.7	0	0	109.8	W198 N231 A233 G241 Y242 R245	W198-Q235 HydrophobicContact CH2-CG 4.33Å; N231-Q235 HydrophobicContact CB-CG 4.47Å; N231-Q235 WeakPolarHBondContact O-CB 3.42Å; N231-Q235 WeakPolarHBondContact O-CG 3.33Å; N231-Q235 VanDerWaalsContact OD1-CG 3.22Å; N231-Q235 WeakPolarHBondContact OD1-CG 3.28Å; N231-Q235 PolarHBondContact OD1-NE2 3.33Å; A233-Q235 PolarHBondContact O-N 3.48Å; Q235-G241 VanDerWaalsContact OE1-C 3.31Å; Q235-Y242 PolarHBondContact NE2-O 2.94Å; Q235-R245 HydrophobicContact CG-CB 4.29Å; Q235-R245 VanDerWaalsContact NE2-CB 3.29Å
236	R	95.8	Very high	95.7	Very high	156 Å²	156	36 Å²	36	59%	0.589	17%	0.167	S	C	*	.			trans	-123.6	18.3	-176.8	-48	177.7	178.6	169.6	-2.5	113	C238 N239 G240	R236-C238 PolarHBondContact O-N 2.97Å; R236-N239 HydrophobicContact CB-CB 3.87Å; R236-N239 WeakPolarHBondContact O-CB 3.41Å; R236-N239 PolarHBondContact O-N 3.46Å; R236-G240 CarbonylContact C-O 3.57Å; R236-G240 WeakPolarHBondContact CA-O 3.41Å; R236-G240 VanDerWaalsContact CB-O 3.28Å; R236-G240 WeakPolarHBondContact CB-O 3.46Å; R236-G240 PolarHBondContact N-O 2.58Å
237	G	95.7	Very high	95.6	Very high	6 Å²	6	35.7 Å²	35.7	6%	0.062	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-118.9	177.8	0	0	0	0	0	111.7	W198 N239 G240	W198-G237 PolarHBondContact NE1-O 2.98Å; G237-N239 PolarHBondContact O-N 2.93Å; G237-G240 PolarHBondContact O-N 3.09Å
238	C	97.3	Very high	95.5	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.02	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.5	176.2	-68	0	0	0	0	114.9	C194 G195 R236 G240 N269 E270	C194-C238 HydrophobicContact CB-CB 3.86Å; C194-C238 WeakPolarHBondContact CB-SG 3.33Å; C194-C238 WeakPolarHBondContact SG-CA 3.46Å; C194-C238 WeakPolarHBondContact SG-CB 3.36Å; C194-C238 CovalentContact SG-SG 2.04Å; C194-C238 PolarHBondContact SG-SG 2.9Å; G195-C238 VanDerWaalsContact CA-O 3.25Å; G195-C238 WeakPolarHBondContact CA-O 3.39Å; G195-C238 PolarHBondContact N-O 2.95Å; R236-C238 PolarHBondContact O-N 2.97Å; C238-G240 VanDerWaalsContact C-N 3.29Å; C238-N269 VanDerWaalsContact CB-O 3.32Å; C238-N269 WeakPolarHBondContact CB-O 3.48Å; C238-N269 PolarHBondContact SG-O 3.3Å; C238-E270 VanDerWaalsContact SG-C 3.56Å
239	N	96.7	Very high	95.5	Very high	96 Å²	96	40.4 Å²	40.4	51%	0.513	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-95	14.4	172.6	-60.3	-58.5	0	0	0	112.4	R236 G237	R236-N239 HydrophobicContact CB-CB 3.87Å; R236-N239 WeakPolarHBondContact O-CB 3.41Å; R236-N239 PolarHBondContact O-N 3.46Å; G237-N239 PolarHBondContact O-N 2.93Å
240	G	96.8	Very high	95.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	18%	0.181	C	C	.	.			trans	105.1	167.2	169.9	0	0	0	0	0	116.1	G149 G195 R236 G237 C238	G149-G240 CarbonylContact O-C 3.59Å; G149-G240 WeakPolarHBondContact O-CA 3.33Å; G195-G240 WeakPolarHBondContact O-CA 3.3Å; R236-G240 CarbonylContact C-O 3.57Å; R236-G240 WeakPolarHBondContact CA-O 3.41Å; R236-G240 VanDerWaalsContact CB-O 3.28Å; R236-G240 WeakPolarHBondContact CB-O 3.46Å; R236-G240 PolarHBondContact N-O 2.58Å; G237-G240 PolarHBondContact O-N 3.09Å; C238-G240 VanDerWaalsContact C-N 3.29Å
241	G	97.1	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-159.9	161.1	-177.3	0	0	0	0	0	115	G149 L151 W198 Q235	G149-G241 PolarHBondContact O-N 2.76Å; L151-G241 PolarHBondContact N-O 3.32Å; W198-G241 VanDerWaalsContact CD1-N 3.25Å; Q235-G241 VanDerWaalsContact OE1-C 3.31Å
242	Y	96.9	Very high	95.2	Very high	43 Å²	43	52.2 Å²	52.2	17%	0.169	23%	0.23	C	C	.	.			trans	-92.2	139.4	177.9	-59.7	-83.6	0	0	0	111.8	L151 Y152 E154 R234 Q235 D244 R245 A246	L151-Y242 HydrophobicContact CB-CD1 3.65Å; L151-Y242 HydrophobicContact CB-CD2 4.37Å; L151-Y242 HydrophobicContact CB-CE1 3.55Å; L151-Y242 HydrophobicContact CB-CE2 4.28Å; L151-Y242 HydrophobicContact CB-CG 4.08Å; L151-Y242 HydrophobicContact CD1-CD2 3.95Å; L151-Y242 HydrophobicContact CD1-CE1 4.3Å; L151-Y242 HydrophobicContact CD1-CE2 3.55Å; L151-Y242 HydrophobicContact CD1-CG 4.48Å; Y152-Y242 VanDerWaalsContact O-CE1 3.3Å; Y152-Y242 WeakPolarHBondContact O-CE1 3.28Å; E154-Y242 HydrophobicContact CG-CE1 4.43Å; R234-Y242 WeakPolarHBondContact O-CD2 3.02Å; Q235-Y242 PolarHBondContact NE2-O 2.94Å; Y242-D244 WeakPolarHBondContact CB-OD1 3.27Å; Y242-R245 PolarHBondContact O-N 3.15Å; Y242-A246 PolarHBondContact O-N 2.85Å
243	L	96.1	Very high	95.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-37.5	-178.1	-59.4	-170	0	0	0	113.1	T150 W198 R245 A246 W247 Q323 T325 F409 I411	T150-L243 HydrophobicContact CG2-CD2 4.19Å; T150-L243 HydrophobicContact CG2-CG 4.18Å; W198-L243 HydrophobicContact CB-CD2 3.74Å; L243-R245 PolarHBondContact O-N 2.8Å; L243-A246 PolarHBondContact O-N 3.33Å; L243-W247 PolarHBondContact O-N 2.91Å; L243-Q323 HydrophobicContact CD1-CG 4.25Å; L243-T325 HydrophobicContact CD1-CG2 3.38Å; L243-T325 HydrophobicContact CG-CG2 4.31Å; L243-F409 HydrophobicContact CD1-CD1 4.46Å; L243-F409 HydrophobicContact CD1-CE1 4.23Å; L243-I411 HydrophobicContact CB-CD1 4.16Å; L243-I411 HydrophobicContact CD1-CD1 4.07Å
244	D	94.1	Very high	95.7	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-37.7	178.7	67.9	-51.7	0	0	0	111.7	V157 Y242 W248	V157-D244 HydrophobicContact CG1-CB 4Å; V157-D244 HydrophobicContact CG2-CB 3.94Å; Y242-D244 WeakPolarHBondContact CB-OD1 3.27Å; D244-W248 VanDerWaalsContact O-CB 3.23Å; D244-W248 WeakPolarHBondContact O-CB 3.43Å; D244-W248 PolarHBondContact O-N 2.87Å
245	R	95.4	Very high	96.1	Very high	70 Å²	70	41.2 Å²	41.2	26%	0.264	17%	0.174	S	C	.	.	H	α-helix	trans	-72.8	-39	178	-61.8	-62	162.5	174.6	-0.1	112.3	N231 Q235 Y242 L243 W248 Y249	N231-R245 PolarHBondContact OD1-O 3.38Å; Q235-R245 HydrophobicContact CG-CB 4.29Å; Q235-R245 VanDerWaalsContact NE2-CB 3.29Å; Y242-R245 PolarHBondContact O-N 3.15Å; L243-R245 PolarHBondContact O-N 2.8Å; R245-W248 PolarHBondContact O-N 2.92Å; R245-Y249 WeakPolarHBondContact O-CB 3.37Å; R245-Y249 PolarHBondContact O-N 2.95Å
246	A	97.5	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-48.8	173.2	0	0	0	0	0	111	W198 T202 L227 Y242 L243 W248 Y249 I250	W198-A246 HydrophobicContact CE3-CB 3.8Å; W198-A246 HydrophobicContact CZ3-CB 3.97Å; T202-A246 HydrophobicContact CG2-CB 4.01Å; L227-A246 HydrophobicContact CD1-CB 4.45Å; Y242-A246 PolarHBondContact O-N 2.85Å; L243-A246 PolarHBondContact O-N 3.33Å; A246-W248 PolarHBondContact O-N 3.15Å; A246-Y249 WeakPolarHBondContact O-CB 3.31Å; A246-Y249 PolarHBondContact O-N 2.67Å; A246-I250 PolarHBondContact O-N 2.91Å
247	W	96.6	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-39.5	176.3	-78.5	113.3	0	0	0	113.2	T202 V205 S206 L243 Y249 R251 M299 P302 I411 A413	T202-W247 HydrophobicContact CG2-CD2 4.1Å; T202-W247 HydrophobicContact CG2-CE3 4.36Å; T202-W247 HydrophobicContact CG2-CH2 4.5Å; T202-W247 HydrophobicContact CG2-CZ2 4.26Å; V205-W247 HydrophobicContact CG1-CH2 4.15Å; V205-W247 HydrophobicContact CG1-CZ2 4.32Å; S206-W247 WeakPolarHBondContact OG-CZ3 3.46Å; L243-W247 PolarHBondContact O-N 2.91Å; W247-Y249 VanDerWaalsContact C-N 3.29Å; W247-Y249 PolarHBondContact O-N 3.01Å; W247-R251 WeakPolarHBondContact O-CB 3.39Å; W247-R251 PolarHBondContact O-N 2.95Å; W247-M299 HydrophobicContact CE3-CB 4.46Å; W247-M299 HydrophobicContact CZ3-CB 4.09Å; W247-M299 HydrophobicContact CZ3-CE 4.21Å; W247-M299 HydrophobicContact CZ3-CG 3.99Å; W247-P302 HydrophobicContact CB-CB 4.07Å; W247-P302 HydrophobicContact CB-CG 3.63Å; W247-P302 HydrophobicContact CD2-CB 3.92Å; W247-P302 HydrophobicContact CD2-CG 4.46Å; W247-P302 HydrophobicContact CE3-CB 4.37Å; W247-P302 HydrophobicContact CG-CB 3.77Å; W247-P302 HydrophobicContact CG-CG 3.88Å; W247-I411 HydrophobicContact CZ2-CG2 4.12Å; W247-A413 HydrophobicContact CE3-CB 3.91Å; W247-A413 HydrophobicContact CH2-CB 3.57Å; W247-A413 HydrophobicContact CZ2-CB 4.37Å; W247-A413 HydrophobicContact CZ3-CB 3.29Å
248	W	95.3	Very high	96.5	Very high	104 Å²	104	34.1 Å²	34.1	39%	0.394	15%	0.146	S	C	.	.	H	α-helix	trans	-60	-42.1	174.3	178.8	91.6	0	0	0	111.4	D244 R245 A246 R251 K252 Y253	D244-W248 VanDerWaalsContact O-CB 3.23Å; D244-W248 WeakPolarHBondContact O-CB 3.43Å; D244-W248 PolarHBondContact O-N 2.87Å; R245-W248 PolarHBondContact O-N 2.92Å; A246-W248 PolarHBondContact O-N 3.15Å; W248-R251 PolarHBondContact O-N 2.75Å; W248-K252 HydrophobicContact CZ2-CG 4.4Å; W248-K252 WeakPolarHBondContact O-CB 3.27Å; W248-K252 PolarHBondContact O-N 2.92Å; W248-Y253 AromaticContact CH2-CE2 3.62Å; W248-Y253 HydrophobicContact CH2-CE2 3.62Å; W248-Y253 HydrophobicContact CZ3-CD2 4.34Å; W248-Y253 AromaticContact CZ3-CE2 3.59Å; W248-Y253 HydrophobicContact CZ3-CE2 3.59Å
249	Y	97.3	Very high	96.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-53	178.2	-173.5	-84.1	0	0	0	112.1	L227 C230 N231 R245 A246 W247 R251 K252 Y253 G254 V255 R278	L227-Y249 HydrophobicContact CD2-CD1 3.41Å; L227-Y249 VanDerWaalsContact CD2-CD1 3.41Å; L227-Y249 HydrophobicContact CD2-CE1 4.01Å; L227-Y249 HydrophobicContact CD2-CG 4.07Å; C230-Y249 HydrophobicContact CB-CE2 4.31Å; C230-Y249 VanDerWaalsContact CB-OH 3.27Å; C230-Y249 WeakPolarHBondContact CB-OH 3.46Å; N231-Y249 HydrophobicContact CB-CD2 3.82Å; N231-Y249 HydrophobicContact CB-CE2 4.28Å; N231-Y249 HydrophobicContact CB-CG 4.05Å; N231-Y249 WeakPolarHBondContact ND2-CB 3.42Å; N231-Y249 WeakPolarHBondContact ND2-CD2 3.19Å; R245-Y249 WeakPolarHBondContact O-CB 3.37Å; R245-Y249 PolarHBondContact O-N 2.95Å; A246-Y249 WeakPolarHBondContact O-CB 3.31Å; A246-Y249 PolarHBondContact O-N 2.67Å; W247-Y249 VanDerWaalsContact C-N 3.29Å; W247-Y249 PolarHBondContact O-N 3.01Å; Y249-R251 PolarHBondContact O-N 2.95Å; Y249-K252 PolarHBondContact O-N 2.97Å; Y249-Y253 AromaticContact CD2-CD2 3.77Å; Y249-Y253 HydrophobicContact CD2-CD2 3.77Å; Y249-Y253 HydrophobicContact CD2-CE2 4.46Å; Y249-Y253 AromaticContact CE2-CD2 3.94Å; Y249-Y253 HydrophobicContact CE2-CD2 3.94Å; Y249-Y253 HydrophobicContact CE2-CG 4.47Å; Y249-Y253 HydrophobicContact CG-CD2 4.28Å; Y249-Y253 PolarHBondContact O-N 2.81Å; Y249-G254 VanDerWaalsContact CE1-O 3.29Å; Y249-G254 WeakPolarHBondContact CE1-O 3.21Å; Y249-G254 PolarHBondContact O-N 3.1Å; Y249-G254 VanDerWaalsContact O-N 3.17Å; Y249-V255 HydrophobicContact CD1-CG1 4.26Å; Y249-V255 HydrophobicContact CE1-CG1 4.07Å; Y249-R278 HydrophobicContact CE2-CG 4.14Å
250	I	96.8	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-35.7	178.8	-64.1	-167.6	0	0	0	111.3	T202 T203 L227 A246 G254 V255 M299	T202-I250 HydrophobicContact CG2-CD1 3.65Å; T202-I250 HydrophobicContact CG2-CG1 4.49Å; T203-I250 HydrophobicContact CG2-CD1 4.45Å; L227-I250 HydrophobicContact CD1-CD1 4.23Å; L227-I250 HydrophobicContact CD2-CD1 4.48Å; L227-I250 HydrophobicContact CD2-CG1 3.94Å; A246-I250 PolarHBondContact O-N 2.91Å; I250-G254 VanDerWaalsContact O-CA 3.22Å; I250-G254 WeakPolarHBondContact O-CA 3.18Å; I250-G254 PolarHBondContact O-N 2.78Å; I250-V255 HydrophobicContact CD1-CG1 4.32Å; I250-V255 HydrophobicContact CD1-CG2 4.04Å; I250-V255 HydrophobicContact CG1-CG1 3.91Å; I250-V255 HydrophobicContact CG1-CG2 4.24Å; I250-M299 HydrophobicContact CG2-CB 3.86Å; I250-M299 HydrophobicContact CG2-CG 3.47Å; I250-M299 VanDerWaalsContact CG2-CG 3.47Å
251	R	95.2	Very high	96.7	Very high	128 Å²	128	35.2 Å²	35.2	48%	0.483	15%	0.147	S	C	.	.	H	α-helix	trans	-64.8	-48.5	175.1	175.1	-169.1	164.8	175.4	-4	111.9	W247 W248 Y249 M299	W247-R251 WeakPolarHBondContact O-CB 3.39Å; W247-R251 PolarHBondContact O-N 2.95Å; W248-R251 PolarHBondContact O-N 2.75Å; Y249-R251 PolarHBondContact O-N 2.95Å; R251-M299 WeakPolarHBondContact CA-O 3.2Å
252	K	94.3	Very high	96.7	Very high	127 Å²	127	37.7 Å²	37.7	55%	0.552	16%	0.163	S	C	*	.	H	α-helix	trans	-80.1	-55.2	-171.2	-173.6	67.3	178.5	-177.3	0	111.3	W248 Y249 K298	W248-K252 HydrophobicContact CZ2-CG 4.4Å; W248-K252 WeakPolarHBondContact O-CB 3.27Å; W248-K252 PolarHBondContact O-N 2.92Å; Y249-K252 PolarHBondContact O-N 2.97Å; K252-K298 PolarHBondContact O-NZ 3.12Å
253	Y	95	Very high	96.8	Very high	68 Å²	68	37.5 Å²	37.5	27%	0.267	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-35.6	-173.5	-56.8	-69	0	0	0	112.1	W248 Y249 R278 V296 K298	W248-Y253 AromaticContact CH2-CE2 3.62Å; W248-Y253 HydrophobicContact CH2-CE2 3.62Å; W248-Y253 HydrophobicContact CZ3-CD2 4.34Å; W248-Y253 AromaticContact CZ3-CE2 3.59Å; W248-Y253 HydrophobicContact CZ3-CE2 3.59Å; Y249-Y253 AromaticContact CD2-CD2 3.77Å; Y249-Y253 HydrophobicContact CD2-CD2 3.77Å; Y249-Y253 HydrophobicContact CD2-CE2 4.46Å; Y249-Y253 AromaticContact CE2-CD2 3.94Å; Y249-Y253 HydrophobicContact CE2-CD2 3.94Å; Y249-Y253 HydrophobicContact CE2-CG 4.47Å; Y249-Y253 HydrophobicContact CG-CD2 4.28Å; Y249-Y253 PolarHBondContact O-N 2.81Å; Y253-R278 HydrophobicContact CD1-CB 4.03Å; Y253-R278 HydrophobicContact CD1-CG 4.3Å; Y253-R278 HydrophobicContact CD2-CG 4.12Å; Y253-R278 HydrophobicContact CE1-CB 3.7Å; Y253-R278 HydrophobicContact CE1-CG 4.15Å; Y253-R278 HydrophobicContact CE2-CB 4.38Å; Y253-R278 HydrophobicContact CE2-CG 3.95Å; Y253-R278 HydrophobicContact CG-CG 4.29Å; Y253-V296 WeakPolarHBondContact O-CG1 3.3Å; Y253-K298 WeakPolarHBondContact O-CE 3.42Å; Y253-K298 PolarHBondContact O-NZ 2.66Å; Y253-K298 VanDerWaalsContact O-NZ 3.08Å
254	G	96	Very high	96.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	18%	0.183	C	C	.	.			trans	83.6	177.6	-171.4	0	0	0	0	0	112.4	Y249 I250 F297	Y249-G254 VanDerWaalsContact CE1-O 3.29Å; Y249-G254 WeakPolarHBondContact CE1-O 3.21Å; Y249-G254 PolarHBondContact O-N 3.1Å; Y249-G254 VanDerWaalsContact O-N 3.17Å; I250-G254 VanDerWaalsContact O-CA 3.22Å; I250-G254 WeakPolarHBondContact O-CA 3.18Å; I250-G254 PolarHBondContact O-N 2.78Å; G254-F297 CarbonylContact C-O 3.52Å; G254-F297 WeakPolarHBondContact CA-O 3.19Å
255	V	97.8	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-133	152.1	174.1	-71.6	0	0	0	0	110.3	L222 L227 Y249 I250 F297	L222-V255 HydrophobicContact CB-CG2 4.07Å; L222-V255 HydrophobicContact CD1-CG2 3.97Å; L222-V255 HydrophobicContact CD2-CG2 4.45Å; L222-V255 HydrophobicContact CG-CG2 4.4Å; L227-V255 HydrophobicContact CD2-CG1 3.75Å; L227-V255 HydrophobicContact CG-CG1 4.04Å; Y249-V255 HydrophobicContact CD1-CG1 4.26Å; Y249-V255 HydrophobicContact CE1-CG1 4.07Å; I250-V255 HydrophobicContact CD1-CG1 4.32Å; I250-V255 HydrophobicContact CD1-CG2 4.04Å; I250-V255 HydrophobicContact CG1-CG1 3.91Å; I250-V255 HydrophobicContact CG1-CG2 4.24Å; V255-F297 PolarHBondContact N-O 3.27Å; V255-F297 WeakPolarHBondContact O-CD2 3.5Å; V255-F297 PolarHBondContact O-N 3.36Å
256	V	97.9	Very high	97.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	17%	0.167	C	C	.	.			trans	-85.9	174.6	171.7	-61.2	0	0	0	0	110.8	S223 C260 I276 I285 V296	S223-V256 WeakPolarHBondContact CB-O 3.04Å; S223-V256 PolarHBondContact N-O 2.79Å; V256-C260 HydrophobicContact CB-CB 3.83Å; V256-C260 HydrophobicContact CG2-CB 3.75Å; V256-C260 VanDerWaalsContact CG2-SG 3.6Å; V256-I276 HydrophobicContact CG1-CD1 4.2Å; V256-I276 HydrophobicContact CG2-CD1 4.02Å; V256-I285 HydrophobicContact CG1-CD1 4.36Å; V256-I285 HydrophobicContact CG1-CG2 4.37Å; V256-V296 HydrophobicContact CG1-CG2 4.38Å
257	S	98.2	Very high	97	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-66.7	157.5	172	61.6	0	0	0	0	111.5	V221 E259 C260 Y261	V221-S257 CarbonylContact O-C 3.59Å; V221-S257 VanDerWaalsContact O-CA 3.24Å; V221-S257 WeakPolarHBondContact O-CA 3.38Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-C260 PolarHBondContact O-N 2.98Å; S257-C260 VanDerWaalsContact O-N 3.14Å; S257-C260 PolarHBondContact OG-N 3.29Å; S257-Y261 PolarHBondContact O-N 3.47Å
258	E	98.2	Very high	97	Very high	31 Å²	31	51 Å²	51	15%	0.145	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.8	168.7	-178	68.9	-169.5	0	0	111.7	R189 V221 C260 Y261 P262 Y263	R189-E258 IonicContact CZ-OE1 3.78Å; R189-E258 IonicContact CZ-OE2 2.63Å; R189-E258 VanDerWaalsContact NH1-CD 3.33Å; R189-E258 IonicContact NH1-OE1 3.89Å; R189-E258 IonicContact NH1-OE2 3.93Å; R189-E258 PolarHBondContact NH1-OE2 3.16Å; R189-E258 IonicContact NH2-OE1 3.33Å; R189-E258 PolarHBondContact NH2-OE1 2.91Å; R189-E258 IonicContact NH2-OE2 3.67Å; R189-E258 PolarHBondContact NH2-OE2 3.25Å; V221-E258 HydrophobicContact CB-CB 4.05Å; V221-E258 HydrophobicContact CG1-CB 3.81Å; V221-E258 HydrophobicContact CG1-CG 4.36Å; V221-E258 PolarHBondContact O-N 2.96Å; E258-C260 VanDerWaalsContact C-N 3.31Å; E258-C260 PolarHBondContact O-N 3.23Å; E258-Y261 CarbonylContact O-C 3.53Å; E258-Y261 PolarHBondContact O-N 2.78Å; E258-P262 VanDerWaalsContact O-CA 3.25Å; E258-P262 WeakPolarHBondContact O-CA 3.5Å; E258-P262 VanDerWaalsContact O-N 3.09Å; E258-Y263 WeakPolarHBondContact OE1-CA 3.38Å; E258-Y263 WeakPolarHBondContact OE1-CB 3.38Å; E258-Y263 PolarHBondContact OE1-N 3.11Å
259	E	98	Very high	97	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-41.7	175.1	-171.8	-163.8	142.5	0	0	111.9	S257 S289 S291	S257-E259 PolarHBondContact O-N 2.97Å; E259-S289 WeakPolarHBondContact O-CB 3.23Å; E259-S289 PolarHBondContact O-OG 2.85Å; E259-S291 PolarHBondContact OE1-OG 2.98Å
260	C	98.3	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-40.5	177.7	177.9	0	0	0	0	112.2	V256 S257 E258 C287 P288 S289 D293	V256-C260 HydrophobicContact CB-CB 3.83Å; V256-C260 HydrophobicContact CG2-CB 3.75Å; V256-C260 VanDerWaalsContact CG2-SG 3.6Å; S257-C260 PolarHBondContact O-N 2.98Å; S257-C260 VanDerWaalsContact O-N 3.14Å; S257-C260 PolarHBondContact OG-N 3.29Å; E258-C260 VanDerWaalsContact C-N 3.31Å; E258-C260 PolarHBondContact O-N 3.23Å; C260-C287 HydrophobicContact CB-CB 3.89Å; C260-C287 WeakPolarHBondContact CB-SG 3.41Å; C260-C287 CarbonylContact O-C 3.48Å; C260-C287 VanDerWaalsContact O-CB 3.31Å; C260-C287 WeakPolarHBondContact O-CB 3.41Å; C260-C287 WeakPolarHBondContact SG-CA 3.26Å; C260-C287 WeakPolarHBondContact SG-CB 3.45Å; C260-C287 CovalentContact SG-SG 2.03Å; C260-C287 PolarHBondContact SG-SG 3.43Å; C260-P288 WeakPolarHBondContact O-CD 3.48Å; C260-S289 PolarHBondContact O-N 3.24Å; C260-S289 PolarHBondContact O-OG 3.06Å; C260-S289 VanDerWaalsContact O-OG 3.1Å; C260-D293 WeakPolarHBondContact CB-O 3.26Å
261	Y	98.5	Very high	96.9	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-131.9	86	-178.4	-158.8	-30.5	0	0	0	110.5	S223 Q225 Q226 S229 S257 E258 E273 R275 I276 P288	S223-Y261 WeakPolarHBondContact CB-O 3.49Å; S223-Y261 WeakPolarHBondContact OG-CB 3.17Å; S223-Y261 PolarHBondContact OG-O 2.78Å; Q225-Y261 HydrophobicContact CB-CD1 3.82Å; Q225-Y261 HydrophobicContact CB-CE1 4.16Å; Q225-Y261 HydrophobicContact CG-CD1 3.54Å; Q225-Y261 HydrophobicContact CG-CE1 3.4Å; Q225-Y261 VanDerWaalsContact CG-CE1 3.4Å; Q226-Y261 HydrophobicContact CB-CD2 3.77Å; Q226-Y261 HydrophobicContact CB-CE2 4.2Å; Q226-Y261 HydrophobicContact CB-CG 4.22Å; Q226-Y261 HydrophobicContact CG-CD2 3.95Å; Q226-Y261 HydrophobicContact CG-CE2 4.15Å; S229-Y261 WeakPolarHBondContact CB-OH 3.31Å; S229-Y261 PolarHBondContact OG-OH 2.58Å; S257-Y261 PolarHBondContact O-N 3.47Å; E258-Y261 CarbonylContact O-C 3.53Å; E258-Y261 PolarHBondContact O-N 2.78Å; Y261-E273 PolarHBondContact OH-O 2.61Å; Y261-R275 HydrophobicContact CE2-CB 4.27Å; Y261-R275 PolarHBondContact OH-N 2.64Å; Y261-R275 VanDerWaalsContact OH-N 3.12Å; Y261-I276 HydrophobicContact CD2-CD1 3.66Å; Y261-I276 HydrophobicContact CD2-CG1 3.97Å; Y261-I276 HydrophobicContact CE2-CB 4.46Å; Y261-I276 HydrophobicContact CE2-CD1 4.22Å; Y261-I276 HydrophobicContact CE2-CG1 4Å; Y261-P288 HydrophobicContact CD1-CB 4.33Å; Y261-P288 HydrophobicContact CD1-CG 3.95Å; Y261-P288 HydrophobicContact CD2-CG 3.75Å; Y261-P288 HydrophobicContact CE1-CB 4.49Å; Y261-P288 HydrophobicContact CE1-CG 4.05Å; Y261-P288 HydrophobicContact CE2-CG 3.84Å; Y261-P288 HydrophobicContact CG-CG 3.79Å
262	P	98.3	Very high	96.8	Very high	52 Å²	52	51.3 Å²	51.3	34%	0.338	26%	0.257	S	S	.	.			trans	-67.4	149.1	-173.4	-24	35.1	0	0	0	114.2	Q225 E258	Q225-P262 WeakPolarHBondContact CB-O 3.45Å; Q225-P262 VanDerWaalsContact CG-O 3.32Å; Q225-P262 WeakPolarHBondContact CG-O 3.11Å; E258-P262 VanDerWaalsContact O-CA 3.25Å; E258-P262 WeakPolarHBondContact O-CA 3.5Å; E258-P262 VanDerWaalsContact O-N 3.09Å
263	Y	98.5	Very high	96.9	Very high	39 Å²	39	52.9 Å²	52.9	15%	0.153	27%	0.266	C	S	.	.			trans	-75.7	124.1	176.4	-172.3	-113.5	0	0	0	112.6	Q191 F200 Q225 L228 E258 G266	Q191-Y263 WeakPolarHBondContact O-CE1 3.23Å; Q191-Y263 PolarHBondContact O-OH 3.17Å; F200-Y263 HydrophobicContact CE2-CD2 4.15Å; F200-Y263 HydrophobicContact CE2-CE1 4.08Å; F200-Y263 AromaticContact CE2-CE2 3.53Å; F200-Y263 HydrophobicContact CE2-CE2 3.53Å; F200-Y263 AromaticContact CE2-CZ 3.49Å; F200-Y263 VanDerWaalsContact CE2-CZ 3.49Å; F200-Y263 AromaticContact CZ-CD1 3.89Å; F200-Y263 HydrophobicContact CZ-CD1 3.89Å; F200-Y263 AromaticContact CZ-CD2 3.94Å; F200-Y263 HydrophobicContact CZ-CD2 3.94Å; F200-Y263 AromaticContact CZ-CE1 3.62Å; F200-Y263 HydrophobicContact CZ-CE1 3.62Å; F200-Y263 AromaticContact CZ-CE2 3.68Å; F200-Y263 HydrophobicContact CZ-CE2 3.68Å; F200-Y263 HydrophobicContact CZ-CG 4.04Å; F200-Y263 AromaticContact CZ-CZ 3.51Å; Q225-Y263 HydrophobicContact CB-CD2 4.31Å; Q225-Y263 VanDerWaalsContact OE1-CD2 3.32Å; L228-Y263 HydrophobicContact CD1-CD2 4.29Å; L228-Y263 HydrophobicContact CD1-CE2 3.56Å; E258-Y263 WeakPolarHBondContact OE1-CA 3.38Å; E258-Y263 WeakPolarHBondContact OE1-CB 3.38Å; E258-Y263 PolarHBondContact OE1-N 3.11Å; Y263-G266 VanDerWaalsContact CE1-N 3.29Å; Y263-G266 VanDerWaalsContact CZ-N 3.25Å; Y263-G266 PolarHBondContact OH-N 2.94Å
264	V	97.9	Very high	97	Very high	72 Å²	72	51.3 Å²	51.3	44%	0.436	26%	0.264	S	S	.	.			trans	-126.7	-22.3	178.5	-61.5	0	0	0	0	112.4	G266 R267 T268	V264-G266 PolarHBondContact O-N 3.17Å; V264-G266 VanDerWaalsContact O-N 3.1Å; V264-R267 PolarHBondContact O-N 3.34Å; V264-T268 PolarHBondContact O-N 2.91Å; V264-T268 PolarHBondContact O-OG1 3.38Å
265	S	98	Very high	97.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-25.8	-172.8	-68.3	0	0	0	0	114.7	C194 Q225 R267 T268 N269 E270	C194-S265 WeakPolarHBondContact CB-O 3.39Å; Q225-S265 PolarHBondContact NE2-OG 2.93Å; Q225-S265 VanDerWaalsContact OE1-N 3.1Å; Q225-S265 PolarHBondContact OE1-OG 3.04Å; S265-R267 PolarHBondContact O-N 2.89Å; S265-T268 WeakPolarHBondContact CA-OG1 3.08Å; S265-T268 PolarHBondContact O-N 3.12Å; S265-N269 WeakPolarHBondContact O-CA 3.45Å; S265-N269 PolarHBondContact O-N 2.89Å; S265-E270 WeakPolarHBondContact CA-O 3.48Å; S265-E270 VanDerWaalsContact CB-O 3.25Å; S265-E270 WeakPolarHBondContact CB-O 3.42Å; S265-E270 PolarHBondContact OG-O 3.15Å
266	G	96.1	Very high	97	Very high	13 Å²	13	59.4 Å²	59.4	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-21.6	176.9	0	0	0	0	0	114	Q191 N193 Y263 V264	Q191-G266 WeakPolarHBondContact O-CA 3.28Å; N193-G266 PolarHBondContact N-O 3.46Å; Y263-G266 VanDerWaalsContact CE1-N 3.29Å; Y263-G266 VanDerWaalsContact CZ-N 3.25Å; Y263-G266 PolarHBondContact OH-N 2.94Å; V264-G266 PolarHBondContact O-N 3.17Å; V264-G266 VanDerWaalsContact O-N 3.1Å
267	R	95.1	Very high	96.8	Very high	234 Å²	234	62.2 Å²	62.2	88%	0.883	31%	0.313	S	S	*	.	H	α-helix	trans	-99.8	-34	176.3	-62.8	-179.3	-178.3	179.5	0.1	112.5	V264 S265	V264-R267 PolarHBondContact O-N 3.34Å; S265-R267 PolarHBondContact O-N 2.89Å
268	T	96.4	Very high	96.5	Very high	75 Å²	75	66.1 Å²	66.1	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-89.4	-15.8	-176.2	63.1	0	0	0	0	113.4	V264 S265 E270	V264-T268 PolarHBondContact O-N 2.91Å; V264-T268 PolarHBondContact O-OG1 3.38Å; S265-T268 WeakPolarHBondContact CA-OG1 3.08Å; S265-T268 PolarHBondContact O-N 3.12Å; T268-E270 PolarHBondContact O-N 2.75Å; T268-E270 VanDerWaalsContact O-N 3.08Å; T268-E270 PolarHBondContact OG1-N 3.14Å; T268-E270 PolarHBondContact OG1-O 3.11Å
269	N	94.8	Very high	96	Very high	55 Å²	55	69.9 Å²	69.9	29%	0.294	36%	0.357	S	S	.	.	S	Bend	trans	59.3	10.2	-170.8	-54.2	-6.6	0	0	0	114.2	N193 C238 S265	N193-N269 WeakPolarHBondContact CB-OD1 3.21Å; N193-N269 VanDerWaalsContact O-CG 3.28Å; N193-N269 PolarHBondContact O-OD1 3.22Å; C238-N269 VanDerWaalsContact CB-O 3.32Å; C238-N269 WeakPolarHBondContact CB-O 3.48Å; C238-N269 PolarHBondContact SG-O 3.3Å; S265-N269 WeakPolarHBondContact O-CA 3.45Å; S265-N269 PolarHBondContact O-N 2.89Å
270	E	96.6	Very high	95.7	Very high	117 Å²	117	66.4 Å²	66.4	55%	0.547	34%	0.344	S	S	.	.	S	Bend	trans	-121.5	142.2	-174.5	-71	-60.8	152.9	0	0	110.3	C238 S265 T268 G272	C238-E270 VanDerWaalsContact SG-C 3.56Å; S265-E270 WeakPolarHBondContact CA-O 3.48Å; S265-E270 VanDerWaalsContact CB-O 3.25Å; S265-E270 WeakPolarHBondContact CB-O 3.42Å; S265-E270 PolarHBondContact OG-O 3.15Å; T268-E270 PolarHBondContact O-N 2.75Å; T268-E270 VanDerWaalsContact O-N 3.08Å; T268-E270 PolarHBondContact OG1-N 3.14Å; T268-E270 PolarHBondContact OG1-O 3.11Å; E270-G272 PolarHBondContact O-N 2.72Å; E270-G272 VanDerWaalsContact O-N 3.16Å
271	P	95.8	Very high	95.2	Very high	30 Å²	30	68.4 Å²	68.4	20%	0.195	36%	0.358	C	S	.	.			trans	-66.2	-16.3	177.5	28.2	-33.8	0	0	0	112.9	Q225 L228 S229	Q225-P271 PolarHBondContact NE2-O 3.27Å; L228-P271 HydrophobicContact CB-CB 4.22Å; L228-P271 WeakPolarHBondContact O-CB 3.28Å; S229-P271 WeakPolarHBondContact CB-O 3.43Å; S229-P271 PolarHBondContact OG-O 3.24Å
272	G	94.4	Very high	94.7	Very high	38 Å²	38	71.8 Å²	71.8	39%	0.392	38%	0.381	S	S	.	.			trans	69.1	166.6	-175.7	0	0	0	0	0	113.4	E270	E270-G272 PolarHBondContact O-N 2.72Å; E270-G272 VanDerWaalsContact O-N 3.16Å
273	E	95.5	Very high	94.2	Very high	160 Å²	160	74.5 Å²	74.5	75%	0.748	40%	0.397	S	S	*	.			trans	-70.4	143.8	177.4	-64.4	-178.4	168.2	0	0	111.8	Y261 R275	Y261-E273 PolarHBondContact OH-O 2.61Å; E273-R275 PolarHBondContact O-N 3Å; E273-R275 VanDerWaalsContact O-N 3.16Å
274	C	97.1	Very high	93.9	Very high	34 Å²	34	78.8 Å²	78.8	23%	0.23	42%	0.418	C	S	.	.			trans	-72.1	108.4	174.7	179.4	0	0	0	0	111	S229 C230 I276	S229-C274 WeakPolarHBondContact O-CB 3.38Å; C230-C274 WeakPolarHBondContact CA-SG 3.46Å; C230-C274 HydrophobicContact CB-CB 3.97Å; C230-C274 WeakPolarHBondContact CB-SG 3.39Å; C230-C274 WeakPolarHBondContact SG-CA 3.45Å; C230-C274 WeakPolarHBondContact SG-CB 3.47Å; C230-C274 CovalentContact SG-SG 2.04Å; C230-C274 PolarHBondContact SG-SG 3.05Å; C274-I276 PolarHBondContact SG-O 3.11Å; C274-I276 VanDerWaalsContact SG-O 3.34Å
275	R	97	Very high	93.9	Very high	165 Å²	165	75.8 Å²	75.8	62%	0.623	40%	0.4	S	S	*	.	S	Bend	trans	-92.7	-5.8	178.3	-62.5	178.5	-173.8	172.1	3	114.3	Y261 E273 P288	Y261-R275 HydrophobicContact CE2-CB 4.27Å; Y261-R275 PolarHBondContact OH-N 2.64Å; Y261-R275 VanDerWaalsContact OH-N 3.12Å; E273-R275 PolarHBondContact O-N 3Å; E273-R275 VanDerWaalsContact O-N 3.16Å; R275-P288 HydrophobicContact CB-CG 3.71Å; R275-P288 HydrophobicContact CG-CG 4.45Å
276	I	96.6	Very high	93.8	Very high	7 Å²	7	84.2 Å²	84.2	4%	0.036	44%	0.436	C	S	.	.	S	Bend	trans	-128.9	80.4	172.2	-52.7	179	0	0	0	109	C230 V256 Y261 C274 I285	C230-I276 PolarHBondContact SG-O 2.84Å; C230-I276 VanDerWaalsContact SG-O 3.32Å; V256-I276 HydrophobicContact CG1-CD1 4.2Å; V256-I276 HydrophobicContact CG2-CD1 4.02Å; Y261-I276 HydrophobicContact CD2-CD1 3.66Å; Y261-I276 HydrophobicContact CD2-CG1 3.97Å; Y261-I276 HydrophobicContact CE2-CB 4.46Å; Y261-I276 HydrophobicContact CE2-CD1 4.22Å; Y261-I276 HydrophobicContact CE2-CG1 4Å; C274-I276 PolarHBondContact SG-O 3.11Å; C274-I276 VanDerWaalsContact SG-O 3.34Å; I276-I285 HydrophobicContact CD1-CG2 3.92Å; I276-I285 HydrophobicContact CG2-CD1 4.48Å; I276-I285 HydrophobicContact CG2-CG1 4.16Å
277	P	94.2	Very high	93.9	Very high	59 Å²	59	84.2 Å²	84.2	38%	0.383	43%	0.434	S	S	.	.			trans	-57.7	157.6	179.1	-26.2	35.3	0	0	0	113.8	S279 T280	P277-S279 PolarHBondContact O-N 2.87Å; P277-T280 WeakPolarHBondContact CD-OG1 3.4Å; P277-T280 WeakPolarHBondContact O-CB 3.43Å; P277-T280 PolarHBondContact O-N 3Å; P277-T280 VanDerWaalsContact O-N 3.08Å; P277-T280 PolarHBondContact O-OG1 2.97Å
278	R	90.8	Very high	94	Very high	84 Å²	84	74.9 Å²	74.9	32%	0.317	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.2	180	-65.2	175.7	-169.5	166.8	8.1	114	C230 Y249 Y253	C230-R278 PolarHBondContact O-NE 2.94Å; C230-R278 PolarHBondContact O-NH2 3.18Å; Y249-R278 HydrophobicContact CE2-CG 4.14Å; Y253-R278 HydrophobicContact CD1-CB 4.03Å; Y253-R278 HydrophobicContact CD1-CG 4.3Å; Y253-R278 HydrophobicContact CD2-CG 4.12Å; Y253-R278 HydrophobicContact CE1-CB 3.7Å; Y253-R278 HydrophobicContact CE1-CG 4.15Å; Y253-R278 HydrophobicContact CE2-CB 4.38Å; Y253-R278 HydrophobicContact CE2-CG 3.95Å; Y253-R278 HydrophobicContact CG-CG 4.29Å
279	S	88.4	Confident	94	Very high	110 Å²	110	74 Å²	74	77%	0.769	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-17.3	177.4	49.1	0	0	0	0	113.2	P277 S281	P277-S279 PolarHBondContact O-N 2.87Å; S279-S281 PolarHBondContact O-N 3.45Å
280	T	90.8	Very high	94.2	Very high	43 Å²	43	74.2 Å²	74.2	26%	0.264	42%	0.416	S	S	.	.	S	Bend	trans	-63.5	124.2	-177.3	-55.4	0	0	0	0	110.5	P277 E284 I285	P277-T280 WeakPolarHBondContact CD-OG1 3.4Å; P277-T280 WeakPolarHBondContact O-CB 3.43Å; P277-T280 PolarHBondContact O-N 3Å; P277-T280 VanDerWaalsContact O-N 3.08Å; P277-T280 PolarHBondContact O-OG1 2.97Å; T280-E284 HydrophobicContact CG2-CB 4.3Å; T280-I285 HydrophobicContact CG2-CG1 3.94Å
281	S	89.6	Confident	94.2	Very high	42 Å²	42	69.6 Å²	69.6	29%	0.294	40%	0.396	S	S	.	.			trans	-62.2	142	172.8	177.6	0	0	0	0	110	S279 T283 E284 I285	S279-S281 PolarHBondContact O-N 3.45Å; S281-T283 PolarHBondContact O-N 2.94Å; S281-T283 PolarHBondContact OG-OG1 3.44Å; S281-E284 PolarHBondContact O-N 3Å; S281-I285 PolarHBondContact O-N 2.77Å
282	P	86.4	Confident	94.2	Very high	79 Å²	79	75.4 Å²	75.4	51%	0.513	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.2	175.4	-27.9	35.7	0	0	0	114.7	V296	P282-V296 HydrophobicContact CB-CG2 4.43Å
283	T	87.9	Confident	94.2	Very high	109 Å²	109	74.8 Å²	74.8	67%	0.669	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.2	178.1	52.3	0	0	0	0	113.8	S281	S281-T283 PolarHBondContact O-N 2.94Å; S281-T283 PolarHBondContact OG-OG1 3.44Å
284	E	93.6	Very high	94.2	Very high	129 Å²	129	72.1 Å²	72.1	60%	0.603	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	2.3	-174.6	-65.9	171	176.4	0	0	112.7	T280 S281 K286	T280-E284 HydrophobicContact CG2-CB 4.3Å; S281-E284 PolarHBondContact O-N 3Å; E284-K286 PolarHBondContact O-N 2.87Å
285	I	96.1	Very high	94.1	Very high	8 Å²	8	76.2 Å²	76.2	4%	0.041	40%	0.402	C	S	.	.			trans	-56.2	131.9	177.6	-70.7	174.9	0	0	0	109.2	V256 I276 T280 S281 R294 V296	V256-I285 HydrophobicContact CG1-CD1 4.36Å; V256-I285 HydrophobicContact CG1-CG2 4.37Å; I276-I285 HydrophobicContact CD1-CG2 3.92Å; I276-I285 HydrophobicContact CG2-CD1 4.48Å; I276-I285 HydrophobicContact CG2-CG1 4.16Å; T280-I285 HydrophobicContact CG2-CG1 3.94Å; S281-I285 PolarHBondContact O-N 2.77Å; I285-R294 HydrophobicContact CB-CB 4.35Å; I285-R294 HydrophobicContact CG2-CB 4.22Å; I285-R294 HydrophobicContact CG2-CG 4.32Å; I285-R294 WeakPolarHBondContact O-CD 3.38Å; I285-V296 HydrophobicContact CD1-CG2 3.19Å
286	K	96.4	Very high	94.1	Very high	177 Å²	177	70.5 Å²	70.5	77%	0.77	39%	0.386	S	S	*	.			trans	-113.3	118.5	167.5	-65.8	-176.1	-179.9	-178.2	0	107.6	E284 P288	E284-K286 PolarHBondContact O-N 2.87Å; K286-P288 WeakPolarHBondContact O-CD 3.49Å
287	C	98	Very high	94	Very high	13 Å²	13	70.6 Å²	70.6	9%	0.088	39%	0.386	C	S	.	.			trans	-67.9	128.1	179.1	-70.4	0	0	0	0	110	C260 S289 G290 S291	C260-C287 HydrophobicContact CB-CB 3.89Å; C260-C287 WeakPolarHBondContact CB-SG 3.41Å; C260-C287 CarbonylContact O-C 3.48Å; C260-C287 VanDerWaalsContact O-CB 3.31Å; C260-C287 WeakPolarHBondContact O-CB 3.41Å; C260-C287 WeakPolarHBondContact SG-CA 3.26Å; C260-C287 WeakPolarHBondContact SG-CB 3.45Å; C260-C287 CovalentContact SG-SG 2.03Å; C260-C287 PolarHBondContact SG-SG 3.43Å; C287-S289 PolarHBondContact O-N 3.4Å; C287-S289 VanDerWaalsContact O-N 3.12Å; C287-G290 PolarHBondContact O-N 3.48Å; C287-S291 VanDerWaalsContact CB-O 3.28Å; C287-S291 WeakPolarHBondContact CB-O 3.2Å; C287-S291 PolarHBondContact SG-O 2.87Å
288	P	97.7	Very high	94.1	Very high	38 Å²	38	70 Å²	70	25%	0.247	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.7	174.2	-32.8	39.6	0	0	0	115.3	C260 Y261 R275 K286	C260-P288 WeakPolarHBondContact O-CD 3.48Å; Y261-P288 HydrophobicContact CD1-CB 4.33Å; Y261-P288 HydrophobicContact CD1-CG 3.95Å; Y261-P288 HydrophobicContact CD2-CG 3.75Å; Y261-P288 HydrophobicContact CE1-CB 4.49Å; Y261-P288 HydrophobicContact CE1-CG 4.05Å; Y261-P288 HydrophobicContact CE2-CG 3.84Å; Y261-P288 HydrophobicContact CG-CG 3.79Å; R275-P288 HydrophobicContact CB-CG 3.71Å; R275-P288 HydrophobicContact CG-CG 4.45Å; K286-P288 WeakPolarHBondContact O-CD 3.49Å
289	S	97.7	Very high	94.4	Very high	57 Å²	57	66.1 Å²	66.1	40%	0.399	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.1	173.2	59.6	0	0	0	0	114.6	E259 C260 C287 S291	E259-S289 WeakPolarHBondContact O-CB 3.23Å; E259-S289 PolarHBondContact O-OG 2.85Å; C260-S289 PolarHBondContact O-N 3.24Å; C260-S289 PolarHBondContact O-OG 3.06Å; C260-S289 VanDerWaalsContact O-OG 3.1Å; C287-S289 PolarHBondContact O-N 3.4Å; C287-S289 VanDerWaalsContact O-N 3.12Å; S289-S291 VanDerWaalsContact C-N 3.32Å; S289-S291 WeakPolarHBondContact OG-CB 3.13Å; S289-S291 PolarHBondContact OG-N 3.46Å; S289-S291 VanDerWaalsContact OG-N 3.13Å
290	G	96.9	Very high	94.7	Very high	59 Å²	59	61.8 Å²	61.8	61%	0.608	33%	0.332	S	S	*	.			trans	80.7	3.9	-166.1	0	0	0	0	0	114.7	C287	C287-G290 PolarHBondContact O-N 3.48Å
291	S	97	Very high	94.8	Very high	20 Å²	20	62.3 Å²	62.3	14%	0.14	34%	0.336	C	S	.	.			trans	-60.6	141	175.6	176.7	0	0	0	0	111.8	E259 C287 S289 D293	E259-S291 PolarHBondContact OE1-OG 2.98Å; C287-S291 VanDerWaalsContact CB-O 3.28Å; C287-S291 WeakPolarHBondContact CB-O 3.2Å; C287-S291 PolarHBondContact SG-O 2.87Å; S289-S291 VanDerWaalsContact C-N 3.32Å; S289-S291 WeakPolarHBondContact OG-CB 3.13Å; S289-S291 PolarHBondContact OG-N 3.46Å; S289-S291 VanDerWaalsContact OG-N 3.13Å; S291-D293 VanDerWaalsContact C-N 3.29Å; S291-D293 PolarHBondContact OG-N 2.9Å; S291-D293 VanDerWaalsContact OG-N 3.14Å
292	E	95.5	Very high	95	Very high	152 Å²	152	61.9 Å²	61.9	71%	0.71	33%	0.332	S	S	*	.	S	Bend	trans	-75.3	-19.2	173.9	-68.8	-61.2	151.3	0	0	112.5	R294	E292-R294 PolarHBondContact O-N 3.29Å
293	D	95.1	Very high	95.4	Very high	25 Å²	25	59.2 Å²	59.2	13%	0.134	31%	0.312	C	S	.	.			trans	-77.1	87.7	177.9	-170.1	1.9	0	0	0	111.7	H220 C260 S291 R295	H220-D293 IonicContact CE1-OD2 3.7Å; H220-D293 PolarHBondContact CE1-OD2 3.28Å; H220-D293 IonicContact ND1-OD2 3.64Å; C260-D293 WeakPolarHBondContact CB-O 3.26Å; S291-D293 VanDerWaalsContact C-N 3.29Å; S291-D293 PolarHBondContact OG-N 2.9Å; S291-D293 VanDerWaalsContact OG-N 3.14Å; D293-R295 VanDerWaalsContact C-N 3.32Å; D293-R295 PolarHBondContact O-N 3.21Å; D293-R295 VanDerWaalsContact OD1-CB 3.29Å; D293-R295 WeakPolarHBondContact OD1-CB 3.37Å; D293-R295 VanDerWaalsContact OD1-CG 3.23Å; D293-R295 WeakPolarHBondContact OD1-CG 3.28Å; D293-R295 IonicContact OD1-CZ 3.6Å; D293-R295 PolarHBondContact OD1-N 2.97Å; D293-R295 IonicContact OD1-NE 3.32Å; D293-R295 PolarHBondContact OD1-NE 3.5Å; D293-R295 IonicContact OD1-NH2 3.33Å; D293-R295 IonicContact OD2-CZ 2.94Å; D293-R295 IonicContact OD2-NE 2.76Å; D293-R295 PolarHBondContact OD2-NE 3.44Å; D293-R295 IonicContact OD2-NH2 3.93Å; D293-R295 PolarHBondContact OD2-NH2 2.6Å
294	R	95.7	Very high	95.7	Very high	105 Å²	105	55.5 Å²	55.5	40%	0.396	29%	0.286	S	S	.	.			trans	-92.7	15.9	-178.7	-62.7	172.4	-76.9	168.6	-2.2	113.4	I285 E292 V296	I285-R294 HydrophobicContact CB-CB 4.35Å; I285-R294 HydrophobicContact CG2-CB 4.22Å; I285-R294 HydrophobicContact CG2-CG 4.32Å; I285-R294 WeakPolarHBondContact O-CD 3.38Å; E292-R294 PolarHBondContact O-N 3.29Å; R294-V296 PolarHBondContact O-N 2.81Å
295	R	95.1	Very high	95.8	Very high	119 Å²	119	49.4 Å²	49.4	45%	0.449	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62	132.5	-175.1	-76.2	179.7	-74.4	-175.2	-11.6	111.5	H220 D293 F297	H220-R295 PolarHBondContact CE1-NH2 3.3Å; H220-R295 VanDerWaalsContact NE2-CZ 3.3Å; H220-R295 PolarHBondContact NE2-NH1 3.06Å; H220-R295 PolarHBondContact NE2-NH2 3.45Å; H220-R295 VanDerWaalsContact NE2-NH2 3.18Å; D293-R295 VanDerWaalsContact C-N 3.32Å; D293-R295 PolarHBondContact O-N 3.21Å; D293-R295 VanDerWaalsContact OD1-CB 3.29Å; D293-R295 WeakPolarHBondContact OD1-CB 3.37Å; D293-R295 VanDerWaalsContact OD1-CG 3.23Å; D293-R295 WeakPolarHBondContact OD1-CG 3.28Å; D293-R295 IonicContact OD1-CZ 3.6Å; D293-R295 PolarHBondContact OD1-N 2.97Å; D293-R295 IonicContact OD1-NE 3.32Å; D293-R295 PolarHBondContact OD1-NE 3.5Å; D293-R295 IonicContact OD1-NH2 3.33Å; D293-R295 IonicContact OD2-CZ 2.94Å; D293-R295 IonicContact OD2-NE 2.76Å; D293-R295 PolarHBondContact OD2-NE 3.44Å; D293-R295 IonicContact OD2-NH2 3.93Å; D293-R295 PolarHBondContact OD2-NH2 2.6Å; R295-F297 HydrophobicContact CB-CE2 4Å; R295-F297 HydrophobicContact CB-CZ 3.9Å; R295-F297 WeakPolarHBondContact O-CE2 3.09Å
296	V	95.8	Very high	95.6	Very high	46 Å²	46	49.5 Å²	49.5	28%	0.279	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-101	119.3	177.5	-178.5	0	0	0	0	110.4	Y253 V256 P282 I285 R294 K298	Y253-V296 WeakPolarHBondContact O-CG1 3.3Å; V256-V296 HydrophobicContact CG1-CG2 4.38Å; P282-V296 HydrophobicContact CB-CG2 4.43Å; I285-V296 HydrophobicContact CD1-CG2 3.19Å; R294-V296 PolarHBondContact O-N 2.81Å; V296-K298 HydrophobicContact CG1-CG 4.27Å
297	F	96.4	Very high	95.5	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.035	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-95.6	130.3	178.4	-56.7	-86.1	0	0	0	110.2	L210 Y218 H220 L222 G254 V255 R295	L210-F297 HydrophobicContact CD1-CB 3.9Å; L210-F297 HydrophobicContact CD1-CD1 4.24Å; L210-F297 HydrophobicContact CD1-CG 4.44Å; Y218-F297 HydrophobicContact CD1-CD1 4.35Å; Y218-F297 AromaticContact CD1-CE1 3.92Å; Y218-F297 HydrophobicContact CD1-CE1 3.92Å; Y218-F297 HydrophobicContact CG-CE1 4.37Å; H220-F297 HydrophobicContact CB-CE2 4.23Å; H220-F297 HydrophobicContact CB-CZ 3.97Å; H220-F297 AromaticContact CD2-CE1 3.7Å; H220-F297 AromaticContact CD2-CZ 3.28Å; H220-F297 WeakPolarHBondContact CD2-CZ 3.1Å; H220-F297 AromaticContact CG-CZ 3.63Å; H220-F297 AromaticContact NE2-CZ 3.99Å; L222-F297 HydrophobicContact CD1-CB 4.37Å; L222-F297 HydrophobicContact CD2-CB 3.69Å; L222-F297 HydrophobicContact CD2-CD1 4.29Å; L222-F297 HydrophobicContact CD2-CD2 3.34Å; L222-F297 HydrophobicContact CD2-CE2 4.06Å; L222-F297 HydrophobicContact CD2-CG 3.5Å; L222-F297 VanDerWaalsContact CD2-CG 3.5Å; G254-F297 CarbonylContact C-O 3.52Å; G254-F297 WeakPolarHBondContact CA-O 3.19Å; V255-F297 PolarHBondContact N-O 3.27Å; V255-F297 WeakPolarHBondContact O-CD2 3.5Å; V255-F297 PolarHBondContact O-N 3.36Å; R295-F297 HydrophobicContact CB-CE2 4Å; R295-F297 HydrophobicContact CB-CZ 3.9Å; R295-F297 WeakPolarHBondContact O-CE2 3.09Å
298	K	96	Very high	95.3	Very high	47 Å²	47	47.3 Å²	47.3	20%	0.204	26%	0.257	C	S	.	.			trans	-127.3	150	-179.1	-62.8	-167.3	-174.3	-150.4	0	110.8	K252 Y253 V296 K416	K252-K298 PolarHBondContact O-NZ 3.12Å; Y253-K298 WeakPolarHBondContact O-CE 3.42Å; Y253-K298 PolarHBondContact O-NZ 2.66Å; Y253-K298 VanDerWaalsContact O-NZ 3.08Å; V296-K298 HydrophobicContact CG1-CG 4.27Å; K298-K416 HydrophobicContact CB-CB 3.9Å; K298-K416 HydrophobicContact CB-CD 3.64Å; K298-K416 HydrophobicContact CB-CG 4.42Å; K298-K416 HydrophobicContact CD-CD 4.06Å; K298-K416 HydrophobicContact CG-CD 4.34Å; K298-K416 WeakPolarHBondContact O-CB 3.49Å; K298-K416 PolarHBondContact O-N 2.81Å
299	M	96.5	Very high	95.2	Very high	3 Å²	3	47 Å²	47	2%	0.015	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-110.7	163.1	174.7	-60.1	-64.9	-76	0	0	110.7	R209 L210 W247 I250 R251 A413 W414	R209-M299 HydrophobicContact CB-CE 4.39Å; L210-M299 HydrophobicContact CD1-SD 3.95Å; L210-M299 HydrophobicContact CD2-SD 4.21Å; L210-M299 HydrophobicContact CG-SD 3.78Å; W247-M299 HydrophobicContact CE3-CB 4.46Å; W247-M299 HydrophobicContact CZ3-CB 4.09Å; W247-M299 HydrophobicContact CZ3-CE 4.21Å; W247-M299 HydrophobicContact CZ3-CG 3.99Å; I250-M299 HydrophobicContact CG2-CB 3.86Å; I250-M299 HydrophobicContact CG2-CG 3.47Å; I250-M299 VanDerWaalsContact CG2-CG 3.47Å; R251-M299 WeakPolarHBondContact CA-O 3.2Å; M299-A413 HydrophobicContact CE-CB 3.77Å; M299-W414 CarbonylContact C-O 3.35Å; M299-W414 WeakPolarHBondContact CA-O 3.01Å
300	T	94.5	Very high	95.2	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	25%	0.247	C	C	.	.			trans	-72.8	176.1	167.4	67.9	0	0	0	0	110	W414	T300-W414 HydrophobicContact CG2-CB 3.87Å; T300-W414 WeakPolarHBondContact CG2-O 3.31Å; T300-W414 PolarHBondContact N-O 3.37Å; T300-W414 WeakPolarHBondContact OG1-CB 3.39Å; T300-W414 PolarHBondContact OG1-N 3.18Å; T300-W414 VanDerWaalsContact OG1-N 3.14Å; T300-W414 PolarHBondContact OG1-O 2.75Å
301	P	92.9	Very high	95.1	Very high	55 Å²	55	45 Å²	45	36%	0.357	22%	0.223	S	C	.	.			trans	-52.5	138	165.4	-19.5	30.6	0	0	0	110.6
302	P	94.6	Very high	95.2	Very high	32 Å²	32	44.1 Å²	44.1	21%	0.208	22%	0.217	C	C	.	.			trans	-67.2	163.2	169.6	34.3	-39.3	0	0	0	110	W247 I411 G412	W247-P302 HydrophobicContact CB-CB 4.07Å; W247-P302 HydrophobicContact CB-CG 3.63Å; W247-P302 HydrophobicContact CD2-CB 3.92Å; W247-P302 HydrophobicContact CD2-CG 4.46Å; W247-P302 HydrophobicContact CE3-CB 4.37Å; W247-P302 HydrophobicContact CG-CB 3.77Å; W247-P302 HydrophobicContact CG-CG 3.88Å; P302-I411 HydrophobicContact CB-CG2 3.66Å; P302-G412 CarbonylContact C-O 2.99Å; P302-G412 WeakPolarHBondContact CA-O 3.4Å
303	Y	94	Very high	95.3	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.094	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.7	172	49.7	-88.2	0	0	0	109.7	I163 R209 I305 E315 I411 G412 W414	I163-Y303 HydrophobicContact CB-CD2 4.04Å; I163-Y303 HydrophobicContact CB-CG 4.44Å; I163-Y303 HydrophobicContact CD1-CD2 4.09Å; I163-Y303 HydrophobicContact CD1-CE2 4.34Å; I163-Y303 HydrophobicContact CD1-CG 4.23Å; I163-Y303 HydrophobicContact CG2-CD2 3.45Å; I163-Y303 VanDerWaalsContact CG2-CD2 3.45Å; I163-Y303 HydrophobicContact CG2-CE2 3.95Å; I163-Y303 HydrophobicContact CG2-CG 4.31Å; R209-Y303 PolarHBondContact NH1-OH 2.84Å; R209-Y303 VanDerWaalsContact NH1-OH 3.15Å; Y303-I305 HydrophobicContact CD2-CG1 4.27Å; Y303-I305 HydrophobicContact CE2-CG1 4.17Å; Y303-E315 PolarHBondContact OH-OE1 3.22Å; Y303-I411 WeakPolarHBondContact O-CA 3.33Å; Y303-G412 VanDerWaalsContact CD1-O 3.27Å; Y303-G412 WeakPolarHBondContact CD1-O 3.35Å; Y303-G412 VanDerWaalsContact CE1-C 3.48Å; Y303-G412 WeakPolarHBondContact CE1-O 3.26Å; Y303-G412 PolarHBondContact N-O 3.49Å; Y303-G412 PolarHBondContact O-N 3.46Å; Y303-W414 AromaticContact CE1-CD1 3.48Å; Y303-W414 VanDerWaalsContact CE1-CD1 3.48Å; Y303-W414 AromaticContact CE1-NE1 3.56Å; Y303-W414 AromaticContact CZ-NE1 3.67Å; Y303-W414 PolarHBondContact OH-NE1 3.37Å; Y303-W414 VanDerWaalsContact OH-NE1 3.09Å
304	R	94.2	Very high	95.4	Very high	31 Å²	31	36.4 Å²	36.4	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.7	173.1	-169.7	167.5	169.7	-111.8	-13.5	109.3	K158 M160 E162 I163 T408 V410	K158-R304 PolarHBondContact O-NH1 3.43Å; M160-R304 HydrophobicContact CE-CB 4.13Å; M160-R304 HydrophobicContact CG-CB 4.36Å; E162-R304 CarbonylContact C-O 3.52Å; E162-R304 WeakPolarHBondContact CA-O 3.35Å; E162-R304 HydrophobicContact CG-CB 4.49Å; E162-R304 HydrophobicContact CG-CG 4.12Å; E162-R304 IonicContact OE1-CZ 2.73Å; E162-R304 IonicContact OE1-NH1 3.97Å; E162-R304 PolarHBondContact OE1-NH1 3.05Å; E162-R304 IonicContact OE1-NH2 3.05Å; E162-R304 PolarHBondContact OE1-NH2 2.86Å; E162-R304 VanDerWaalsContact OE1-NH2 3.16Å; I163-R304 PolarHBondContact N-O 3.44Å; R304-T408 PolarHBondContact NE-O 3.06Å; R304-T408 PolarHBondContact NH2-O 3.21Å; R304-V410 WeakPolarHBondContact CA-O 3.48Å
305	I	95.1	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	147.9	168.5	-62.5	142.3	0	0	0	107.1	I165 Y303 D311 I312 E315 V322 V410	I165-I305 HydrophobicContact CD1-CG1 4.25Å; I165-I305 HydrophobicContact CD1-CG2 3.84Å; Y303-I305 HydrophobicContact CD2-CG1 4.27Å; Y303-I305 HydrophobicContact CE2-CG1 4.17Å; I305-D311 HydrophobicContact CG2-CB 4.29Å; I305-I312 HydrophobicContact CG2-CB 4.44Å; I305-I312 HydrophobicContact CG2-CG1 3.73Å; I305-E315 HydrophobicContact CD1-CB 4.34Å; I305-E315 HydrophobicContact CD1-CG 3.65Å; I305-E315 HydrophobicContact CG1-CB 4.49Å; I305-E315 HydrophobicContact CG1-CG 4.04Å; I305-V322 HydrophobicContact CD1-CB 4.09Å; I305-V322 HydrophobicContact CD1-CG1 3.53Å; I305-V410 HydrophobicContact CB-CB 4.24Å; I305-V410 HydrophobicContact CB-CG1 4.34Å; I305-V410 HydrophobicContact CD1-CB 4.44Å; I305-V410 HydrophobicContact CD1-CG1 3.75Å; I305-V410 PolarHBondContact N-O 3.29Å
306	S	93.2	Very high	95.6	Very high	11 Å²	11	26.1 Å²	26.1	8%	0.077	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-62.4	162.1	177.7	75.3	0	0	0	0	110.9	E162 N308 D311 I312	E162-S306 VanDerWaalsContact OE2-CA 3.27Å; E162-S306 WeakPolarHBondContact OE2-CA 3.37Å; E162-S306 WeakPolarHBondContact OE2-CB 3.27Å; S306-N308 PolarHBondContact O-N 3.25Å; S306-N308 WeakPolarHBondContact OG-CB 3.21Å; S306-N308 PolarHBondContact OG-N 3.27Å; S306-D311 VanDerWaalsContact OG-CB 3.27Å; S306-D311 WeakPolarHBondContact OG-CB 3.23Å; S306-D311 PolarHBondContact OG-OD2 3.35Å; S306-I312 WeakPolarHBondContact O-CG1 3.48Å
307	T	93	Very high	95.7	Very high	66 Å²	66	26.1 Å²	26.1	41%	0.405	14%	0.14	S	C	.	.	S	Bend	trans	-73.1	0.3	173.6	64.1	0	0	0	0	112.3	E309 E407	T307-E309 PolarHBondContact O-N 2.97Å; T307-E407 WeakPolarHBondContact CG2-O 3.29Å
308	N	94.8	Very high	95.6	Very high	77 Å²	77	28 Å²	28	41%	0.412	15%	0.154	S	C	.	.			trans	-73.7	122.3	179.2	-170.8	-56.8	0	0	0	109.9	S306 N310 D311 I312	S306-N308 PolarHBondContact O-N 3.25Å; S306-N308 WeakPolarHBondContact OG-CB 3.21Å; S306-N308 PolarHBondContact OG-N 3.27Å; N308-N310 VanDerWaalsContact C-N 3.27Å; N308-N310 PolarHBondContact O-N 3.21Å; N308-N310 WeakPolarHBondContact OD1-CB 3.29Å; N308-N310 PolarHBondContact OD1-N 2.95Å; N308-D311 HydrophobicContact CB-CB 4.24Å; N308-D311 WeakPolarHBondContact O-CB 3.44Å; N308-D311 PolarHBondContact O-N 3.12Å; N308-I312 PolarHBondContact O-N 3.23Å; N308-I312 VanDerWaalsContact O-N 3.13Å
309	E	96	Very high	95.5	Very high	31 Å²	31	26.4 Å²	26.4	15%	0.145	15%	0.147	C	C	.	.	H	α-helix	trans	-48.6	-45.8	177.8	-176.2	-177.7	-177.5	0	0	113	T307 D311 I312 M313 K377 W379 R399	T307-E309 PolarHBondContact O-N 2.97Å; E309-D311 VanDerWaalsContact C-N 3.31Å; E309-D311 PolarHBondContact O-N 3Å; E309-I312 PolarHBondContact O-N 2.58Å; E309-M313 HydrophobicContact CG-SD 3.88Å; E309-M313 WeakPolarHBondContact O-CB 3.28Å; E309-M313 VanDerWaalsContact O-CG 3.22Å; E309-M313 WeakPolarHBondContact O-CG 3.11Å; E309-M313 PolarHBondContact O-N 3.24Å; E309-K377 VanDerWaalsContact CD-NZ 3.27Å; E309-K377 IonicContact OE1-NZ 3.12Å; E309-K377 PolarHBondContact OE1-NZ 3.03Å; E309-K377 IonicContact OE2-NZ 3.68Å; E309-K377 PolarHBondContact OE2-NZ 2.91Å; E309-W379 HydrophobicContact CG-CH2 4.18Å; E309-W379 HydrophobicContact CG-CZ2 4Å; E309-R399 HydrophobicContact CG-CG 3.87Å; E309-R399 WeakPolarHBondContact OE1-CD 3.3Å; E309-R399 VanDerWaalsContact OE1-CG 3.28Å; E309-R399 WeakPolarHBondContact OE1-CG 3.39Å; E309-R399 IonicContact OE1-CZ 2.64Å; E309-R399 IonicContact OE1-NE 3.69Å; E309-R399 IonicContact OE1-NH1 3Å; E309-R399 PolarHBondContact OE1-NH1 3.29Å
310	N	96.5	Very high	95.6	Very high	56 Å²	56	26.2 Å²	26.2	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-66.9	-31.9	-178.2	-67.1	-36.8	0	0	0	112.5	P167 L171 N308 T314	P167-N310 HydrophobicContact CB-CB 4.18Å; P167-N310 HydrophobicContact CG-CB 4.25Å; L171-N310 HydrophobicContact CD1-CB 3.93Å; N308-N310 VanDerWaalsContact C-N 3.27Å; N308-N310 PolarHBondContact O-N 3.21Å; N308-N310 WeakPolarHBondContact OD1-CB 3.29Å; N308-N310 PolarHBondContact OD1-N 2.95Å; N310-T314 WeakPolarHBondContact O-CB 3.1Å; N310-T314 PolarHBondContact O-N 3.15Å; N310-T314 PolarHBondContact O-OG1 3.5Å
311	D	96.1	Very high	95.8	Very high	20 Å²	20	25.4 Å²	25.4	11%	0.107	14%	0.141	C	C	.	.	H	α-helix	trans	-71.7	-42.8	177	-75.6	-14.3	0	0	0	110.7	I165 P167 I305 S306 N308 E309 T314 E315	I165-D311 HydrophobicContact CB-CB 4.11Å; I165-D311 HydrophobicContact CD1-CB 4.12Å; I165-D311 HydrophobicContact CG2-CB 4.35Å; P167-D311 WeakPolarHBondContact CG-OD1 3.49Å; I305-D311 HydrophobicContact CG2-CB 4.29Å; S306-D311 VanDerWaalsContact OG-CB 3.27Å; S306-D311 WeakPolarHBondContact OG-CB 3.23Å; S306-D311 PolarHBondContact OG-OD2 3.35Å; N308-D311 HydrophobicContact CB-CB 4.24Å; N308-D311 WeakPolarHBondContact O-CB 3.44Å; N308-D311 PolarHBondContact O-N 3.12Å; E309-D311 VanDerWaalsContact C-N 3.31Å; E309-D311 PolarHBondContact O-N 3Å; D311-T314 PolarHBondContact O-N 3Å; D311-E315 WeakPolarHBondContact O-CB 3.41Å; D311-E315 PolarHBondContact O-N 3.07Å
312	I	98.1	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-49.5	174.9	-61.6	165.2	0	0	0	110	I305 S306 N308 E309 T314 E315 I316 V322 I363 W379 E407 V410	I305-I312 HydrophobicContact CG2-CB 4.44Å; I305-I312 HydrophobicContact CG2-CG1 3.73Å; S306-I312 WeakPolarHBondContact O-CG1 3.48Å; N308-I312 PolarHBondContact O-N 3.23Å; N308-I312 VanDerWaalsContact O-N 3.13Å; E309-I312 PolarHBondContact O-N 2.58Å; I312-T314 PolarHBondContact O-N 2.71Å; I312-E315 PolarHBondContact O-N 2.47Å; I312-I316 HydrophobicContact CG2-CD1 3.77Å; I312-I316 VanDerWaalsContact O-CG1 3.3Å; I312-I316 WeakPolarHBondContact O-CG1 3.36Å; I312-I316 PolarHBondContact O-N 2.83Å; I312-V322 HydrophobicContact CG2-CG2 4.3Å; I312-I363 HydrophobicContact CG2-CD1 4.36Å; I312-W379 HydrophobicContact CB-CH2 3.69Å; I312-W379 HydrophobicContact CB-CZ2 4.07Å; I312-W379 HydrophobicContact CD1-CZ2 4.17Å; I312-W379 HydrophobicContact CG2-CH2 3.45Å; I312-W379 VanDerWaalsContact CG2-CH2 3.45Å; I312-W379 HydrophobicContact CG2-CZ2 3.88Å; I312-W379 HydrophobicContact CG2-CZ3 3.87Å; I312-E407 HydrophobicContact CD1-CB 4.07Å; I312-E407 HydrophobicContact CD1-CG 3.95Å; I312-V410 HydrophobicContact CD1-CG2 3.89Å; I312-V410 HydrophobicContact CG1-CG1 4.49Å; I312-V410 HydrophobicContact CG1-CG2 4.3Å; I312-V410 HydrophobicContact CG2-CG1 4.41Å
313	M	98.3	Very high	96.2	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-57	-48.8	176	-70.1	165.9	82.5	0	0	111.6	L171 E309 E315 I316 M317 W366 W379 R399	L171-M313 HydrophobicContact CB-CE 3.74Å; L171-M313 HydrophobicContact CD1-CB 3.78Å; L171-M313 HydrophobicContact CD1-CE 3.99Å; L171-M313 HydrophobicContact CD1-CG 4.47Å; L171-M313 HydrophobicContact CD1-SD 3.87Å; L171-M313 HydrophobicContact CD2-CB 4.3Å; L171-M313 HydrophobicContact CG-CE 4.43Å; E309-M313 HydrophobicContact CG-SD 3.88Å; E309-M313 WeakPolarHBondContact O-CB 3.28Å; E309-M313 VanDerWaalsContact O-CG 3.22Å; E309-M313 WeakPolarHBondContact O-CG 3.11Å; E309-M313 PolarHBondContact O-N 3.24Å; M313-E315 VanDerWaalsContact C-N 3.32Å; M313-E315 PolarHBondContact O-N 3.01Å; M313-I316 PolarHBondContact O-N 2.95Å; M313-M317 WeakPolarHBondContact O-CB 3.46Å; M313-M317 PolarHBondContact O-N 3.22Å; M313-W366 HydrophobicContact CB-CD2 4.43Å; M313-W366 HydrophobicContact CB-CE3 4.21Å; M313-W366 HydrophobicContact CB-CH2 3.88Å; M313-W366 HydrophobicContact CB-CZ2 4.1Å; M313-W366 HydrophobicContact CB-CZ3 3.95Å; M313-W366 HydrophobicContact CE-CD2 3.99Å; M313-W366 HydrophobicContact CE-CG 4.18Å; M313-W366 HydrophobicContact CE-CZ2 3.71Å; M313-W366 HydrophobicContact CG-CD2 3.91Å; M313-W366 HydrophobicContact CG-CE3 4Å; M313-W366 HydrophobicContact CG-CG 4.41Å; M313-W366 HydrophobicContact CG-CH2 4.38Å; M313-W366 HydrophobicContact CG-CZ2 4.28Å; M313-W366 HydrophobicContact CG-CZ3 4.26Å; M313-W366 WeakPolarHBondContact O-CH2 3.47Å; M313-W366 WeakPolarHBondContact O-CZ3 3.25Å; M313-W379 HydrophobicContact CG-CH2 3.64Å; M313-W379 HydrophobicContact CG-CZ3 3.76Å; M313-R399 PolarHBondContact SD-NH1 2.93Å
314	T	97.2	Very high	96.4	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-42.5	-179.2	-64.7	0	0	0	0	111.5	I165 P167 A168 N310 D311 I312 S318	I165-T314 HydrophobicContact CG2-CG2 3.67Å; P167-T314 WeakPolarHBondContact CA-OG1 3.4Å; A168-T314 HydrophobicContact CB-CG2 3.79Å; A168-T314 PolarHBondContact N-OG1 3.18Å; N310-T314 WeakPolarHBondContact O-CB 3.1Å; N310-T314 PolarHBondContact O-N 3.15Å; N310-T314 PolarHBondContact O-OG1 3.5Å; D311-T314 PolarHBondContact O-N 3Å; I312-T314 PolarHBondContact O-N 2.71Å; T314-S318 WeakPolarHBondContact O-CB 2.93Å; T314-S318 PolarHBondContact O-N 3.41Å; T314-S318 PolarHBondContact O-OG 3.32Å
315	E	97	Very high	96.5	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-65.8	-43.9	178.4	177.1	60.2	-163.4	0	0	111.8	I165 R209 Y303 I305 D311 I312 M313 S318 N319 V322	I165-E315 HydrophobicContact CD1-CB 3.98Å; R209-E315 IonicContact CZ-OE1 3.26Å; R209-E315 VanDerWaalsContact CZ-OE1 3.32Å; R209-E315 IonicContact NH1-OE1 2.76Å; R209-E315 PolarHBondContact NH1-OE1 3.41Å; R209-E315 IonicContact NH2-OE1 2.8Å; R209-E315 PolarHBondContact NH2-OE1 2.91Å; Y303-E315 PolarHBondContact OH-OE1 3.22Å; I305-E315 HydrophobicContact CD1-CB 4.34Å; I305-E315 HydrophobicContact CD1-CG 3.65Å; I305-E315 HydrophobicContact CG1-CB 4.49Å; I305-E315 HydrophobicContact CG1-CG 4.04Å; D311-E315 WeakPolarHBondContact O-CB 3.41Å; D311-E315 PolarHBondContact O-N 3.07Å; I312-E315 PolarHBondContact O-N 2.47Å; M313-E315 VanDerWaalsContact C-N 3.32Å; M313-E315 PolarHBondContact O-N 3.01Å; E315-S318 PolarHBondContact O-N 3.35Å; E315-N319 WeakPolarHBondContact O-CA 3.32Å; E315-N319 WeakPolarHBondContact O-CB 3.39Å; E315-N319 PolarHBondContact O-N 2.94Å; E315-N319 WeakPolarHBondContact OE1-CB 3.21Å; E315-N319 PolarHBondContact OE1-ND2 2.89Å; E315-N319 PolarHBondContact OE2-ND2 3.48Å; E315-V322 HydrophobicContact CB-CG1 4.49Å; E315-V322 HydrophobicContact CG-CG1 3.73Å
316	I	98.1	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-50.9	175.9	-67.4	163	0	0	0	110	F175 W181 I312 M313 S318 G320 V322 I363 W366 W379	F175-I316 HydrophobicContact CD1-CG2 4Å; F175-I316 HydrophobicContact CE1-CG2 3.68Å; W181-I316 VanDerWaalsContact CH2-O 3.28Å; W181-I316 WeakPolarHBondContact CH2-O 3.17Å; I312-I316 HydrophobicContact CG2-CD1 3.77Å; I312-I316 VanDerWaalsContact O-CG1 3.3Å; I312-I316 WeakPolarHBondContact O-CG1 3.36Å; I312-I316 PolarHBondContact O-N 2.83Å; M313-I316 PolarHBondContact O-N 2.95Å; I316-S318 VanDerWaalsContact C-N 3.29Å; I316-S318 PolarHBondContact O-N 2.85Å; I316-G320 WeakPolarHBondContact CA-O 3.12Å; I316-G320 WeakPolarHBondContact O-CA 3.38Å; I316-G320 PolarHBondContact O-N 2.91Å; I316-V322 HydrophobicContact CD1-CG2 3.82Å; I316-V322 HydrophobicContact CG1-CB 4.35Å; I316-V322 HydrophobicContact CG1-CG1 3.88Å; I316-V322 HydrophobicContact CG1-CG2 3.69Å; I316-I363 HydrophobicContact CD1-CB 3.97Å; I316-I363 HydrophobicContact CD1-CG2 3.55Å; I316-W366 HydrophobicContact CB-CZ3 4.09Å; I316-W366 HydrophobicContact CG2-CZ3 4.05Å; I316-W379 HydrophobicContact CD1-CE3 4.47Å; I316-W379 HydrophobicContact CD1-CZ3 4.1Å
317	M	96.6	Very high	96.9	Very high	46 Å²	46	19.8 Å²	19.8	23%	0.227	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-36	-178.4	-162.7	172.6	61.9	0	0	113.5	A168 L171 P172 F175 W181 M313 W366	A168-M317 HydrophobicContact CB-CE 3.6Å; L171-M317 HydrophobicContact CD2-CE 3.67Å; L171-M317 HydrophobicContact CD2-SD 4.25Å; P172-M317 HydrophobicContact CG-SD 4.14Å; F175-M317 HydrophobicContact CD2-CG 4.01Å; F175-M317 HydrophobicContact CE2-CB 4.31Å; F175-M317 HydrophobicContact CE2-CG 3.73Å; F175-M317 HydrophobicContact CZ-CB 4.48Å; F175-M317 HydrophobicContact CZ-CG 4.35Å; W181-M317 VanDerWaalsContact CH2-O 3.24Å; W181-M317 WeakPolarHBondContact CH2-O 3.39Å; W181-M317 WeakPolarHBondContact CZ2-O 3.44Å; M313-M317 WeakPolarHBondContact O-CB 3.46Å; M313-M317 PolarHBondContact O-N 3.22Å; M317-W366 HydrophobicContact CB-CH2 4.01Å; M317-W366 HydrophobicContact CG-CH2 4.46Å
318	S	94.3	Very high	97.1	Very high	47 Å²	47	16.6 Å²	16.6	33%	0.329	9%	0.09	S	C	.	.	H	α-helix	trans	-89.3	-36.7	-173.1	-57.9	0	0	0	0	112.5	T314 E315 I316	T314-S318 WeakPolarHBondContact O-CB 2.93Å; T314-S318 PolarHBondContact O-N 3.41Å; T314-S318 PolarHBondContact O-OG 3.32Å; E315-S318 PolarHBondContact O-N 3.35Å; I316-S318 VanDerWaalsContact C-N 3.29Å; I316-S318 PolarHBondContact O-N 2.85Å
319	N	94.6	Very high	97.1	Very high	14 Å²	14	14.5 Å²	14.5	8%	0.075	8%	0.078	C	C	.	.	H	α-helix	trans	-128.6	-3.4	-163	-60.7	-45.2	0	0	0	114.3	E315 W414	E315-N319 WeakPolarHBondContact O-CA 3.32Å; E315-N319 WeakPolarHBondContact O-CB 3.39Å; E315-N319 PolarHBondContact O-N 2.94Å; E315-N319 WeakPolarHBondContact OE1-CB 3.21Å; E315-N319 PolarHBondContact OE1-ND2 2.89Å; E315-N319 PolarHBondContact OE2-ND2 3.48Å; N319-W414 WeakPolarHBondContact OD1-CH2 3.36Å; N319-W414 WeakPolarHBondContact OD1-CZ2 3.46Å
320	G	97.7	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.			trans	98.2	178.5	178.3	0	0	0	0	0	114	R209 I316	R209-G320 PolarHBondContact NH2-O 2.56Å; I316-G320 WeakPolarHBondContact CA-O 3.12Å; I316-G320 WeakPolarHBondContact O-CA 3.38Å; I316-G320 PolarHBondContact O-N 2.91Å
321	P	98.7	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.			trans	-48.5	146.3	-175.6	-30.9	36.9	0	0	0	114.4	A177 I185 D208 R209 I363 I364	A177-P321 HydrophobicContact CB-CG 4.09Å; I185-P321 HydrophobicContact CD1-CG 3.82Å; D208-P321 HydrophobicContact CB-CG 4.1Å; R209-P321 PolarHBondContact NE-O 3.2Å; R209-P321 PolarHBondContact NH2-O 2.84Å; P321-I363 WeakPolarHBondContact CA-O 3.28Å; P321-I363 WeakPolarHBondContact CB-O 3.34Å; P321-I364 HydrophobicContact CB-CG2 3.99Å; P321-I364 HydrophobicContact CG-CB 4.36Å; P321-I364 HydrophobicContact CG-CG2 3.89Å
322	V	98.7	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153.8	178.1	-64.6	0	0	0	0	110.1	I305 I312 E315 I316 R362 I363 V410	I305-V322 HydrophobicContact CD1-CB 4.09Å; I305-V322 HydrophobicContact CD1-CG1 3.53Å; I312-V322 HydrophobicContact CG2-CG2 4.3Å; E315-V322 HydrophobicContact CB-CG1 4.49Å; E315-V322 HydrophobicContact CG-CG1 3.73Å; I316-V322 HydrophobicContact CD1-CG2 3.82Å; I316-V322 HydrophobicContact CG1-CB 4.35Å; I316-V322 HydrophobicContact CG1-CG1 3.88Å; I316-V322 HydrophobicContact CG1-CG2 3.69Å; V322-R362 CarbonylContact O-C 3.47Å; V322-R362 WeakPolarHBondContact O-CA 3.21Å; V322-I363 HydrophobicContact CG2-CB 3.83Å; V322-I363 HydrophobicContact CG2-CD1 4.09Å; V322-I363 HydrophobicContact CG2-CG1 4.18Å; V322-I363 PolarHBondContact N-O 2.99Å; V322-I363 VanDerWaalsContact N-O 3.11Å; V322-I363 PolarHBondContact O-N 3.35Å; V322-V410 HydrophobicContact CB-CG1 3.74Å; V322-V410 HydrophobicContact CG1-CG1 4.45Å; V322-V410 HydrophobicContact CG2-CG1 3.45Å; V322-V410 VanDerWaalsContact CG2-CG1 3.45Å
323	Q	98.6	Very high	96.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.5	172.3	-172.3	180	34.1	0	0	109	S201 T202 V205 L243 V361 V410 I411	S201-Q323 PolarHBondContact OG-NE2 3.1Å; T202-Q323 PolarHBondContact OG1-NE2 3.09Å; V205-Q323 HydrophobicContact CG2-CB 3.96Å; L243-Q323 HydrophobicContact CD1-CG 4.25Å; Q323-V361 WeakPolarHBondContact CA-O 3.43Å; Q323-V410 CarbonylContact O-C 3.58Å; Q323-V410 VanDerWaalsContact O-CA 3.3Å; Q323-V410 WeakPolarHBondContact O-CA 3.24Å; Q323-V410 WeakPolarHBondContact O-CG1 3.44Å; Q323-I411 HydrophobicContact CB-CB 4.35Å; Q323-I411 PolarHBondContact N-O 3.03Å; Q323-I411 PolarHBondContact O-N 3.31Å
324	T	97.9	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.2	169.8	-171.6	0	0	0	0	111	S360 V361 I363 I406	T324-S360 CarbonylContact O-C 3.48Å; T324-S360 WeakPolarHBondContact O-CA 3.44Å; T324-S360 WeakPolarHBondContact O-CB 3.46Å; T324-V361 HydrophobicContact CG2-CG2 3.6Å; T324-V361 PolarHBondContact N-O 3.43Å; T324-V361 PolarHBondContact O-N 3.27Å; T324-I363 HydrophobicContact CG2-CD1 3.82Å; T324-I363 HydrophobicContact CG2-CG1 3.64Å; T324-I406 HydrophobicContact CG2-CD1 3.5Å; T324-I406 HydrophobicContact CG2-CG1 4.27Å; T324-I406 PolarHBondContact OG1-O 2.79Å
325	T	96.9	Very high	96.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.4	163.9	62.3	0	0	0	0	110	T150 L243 H359 D405 F409	T150-T325 HydrophobicContact CG2-CG2 3.97Å; L243-T325 HydrophobicContact CD1-CG2 3.38Å; L243-T325 HydrophobicContact CG-CG2 4.31Å; T325-H359 CarbonylContact C-O 3.39Å; T325-H359 VanDerWaalsContact CA-O 3.23Å; T325-H359 WeakPolarHBondContact CA-O 3.37Å; T325-D405 VanDerWaalsContact O-O 3.09Å; T325-F409 HydrophobicContact CG2-CD1 4.02Å; T325-F409 PolarHBondContact N-O 3.5Å
326	F	97.8	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	158.1	172.7	76	-66.7	0	0	0	110.7	V328 F332 H359 V361 F395 I397 C404 I406	F326-V328 HydrophobicContact CD1-CG2 4.46Å; F326-V328 HydrophobicContact CD2-CG2 4.03Å; F326-V328 HydrophobicContact CE1-CG2 3.86Å; F326-V328 HydrophobicContact CE2-CG2 3.38Å; F326-V328 HydrophobicContact CZ-CG2 3.28Å; F326-V328 PolarHBondContact O-N 2.68Å; F326-F332 HydrophobicContact CE2-CD1 4.44Å; F326-F332 HydrophobicContact CE2-CD2 4.42Å; F326-F332 HydrophobicContact CE2-CE1 4.14Å; F326-F332 HydrophobicContact CE2-CE2 4.11Å; F326-F332 AromaticContact CE2-CZ 3.95Å; F326-F332 HydrophobicContact CE2-CZ 3.95Å; F326-F332 HydrophobicContact CZ-CD1 4.34Å; F326-F332 AromaticContact CZ-CE1 3.69Å; F326-F332 HydrophobicContact CZ-CE1 3.69Å; F326-F332 HydrophobicContact CZ-CE2 4.25Å; F326-F332 AromaticContact CZ-CZ 3.62Å; F326-F332 HydrophobicContact CZ-CZ 3.62Å; F326-H359 HydrophobicContact CD1-CB 4.42Å; F326-H359 HydrophobicContact CE1-CB 4.03Å; F326-H359 AromaticContact CE1-CD2 3.6Å; F326-H359 PolarHBondContact N-O 3.17Å; F326-H359 PolarHBondContact O-N 2.84Å; F326-V361 HydrophobicContact CD1-CG2 4.09Å; F326-V361 HydrophobicContact CE1-CB 4.48Å; F326-V361 HydrophobicContact CE1-CG1 3.73Å; F326-V361 HydrophobicContact CE1-CG2 3.94Å; F326-F395 HydrophobicContact CE1-CZ 4.05Å; F326-F395 HydrophobicContact CE2-CE2 4.41Å; F326-F395 HydrophobicContact CE2-CZ 4.35Å; F326-F395 HydrophobicContact CZ-CE2 4.24Å; F326-F395 AromaticContact CZ-CZ 3.76Å; F326-F395 HydrophobicContact CZ-CZ 3.76Å; F326-I397 HydrophobicContact CD2-CD1 4.25Å; F326-C404 CarbonylContact C-O 3.15Å; F326-C404 VanDerWaalsContact CA-O 3.29Å; F326-C404 WeakPolarHBondContact CA-O 3.39Å; F326-C404 VanDerWaalsContact CB-O 3.26Å; F326-C404 WeakPolarHBondContact CB-O 3.47Å; F326-C404 HydrophobicContact CD2-CB 4.29Å; F326-I406 HydrophobicContact CB-CB 4.08Å; F326-I406 HydrophobicContact CB-CD1 3.51Å; F326-I406 HydrophobicContact CB-CG1 4.38Å; F326-I406 HydrophobicContact CD1-CD1 3.95Å; F326-I406 HydrophobicContact CD2-CD1 4.31Å; F326-I406 HydrophobicContact CG-CD1 3.69Å
327	L	97.5	Very high	95.7	Very high	35 Å²	35	19.8 Å²	19.8	18%	0.183	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110	175.8	-172.3	65.9	0	0	0	109	Y358 C404	L327-Y358 HydrophobicContact CB-CE1 4.12Å; L327-Y358 HydrophobicContact CD1-CD2 4.33Å; L327-Y358 HydrophobicContact CD1-CE1 4.38Å; L327-Y358 HydrophobicContact CD1-CE2 4.18Å; L327-C404 PolarHBondContact N-O 2.62Å; L327-C404 VanDerWaalsContact O-CB 3.31Å; L327-C404 WeakPolarHBondContact O-CB 3.47Å
328	V	97.7	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.4	174.5	170.1	0	0	0	0	108.8	L148 F326 F332 F333 S356 G357 H359	L148-V328 HydrophobicContact CD1-CB 4.05Å; L148-V328 HydrophobicContact CD1-CG1 4.26Å; L148-V328 HydrophobicContact CD2-CB 3.66Å; L148-V328 HydrophobicContact CD2-CG1 3.55Å; L148-V328 HydrophobicContact CD2-CG2 3.9Å; F326-V328 HydrophobicContact CD1-CG2 4.46Å; F326-V328 HydrophobicContact CD2-CG2 4.03Å; F326-V328 HydrophobicContact CE1-CG2 3.86Å; F326-V328 HydrophobicContact CE2-CG2 3.38Å; F326-V328 HydrophobicContact CZ-CG2 3.28Å; F326-V328 PolarHBondContact O-N 2.68Å; V328-F332 HydrophobicContact CB-CD1 4.44Å; V328-F332 HydrophobicContact CG1-CB 3.92Å; V328-F332 HydrophobicContact CG1-CD1 3.67Å; V328-F332 HydrophobicContact CG1-CG 4.15Å; V328-F332 HydrophobicContact CG2-CD1 3.95Å; V328-F332 HydrophobicContact CG2-CE1 4.22Å; V328-F333 HydrophobicContact CG1-CD2 4.39Å; V328-F333 HydrophobicContact CG1-CE2 3.9Å; V328-F333 HydrophobicContact CG1-CZ 4.29Å; V328-S356 CarbonylContact O-C 3.57Å; V328-S356 WeakPolarHBondContact O-CA 3.31Å; V328-S356 VanDerWaalsContact O-CB 3.23Å; V328-S356 WeakPolarHBondContact O-CB 3.08Å; V328-G357 PolarHBondContact N-O 3.18Å; V328-G357 PolarHBondContact O-N 3.23Å; V328-H359 HydrophobicContact CB-CB 4.46Å; V328-H359 HydrophobicContact CG2-CB 3.53Å
329	H	95.3	Very high	95.5	Very high	32 Å²	32	15.9 Å²	15.9	15%	0.148	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	170.4	173.2	-65.8	-93	0	0	0	111.2	D331 F332 H342	H329-D331 WeakPolarHBondContact CB-OD1 3.12Å; H329-D331 PolarHBondContact O-N 2.96Å; H329-F332 WeakPolarHBondContact O-CB 3.26Å; H329-F332 PolarHBondContact O-N 3.25Å; H329-H342 VanDerWaalsContact CB-CE1 3.43Å; H329-H342 WeakPolarHBondContact CB-CE1 3.14Å; H329-H342 WeakPolarHBondContact CB-ND1 3.26Å; H329-H342 AromaticContact CD2-CD2 3.79Å; H329-H342 AromaticContact CD2-CG 3.6Å; H329-H342 AromaticContact CD2-ND1 3.99Å; H329-H342 AromaticContact CE1-CD2 3.72Å; H329-H342 AromaticContact CE1-NE2 3.85Å; H329-H342 AromaticContact CG-CD2 3.65Å; H329-H342 AromaticContact CG-CE1 3.56Å; H329-H342 AromaticContact CG-CG 3.51Å; H329-H342 AromaticContact CG-ND1 3.45Å; H329-H342 AromaticContact CG-NE2 3.7Å; H329-H342 AromaticContact ND1-CD2 3.61Å; H329-H342 AromaticContact ND1-CE1 3.61Å; H329-H342 AromaticContact ND1-CG 3.96Å; H329-H342 AromaticContact ND1-ND1 3.96Å; H329-H342 AromaticContact ND1-NE2 3.39Å; H329-H342 PolarHBondContact ND1-NE2 3.27Å; H329-H342 AromaticContact NE2-CD2 3.84Å
330	E	93	Very high	95.5	Very high	21 Å²	21	15.2 Å²	15.2	10%	0.098	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.2	-175.9	72.4	-72.5	168.2	0	0	113.8	L140 F333 H342 A346 Y353 K355	L140-E330 HydrophobicContact CD1-CB 3.84Å; L140-E330 HydrophobicContact CD2-CB 3.72Å; L140-E330 HydrophobicContact CG-CB 4.46Å; E330-F333 WeakPolarHBondContact O-CD2 3.25Å; E330-H342 IonicContact OE1-CE1 2.86Å; E330-H342 PolarHBondContact OE1-CE1 3.08Å; E330-H342 IonicContact OE2-CE1 2.98Å; E330-A346 HydrophobicContact CG-CB 3.73Å; E330-A346 WeakPolarHBondContact OE1-CB 3.43Å; E330-Y353 WeakPolarHBondContact CB-O 3.47Å; E330-Y353 VanDerWaalsContact CG-O 3.24Å; E330-Y353 WeakPolarHBondContact CG-O 3.44Å; E330-K355 PolarHBondContact N-O 3.13Å
331	D	92.2	Very high	95.2	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.064	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-27.8	-176.9	63.6	-13.7	0	0	0	112.7	W127 H329 F333 M334 Y340 H342 L343	W127-D331 HydrophobicContact CH2-CB 4.03Å; W127-D331 WeakPolarHBondContact CH2-O 3.37Å; W127-D331 HydrophobicContact CZ2-CB 4.13Å; H329-D331 WeakPolarHBondContact CB-OD1 3.12Å; H329-D331 PolarHBondContact O-N 2.96Å; D331-F333 PolarHBondContact O-N 3.49Å; D331-M334 PolarHBondContact O-N 2.64Å; D331-Y340 PolarHBondContact OD1-OH 3.41Å; D331-H342 IonicContact OD1-CE1 3.41Å; D331-H342 IonicContact OD1-CG 2.77Å; D331-H342 IonicContact OD1-ND1 2.87Å; D331-H342 PolarHBondContact OD1-ND1 3.46Å; D331-H342 WeakPolarHBondContact OD2-CA 3.32Å; D331-H342 IonicContact OD2-CE1 3.76Å; D331-H342 IonicContact OD2-CG 2.9Å; D331-H342 IonicContact OD2-ND1 3.79Å; D331-H342 PolarHBondContact OD2-ND1 3.41Å; D331-L343 PolarHBondContact OD2-N 2.74Å
332	F	96.3	Very high	94.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-62.1	-31.7	178.6	-173.9	-105	0	0	0	112.6	F326 V328 H329 M334 Y335 Y340 W385 W389 F395	F326-F332 HydrophobicContact CE2-CD1 4.44Å; F326-F332 HydrophobicContact CE2-CD2 4.42Å; F326-F332 HydrophobicContact CE2-CE1 4.14Å; F326-F332 HydrophobicContact CE2-CE2 4.11Å; F326-F332 AromaticContact CE2-CZ 3.95Å; F326-F332 HydrophobicContact CE2-CZ 3.95Å; F326-F332 HydrophobicContact CZ-CD1 4.34Å; F326-F332 AromaticContact CZ-CE1 3.69Å; F326-F332 HydrophobicContact CZ-CE1 3.69Å; F326-F332 HydrophobicContact CZ-CE2 4.25Å; F326-F332 AromaticContact CZ-CZ 3.62Å; F326-F332 HydrophobicContact CZ-CZ 3.62Å; V328-F332 HydrophobicContact CB-CD1 4.44Å; V328-F332 HydrophobicContact CG1-CB 3.92Å; V328-F332 HydrophobicContact CG1-CD1 3.67Å; V328-F332 HydrophobicContact CG1-CG 4.15Å; V328-F332 HydrophobicContact CG2-CD1 3.95Å; V328-F332 HydrophobicContact CG2-CE1 4.22Å; H329-F332 WeakPolarHBondContact O-CB 3.26Å; H329-F332 PolarHBondContact O-N 3.25Å; F332-M334 PolarHBondContact O-N 3.42Å; F332-M334 VanDerWaalsContact O-N 3.12Å; F332-Y335 VanDerWaalsContact O-CB 3.26Å; F332-Y335 WeakPolarHBondContact O-CB 3.13Å; F332-Y335 PolarHBondContact O-N 3.03Å; F332-Y340 HydrophobicContact CB-CE1 4.43Å; F332-Y340 HydrophobicContact CB-CE2 3.92Å; F332-Y340 AromaticContact CD2-CD1 3.76Å; F332-Y340 HydrophobicContact CD2-CD1 3.76Å; F332-Y340 AromaticContact CD2-CD2 3.82Å; F332-Y340 HydrophobicContact CD2-CD2 3.82Å; F332-Y340 AromaticContact CD2-CE1 3.69Å; F332-Y340 HydrophobicContact CD2-CE1 3.69Å; F332-Y340 AromaticContact CD2-CE2 3.76Å; F332-Y340 HydrophobicContact CD2-CE2 3.76Å; F332-Y340 AromaticContact CD2-CG 3.82Å; F332-Y340 HydrophobicContact CD2-CG 3.82Å; F332-Y340 AromaticContact CD2-CZ 3.69Å; F332-Y340 HydrophobicContact CE2-CD1 4.16Å; F332-Y340 HydrophobicContact CE2-CE1 4.45Å; F332-Y340 HydrophobicContact CE2-CG 4.23Å; F332-Y340 HydrophobicContact CG-CE1 4.44Å; F332-Y340 HydrophobicContact CG-CE2 4.35Å; F332-W385 AromaticContact CD1-CH2 3.63Å; F332-W385 HydrophobicContact CD1-CH2 3.63Å; F332-W385 AromaticContact CD1-CZ3 3.95Å; F332-W385 HydrophobicContact CD1-CZ3 3.95Å; F332-W385 AromaticContact CE1-CH2 3.68Å; F332-W385 HydrophobicContact CE1-CH2 3.68Å; F332-W385 HydrophobicContact CE1-CZ2 4.44Å; F332-W385 AromaticContact CE1-CZ3 3.89Å; F332-W385 HydrophobicContact CE1-CZ3 3.89Å; F332-W389 HydrophobicContact CD1-CZ2 4.23Å; F332-W389 AromaticContact CE1-CH2 3.74Å; F332-W389 HydrophobicContact CE1-CH2 3.74Å; F332-W389 AromaticContact CE1-CZ2 3.79Å; F332-W389 HydrophobicContact CE1-CZ2 3.79Å; F332-W389 HydrophobicContact CE2-CH2 4.02Å; F332-W389 HydrophobicContact CE2-CZ2 4.38Å; F332-W389 AromaticContact CZ-CH2 3.43Å; F332-W389 HydrophobicContact CZ-CH2 3.43Å; F332-W389 VanDerWaalsContact CZ-CH2 3.43Å; F332-W389 AromaticContact CZ-CZ2 3.89Å; F332-W389 HydrophobicContact CZ-CZ2 3.89Å; F332-W389 WeakPolarHBondContact O-CZ2 2.98Å; F332-F395 AromaticContact CE2-CD2 3.67Å; F332-F395 HydrophobicContact CE2-CD2 3.67Å; F332-F395 AromaticContact CE2-CE2 3.87Å; F332-F395 HydrophobicContact CE2-CE2 3.87Å; F332-F395 HydrophobicContact CE2-CG 4.01Å; F332-F395 HydrophobicContact CE2-CZ 4.37Å; F332-F395 AromaticContact CZ-CD1 3.96Å; F332-F395 HydrophobicContact CZ-CD1 3.96Å; F332-F395 AromaticContact CZ-CD2 3.85Å; F332-F395 HydrophobicContact CZ-CD2 3.85Å; F332-F395 AromaticContact CZ-CE1 3.96Å; F332-F395 HydrophobicContact CZ-CE1 3.96Å; F332-F395 AromaticContact CZ-CE2 3.85Å; F332-F395 HydrophobicContact CZ-CE2 3.85Å; F332-F395 AromaticContact CZ-CG 3.89Å; F332-F395 HydrophobicContact CZ-CG 3.89Å; F332-F395 AromaticContact CZ-CZ 3.89Å; F332-F395 HydrophobicContact CZ-CZ 3.89Å
333	F	94.6	Very high	94.3	Very high	15 Å²	15	22.6 Å²	22.6	7%	0.066	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-56.4	-30.3	176	-70.8	-89.2	0	0	0	112.1	F135 L140 G143 V144 R147 L148 V328 E330 D331 W385 W389	F135-F333 WeakPolarHBondContact CE2-O 3.39Å; L140-F333 HydrophobicContact CD1-CD2 4.02Å; L140-F333 HydrophobicContact CD1-CE2 3.91Å; G143-F333 VanDerWaalsContact C-CE1 3.46Å; V144-F333 HydrophobicContact CG2-CE2 4.48Å; V144-F333 HydrophobicContact CG2-CZ 4.27Å; R147-F333 HydrophobicContact CB-CE1 4.03Å; R147-F333 HydrophobicContact CG-CE1 4.41Å; L148-F333 HydrophobicContact CD1-CZ 4.35Å; L148-F333 HydrophobicContact CD2-CE1 4.36Å; L148-F333 HydrophobicContact CD2-CZ 3.88Å; L148-F333 HydrophobicContact CG-CZ 4.17Å; V328-F333 HydrophobicContact CG1-CD2 4.39Å; V328-F333 HydrophobicContact CG1-CE2 3.9Å; V328-F333 HydrophobicContact CG1-CZ 4.29Å; E330-F333 WeakPolarHBondContact O-CD2 3.25Å; D331-F333 PolarHBondContact O-N 3.49Å; F333-W385 HydrophobicContact CD1-CH2 4.08Å; F333-W385 HydrophobicContact CD1-CZ3 4.31Å; F333-W385 HydrophobicContact CE1-CH2 4.17Å; F333-W389 PolarHBondContact O-NE1 2.88Å; F333-W389 VanDerWaalsContact O-NE1 3.15Å
334	M	92.9	Very high	93.6	Very high	80 Å²	80	32.2 Å²	32.2	39%	0.394	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-92.7	-1.9	-179.7	-59.8	178.5	-76.2	0	0	113.5	A129 T130 D331 F332 K336	A129-M334 CarbonylContact C-O 3.48Å; A129-M334 WeakPolarHBondContact CA-O 3.35Å; A129-M334 HydrophobicContact CB-CB 4.02Å; T130-M334 PolarHBondContact N-O 2.88Å; D331-M334 PolarHBondContact O-N 2.64Å; F332-M334 PolarHBondContact O-N 3.42Å; F332-M334 VanDerWaalsContact O-N 3.12Å; M334-K336 PolarHBondContact O-N 3.29Å
335	Y	94.6	Very high	92.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	131.4	-179.4	171	-88	0	0	0	111.9	W127 Y132 F332 G338 Y340 W389 E391 F395 R396	W127-Y335 HydrophobicContact CB-CD2 4.15Å; W127-Y335 HydrophobicContact CB-CE2 4.05Å; W127-Y335 HydrophobicContact CD2-CD2 4.32Å; W127-Y335 AromaticContact CE3-CD2 3.96Å; W127-Y335 HydrophobicContact CE3-CD2 3.96Å; W127-Y335 HydrophobicContact CG-CD2 4.43Å; Y132-Y335 WeakPolarHBondContact CE2-O 3.24Å; Y132-Y335 PolarHBondContact OH-O 3.45Å; F332-Y335 VanDerWaalsContact O-CB 3.26Å; F332-Y335 WeakPolarHBondContact O-CB 3.13Å; F332-Y335 PolarHBondContact O-N 3.03Å; Y335-G338 VanDerWaalsContact CE2-O 3.3Å; Y335-G338 WeakPolarHBondContact CE2-O 3.42Å; Y335-G338 PolarHBondContact OH-O 3.4Å; Y335-Y340 HydrophobicContact CD2-CD2 4.15Å; Y335-Y340 HydrophobicContact CD2-CG 4.39Å; Y335-W389 AromaticContact CD1-CH2 3.6Å; Y335-W389 HydrophobicContact CD1-CH2 3.6Å; Y335-W389 AromaticContact CD1-CZ2 3.87Å; Y335-W389 HydrophobicContact CD1-CZ2 3.87Å; Y335-W389 HydrophobicContact CD1-CZ3 4.13Å; Y335-W389 HydrophobicContact CE1-CH2 4.38Å; Y335-W389 HydrophobicContact CG-CH2 4.27Å; Y335-W389 HydrophobicContact CG-CZ2 4.27Å; Y335-E391 HydrophobicContact CE1-CG 4.39Å; Y335-E391 VanDerWaalsContact OH-CD 3.28Å; Y335-E391 PolarHBondContact OH-OE2 3.17Å; Y335-F395 HydrophobicContact CD1-CB 3.83Å; Y335-F395 HydrophobicContact CE1-CB 3.32Å; Y335-F395 HydrophobicContact CE2-CB 4.42Å; Y335-F395 WeakPolarHBondContact OH-CA 3.49Å; Y335-R396 PolarHBondContact OH-N 3.42Å; Y335-R396 VanDerWaalsContact OH-N 3.12Å
336	K	91.9	Very high	92	Very high	78 Å²	78	37 Å²	37	34%	0.339	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-48.1	175.1	-175.7	51.2	177.9	168.9	0	113.4	K128 T130 Y132 M334 G390 E391	K128-K336 WeakPolarHBondContact O-CA 3.47Å; K128-K336 VanDerWaalsContact O-CB 3.31Å; K128-K336 WeakPolarHBondContact O-CB 3.27Å; K128-K336 PolarHBondContact O-N 3.48Å; T130-K336 HydrophobicContact CG2-CB 3.81Å; T130-K336 HydrophobicContact CG2-CD 3.83Å; T130-K336 HydrophobicContact CG2-CG 3.96Å; Y132-K336 HydrophobicContact CE1-CD 4.47Å; Y132-K336 WeakPolarHBondContact OH-CA 3.41Å; Y132-K336 WeakPolarHBondContact OH-CD 3.49Å; M334-K336 PolarHBondContact O-N 3.29Å; K336-G390 PolarHBondContact NZ-O 2.95Å; K336-G390 CarbonylContact O-C 3.51Å; K336-G390 VanDerWaalsContact O-CA 3.29Å; K336-G390 WeakPolarHBondContact O-CA 3.22Å; K336-E391 PolarHBondContact O-N 3.23Å
337	S	92.4	Very high	91.2	Very high	36 Å²	36	39 Å²	39	25%	0.252	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	166.9	-177.6	58.8	0	0	0	0	111.7	W127 K128 E391	W127-S337 CarbonylContact C-O 3.55Å; W127-S337 WeakPolarHBondContact CA-O 3.36Å; W127-S337 WeakPolarHBondContact CB-O 3.27Å; K128-S337 PolarHBondContact N-O 3.08Å; K128-S337 PolarHBondContact O-N 2.96Å; S337-E391 WeakPolarHBondContact CA-OE1 3.5Å
338	G	90.8	Very high	90.3	Very high	9 Å²	9	45.7 Å²	45.7	9%	0.093	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.5	-173.9	179.2	0	0	0	0	0	113.3	C126 Y335 Y340 E391 R396	C126-G338 CarbonylContact O-C 3.25Å; C126-G338 WeakPolarHBondContact O-CA 3.29Å; Y335-G338 VanDerWaalsContact CE2-O 3.3Å; Y335-G338 WeakPolarHBondContact CE2-O 3.42Å; Y335-G338 PolarHBondContact OH-O 3.4Å; G338-Y340 PolarHBondContact O-N 3.44Å; G338-E391 PolarHBondContact N-OE1 3.41Å; G338-R396 VanDerWaalsContact CA-NH2 3.27Å
339	V	94.5	Very high	89.5	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.7	180	-174	0	0	0	0	109.8	C126 R341 D369 V376 Y378 R396 V398	C126-V339 HydrophobicContact CB-CB 4.24Å; C126-V339 PolarHBondContact O-N 2.88Å; V339-R341 PolarHBondContact O-N 2.87Å; V339-D369 HydrophobicContact CG2-CB 3.65Å; V339-V376 HydrophobicContact CB-CG1 4.07Å; V339-V376 HydrophobicContact CG1-CG1 3.75Å; V339-V376 HydrophobicContact CG2-CB 4.45Å; V339-V376 HydrophobicContact CG2-CG1 4.26Å; V339-Y378 HydrophobicContact CG2-CD1 3.87Å; V339-Y378 HydrophobicContact CG2-CG 4.21Å; V339-R396 HydrophobicContact CG2-CB 4.42Å; V339-V398 HydrophobicContact CG1-CG2 3.81Å
340	Y	95	Very high	89	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.9	-179.7	177.3	-104.3	0	0	0	111.9	W127 D331 F332 Y335 G338 H342 R396 I397 V398	W127-Y340 HydrophobicContact CD2-CD2 4.02Å; W127-Y340 AromaticContact CE2-CD2 3.8Å; W127-Y340 HydrophobicContact CG-CD2 4.33Å; W127-Y340 HydrophobicContact CH2-CE2 4.48Å; W127-Y340 HydrophobicContact CZ2-CD2 4.14Å; W127-Y340 AromaticContact CZ2-CE2 3.97Å; W127-Y340 HydrophobicContact CZ2-CE2 3.97Å; W127-Y340 AromaticContact NE1-CD2 3.92Å; D331-Y340 PolarHBondContact OD1-OH 3.41Å; F332-Y340 HydrophobicContact CB-CE1 4.43Å; F332-Y340 HydrophobicContact CB-CE2 3.92Å; F332-Y340 AromaticContact CD2-CD1 3.76Å; F332-Y340 HydrophobicContact CD2-CD1 3.76Å; F332-Y340 AromaticContact CD2-CD2 3.82Å; F332-Y340 HydrophobicContact CD2-CD2 3.82Å; F332-Y340 AromaticContact CD2-CE1 3.69Å; F332-Y340 HydrophobicContact CD2-CE1 3.69Å; F332-Y340 AromaticContact CD2-CE2 3.76Å; F332-Y340 HydrophobicContact CD2-CE2 3.76Å; F332-Y340 AromaticContact CD2-CG 3.82Å; F332-Y340 HydrophobicContact CD2-CG 3.82Å; F332-Y340 AromaticContact CD2-CZ 3.69Å; F332-Y340 HydrophobicContact CE2-CD1 4.16Å; F332-Y340 HydrophobicContact CE2-CE1 4.45Å; F332-Y340 HydrophobicContact CE2-CG 4.23Å; F332-Y340 HydrophobicContact CG-CE1 4.44Å; F332-Y340 HydrophobicContact CG-CE2 4.35Å; Y335-Y340 HydrophobicContact CD2-CD2 4.15Å; Y335-Y340 HydrophobicContact CD2-CG 4.39Å; G338-Y340 PolarHBondContact O-N 3.44Å; Y340-H342 HydrophobicContact CE1-CB 4.42Å; Y340-H342 WeakPolarHBondContact OH-CB 3.22Å; Y340-R396 VanDerWaalsContact CB-O 3.27Å; Y340-R396 WeakPolarHBondContact CB-O 3.43Å; Y340-R396 PolarHBondContact N-O 2.82Å; Y340-I397 HydrophobicContact CD1-CD1 3.88Å; Y340-I397 HydrophobicContact CD1-CG1 4Å; Y340-I397 HydrophobicContact CE1-CD1 4.39Å; Y340-V398 PolarHBondContact O-N 2.77Å
341	R	92.7	Very high	88.6	Confident	88 Å²	88	61.8 Å²	61.8	33%	0.332	29%	0.29	S	S	.	.			trans	-139.8	123.8	165.8	-178.8	-177	-70.6	-83.9	10	107.1	W127 V339 L343 V398 E401	W127-R341 PolarHBondContact NE1-O 2.91Å; V339-R341 PolarHBondContact O-N 2.87Å; R341-L343 PolarHBondContact O-N 3.27Å; R341-V398 HydrophobicContact CB-CG2 4.12Å; R341-E401 IonicContact CZ-OE2 2.95Å; R341-E401 IonicContact NH1-OE2 2.58Å; R341-E401 PolarHBondContact NH1-OE2 3.05Å; R341-E401 IonicContact NH2-OE1 2.67Å; R341-E401 PolarHBondContact NH2-OE1 3.34Å; R341-E401 VanDerWaalsContact NH2-OE1 3.12Å; R341-E401 IonicContact NH2-OE2 3.1Å; R341-E401 PolarHBondContact NH2-OE2 3.48Å
342	H	90.9	Very high	88.2	Confident	30 Å²	30	66.6 Å²	66.6	14%	0.139	31%	0.312	C	S	.	.			trans	-55.9	131.4	176.1	174.5	51.8	0	0	0	111.2	H329 E330 D331 Y340 H403	H329-H342 VanDerWaalsContact CB-CE1 3.43Å; H329-H342 WeakPolarHBondContact CB-CE1 3.14Å; H329-H342 WeakPolarHBondContact CB-ND1 3.26Å; H329-H342 AromaticContact CD2-CD2 3.79Å; H329-H342 AromaticContact CD2-CG 3.6Å; H329-H342 AromaticContact CD2-ND1 3.99Å; H329-H342 AromaticContact CE1-CD2 3.72Å; H329-H342 AromaticContact CE1-NE2 3.85Å; H329-H342 AromaticContact CG-CD2 3.65Å; H329-H342 AromaticContact CG-CE1 3.56Å; H329-H342 AromaticContact CG-CG 3.51Å; H329-H342 AromaticContact CG-ND1 3.45Å; H329-H342 AromaticContact CG-NE2 3.7Å; H329-H342 AromaticContact ND1-CD2 3.61Å; H329-H342 AromaticContact ND1-CE1 3.61Å; H329-H342 AromaticContact ND1-CG 3.96Å; H329-H342 AromaticContact ND1-ND1 3.96Å; H329-H342 AromaticContact ND1-NE2 3.39Å; H329-H342 PolarHBondContact ND1-NE2 3.27Å; H329-H342 AromaticContact NE2-CD2 3.84Å; E330-H342 IonicContact OE1-CE1 2.86Å; E330-H342 PolarHBondContact OE1-CE1 3.08Å; E330-H342 IonicContact OE2-CE1 2.98Å; D331-H342 IonicContact OD1-CE1 3.41Å; D331-H342 IonicContact OD1-CG 2.77Å; D331-H342 IonicContact OD1-ND1 2.87Å; D331-H342 PolarHBondContact OD1-ND1 3.46Å; D331-H342 WeakPolarHBondContact OD2-CA 3.32Å; D331-H342 IonicContact OD2-CE1 3.76Å; D331-H342 IonicContact OD2-CG 2.9Å; D331-H342 IonicContact OD2-ND1 3.79Å; D331-H342 PolarHBondContact OD2-ND1 3.41Å; Y340-H342 HydrophobicContact CE1-CB 4.42Å; Y340-H342 WeakPolarHBondContact OH-CB 3.22Å; H342-H403 PolarHBondContact N-NE2 2.88Å; H342-H403 VanDerWaalsContact N-NE2 3.11Å
343	L	86	Confident	87.7	Confident	38 Å²	38	72.2 Å²	72.2	20%	0.199	33%	0.334	C	S	.	.			trans	-110.7	129.3	178	-49	174.2	0	0	0	108.8	W127 D331 R341 L345	W127-L343 HydrophobicContact CZ2-CD1 4.03Å; W127-L343 HydrophobicContact CZ2-CG 4.29Å; D331-L343 PolarHBondContact OD2-N 2.74Å; R341-L343 PolarHBondContact O-N 3.27Å; L343-L345 HydrophobicContact CB-CD1 4.01Å; L343-L345 HydrophobicContact CB-CG 3.78Å; L343-L345 HydrophobicContact CD1-CD1 3.83Å; L343-L345 HydrophobicContact CD1-CG 4.47Å; L343-L345 PolarHBondContact O-N 2.93Å
344	R	84.4	Confident	87.3	Confident	201 Å²	201	75.5 Å²	75.5	76%	0.758	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	38.7	178.3	-63.7	-172.9	177.3	123.1	0.1	113.3	A347	R344-A347 HydrophobicContact CB-CB 4.48Å; R344-A347 WeakPolarHBondContact O-CB 3.18Å; R344-A347 PolarHBondContact O-N 3.16Å
345	L	80.9	Confident	87.2	Confident	91 Å²	91	74.3 Å²	74.3	48%	0.476	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-29.7	-177.4	-61.7	176.4	0	0	0	112.2	L343 A347	L343-L345 HydrophobicContact CB-CD1 4.01Å; L343-L345 HydrophobicContact CB-CG 3.78Å; L343-L345 HydrophobicContact CD1-CD1 3.83Å; L343-L345 HydrophobicContact CD1-CG 4.47Å; L343-L345 PolarHBondContact O-N 2.93Å; L345-A347 VanDerWaalsContact C-N 3.28Å; L345-A347 PolarHBondContact O-N 2.83Å
346	A	81.3	Confident	87.2	Confident	10 Å²	10	77 Å²	77	8%	0.083	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-73.1	-20.7	177.8	0	0	0	0	0	113.2	E330 E348 K349 G350 E354	E330-A346 HydrophobicContact CG-CB 3.73Å; E330-A346 WeakPolarHBondContact OE1-CB 3.43Å; A346-E348 PolarHBondContact O-N 3.32Å; A346-K349 WeakPolarHBondContact O-CB 3.13Å; A346-K349 PolarHBondContact O-N 3.33Å; A346-G350 PolarHBondContact O-N 3.06Å; A346-E354 HydrophobicContact CB-CG 4.16Å
347	A	79.9	Confident	87.4	Confident	43 Å²	43	74 Å²	74	36%	0.355	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-58.4	-33.2	179.5	0	0	0	0	0	112.5	R344 L345 K349 G350 E354	R344-A347 HydrophobicContact CB-CB 4.48Å; R344-A347 WeakPolarHBondContact O-CB 3.18Å; R344-A347 PolarHBondContact O-N 3.16Å; L345-A347 VanDerWaalsContact C-N 3.28Å; L345-A347 PolarHBondContact O-N 2.83Å; A347-K349 PolarHBondContact O-N 3.1Å; A347-G350 PolarHBondContact O-N 3.19Å; A347-E354 VanDerWaalsContact CA-CD 3.43Å; A347-E354 HydrophobicContact CB-CG 4.38Å; A347-E354 WeakPolarHBondContact CB-OE1 3.42Å
348	E	78.9	Confident	87.7	Confident	174 Å²	174	74.8 Å²	74.8	81%	0.813	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22	177	-61.4	179.7	177.7	0	0	112.9	A346	A346-E348 PolarHBondContact O-N 3.32Å
349	K	80.6	Confident	88	Confident	149 Å²	149	74.3 Å²	74.3	65%	0.648	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-91.1	-16.8	-178.8	-59.6	-177.5	179.5	178.7	0	113.2	A346 A347 Y353	A346-K349 WeakPolarHBondContact O-CB 3.13Å; A346-K349 PolarHBondContact O-N 3.33Å; A347-K349 PolarHBondContact O-N 3.1Å; K349-Y353 HydrophobicContact CB-CD2 3.5Å; K349-Y353 VanDerWaalsContact CB-CD2 3.5Å; K349-Y353 HydrophobicContact CB-CE2 3.96Å; K349-Y353 HydrophobicContact CB-CG 4.05Å; K349-Y353 WeakPolarHBondContact O-CD2 3.5Å; K349-Y353 WeakPolarHBondContact O-CE2 3.37Å
350	G	85	Confident	88.2	Confident	23 Å²	23	74.3 Å²	74.3	24%	0.237	35%	0.345	C	S	.	.			trans	112.4	158.6	179.4	0	0	0	0	0	114.2	A346 A347 Q352 Y353	A346-G350 PolarHBondContact O-N 3.06Å; A347-G350 PolarHBondContact O-N 3.19Å; G350-Q352 PolarHBondContact O-N 2.7Å; G350-Y353 WeakPolarHBondContact O-CB 3.15Å; G350-Y353 PolarHBondContact O-N 2.73Å
351	R	84.3	Confident	88.4	Confident	219 Å²	219	74.4 Å²	74.4	83%	0.826	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-58.2	-26.6	-168.5	-60.5	-171.3	-157.2	153.3	5.1	114.8	Y353 E354	R351-Y353 PolarHBondContact O-N 3.05Å; R351-E354 PolarHBondContact O-N 3.13Å
352	Q	84.3	Confident	88.6	Confident	113 Å²	113	70.7 Å²	70.7	53%	0.528	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-65.5	-19.9	177.3	69.7	-81.6	12.2	0	0	113	G350 K355	G350-Q352 PolarHBondContact O-N 2.7Å; Q352-K355 WeakPolarHBondContact O-CE 3.46Å
353	Y	85.3	Confident	89	Confident	119 Å²	119	69.3 Å²	69.3	47%	0.467	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-92.6	-15.3	175.6	-59.7	-76.7	0	0	0	112.8	L140 E330 K349 G350 R351 K355	L140-Y353 WeakPolarHBondContact CD2-O 3.32Å; E330-Y353 WeakPolarHBondContact CB-O 3.47Å; E330-Y353 VanDerWaalsContact CG-O 3.24Å; E330-Y353 WeakPolarHBondContact CG-O 3.44Å; K349-Y353 HydrophobicContact CB-CD2 3.5Å; K349-Y353 VanDerWaalsContact CB-CD2 3.5Å; K349-Y353 HydrophobicContact CB-CE2 3.96Å; K349-Y353 HydrophobicContact CB-CG 4.05Å; K349-Y353 WeakPolarHBondContact O-CD2 3.5Å; K349-Y353 WeakPolarHBondContact O-CE2 3.37Å; G350-Y353 WeakPolarHBondContact O-CB 3.15Å; G350-Y353 PolarHBondContact O-N 2.73Å; R351-Y353 PolarHBondContact O-N 3.05Å; Y353-K355 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 3.33Å
354	E	86.4	Confident	89.6	Confident	83 Å²	83	67.6 Å²	67.6	39%	0.388	32%	0.316	S	S	.	.			trans	-90.8	57.1	179.3	-64.8	-179.3	89.3	0	0	111.7	A346 A347 R351	A346-E354 HydrophobicContact CB-CG 4.16Å; A347-E354 VanDerWaalsContact CA-CD 3.43Å; A347-E354 HydrophobicContact CB-CG 4.38Å; A347-E354 WeakPolarHBondContact CB-OE1 3.42Å; R351-E354 PolarHBondContact O-N 3.13Å
355	K	92.3	Very high	90.3	Very high	56 Å²	56	58 Å²	58	24%	0.243	28%	0.28	C	S	.	.			trans	-89.4	136.9	178.1	-56.6	-166	175.7	-169.5	0	110.9	L140 D141 V144 E330 Q352 Y353	L140-K355 HydrophobicContact CD2-CB 3.62Å; L140-K355 HydrophobicContact CD2-CD 4.11Å; L140-K355 HydrophobicContact CD2-CG 3.7Å; L140-K355 HydrophobicContact CG-CB 3.83Å; L140-K355 HydrophobicContact CG-CD 4.09Å; L140-K355 HydrophobicContact CG-CG 4.11Å; D141-K355 VanDerWaalsContact OD1-CD 3.28Å; D141-K355 WeakPolarHBondContact OD1-CD 3.43Å; D141-K355 WeakPolarHBondContact OD1-CE 2.84Å; D141-K355 IonicContact OD1-NZ 3.06Å; D141-K355 PolarHBondContact OD1-NZ 2.81Å; D141-K355 IonicContact OD2-NZ 3.88Å; D141-K355 PolarHBondContact OD2-NZ 2.93Å; V144-K355 HydrophobicContact CG2-CB 4.1Å; E330-K355 PolarHBondContact N-O 3.13Å; Q352-K355 WeakPolarHBondContact O-CE 3.46Å; Y353-K355 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 3.33Å
356	S	94	Very high	91.1	Very high	57 Å²	57	53.8 Å²	53.8	40%	0.399	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.5	175.4	58.4	0	0	0	0	111.5	V328	V328-S356 CarbonylContact O-C 3.57Å; V328-S356 WeakPolarHBondContact O-CA 3.31Å; V328-S356 VanDerWaalsContact O-CB 3.23Å; V328-S356 WeakPolarHBondContact O-CB 3.08Å
357	G	96	Very high	91.9	Very high	15 Å²	15	53.3 Å²	53.3	16%	0.155	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	161.4	175	0	0	0	0	0	112.2	V328	V328-G357 PolarHBondContact N-O 3.18Å; V328-G357 PolarHBondContact O-N 3.23Å
358	Y	97.5	Very high	92.7	Very high	51 Å²	51	52.1 Å²	52.1	20%	0.2	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135	179.2	-77.8	-76.8	0	0	0	111.7	T150 Y152 L327 D405	T150-Y358 PolarHBondContact N-O 2.94Å; T150-Y358 WeakPolarHBondContact O-CB 3.39Å; Y152-Y358 HydrophobicContact CD1-CE2 4.11Å; Y152-Y358 AromaticContact CD2-CD1 3.5Å; Y152-Y358 HydrophobicContact CD2-CD1 3.5Å; Y152-Y358 VanDerWaalsContact CD2-CD1 3.5Å; Y152-Y358 AromaticContact CD2-CD2 3.55Å; Y152-Y358 HydrophobicContact CD2-CD2 3.55Å; Y152-Y358 AromaticContact CD2-CE1 3.34Å; Y152-Y358 HydrophobicContact CD2-CE1 3.34Å; Y152-Y358 AromaticContact CD2-CE2 3.35Å; Y152-Y358 HydrophobicContact CD2-CE2 3.35Å; Y152-Y358 AromaticContact CD2-CG 3.59Å; Y152-Y358 HydrophobicContact CD2-CG 3.59Å; Y152-Y358 AromaticContact CD2-CZ 3.26Å; Y152-Y358 AromaticContact CE2-CD1 3.89Å; Y152-Y358 HydrophobicContact CE2-CD1 3.89Å; Y152-Y358 HydrophobicContact CE2-CD2 4.43Å; Y152-Y358 AromaticContact CE2-CE1 3.3Å; Y152-Y358 HydrophobicContact CE2-CE1 3.3Å; Y152-Y358 AromaticContact CE2-CE2 3.88Å; Y152-Y358 HydrophobicContact CE2-CE2 3.88Å; Y152-Y358 HydrophobicContact CE2-CG 4.41Å; Y152-Y358 AromaticContact CE2-CZ 3.28Å; Y152-Y358 HydrophobicContact CG-CD1 4.48Å; Y152-Y358 AromaticContact CG-CD2 3.72Å; Y152-Y358 HydrophobicContact CG-CD2 3.72Å; Y152-Y358 HydrophobicContact CG-CE1 4.33Å; Y152-Y358 AromaticContact CG-CE2 3.5Å; Y152-Y358 HydrophobicContact CG-CE2 3.5Å; Y152-Y358 VanDerWaalsContact CG-CE2 3.5Å; Y152-Y358 HydrophobicContact CG-CG 4.18Å; Y152-Y358 AromaticContact CG-CZ 3.84Å; Y152-Y358 AromaticContact CZ-CZ 3.85Å; L327-Y358 HydrophobicContact CB-CE1 4.12Å; L327-Y358 HydrophobicContact CD1-CD2 4.33Å; L327-Y358 HydrophobicContact CD1-CE1 4.38Å; L327-Y358 HydrophobicContact CD1-CE2 4.18Å; Y358-D405 HydrophobicContact CE1-CB 4.4Å; Y358-D405 PolarHBondContact OH-OD2 2.57Å
359	H	98.2	Very high	93.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.8	175.7	-173.1	52.6	0	0	0	109.1	R147 L148 S197 T325 F326 V328 N383 W385	R147-H359 PolarHBondContact O-CE1 3.03Å; R147-H359 PolarHBondContact O-ND1 3.3Å; L148-H359 HydrophobicContact CB-CB 4.27Å; L148-H359 HydrophobicContact CD2-CB 4.01Å; L148-H359 PolarHBondContact O-ND1 3.45Å; S197-H359 WeakPolarHBondContact CB-CE1 3.39Å; S197-H359 WeakPolarHBondContact CB-ND1 3.15Å; S197-H359 PolarHBondContact OG-ND1 3.18Å; T325-H359 CarbonylContact C-O 3.39Å; T325-H359 VanDerWaalsContact CA-O 3.23Å; T325-H359 WeakPolarHBondContact CA-O 3.37Å; F326-H359 HydrophobicContact CD1-CB 4.42Å; F326-H359 HydrophobicContact CE1-CB 4.03Å; F326-H359 AromaticContact CE1-CD2 3.6Å; F326-H359 PolarHBondContact N-O 3.17Å; F326-H359 PolarHBondContact O-N 2.84Å; V328-H359 HydrophobicContact CB-CB 4.46Å; V328-H359 HydrophobicContact CG2-CB 3.53Å; H359-N383 PolarHBondContact NE2-OD1 3.07Å; H359-W385 AromaticContact CE1-NE1 3.63Å; H359-W385 AromaticContact NE2-NE1 3.76Å
360	S	98.4	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.3	175.1	58.4	0	0	0	0	111.6	T150 S197 W198 S201 T324	T150-S360 VanDerWaalsContact OG1-CB 3.28Å; T150-S360 WeakPolarHBondContact OG1-CB 3.22Å; T150-S360 PolarHBondContact OG1-N 2.87Å; T150-S360 PolarHBondContact OG1-OG 3.44Å; S197-S360 VanDerWaalsContact C-OG 3.32Å; S197-S360 PolarHBondContact O-OG 2.94Å; S197-S360 PolarHBondContact OG-OG 3.45Å; W198-S360 WeakPolarHBondContact CA-OG 3.08Å; W198-S360 PolarHBondContact N-OG 3.4Å; S201-S360 WeakPolarHBondContact OG-CB 2.95Å; S201-S360 PolarHBondContact OG-OG 2.8Å; T324-S360 CarbonylContact O-C 3.48Å; T324-S360 WeakPolarHBondContact O-CA 3.44Å; T324-S360 WeakPolarHBondContact O-CB 3.46Å
361	V	98.7	Very high	93.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	176.8	-175.1	-65.5	0	0	0	0	109.1	Q323 T324 F326 C381 F395 I406	Q323-V361 WeakPolarHBondContact CA-O 3.43Å; T324-V361 HydrophobicContact CG2-CG2 3.6Å; T324-V361 PolarHBondContact N-O 3.43Å; T324-V361 PolarHBondContact O-N 3.27Å; F326-V361 HydrophobicContact CD1-CG2 4.09Å; F326-V361 HydrophobicContact CE1-CB 4.48Å; F326-V361 HydrophobicContact CE1-CG1 3.73Å; F326-V361 HydrophobicContact CE1-CG2 3.94Å; V361-C381 HydrophobicContact CG2-CB 4.32Å; V361-F395 HydrophobicContact CB-CE1 4.38Å; V361-F395 HydrophobicContact CG1-CE1 4.01Å; V361-F395 HydrophobicContact CG1-CZ 4.27Å; V361-F395 HydrophobicContact CG2-CE1 4.34Å; V361-F395 HydrophobicContact CG2-CZ 4.01Å; V361-I406 HydrophobicContact CG2-CD1 4.43Å
362	R	98.2	Very high	92.8	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133	170.6	64.6	-179	168.6	164.4	2	110.7	Y186 P187 V205 D208 V322 I364 C381 A382	Y186-R362 PolarHBondContact O-NH1 3.15Å; Y186-R362 VanDerWaalsContact O-NH1 3.13Å; Y186-R362 PolarHBondContact O-NH2 3.19Å; P187-R362 PolarHBondContact O-NH2 3.03Å; V205-R362 HydrophobicContact CG2-CB 3.5Å; D208-R362 VanDerWaalsContact CG-NH1 3.27Å; D208-R362 IonicContact OD1-NH1 3.96Å; D208-R362 PolarHBondContact OD1-NH1 3.33Å; D208-R362 IonicContact OD2-CZ 3.84Å; D208-R362 IonicContact OD2-NE 2.96Å; D208-R362 IonicContact OD2-NH1 3.45Å; D208-R362 PolarHBondContact OD2-NH1 3.19Å; V322-R362 CarbonylContact O-C 3.47Å; V322-R362 WeakPolarHBondContact O-CA 3.21Å; R362-I364 HydrophobicContact CG-CG2 4.04Å; R362-C381 CarbonylContact O-C 3.5Å; R362-C381 WeakPolarHBondContact O-CA 3.11Å; R362-A382 HydrophobicContact CG-CB 3.77Å; R362-A382 PolarHBondContact N-O 3.09Å; R362-A382 PolarHBondContact O-N 2.77Å
363	I	98.9	Very high	92.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.2	171	-48.9	176.8	0	0	0	107.2	I312 I316 P321 V322 T324 G365 W379	I312-I363 HydrophobicContact CG2-CD1 4.36Å; I316-I363 HydrophobicContact CD1-CB 3.97Å; I316-I363 HydrophobicContact CD1-CG2 3.55Å; P321-I363 WeakPolarHBondContact CA-O 3.28Å; P321-I363 WeakPolarHBondContact CB-O 3.34Å; V322-I363 HydrophobicContact CG2-CB 3.83Å; V322-I363 HydrophobicContact CG2-CD1 4.09Å; V322-I363 HydrophobicContact CG2-CG1 4.18Å; V322-I363 PolarHBondContact N-O 2.99Å; V322-I363 VanDerWaalsContact N-O 3.11Å; V322-I363 PolarHBondContact O-N 3.35Å; T324-I363 HydrophobicContact CG2-CD1 3.82Å; T324-I363 HydrophobicContact CG2-CG1 3.64Å; I363-G365 WeakPolarHBondContact CG2-O 3.49Å; I363-W379 HydrophobicContact CD1-CD2 4.37Å; I363-W379 HydrophobicContact CD1-CG 4.44Å; I363-W379 HydrophobicContact CG2-CB 4.13Å; I363-W379 HydrophobicContact CG2-CD2 4.18Å; I363-W379 HydrophobicContact CG2-CE3 3.71Å; I363-W379 HydrophobicContact CG2-CG 4.39Å
364	I	98.7	Very high	92.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-7.4	-178	63.3	167.5	0	0	0	112.6	A177 R178 I185 P321 R362 L380 A382 L394	A177-I364 HydrophobicContact CB-CB 4.33Å; A177-I364 WeakPolarHBondContact CB-O 3.35Å; A177-I364 PolarHBondContact N-O 3.01Å; R178-I364 HydrophobicContact CG-CD1 4.44Å; I185-I364 HydrophobicContact CG2-CG2 4.37Å; P321-I364 HydrophobicContact CB-CG2 3.99Å; P321-I364 HydrophobicContact CG-CB 4.36Å; P321-I364 HydrophobicContact CG-CG2 3.89Å; R362-I364 HydrophobicContact CG-CG2 4.04Å; I364-L380 HydrophobicContact CD1-CD2 3.98Å; I364-L380 HydrophobicContact CD1-CG 4.13Å; I364-L380 HydrophobicContact CG1-CB 4.39Å; I364-L380 HydrophobicContact CG1-CD2 3.96Å; I364-L380 HydrophobicContact CG1-CG 3.86Å; I364-L380 WeakPolarHBondContact CG1-O 3.15Å; I364-L380 PolarHBondContact N-O 3.2Å; I364-A382 HydrophobicContact CG2-CB 4.33Å; I364-L394 HydrophobicContact CD1-CD1 4.26Å; I364-L394 HydrophobicContact CD1-CD2 4.05Å
365	G	98.6	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	-168.6	-175.9	0	0	0	0	0	113.9	F175 I363 L380	F175-G365 CarbonylContact O-C 2.99Å; F175-G365 WeakPolarHBondContact O-CA 3.5Å; I363-G365 WeakPolarHBondContact CG2-O 3.49Å; G365-L380 PolarHBondContact N-O 2.8Å; G365-L380 PolarHBondContact O-N 2.7Å
366	W	98.7	Very high	92.3	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	168.5	176.3	65	85.9	0	0	0	110.5	P172 E173 M174 F175 M313 I316 M317 Y378 W379	P172-W366 HydrophobicContact CG-CZ2 3.84Å; P172-W366 PolarHBondContact O-NE1 2.8Å; E173-W366 PolarHBondContact O-NE1 2.89Å; M174-W366 WeakPolarHBondContact CA-O 3.38Å; F175-W366 HydrophobicContact CB-CD2 3.73Å; F175-W366 VanDerWaalsContact CB-CE2 3.45Å; F175-W366 HydrophobicContact CB-CE3 3.8Å; F175-W366 HydrophobicContact CB-CH2 3.41Å; F175-W366 VanDerWaalsContact CB-CH2 3.41Å; F175-W366 HydrophobicContact CB-CZ2 3.35Å; F175-W366 HydrophobicContact CB-CZ3 3.63Å; F175-W366 HydrophobicContact CD1-CE3 4.04Å; F175-W366 AromaticContact CD1-CH2 3.89Å; F175-W366 HydrophobicContact CD1-CH2 3.89Å; F175-W366 AromaticContact CD1-CZ3 3.51Å; F175-W366 HydrophobicContact CD1-CZ3 3.51Å; F175-W366 HydrophobicContact CD2-CH2 4.17Å; F175-W366 HydrophobicContact CE1-CZ3 4.37Å; F175-W366 HydrophobicContact CG-CE3 4.24Å; F175-W366 AromaticContact CG-CH2 3.55Å; F175-W366 HydrophobicContact CG-CH2 3.55Å; F175-W366 HydrophobicContact CG-CZ2 4.01Å; F175-W366 AromaticContact CG-CZ3 3.67Å; F175-W366 HydrophobicContact CG-CZ3 3.67Å; F175-W366 PolarHBondContact N-O 3.21Å; F175-W366 PolarHBondContact O-N 3.34Å; M313-W366 HydrophobicContact CB-CD2 4.43Å; M313-W366 HydrophobicContact CB-CE3 4.21Å; M313-W366 HydrophobicContact CB-CH2 3.88Å; M313-W366 HydrophobicContact CB-CZ2 4.1Å; M313-W366 HydrophobicContact CB-CZ3 3.95Å; M313-W366 HydrophobicContact CE-CD2 3.99Å; M313-W366 HydrophobicContact CE-CG 4.18Å; M313-W366 HydrophobicContact CE-CZ2 3.71Å; M313-W366 HydrophobicContact CG-CD2 3.91Å; M313-W366 HydrophobicContact CG-CE3 4Å; M313-W366 HydrophobicContact CG-CG 4.41Å; M313-W366 HydrophobicContact CG-CH2 4.38Å; M313-W366 HydrophobicContact CG-CZ2 4.28Å; M313-W366 HydrophobicContact CG-CZ3 4.26Å; M313-W366 WeakPolarHBondContact O-CH2 3.47Å; M313-W366 WeakPolarHBondContact O-CZ3 3.25Å; I316-W366 HydrophobicContact CB-CZ3 4.09Å; I316-W366 HydrophobicContact CG2-CZ3 4.05Å; M317-W366 HydrophobicContact CB-CH2 4.01Å; M317-W366 HydrophobicContact CG-CH2 4.46Å; W366-Y378 VanDerWaalsContact CA-O 3.24Å; W366-Y378 WeakPolarHBondContact CA-O 3.1Å; W366-Y378 VanDerWaalsContact CB-O 3.25Å; W366-Y378 WeakPolarHBondContact CB-O 3.46Å; W366-W379 HydrophobicContact CB-CE3 3.89Å; W366-W379 HydrophobicContact CB-CZ3 4.1Å; W366-W379 HydrophobicContact CE3-CZ3 4.27Å
367	G	97.9	Very high	92.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	-166.2	171.2	0	0	0	0	0	112.8	E173 K377 Y378 R399	E173-G367 WeakPolarHBondContact O-CA 3.46Å; G367-K377 WeakPolarHBondContact O-CA 3.41Å; G367-Y378 VanDerWaalsContact C-CE1 3.48Å; G367-Y378 PolarHBondContact N-O 3.17Å; G367-Y378 VanDerWaalsContact N-O 3.09Å; G367-Y378 PolarHBondContact O-N 3.27Å; G367-R399 PolarHBondContact O-NH2 3.45Å; G367-R399 VanDerWaalsContact O-NH2 3.12Å
368	V	95.5	Very high	92.5	Very high	18 Å²	18	33 Å²	33	11%	0.109	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.6	171.9	-175.4	0	0	0	0	107.7	E173 H370 P375 V376 K377	E173-V368 HydrophobicContact CG-CB 4.14Å; E173-V368 HydrophobicContact CG-CG2 3.51Å; V368-H370 WeakPolarHBondContact CG1-NE2 3.35Å; V368-P375 HydrophobicContact CG1-CB 3.54Å; V368-V376 WeakPolarHBondContact CA-O 3.16Å; V368-K377 HydrophobicContact CG2-CG 4.25Å
369	D	89.5	Confident	92.6	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.9	173.1	-170.9	-62.4	0	0	0	109.1	V339 S371 P375 V376 Y378 R396	V339-D369 HydrophobicContact CG2-CB 3.65Å; D369-S371 WeakPolarHBondContact OD1-CB 3.42Å; D369-S371 PolarHBondContact OD1-N 3.36Å; D369-S371 PolarHBondContact OD1-OG 3.04Å; D369-P375 WeakPolarHBondContact O-CA 3.36Å; D369-V376 PolarHBondContact N-O 3.25Å; D369-V376 PolarHBondContact O-N 3.24Å; D369-Y378 HydrophobicContact CB-CD1 4.13Å; D369-Y378 HydrophobicContact CB-CE1 4.18Å; D369-R396 IonicContact OD2-CZ 3.19Å; D369-R396 IonicContact OD2-NH1 2.72Å; D369-R396 PolarHBondContact OD2-NH1 2.83Å; D369-R396 IonicContact OD2-NH2 3.16Å
370	H	88.1	Confident	92.6	Very high	108 Å²	108	31.4 Å²	31.4	50%	0.5	19%	0.188	S	C	.	.			trans	-107.1	3.6	179.6	-64.8	-89.6	0	0	0	113.2	V368 T372 G373	V368-H370 WeakPolarHBondContact CG1-NE2 3.35Å; H370-T372 PolarHBondContact O-N 3.33Å; H370-G373 PolarHBondContact O-N 2.71Å; H370-G373 VanDerWaalsContact O-N 3.16Å
371	S	79.7	Confident	92.6	Very high	99 Å²	99	31.4 Å²	31.4	69%	0.692	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.8	-170.3	67.2	0	0	0	0	114	D369	D369-S371 WeakPolarHBondContact OD1-CB 3.42Å; D369-S371 PolarHBondContact OD1-N 3.36Å; D369-S371 PolarHBondContact OD1-OG 3.04Å
372	T	73.4	Confident	92.6	Very high	28 Å²	28	31.4 Å²	31.4	17%	0.172	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	2.3	179.3	61.5	0	0	0	0	113.4	Y119 C126 H370 T374	Y119-T372 PolarHBondContact OH-O 3.25Å; C126-T372 HydrophobicContact CB-CG2 4.34Å; H370-T372 PolarHBondContact O-N 3.33Å; T372-T374 PolarHBondContact O-N 2.97Å; T372-T374 PolarHBondContact OG1-O 3Å; T372-T374 VanDerWaalsContact OG1-O 3.07Å
373	G	77.8	Confident	92.6	Very high	51 Å²	51	31.3 Å²	31.3	53%	0.526	19%	0.188	S	C	.	.	S	Bend	trans	77.3	-15	-173.3	0	0	0	0	0	114.6	H370	H370-G373 PolarHBondContact O-N 2.71Å; H370-G373 VanDerWaalsContact O-N 3.16Å
374	T	81.8	Confident	92.6	Very high	92 Å²	92	31.6 Å²	31.6	56%	0.564	19%	0.19	S	C	*	.	S	Bend	trans	-108.7	128.2	168.4	-56.6	0	0	0	0	109	T372 V376	T372-T374 PolarHBondContact O-N 2.97Å; T372-T374 PolarHBondContact OG1-O 3Å; T372-T374 VanDerWaalsContact OG1-O 3.07Å; T374-V376 WeakPolarHBondContact O-CG2 3.24Å; T374-V376 PolarHBondContact O-N 3.1Å
375	P	88.4	Confident	92.5	Very high	81 Å²	81	32 Å²	32	53%	0.526	19%	0.192	S	C	.	.			trans	-64.1	118.8	178.8	25.4	-33	0	0	0	111.1	V368 D369	V368-P375 HydrophobicContact CG1-CB 3.54Å; D369-P375 WeakPolarHBondContact O-CA 3.36Å
376	V	91	Very high	92.5	Very high	23 Å²	23	32.5 Å²	32.5	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.8	177.2	-171.3	0	0	0	0	110	V339 V368 D369 T374 V398	V339-V376 HydrophobicContact CB-CG1 4.07Å; V339-V376 HydrophobicContact CG1-CG1 3.75Å; V339-V376 HydrophobicContact CG2-CB 4.45Å; V339-V376 HydrophobicContact CG2-CG1 4.26Å; V368-V376 WeakPolarHBondContact CA-O 3.16Å; D369-V376 PolarHBondContact N-O 3.25Å; D369-V376 PolarHBondContact O-N 3.24Å; T374-V376 WeakPolarHBondContact O-CG2 3.24Å; T374-V376 PolarHBondContact O-N 3.1Å; V376-V398 HydrophobicContact CG1-CG2 4.42Å
377	K	95.8	Very high	92.4	Very high	84 Å²	84	37.4 Å²	37.4	37%	0.365	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.2	173.2	-62.6	-171.1	-60.2	168.4	0	110.4	E309 G367 V368 R399	E309-K377 VanDerWaalsContact CD-NZ 3.27Å; E309-K377 IonicContact OE1-NZ 3.12Å; E309-K377 PolarHBondContact OE1-NZ 3.03Å; E309-K377 IonicContact OE2-NZ 3.68Å; E309-K377 PolarHBondContact OE2-NZ 2.91Å; G367-K377 WeakPolarHBondContact O-CA 3.41Å; V368-K377 HydrophobicContact CG2-CG 4.25Å; K377-R399 HydrophobicContact CB-CB 4.26Å; K377-R399 PolarHBondContact O-N 3.28Å
378	Y	97.5	Very high	92.3	Very high	21 Å²	21	44.3 Å²	44.3	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.2	176.5	65.6	-98.2	0	0	0	113.4	M174 V339 W366 G367 D369 L380 R396 I397 R399	M174-Y378 WeakPolarHBondContact CE-OH 3.39Å; V339-Y378 HydrophobicContact CG2-CD1 3.87Å; V339-Y378 HydrophobicContact CG2-CG 4.21Å; W366-Y378 VanDerWaalsContact CA-O 3.24Å; W366-Y378 WeakPolarHBondContact CA-O 3.1Å; W366-Y378 VanDerWaalsContact CB-O 3.25Å; W366-Y378 WeakPolarHBondContact CB-O 3.46Å; G367-Y378 VanDerWaalsContact C-CE1 3.48Å; G367-Y378 PolarHBondContact N-O 3.17Å; G367-Y378 VanDerWaalsContact N-O 3.09Å; G367-Y378 PolarHBondContact O-N 3.27Å; D369-Y378 HydrophobicContact CB-CD1 4.13Å; D369-Y378 HydrophobicContact CB-CE1 4.18Å; Y378-L380 HydrophobicContact CE2-CB 4.27Å; Y378-R396 HydrophobicContact CD2-CB 3.75Å; Y378-R396 HydrophobicContact CD2-CG 3.54Å; Y378-R396 HydrophobicContact CE2-CB 4.37Å; Y378-R396 VanDerWaalsContact CE2-CD 3.43Å; Y378-R396 HydrophobicContact CE2-CG 3.67Å; Y378-R396 HydrophobicContact CG-CB 3.89Å; Y378-R396 HydrophobicContact CG-CG 4.1Å; Y378-I397 CarbonylContact C-O 3.53Å; Y378-I397 WeakPolarHBondContact CA-O 3.02Å; Y378-I397 WeakPolarHBondContact CB-O 3.32Å; Y378-R399 VanDerWaalsContact C-CB 3.46Å; Y378-R399 PolarHBondContact O-NE 3.33Å
379	W	98.8	Very high	92.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.1	159.5	-66.7	116.7	0	0	0	109.4	E309 I312 M313 I316 I363 W366 R396 I397 R399 E407	E309-W379 HydrophobicContact CG-CH2 4.18Å; E309-W379 HydrophobicContact CG-CZ2 4Å; I312-W379 HydrophobicContact CB-CH2 3.69Å; I312-W379 HydrophobicContact CB-CZ2 4.07Å; I312-W379 HydrophobicContact CD1-CZ2 4.17Å; I312-W379 HydrophobicContact CG2-CH2 3.45Å; I312-W379 VanDerWaalsContact CG2-CH2 3.45Å; I312-W379 HydrophobicContact CG2-CZ2 3.88Å; I312-W379 HydrophobicContact CG2-CZ3 3.87Å; M313-W379 HydrophobicContact CG-CH2 3.64Å; M313-W379 HydrophobicContact CG-CZ3 3.76Å; I316-W379 HydrophobicContact CD1-CE3 4.47Å; I316-W379 HydrophobicContact CD1-CZ3 4.1Å; I363-W379 HydrophobicContact CD1-CD2 4.37Å; I363-W379 HydrophobicContact CD1-CG 4.44Å; I363-W379 HydrophobicContact CG2-CB 4.13Å; I363-W379 HydrophobicContact CG2-CD2 4.18Å; I363-W379 HydrophobicContact CG2-CE3 3.71Å; I363-W379 HydrophobicContact CG2-CG 4.39Å; W366-W379 HydrophobicContact CB-CE3 3.89Å; W366-W379 HydrophobicContact CB-CZ3 4.1Å; W366-W379 HydrophobicContact CE3-CZ3 4.27Å; W379-R396 VanDerWaalsContact O-CA 3.31Å; W379-R396 WeakPolarHBondContact O-CA 3.5Å; W379-I397 HydrophobicContact CB-CG2 3.96Å; W379-I397 PolarHBondContact N-O 3.36Å; W379-I397 PolarHBondContact O-N 2.9Å; W379-I397 VanDerWaalsContact O-N 3.15Å; W379-R399 HydrophobicContact CD2-CB 4.11Å; W379-R399 HydrophobicContact CD2-CG 3.82Å; W379-R399 VanDerWaalsContact CE2-CD 3.48Å; W379-R399 HydrophobicContact CE3-CG 4.42Å; W379-R399 HydrophobicContact CG-CB 3.93Å; W379-R399 HydrophobicContact CG-CG 4.19Å; W379-R399 HydrophobicContact CH2-CG 4.27Å; W379-R399 HydrophobicContact CZ2-CG 3.64Å; W379-E407 HydrophobicContact CZ2-CG 4.38Å; W379-E407 PolarHBondContact NE1-OE1 3.08Å
380	L	98.8	Very high	92.8	Very high	17 Å²	17	42.9 Å²	42.9	9%	0.089	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.3	170.8	-177.4	64.6	0	0	0	108.8	D176 I364 G365 Y378 L394 R396	D176-L380 WeakPolarHBondContact OD2-CD2 3.2Å; I364-L380 HydrophobicContact CD1-CD2 3.98Å; I364-L380 HydrophobicContact CD1-CG 4.13Å; I364-L380 HydrophobicContact CG1-CB 4.39Å; I364-L380 HydrophobicContact CG1-CD2 3.96Å; I364-L380 HydrophobicContact CG1-CG 3.86Å; I364-L380 WeakPolarHBondContact CG1-O 3.15Å; I364-L380 PolarHBondContact N-O 3.2Å; G365-L380 PolarHBondContact N-O 2.8Å; G365-L380 PolarHBondContact O-N 2.7Å; Y378-L380 HydrophobicContact CE2-CB 4.27Å; L380-L394 HydrophobicContact CD1-CB 4.3Å; L380-L394 HydrophobicContact CD1-CD1 4.17Å; L380-R396 HydrophobicContact CD1-CG 3.94Å
381	C	98.9	Very high	93.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.9	-173.5	-65.2	0	0	0	0	110.8	V361 R362 L394 F395	V361-C381 HydrophobicContact CG2-CB 4.32Å; R362-C381 CarbonylContact O-C 3.5Å; R362-C381 WeakPolarHBondContact O-CA 3.11Å; C381-L394 CarbonylContact O-C 3.43Å; C381-L394 VanDerWaalsContact O-CA 3.26Å; C381-L394 WeakPolarHBondContact O-CA 3.24Å; C381-F395 HydrophobicContact CB-CD1 3.75Å; C381-F395 HydrophobicContact CB-CD2 4.16Å; C381-F395 HydrophobicContact CB-CE1 3.28Å; C381-F395 HydrophobicContact CB-CE2 3.74Å; C381-F395 HydrophobicContact CB-CG 4.18Å; C381-F395 HydrophobicContact CB-CZ 3.3Å; C381-F395 PolarHBondContact N-O 2.78Å; C381-F395 PolarHBondContact O-N 2.83Å
382	A	98.8	Very high	94	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.6	169.7	0	0	0	0	0	110.1	V188 R362 I364 L394	V188-A382 HydrophobicContact CG2-CB 4.18Å; R362-A382 HydrophobicContact CG-CB 3.77Å; R362-A382 PolarHBondContact N-O 3.09Å; R362-A382 PolarHBondContact O-N 2.77Å; I364-A382 HydrophobicContact CG2-CB 4.33Å; A382-L394 VanDerWaalsContact CA-CD2 3.47Å; A382-L394 HydrophobicContact CB-CD2 3.45Å; A382-L394 VanDerWaalsContact CB-CD2 3.45Å
383	N	98.5	Very high	95.2	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	23%	0.225	C	C	.	.			trans	-84.6	-175.7	178.1	-157.9	-6.5	0	0	0	110.8	V188 H359 W385 W389 G393 F395	V188-N383 WeakPolarHBondContact CG1-O 3.49Å; H359-N383 PolarHBondContact NE2-OD1 3.07Å; N383-W385 VanDerWaalsContact ND2-CE3 3.25Å; N383-W389 HydrophobicContact CB-CE3 4.14Å; N383-W389 HydrophobicContact CB-CZ3 3.83Å; N383-W389 WeakPolarHBondContact ND2-CH2 3.02Å; N383-W389 WeakPolarHBondContact ND2-CZ3 3.34Å; N383-G393 VanDerWaalsContact CB-O 3.3Å; N383-G393 WeakPolarHBondContact CB-O 3.04Å; N383-G393 PolarHBondContact N-O 3.02Å; N383-F395 HydrophobicContact CB-CD1 4.17Å; N383-F395 HydrophobicContact CB-CE1 4.25Å
384	S	98.2	Very high	96.2	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.042	20%	0.203	C	C	.	.	S	Bend	trans	-128.5	35.6	174.7	51.6	0	0	0	0	113.1	R189 D190 Q191	R189-S384 CarbonylContact O-C 3.12Å; R189-S384 WeakPolarHBondContact O-CA 3.29Å; D190-S384 CarbonylContact C-O 3.4Å; D190-S384 WeakPolarHBondContact CA-O 3.43Å; Q191-S384 WeakPolarHBondContact CG-O 3.27Å; Q191-S384 PolarHBondContact N-O 3.38Å; Q191-S384 PolarHBondContact OE1-OG 3.1Å
385	W	97.8	Very high	97	Very high	11 Å²	11	33.5 Å²	33.5	4%	0.042	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-114.2	22.4	-179.2	-56.4	-14.4	0	0	0	113.5	F135 R147 L148 R189 F332 F333 H359 N383 W389	F135-W385 HydrophobicContact CZ-CE3 4.25Å; R147-W385 HydrophobicContact CB-CD2 4.44Å; R147-W385 HydrophobicContact CB-CZ2 3.82Å; R147-W385 PolarHBondContact O-NE1 2.85Å; L148-W385 HydrophobicContact CD2-CH2 4.35Å; L148-W385 HydrophobicContact CD2-CZ2 3.88Å; R189-W385 PolarHBondContact O-N 2.93Å; F332-W385 AromaticContact CD1-CH2 3.63Å; F332-W385 HydrophobicContact CD1-CH2 3.63Å; F332-W385 AromaticContact CD1-CZ3 3.95Å; F332-W385 HydrophobicContact CD1-CZ3 3.95Å; F332-W385 AromaticContact CE1-CH2 3.68Å; F332-W385 HydrophobicContact CE1-CH2 3.68Å; F332-W385 HydrophobicContact CE1-CZ2 4.44Å; F332-W385 AromaticContact CE1-CZ3 3.89Å; F332-W385 HydrophobicContact CE1-CZ3 3.89Å; F333-W385 HydrophobicContact CD1-CH2 4.08Å; F333-W385 HydrophobicContact CD1-CZ3 4.31Å; F333-W385 HydrophobicContact CE1-CH2 4.17Å; H359-W385 AromaticContact CE1-NE1 3.63Å; H359-W385 AromaticContact NE2-NE1 3.76Å; N383-W385 VanDerWaalsContact ND2-CE3 3.25Å; W385-W389 HydrophobicContact CB-CB 4.33Å; W385-W389 HydrophobicContact CB-CG 4.37Å; W385-W389 AromaticContact CE3-CD1 3.88Å; W385-W389 AromaticContact CE3-CD2 3.75Å; W385-W389 HydrophobicContact CE3-CD2 3.75Å; W385-W389 AromaticContact CE3-CE2 3.43Å; W385-W389 VanDerWaalsContact CE3-CE2 3.43Å; W385-W389 HydrophobicContact CE3-CE3 4.42Å; W385-W389 HydrophobicContact CE3-CG 4.02Å; W385-W389 AromaticContact CE3-CZ2 3.84Å; W385-W389 HydrophobicContact CE3-CZ2 3.84Å; W385-W389 AromaticContact CE3-NE1 3.51Å; W385-W389 HydrophobicContact CZ3-CD2 4.37Å; W385-W389 AromaticContact CZ3-CE2 3.6Å; W385-W389 HydrophobicContact CZ3-CH2 4.46Å; W385-W389 AromaticContact CZ3-CZ2 3.62Å; W385-W389 HydrophobicContact CZ3-CZ2 3.62Å; W385-W389 AromaticContact CZ3-NE1 3.67Å
386	G	97.3	Very high	97.4	Very high	11 Å²	11	31.5 Å²	31.5	11%	0.113	16%	0.158	C	C	.	.			trans	82	167.3	-177.5	0	0	0	0	0	113.6	R189 G393	R189-G386 PolarHBondContact O-N 3.32Å; G386-G393 WeakPolarHBondContact O-CA 3.46Å
387	E	96.9	Very high	97.7	Very high	105 Å²	105	30.4 Å²	30.4	49%	0.491	15%	0.152	S	C	.	.	S	Bend	trans	-78.5	-22.4	-175.1	-67	-178.2	165.3	0	0	112.8	V188 W389 N392 G393	V188-E387 HydrophobicContact CB-CG 4.06Å; E387-W389 PolarHBondContact O-N 3.48Å; E387-N392 CarbonylContact O-C 3.51Å; E387-N392 VanDerWaalsContact O-C 3.32Å; E387-N392 WeakPolarHBondContact O-CA 3.48Å; E387-G393 PolarHBondContact O-N 2.9Å; E387-G393 VanDerWaalsContact O-N 3.15Å
388	D	95.7	Very high	97.7	Very high	145 Å²	145	26.6 Å²	26.6	78%	0.775	14%	0.135	S	C	*	.	S	Bend	trans	-66.2	-26.5	178.2	-64	-33.1	0	0	0	112.8	Y132	Y132-D388 WeakPolarHBondContact CE1-O 3.5Å
389	W	97.3	Very high	97.7	Very high	6 Å²	6	26.1 Å²	26.1	2%	0.023	13%	0.134	C	C	.	.	S	Bend	trans	-82.7	139.2	178.8	-177.3	90.5	0	0	0	111.6	Y132 F135 F332 F333 Y335 N383 W385 E387 G393 F395	Y132-W389 AromaticContact CD2-CD1 3.79Å; Y132-W389 HydrophobicContact CE1-CB 4.4Å; Y132-W389 AromaticContact CE2-CD1 3.41Å; Y132-W389 VanDerWaalsContact CE2-CD1 3.41Å; Y132-W389 HydrophobicContact CE2-CG 4.35Å; Y132-W389 AromaticContact CE2-NE1 3.7Å; Y132-W389 AromaticContact CZ-CD1 3.63Å; F135-W389 AromaticContact CE2-CD1 3.95Å; F332-W389 HydrophobicContact CD1-CZ2 4.23Å; F332-W389 AromaticContact CE1-CH2 3.74Å; F332-W389 HydrophobicContact CE1-CH2 3.74Å; F332-W389 AromaticContact CE1-CZ2 3.79Å; F332-W389 HydrophobicContact CE1-CZ2 3.79Å; F332-W389 HydrophobicContact CE2-CH2 4.02Å; F332-W389 HydrophobicContact CE2-CZ2 4.38Å; F332-W389 AromaticContact CZ-CH2 3.43Å; F332-W389 HydrophobicContact CZ-CH2 3.43Å; F332-W389 VanDerWaalsContact CZ-CH2 3.43Å; F332-W389 AromaticContact CZ-CZ2 3.89Å; F332-W389 HydrophobicContact CZ-CZ2 3.89Å; F332-W389 WeakPolarHBondContact O-CZ2 2.98Å; F333-W389 PolarHBondContact O-NE1 2.88Å; F333-W389 VanDerWaalsContact O-NE1 3.15Å; Y335-W389 AromaticContact CD1-CH2 3.6Å; Y335-W389 HydrophobicContact CD1-CH2 3.6Å; Y335-W389 AromaticContact CD1-CZ2 3.87Å; Y335-W389 HydrophobicContact CD1-CZ2 3.87Å; Y335-W389 HydrophobicContact CD1-CZ3 4.13Å; Y335-W389 HydrophobicContact CE1-CH2 4.38Å; Y335-W389 HydrophobicContact CG-CH2 4.27Å; Y335-W389 HydrophobicContact CG-CZ2 4.27Å; N383-W389 HydrophobicContact CB-CE3 4.14Å; N383-W389 HydrophobicContact CB-CZ3 3.83Å; N383-W389 WeakPolarHBondContact ND2-CH2 3.02Å; N383-W389 WeakPolarHBondContact ND2-CZ3 3.34Å; W385-W389 HydrophobicContact CB-CB 4.33Å; W385-W389 HydrophobicContact CB-CG 4.37Å; W385-W389 AromaticContact CE3-CD1 3.88Å; W385-W389 AromaticContact CE3-CD2 3.75Å; W385-W389 HydrophobicContact CE3-CD2 3.75Å; W385-W389 AromaticContact CE3-CE2 3.43Å; W385-W389 VanDerWaalsContact CE3-CE2 3.43Å; W385-W389 HydrophobicContact CE3-CE3 4.42Å; W385-W389 HydrophobicContact CE3-CG 4.02Å; W385-W389 AromaticContact CE3-CZ2 3.84Å; W385-W389 HydrophobicContact CE3-CZ2 3.84Å; W385-W389 AromaticContact CE3-NE1 3.51Å; W385-W389 HydrophobicContact CZ3-CD2 4.37Å; W385-W389 AromaticContact CZ3-CE2 3.6Å; W385-W389 HydrophobicContact CZ3-CH2 4.46Å; W385-W389 AromaticContact CZ3-CZ2 3.62Å; W385-W389 HydrophobicContact CZ3-CZ2 3.62Å; W385-W389 AromaticContact CZ3-NE1 3.67Å; E387-W389 PolarHBondContact O-N 3.48Å; W389-G393 WeakPolarHBondContact O-CA 3.25Å; W389-G393 PolarHBondContact O-N 2.83Å; W389-F395 HydrophobicContact CH2-CB 3.94Å; W389-F395 HydrophobicContact CH2-CD1 4.16Å; W389-F395 HydrophobicContact CH2-CG 4.23Å; W389-F395 HydrophobicContact CZ3-CB 4Å; W389-F395 HydrophobicContact CZ3-CD1 4.06Å; W389-F395 HydrophobicContact CZ3-CG 4.39Å
390	G	97.6	Very high	97.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-142.6	176.6	0	0	0	0	0	113.3	Y132 K336 N392	Y132-G390 PolarHBondContact OH-N 3.04Å; K336-G390 PolarHBondContact NZ-O 2.95Å; K336-G390 CarbonylContact O-C 3.51Å; K336-G390 VanDerWaalsContact O-CA 3.29Å; K336-G390 WeakPolarHBondContact O-CA 3.22Å; G390-N392 PolarHBondContact O-N 3.18Å
391	E	96.5	Very high	97.4	Very high	45 Å²	45	32.7 Å²	32.7	21%	0.21	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-92.3	73.4	179.4	-61.2	177.9	146.6	0	0	109.2	Y335 K336 S337 G338 L394 R396	Y335-E391 HydrophobicContact CE1-CG 4.39Å; Y335-E391 VanDerWaalsContact OH-CD 3.28Å; Y335-E391 PolarHBondContact OH-OE2 3.17Å; K336-E391 PolarHBondContact O-N 3.23Å; S337-E391 WeakPolarHBondContact CA-OE1 3.5Å; G338-E391 PolarHBondContact N-OE1 3.41Å; E391-L394 HydrophobicContact CB-CB 4.46Å; E391-L394 PolarHBondContact N-O 2.9Å; E391-L394 VanDerWaalsContact O-CB 3.27Å; E391-L394 WeakPolarHBondContact O-CB 3.14Å; E391-L394 PolarHBondContact O-N 2.65Å; E391-L394 VanDerWaalsContact O-N 3.13Å; E391-R396 IonicContact OE1-CZ 3.5Å; E391-R396 IonicContact OE1-NE 3.28Å; E391-R396 PolarHBondContact OE1-NE 3.08Å; E391-R396 VanDerWaalsContact OE1-NE 3.1Å; E391-R396 IonicContact OE1-NH2 3.16Å; E391-R396 PolarHBondContact OE1-NH2 2.95Å; E391-R396 WeakPolarHBondContact OE2-CG 3.1Å; E391-R396 IonicContact OE2-CZ 2.56Å; E391-R396 IonicContact OE2-NE 3.62Å; E391-R396 PolarHBondContact OE2-NE 3.15Å
392	N	97.4	Very high	97.3	Very high	125 Å²	125	35 Å²	35	67%	0.668	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	45.2	-174.1	-57.3	-28.3	0	0	0	112.5	E387 G390 L394	E387-N392 CarbonylContact O-C 3.51Å; E387-N392 VanDerWaalsContact O-C 3.32Å; E387-N392 WeakPolarHBondContact O-CA 3.48Å; G390-N392 PolarHBondContact O-N 3.18Å; N392-L394 PolarHBondContact O-N 3.03Å
393	G	98.2	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-0.6	-176.1	0	0	0	0	0	114.7	N383 G386 E387 W389	N383-G393 VanDerWaalsContact CB-O 3.3Å; N383-G393 WeakPolarHBondContact CB-O 3.04Å; N383-G393 PolarHBondContact N-O 3.02Å; G386-G393 WeakPolarHBondContact O-CA 3.46Å; E387-G393 PolarHBondContact O-N 2.9Å; E387-G393 VanDerWaalsContact O-N 3.15Å; W389-G393 WeakPolarHBondContact O-CA 3.25Å; W389-G393 PolarHBondContact O-N 2.83Å
394	L	98.7	Very high	97	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.063	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	162.7	173.6	-51.4	-179.7	0	0	0	111.2	V188 I364 L380 C381 A382 E391 N392	V188-L394 HydrophobicContact CG2-CD2 3.75Å; V188-L394 HydrophobicContact CG2-CG 4.49Å; I364-L394 HydrophobicContact CD1-CD1 4.26Å; I364-L394 HydrophobicContact CD1-CD2 4.05Å; L380-L394 HydrophobicContact CD1-CB 4.3Å; L380-L394 HydrophobicContact CD1-CD1 4.17Å; C381-L394 CarbonylContact O-C 3.43Å; C381-L394 VanDerWaalsContact O-CA 3.26Å; C381-L394 WeakPolarHBondContact O-CA 3.24Å; A382-L394 VanDerWaalsContact CA-CD2 3.47Å; A382-L394 HydrophobicContact CB-CD2 3.45Å; A382-L394 VanDerWaalsContact CB-CD2 3.45Å; E391-L394 HydrophobicContact CB-CB 4.46Å; E391-L394 PolarHBondContact N-O 2.9Å; E391-L394 VanDerWaalsContact O-CB 3.27Å; E391-L394 WeakPolarHBondContact O-CB 3.14Å; E391-L394 PolarHBondContact O-N 2.65Å; E391-L394 VanDerWaalsContact O-N 3.13Å; N392-L394 PolarHBondContact O-N 3.03Å
395	F	98.6	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.7	167.2	67.8	-80.6	0	0	0	110.9	F326 F332 Y335 V361 C381 N383 W389 I397	F326-F395 HydrophobicContact CE1-CZ 4.05Å; F326-F395 HydrophobicContact CE2-CE2 4.41Å; F326-F395 HydrophobicContact CE2-CZ 4.35Å; F326-F395 HydrophobicContact CZ-CE2 4.24Å; F326-F395 AromaticContact CZ-CZ 3.76Å; F326-F395 HydrophobicContact CZ-CZ 3.76Å; F332-F395 AromaticContact CE2-CD2 3.67Å; F332-F395 HydrophobicContact CE2-CD2 3.67Å; F332-F395 AromaticContact CE2-CE2 3.87Å; F332-F395 HydrophobicContact CE2-CE2 3.87Å; F332-F395 HydrophobicContact CE2-CG 4.01Å; F332-F395 HydrophobicContact CE2-CZ 4.37Å; F332-F395 AromaticContact CZ-CD1 3.96Å; F332-F395 HydrophobicContact CZ-CD1 3.96Å; F332-F395 AromaticContact CZ-CD2 3.85Å; F332-F395 HydrophobicContact CZ-CD2 3.85Å; F332-F395 AromaticContact CZ-CE1 3.96Å; F332-F395 HydrophobicContact CZ-CE1 3.96Å; F332-F395 AromaticContact CZ-CE2 3.85Å; F332-F395 HydrophobicContact CZ-CE2 3.85Å; F332-F395 AromaticContact CZ-CG 3.89Å; F332-F395 HydrophobicContact CZ-CG 3.89Å; F332-F395 AromaticContact CZ-CZ 3.89Å; F332-F395 HydrophobicContact CZ-CZ 3.89Å; Y335-F395 HydrophobicContact CD1-CB 3.83Å; Y335-F395 HydrophobicContact CE1-CB 3.32Å; Y335-F395 HydrophobicContact CE2-CB 4.42Å; Y335-F395 WeakPolarHBondContact OH-CA 3.49Å; V361-F395 HydrophobicContact CB-CE1 4.38Å; V361-F395 HydrophobicContact CG1-CE1 4.01Å; V361-F395 HydrophobicContact CG1-CZ 4.27Å; V361-F395 HydrophobicContact CG2-CE1 4.34Å; V361-F395 HydrophobicContact CG2-CZ 4.01Å; C381-F395 HydrophobicContact CB-CD1 3.75Å; C381-F395 HydrophobicContact CB-CD2 4.16Å; C381-F395 HydrophobicContact CB-CE1 3.28Å; C381-F395 HydrophobicContact CB-CE2 3.74Å; C381-F395 HydrophobicContact CB-CG 4.18Å; C381-F395 HydrophobicContact CB-CZ 3.3Å; C381-F395 PolarHBondContact N-O 2.78Å; C381-F395 PolarHBondContact O-N 2.83Å; N383-F395 HydrophobicContact CB-CD1 4.17Å; N383-F395 HydrophobicContact CB-CE1 4.25Å; W389-F395 HydrophobicContact CH2-CB 3.94Å; W389-F395 HydrophobicContact CH2-CD1 4.16Å; W389-F395 HydrophobicContact CH2-CG 4.23Å; W389-F395 HydrophobicContact CZ3-CB 4Å; W389-F395 HydrophobicContact CZ3-CD1 4.06Å; W389-F395 HydrophobicContact CZ3-CG 4.39Å; F395-I397 HydrophobicContact CD2-CB 4.09Å; F395-I397 HydrophobicContact CD2-CG2 4.28Å; F395-I397 HydrophobicContact CE2-CB 3.95Å; F395-I397 HydrophobicContact CE2-CG2 3.83Å
396	R	97.9	Very high	96.9	Very high	38 Å²	38	38.2 Å²	38.2	14%	0.143	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.6	172.3	-64.4	177.9	-70.5	150.1	-1.6	108.1	Y335 G338 V339 Y340 D369 Y378 W379 L380 E391	Y335-R396 PolarHBondContact OH-N 3.42Å; Y335-R396 VanDerWaalsContact OH-N 3.12Å; G338-R396 VanDerWaalsContact CA-NH2 3.27Å; V339-R396 HydrophobicContact CG2-CB 4.42Å; Y340-R396 VanDerWaalsContact CB-O 3.27Å; Y340-R396 WeakPolarHBondContact CB-O 3.43Å; Y340-R396 PolarHBondContact N-O 2.82Å; D369-R396 IonicContact OD2-CZ 3.19Å; D369-R396 IonicContact OD2-NH1 2.72Å; D369-R396 PolarHBondContact OD2-NH1 2.83Å; D369-R396 IonicContact OD2-NH2 3.16Å; Y378-R396 HydrophobicContact CD2-CB 3.75Å; Y378-R396 HydrophobicContact CD2-CG 3.54Å; Y378-R396 HydrophobicContact CE2-CB 4.37Å; Y378-R396 VanDerWaalsContact CE2-CD 3.43Å; Y378-R396 HydrophobicContact CE2-CG 3.67Å; Y378-R396 HydrophobicContact CG-CB 3.89Å; Y378-R396 HydrophobicContact CG-CG 4.1Å; W379-R396 VanDerWaalsContact O-CA 3.31Å; W379-R396 WeakPolarHBondContact O-CA 3.5Å; L380-R396 HydrophobicContact CD1-CG 3.94Å; E391-R396 IonicContact OE1-CZ 3.5Å; E391-R396 IonicContact OE1-NE 3.28Å; E391-R396 PolarHBondContact OE1-NE 3.08Å; E391-R396 VanDerWaalsContact OE1-NE 3.1Å; E391-R396 IonicContact OE1-NH2 3.16Å; E391-R396 PolarHBondContact OE1-NH2 2.95Å; E391-R396 WeakPolarHBondContact OE2-CG 3.1Å; E391-R396 IonicContact OE2-CZ 2.56Å; E391-R396 IonicContact OE2-NE 3.62Å; E391-R396 PolarHBondContact OE2-NE 3.15Å
397	I	97.5	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.8	180	-177.4	167.7	0	0	0	109.6	F326 Y340 Y378 W379 F395 R399 C404 I406	F326-I397 HydrophobicContact CD2-CD1 4.25Å; Y340-I397 HydrophobicContact CD1-CD1 3.88Å; Y340-I397 HydrophobicContact CD1-CG1 4Å; Y340-I397 HydrophobicContact CE1-CD1 4.39Å; Y378-I397 CarbonylContact C-O 3.53Å; Y378-I397 WeakPolarHBondContact CA-O 3.02Å; Y378-I397 WeakPolarHBondContact CB-O 3.32Å; W379-I397 HydrophobicContact CB-CG2 3.96Å; W379-I397 PolarHBondContact N-O 3.36Å; W379-I397 PolarHBondContact O-N 2.9Å; W379-I397 VanDerWaalsContact O-N 3.15Å; F395-I397 HydrophobicContact CD2-CB 4.09Å; F395-I397 HydrophobicContact CD2-CG2 4.28Å; F395-I397 HydrophobicContact CE2-CB 3.95Å; F395-I397 HydrophobicContact CE2-CG2 3.83Å; I397-R399 PolarHBondContact O-N 3.23Å; I397-C404 HydrophobicContact CD1-CB 4.36Å; I397-I406 HydrophobicContact CD1-CB 4.24Å; I397-I406 HydrophobicContact CD1-CD1 4.47Å; I397-I406 HydrophobicContact CD1-CG1 4.3Å; I397-I406 HydrophobicContact CD1-CG2 4.5Å; I397-I406 HydrophobicContact CG2-CD1 4.34Å; I397-I406 HydrophobicContact CG2-CG1 3.95Å
398	V	96.1	Very high	96.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49	131.8	-179.9	176.8	0	0	0	0	111.1	V339 Y340 R341 V376 E401 H403	V339-V398 HydrophobicContact CG1-CG2 3.81Å; Y340-V398 PolarHBondContact O-N 2.77Å; R341-V398 HydrophobicContact CB-CG2 4.12Å; V376-V398 HydrophobicContact CG1-CG2 4.42Å; V398-E401 HydrophobicContact CG1-CB 4.37Å; V398-E401 HydrophobicContact CG1-CG 4.26Å; V398-H403 HydrophobicContact CB-CB 4.27Å
399	R	97.1	Very high	96.7	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.045	15%	0.148	C	C	.	.			trans	-114.4	141.8	-177.6	165.9	176.8	66.7	107.8	-3.8	111.7	E309 M313 G367 K377 Y378 W379 I397	E309-R399 HydrophobicContact CG-CG 3.87Å; E309-R399 WeakPolarHBondContact OE1-CD 3.3Å; E309-R399 VanDerWaalsContact OE1-CG 3.28Å; E309-R399 WeakPolarHBondContact OE1-CG 3.39Å; E309-R399 IonicContact OE1-CZ 2.64Å; E309-R399 IonicContact OE1-NE 3.69Å; E309-R399 IonicContact OE1-NH1 3Å; E309-R399 PolarHBondContact OE1-NH1 3.29Å; M313-R399 PolarHBondContact SD-NH1 2.93Å; G367-R399 PolarHBondContact O-NH2 3.45Å; G367-R399 VanDerWaalsContact O-NH2 3.12Å; K377-R399 HydrophobicContact CB-CB 4.26Å; K377-R399 PolarHBondContact O-N 3.28Å; Y378-R399 VanDerWaalsContact C-CB 3.46Å; Y378-R399 PolarHBondContact O-NE 3.33Å; W379-R399 HydrophobicContact CD2-CB 4.11Å; W379-R399 HydrophobicContact CD2-CG 3.82Å; W379-R399 VanDerWaalsContact CE2-CD 3.48Å; W379-R399 HydrophobicContact CE3-CG 4.42Å; W379-R399 HydrophobicContact CG-CB 3.93Å; W379-R399 HydrophobicContact CG-CG 4.19Å; W379-R399 HydrophobicContact CH2-CG 4.27Å; W379-R399 HydrophobicContact CZ2-CG 3.64Å; I397-R399 PolarHBondContact O-N 3.23Å
400	G	95.9	Very high	96.7	Very high	37 Å²	37	27.3 Å²	27.3	38%	0.381	15%	0.147	S	C	.	.	S	Bend	trans	94.1	-1.6	175.7	0	0	0	0	0	114.5	E407	G400-E407 PolarHBondContact N-OE1 2.04Å
401	E	95.1	Very high	96.7	Very high	118 Å²	118	27.4 Å²	27.4	55%	0.551	15%	0.147	S	C	*	.	S	Bend	trans	-114.4	1.1	179.1	-66.2	176.1	-152.6	0	0	112.3	R341 V398 H403	R341-E401 IonicContact CZ-OE2 2.95Å; R341-E401 IonicContact NH1-OE2 2.58Å; R341-E401 PolarHBondContact NH1-OE2 3.05Å; R341-E401 IonicContact NH2-OE1 2.67Å; R341-E401 PolarHBondContact NH2-OE1 3.34Å; R341-E401 VanDerWaalsContact NH2-OE1 3.12Å; R341-E401 IonicContact NH2-OE2 3.1Å; R341-E401 PolarHBondContact NH2-OE2 3.48Å; V398-E401 HydrophobicContact CG1-CB 4.37Å; V398-E401 HydrophobicContact CG1-CG 4.26Å; E401-H403 PolarHBondContact O-N 3.13Å
402	N	96.5	Very high	96.7	Very high	49 Å²	49	25.3 Å²	25.3	26%	0.262	14%	0.137	S	C	.	.			trans	49.3	36.4	-169.5	-168.4	28.3	0	0	0	113.3	C404 D405 I406 E407 T408	N402-C404 PolarHBondContact O-N 2.98Å; N402-D405 PolarHBondContact O-N 2.91Å; N402-D405 VanDerWaalsContact O-N 3.07Å; N402-D405 WeakPolarHBondContact OD1-CA 3.07Å; N402-I406 PolarHBondContact OD1-N 2.87Å; N402-E407 WeakPolarHBondContact CA-OE2 3.46Å; N402-E407 HydrophobicContact CB-CB 4.13Å; N402-E407 PolarHBondContact N-OE2 3.49Å; N402-E407 WeakPolarHBondContact OD1-CA 3.35Å; N402-E407 WeakPolarHBondContact OD1-CB 3.36Å; N402-E407 PolarHBondContact OD1-N 3.1Å; N402-T408 PolarHBondContact ND2-OG1 3.5Å; N402-T408 PolarHBondContact OD1-N 2.98Å; N402-T408 PolarHBondContact OD1-OG1 3.13Å
403	H	95.6	Very high	96.6	Very high	35 Å²	35	19.3 Å²	19.3	16%	0.162	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59.7	134.5	-177.5	-170.6	76	0	0	0	110.2	H342 V398 E401 D405 I406	H342-H403 PolarHBondContact N-NE2 2.88Å; H342-H403 VanDerWaalsContact N-NE2 3.11Å; V398-H403 HydrophobicContact CB-CB 4.27Å; E401-H403 PolarHBondContact O-N 3.13Å; H403-D405 PolarHBondContact O-N 3.16Å; H403-I406 WeakPolarHBondContact O-CB 3.27Å; H403-I406 WeakPolarHBondContact O-CG2 3.23Å; H403-I406 PolarHBondContact O-N 3.23Å; H403-I406 VanDerWaalsContact O-N 3.16Å
404	C	96	Very high	96.3	Very high	15 Å²	15	20.2 Å²	20.2	10%	0.101	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	54.4	30.4	-175	-67.6	0	0	0	0	114.2	F326 L327 I397 N402 I406	F326-C404 CarbonylContact C-O 3.15Å; F326-C404 VanDerWaalsContact CA-O 3.29Å; F326-C404 WeakPolarHBondContact CA-O 3.39Å; F326-C404 VanDerWaalsContact CB-O 3.26Å; F326-C404 WeakPolarHBondContact CB-O 3.47Å; F326-C404 HydrophobicContact CD2-CB 4.29Å; L327-C404 PolarHBondContact N-O 2.62Å; L327-C404 VanDerWaalsContact O-CB 3.31Å; L327-C404 WeakPolarHBondContact O-CB 3.47Å; I397-C404 HydrophobicContact CD1-CB 4.36Å; N402-C404 PolarHBondContact O-N 2.98Å; C404-I406 PolarHBondContact O-N 3.08Å
405	D	96.2	Very high	96.1	Very high	45 Å²	45	19.7 Å²	19.7	24%	0.241	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	61.9	15.5	-176.9	-61.2	-26.8	0	0	0	115.2	T325 Y358 N402 H403 E407 T408	T325-D405 VanDerWaalsContact O-O 3.09Å; Y358-D405 HydrophobicContact CE1-CB 4.4Å; Y358-D405 PolarHBondContact OH-OD2 2.57Å; N402-D405 PolarHBondContact O-N 2.91Å; N402-D405 VanDerWaalsContact O-N 3.07Å; N402-D405 WeakPolarHBondContact OD1-CA 3.07Å; H403-D405 PolarHBondContact O-N 3.16Å; D405-E407 PolarHBondContact O-N 3.24Å; D405-E407 VanDerWaalsContact O-N 3.07Å; D405-T408 WeakPolarHBondContact O-CB 3.28Å; D405-T408 PolarHBondContact O-N 2.9Å
406	I	98	Very high	95.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.2	-172.9	-166.6	67.8	0	0	0	114.3	T324 F326 V361 I397 N402 H403 C404	T324-I406 HydrophobicContact CG2-CD1 3.5Å; T324-I406 HydrophobicContact CG2-CG1 4.27Å; T324-I406 PolarHBondContact OG1-O 2.79Å; F326-I406 HydrophobicContact CB-CB 4.08Å; F326-I406 HydrophobicContact CB-CD1 3.51Å; F326-I406 HydrophobicContact CB-CG1 4.38Å; F326-I406 HydrophobicContact CD1-CD1 3.95Å; F326-I406 HydrophobicContact CD2-CD1 4.31Å; F326-I406 HydrophobicContact CG-CD1 3.69Å; V361-I406 HydrophobicContact CG2-CD1 4.43Å; I397-I406 HydrophobicContact CD1-CB 4.24Å; I397-I406 HydrophobicContact CD1-CD1 4.47Å; I397-I406 HydrophobicContact CD1-CG1 4.3Å; I397-I406 HydrophobicContact CD1-CG2 4.5Å; I397-I406 HydrophobicContact CG2-CD1 4.34Å; I397-I406 HydrophobicContact CG2-CG1 3.95Å; N402-I406 PolarHBondContact OD1-N 2.87Å; H403-I406 WeakPolarHBondContact O-CB 3.27Å; H403-I406 WeakPolarHBondContact O-CG2 3.23Å; H403-I406 PolarHBondContact O-N 3.23Å; H403-I406 VanDerWaalsContact O-N 3.16Å; C404-I406 PolarHBondContact O-N 3.08Å
407	E	97.3	Very high	94.3	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.033	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-10.2	179	-67.8	157.6	-176.3	0	0	112.4	T307 I312 W379 G400 N402 D405 F409	T307-E407 WeakPolarHBondContact CG2-O 3.29Å; I312-E407 HydrophobicContact CD1-CB 4.07Å; I312-E407 HydrophobicContact CD1-CG 3.95Å; W379-E407 HydrophobicContact CZ2-CG 4.38Å; W379-E407 PolarHBondContact NE1-OE1 3.08Å; G400-E407 PolarHBondContact N-OE1 2.04Å; N402-E407 WeakPolarHBondContact CA-OE2 3.46Å; N402-E407 HydrophobicContact CB-CB 4.13Å; N402-E407 PolarHBondContact N-OE2 3.49Å; N402-E407 WeakPolarHBondContact OD1-CA 3.35Å; N402-E407 WeakPolarHBondContact OD1-CB 3.36Å; N402-E407 PolarHBondContact OD1-N 3.1Å; D405-E407 PolarHBondContact O-N 3.24Å; D405-E407 VanDerWaalsContact O-N 3.07Å; E407-F409 PolarHBondContact O-N 3.33Å
408	T	93.8	Very high	92.9	Very high	28 Å²	28	27.4 Å²	27.4	17%	0.172	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-44.4	-174	-66	0	0	0	0	112.6	R304 N402 D405	R304-T408 PolarHBondContact NE-O 3.06Å; R304-T408 PolarHBondContact NH2-O 3.21Å; N402-T408 PolarHBondContact ND2-OG1 3.5Å; N402-T408 PolarHBondContact OD1-N 2.98Å; N402-T408 PolarHBondContact OD1-OG1 3.13Å; D405-T408 WeakPolarHBondContact O-CB 3.28Å; D405-T408 PolarHBondContact O-N 2.9Å
409	F	94.5	Very high	91.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	81	-171.6	-166.9	-104.6	0	0	0	111.6	P153 V157 L243 T325 E407 I411	P153-F409 HydrophobicContact CB-CE1 4.26Å; P153-F409 HydrophobicContact CB-CE2 4.4Å; P153-F409 HydrophobicContact CB-CZ 4.13Å; P153-F409 HydrophobicContact CG-CD1 3.61Å; P153-F409 HydrophobicContact CG-CD2 4.32Å; P153-F409 HydrophobicContact CG-CE1 3.45Å; P153-F409 VanDerWaalsContact CG-CE1 3.45Å; P153-F409 HydrophobicContact CG-CE2 4.22Å; P153-F409 HydrophobicContact CG-CG 4.05Å; P153-F409 HydrophobicContact CG-CZ 3.8Å; V157-F409 HydrophobicContact CG1-CE2 3.96Å; V157-F409 HydrophobicContact CG1-CZ 3.57Å; L243-F409 HydrophobicContact CD1-CD1 4.46Å; L243-F409 HydrophobicContact CD1-CE1 4.23Å; T325-F409 HydrophobicContact CG2-CD1 4.02Å; T325-F409 PolarHBondContact N-O 3.5Å; E407-F409 PolarHBondContact O-N 3.33Å; F409-I411 HydrophobicContact CD1-CD1 4.04Å; F409-I411 HydrophobicContact CD1-CG1 4.38Å; F409-I411 HydrophobicContact CE1-CD1 3.25Å; F409-I411 HydrophobicContact CE1-CG1 3.9Å; F409-I411 HydrophobicContact CZ-CD1 3.68Å; F409-I411 HydrophobicContact CZ-CG1 4.12Å
410	V	97.1	Very high	89.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.2	179.3	-169.5	0	0	0	0	110	R304 I305 I312 V322 Q323	R304-V410 WeakPolarHBondContact CA-O 3.48Å; I305-V410 HydrophobicContact CB-CB 4.24Å; I305-V410 HydrophobicContact CB-CG1 4.34Å; I305-V410 HydrophobicContact CD1-CB 4.44Å; I305-V410 HydrophobicContact CD1-CG1 3.75Å; I305-V410 PolarHBondContact N-O 3.29Å; I312-V410 HydrophobicContact CD1-CG2 3.89Å; I312-V410 HydrophobicContact CG1-CG1 4.49Å; I312-V410 HydrophobicContact CG1-CG2 4.3Å; I312-V410 HydrophobicContact CG2-CG1 4.41Å; V322-V410 HydrophobicContact CB-CG1 3.74Å; V322-V410 HydrophobicContact CG1-CG1 4.45Å; V322-V410 HydrophobicContact CG2-CG1 3.45Å; V322-V410 VanDerWaalsContact CG2-CG1 3.45Å; Q323-V410 CarbonylContact O-C 3.58Å; Q323-V410 VanDerWaalsContact O-CA 3.3Å; Q323-V410 WeakPolarHBondContact O-CA 3.24Å; Q323-V410 WeakPolarHBondContact O-CG1 3.44Å
411	I	96.5	Very high	87.3	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.5	-176.4	-63.6	164.8	0	0	0	111.1	L243 W247 P302 Y303 Q323 F409	L243-I411 HydrophobicContact CB-CD1 4.16Å; L243-I411 HydrophobicContact CD1-CD1 4.07Å; W247-I411 HydrophobicContact CZ2-CG2 4.12Å; P302-I411 HydrophobicContact CB-CG2 3.66Å; Y303-I411 WeakPolarHBondContact O-CA 3.33Å; Q323-I411 HydrophobicContact CB-CB 4.35Å; Q323-I411 PolarHBondContact N-O 3.03Å; Q323-I411 PolarHBondContact O-N 3.31Å; F409-I411 HydrophobicContact CD1-CD1 4.04Å; F409-I411 HydrophobicContact CD1-CG1 4.38Å; F409-I411 HydrophobicContact CE1-CD1 3.25Å; F409-I411 HydrophobicContact CE1-CG1 3.9Å; F409-I411 HydrophobicContact CZ-CD1 3.68Å; F409-I411 HydrophobicContact CZ-CG1 4.12Å
412	G	96.2	Very high	85.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	156.2	164.3	0	0	0	0	0	111.9	P302 Y303	P302-G412 CarbonylContact C-O 2.99Å; P302-G412 WeakPolarHBondContact CA-O 3.4Å; Y303-G412 VanDerWaalsContact CD1-O 3.27Å; Y303-G412 WeakPolarHBondContact CD1-O 3.35Å; Y303-G412 VanDerWaalsContact CE1-C 3.48Å; Y303-G412 WeakPolarHBondContact CE1-O 3.26Å; Y303-G412 PolarHBondContact N-O 3.49Å; Y303-G412 PolarHBondContact O-N 3.46Å
413	A	95.1	Very high	84	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.			trans	-147	159.2	169.7	0	0	0	0	0	110.7	R209 W247 M299	R209-A413 WeakPolarHBondContact CD-O 3.44Å; R209-A413 PolarHBondContact NH1-O 3.34Å; R209-A413 VanDerWaalsContact NH1-O 3.11Å; W247-A413 HydrophobicContact CE3-CB 3.91Å; W247-A413 HydrophobicContact CH2-CB 3.57Å; W247-A413 HydrophobicContact CZ2-CB 4.37Å; W247-A413 HydrophobicContact CZ3-CB 3.29Å; M299-A413 HydrophobicContact CE-CB 3.77Å
414	W	93.6	Very high	82.3	Confident	18 Å²	18	58 Å²	58	7%	0.068	27%	0.267	C	S	.	.			trans	-105.6	148	172.3	-64.7	76.6	0	0	0	110.5	Q213 M299 T300 Y303 N319 F425	Q213-W414 HydrophobicContact CG-CE3 4.21Å; Q213-W414 HydrophobicContact CG-CZ3 4.41Å; Q213-W414 VanDerWaalsContact OE1-CA 3.27Å; M299-W414 CarbonylContact C-O 3.35Å; M299-W414 WeakPolarHBondContact CA-O 3.01Å; T300-W414 HydrophobicContact CG2-CB 3.87Å; T300-W414 WeakPolarHBondContact CG2-O 3.31Å; T300-W414 PolarHBondContact N-O 3.37Å; T300-W414 WeakPolarHBondContact OG1-CB 3.39Å; T300-W414 PolarHBondContact OG1-N 3.18Å; T300-W414 VanDerWaalsContact OG1-N 3.14Å; T300-W414 PolarHBondContact OG1-O 2.75Å; Y303-W414 AromaticContact CE1-CD1 3.48Å; Y303-W414 VanDerWaalsContact CE1-CD1 3.48Å; Y303-W414 AromaticContact CE1-NE1 3.56Å; Y303-W414 AromaticContact CZ-NE1 3.67Å; Y303-W414 PolarHBondContact OH-NE1 3.37Å; Y303-W414 VanDerWaalsContact OH-NE1 3.09Å; N319-W414 WeakPolarHBondContact OD1-CH2 3.36Å; N319-W414 WeakPolarHBondContact OD1-CZ2 3.46Å; W414-F425 HydrophobicContact CH2-CD2 4.02Å; W414-F425 HydrophobicContact CH2-CE2 4.23Å; W414-F425 HydrophobicContact CH2-CG 4.34Å; W414-F425 HydrophobicContact CZ3-CD2 4.46Å
415	G	92.8	Very high	80.6	Confident	2 Å²	2	62 Å²	62	2%	0.021	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-63.1	140.6	168.5	0	0	0	0	0	111.7	G417 S418	G415-G417 PolarHBondContact O-N 3.33Å; G415-S418 VanDerWaalsContact O-CB 3.31Å; G415-S418 WeakPolarHBondContact O-CB 3.32Å; G415-S418 PolarHBondContact O-N 3.38Å; G415-S418 PolarHBondContact O-OG 3.14Å
416	K	86.1	Confident	79.2	Confident	124 Å²	124	66.3 Å²	66.3	54%	0.539	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	131	173.1	-169.8	179.3	-178.9	-176	0	109.2	K298	K298-K416 HydrophobicContact CB-CB 3.9Å; K298-K416 HydrophobicContact CB-CD 3.64Å; K298-K416 HydrophobicContact CB-CG 4.42Å; K298-K416 HydrophobicContact CD-CD 4.06Å; K298-K416 HydrophobicContact CG-CD 4.34Å; K298-K416 WeakPolarHBondContact O-CB 3.49Å; K298-K416 PolarHBondContact O-N 2.81Å
417	G	73.7	Confident	77.8	Confident	62 Å²	62	70.4 Å²	70.4	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	103	-18.1	-174.7	0	0	0	0	0	114.1	G415 K419	G415-G417 PolarHBondContact O-N 3.33Å; G417-K419 PolarHBondContact O-N 3.07Å
418	S	68.7	Low	76.2	Confident	13 Å²	13	73.4 Å²	73.4	9%	0.091	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	3.2	172.1	65.9	0	0	0	0	114.4	G415 K420 R421 R422	G415-S418 VanDerWaalsContact O-CB 3.31Å; G415-S418 WeakPolarHBondContact O-CB 3.32Å; G415-S418 PolarHBondContact O-N 3.38Å; G415-S418 PolarHBondContact O-OG 3.14Å; S418-K420 VanDerWaalsContact C-N 3.28Å; S418-K420 PolarHBondContact O-N 2.83Å; S418-K420 VanDerWaalsContact O-N 3.12Å; S418-R421 CarbonylContact O-C 3.5Å; S418-R421 WeakPolarHBondContact O-CA 3.09Å; S418-R421 WeakPolarHBondContact O-CB 3.37Å; S418-R421 PolarHBondContact O-N 2.91Å; S418-R422 PolarHBondContact O-N 3.15Å
419	K	56.5	Low	74.7	Confident	152 Å²	152	76 Å²	76	66%	0.661	35%	0.349	S	S	*	.	H	α-helix	trans	-52.4	-38.8	-173.3	-76.1	-172.7	178.4	178.7	0	113.5	G417 R422 R423	G417-K419 PolarHBondContact O-N 3.07Å; K419-R422 PolarHBondContact O-N 3.36Å; K419-R423 PolarHBondContact O-N 3.17Å
420	K	57.3	Low	73.6	Confident	182 Å²	182	83 Å²	83	79%	0.791	38%	0.38	S	S	*	.	H	α-helix	trans	-63.3	-42.8	176.3	-84	-173.1	177.5	-179.8	0	111.4	S418 K424	S418-K420 VanDerWaalsContact C-N 3.28Å; S418-K420 PolarHBondContact O-N 2.83Å; S418-K420 VanDerWaalsContact O-N 3.12Å; K420-K424 WeakPolarHBondContact O-CG 3.46Å; K420-K424 PolarHBondContact O-N 3.26Å; K420-K424 VanDerWaalsContact O-N 3.11Å
421	R	57.1	Low	72.5	Confident	124 Å²	124	87.6 Å²	87.6	47%	0.468	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-45.6	172.6	-88.9	-178.9	171.3	-176.4	-8.2	111.3	I212 Q213 S418 R423 K424 F425	I212-R421 PolarHBondContact O-NH1 3.29Å; Q213-R421 PolarHBondContact O-NH1 3.08Å; S418-R421 CarbonylContact O-C 3.5Å; S418-R421 WeakPolarHBondContact O-CA 3.09Å; S418-R421 WeakPolarHBondContact O-CB 3.37Å; S418-R421 PolarHBondContact O-N 2.91Å; R421-R423 PolarHBondContact O-N 2.99Å; R421-K424 PolarHBondContact O-N 2.76Å; R421-F425 WeakPolarHBondContact O-CB 3.33Å; R421-F425 WeakPolarHBondContact O-CD2 3.45Å; R421-F425 PolarHBondContact O-N 3.34Å
422	R	59.5	Low	71.2	Confident	97 Å²	97	94.9 Å²	94.9	37%	0.366	43%	0.431	S	S	.	.	H	α-helix	trans	-57.7	-42.5	177.3	-171.8	177.6	178.8	-171.6	-0.3	113.1	S418 K419 F425 K426	S418-R422 PolarHBondContact O-N 3.15Å; K419-R422 PolarHBondContact O-N 3.36Å; R422-F425 PolarHBondContact O-N 3.32Å; R422-K426 PolarHBondContact O-N 3.16Å
423	R	62.1	Low	70	Confident	191 Å²	191	98.9 Å²	98.9	72%	0.721	45%	0.449	S	S	*	.	H	α-helix	trans	-64.8	-47.4	175.2	-76.8	-176.2	177.7	175.9	-1.4	111.3	K419 R421 F425 K426 V427	K419-R423 PolarHBondContact O-N 3.17Å; R421-R423 PolarHBondContact O-N 2.99Å; R423-F425 VanDerWaalsContact C-N 3.31Å; R423-F425 PolarHBondContact O-N 2.66Å; R423-K426 PolarHBondContact O-N 2.74Å; R423-V427 WeakPolarHBondContact O-CG2 3.49Å; R423-V427 PolarHBondContact O-N 2.04Å
424	K	61.3	Low	69.2	Low	152 Å²	152	103 Å²	103	66%	0.661	47%	0.471	S	S	*	.	H	α-helix	trans	-56.7	-44.9	174.3	-76.6	-173.9	176.1	-170.1	0	111.5	K420 R421 V427 V428	K420-K424 WeakPolarHBondContact O-CG 3.46Å; K420-K424 PolarHBondContact O-N 3.26Å; K420-K424 VanDerWaalsContact O-N 3.11Å; R421-K424 PolarHBondContact O-N 2.76Å; K424-V427 PolarHBondContact O-N 3.36Å; K424-V428 WeakPolarHBondContact O-CB 3.42Å; K424-V428 VanDerWaalsContact O-CG2 3.28Å; K424-V428 WeakPolarHBondContact O-CG2 3.49Å; K424-V428 PolarHBondContact O-N 3.1Å
425	F	59.7	Low	68.4	Low	98 Å²	98	111 Å²	111	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-47	175.9	-97.1	-82	0	0	0	112.4	W414 R421 R422 R423 V427 V428 R429	W414-F425 HydrophobicContact CH2-CD2 4.02Å; W414-F425 HydrophobicContact CH2-CE2 4.23Å; W414-F425 HydrophobicContact CH2-CG 4.34Å; W414-F425 HydrophobicContact CZ3-CD2 4.46Å; R421-F425 WeakPolarHBondContact O-CB 3.33Å; R421-F425 WeakPolarHBondContact O-CD2 3.45Å; R421-F425 PolarHBondContact O-N 3.34Å; R422-F425 PolarHBondContact O-N 3.32Å; R423-F425 VanDerWaalsContact C-N 3.31Å; R423-F425 PolarHBondContact O-N 2.66Å; F425-V427 VanDerWaalsContact C-N 3.3Å; F425-V427 PolarHBondContact O-N 2.99Å; F425-V428 PolarHBondContact O-N 3.23Å; F425-R429 WeakPolarHBondContact O-CB 3.04Å; F425-R429 PolarHBondContact O-N 3.01Å
426	K	66.2	Low	67.4	Low	137 Å²	137	116.5 Å²	116.5	60%	0.596	52%	0.521	S	S	*	.	H	α-helix	trans	-59.2	-40.8	175	-77.2	-169.2	172.8	-162.9	0	112.4	R422 R423 K430	R422-K426 PolarHBondContact O-N 3.16Å; R423-K426 PolarHBondContact O-N 2.74Å; K426-K430 WeakPolarHBondContact O-CB 3.46Å; K426-K430 PolarHBondContact O-N 3.12Å
427	V	69.3	Low	66.9	Low	86 Å²	86	114.7 Å²	114.7	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-69.1	-50.2	179.1	172.4	0	0	0	0	111.3	R423 K424 F425 R429 K430 L431	R423-V427 WeakPolarHBondContact O-CG2 3.49Å; R423-V427 PolarHBondContact O-N 2.04Å; K424-V427 PolarHBondContact O-N 3.36Å; F425-V427 VanDerWaalsContact C-N 3.3Å; F425-V427 PolarHBondContact O-N 2.99Å; V427-R429 PolarHBondContact O-N 2.6Å; V427-K430 PolarHBondContact O-N 3.14Å; V427-L431 HydrophobicContact CG1-CD1 4.05Å; V427-L431 WeakPolarHBondContact O-CG 3.03Å; V427-L431 PolarHBondContact O-N 2.88Å
428	V	63.5	Low	67.1	Low	69 Å²	69	117.3 Å²	117.3	42%	0.418	51%	0.51	S	S	.	.	H	α-helix	trans	-57.9	-40.5	177.3	170.5	0	0	0	0	110.7	K424 F425 L431 R432	K424-V428 WeakPolarHBondContact O-CB 3.42Å; K424-V428 VanDerWaalsContact O-CG2 3.28Å; K424-V428 WeakPolarHBondContact O-CG2 3.49Å; K424-V428 PolarHBondContact O-N 3.1Å; F425-V428 PolarHBondContact O-N 3.23Å; V428-L431 PolarHBondContact O-N 3.21Å; V428-R432 WeakPolarHBondContact O-CG 3.23Å; V428-R432 PolarHBondContact O-N 3.22Å
429	R	62.4	Low	67.4	Low	84 Å²	84	123.5 Å²	123.5	32%	0.317	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-46.3	176.2	-173.7	173.2	168.2	179.8	-5.6	112.5	L164 E166 F425 V427 L431 R432 H433	L164-R429 VanDerWaalsContact C-NH2 3.28Å; L164-R429 PolarHBondContact O-NH1 3.49Å; L164-R429 PolarHBondContact O-NH2 3.16Å; E166-R429 WeakPolarHBondContact OE1-CG 3.33Å; E166-R429 IonicContact OE1-CZ 2.61Å; E166-R429 IonicContact OE1-NE 3.05Å; E166-R429 PolarHBondContact OE1-NE 3.41Å; E166-R429 IonicContact OE1-NH2 3.22Å; F425-R429 WeakPolarHBondContact O-CB 3.04Å; F425-R429 PolarHBondContact O-N 3.01Å; V427-R429 PolarHBondContact O-N 2.6Å; R429-L431 VanDerWaalsContact C-N 3.26Å; R429-L431 PolarHBondContact O-N 2.8Å; R429-R432 PolarHBondContact O-N 3.04Å; R429-R432 VanDerWaalsContact O-N 3.16Å; R429-H433 PolarHBondContact O-N 2.69Å
430	K	71.7	Confident	68	Low	149 Å²	149	124.2 Å²	124.2	65%	0.648	54%	0.543	S	S	*	.	H	α-helix	trans	-57.8	-40.7	174.7	-167.8	176.3	-178.2	-177.1	0	111.5	K426 V427 H433 L434	K426-K430 WeakPolarHBondContact O-CB 3.46Å; K426-K430 PolarHBondContact O-N 3.12Å; V427-K430 PolarHBondContact O-N 3.14Å; K430-H433 PolarHBondContact O-N 3.33Å; K430-L434 HydrophobicContact CG-CD1 4.34Å; K430-L434 VanDerWaalsContact O-CG 3.26Å; K430-L434 WeakPolarHBondContact O-CG 3.15Å; K430-L434 PolarHBondContact O-N 2.95Å
431	L	73.4	Confident	68.7	Low	95 Å²	95	123.4 Å²	123.4	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-66.6	-40.4	176.5	-70.4	169.8	0	0	0	112.8	V427 V428 R429 L434 R435	V427-L431 HydrophobicContact CG1-CD1 4.05Å; V427-L431 WeakPolarHBondContact O-CG 3.03Å; V427-L431 PolarHBondContact O-N 2.88Å; V428-L431 PolarHBondContact O-N 3.21Å; R429-L431 VanDerWaalsContact C-N 3.26Å; R429-L431 PolarHBondContact O-N 2.8Å; L431-L434 PolarHBondContact O-N 2.91Å; L431-R435 WeakPolarHBondContact O-CG 3.25Å; L431-R435 PolarHBondContact O-N 3.01Å
432	R	70.1	Confident	68.9	Low	157 Å²	157	127 Å²	127	59%	0.592	57%	0.567	S	S	*	*	H	α-helix	trans	-64.9	-42.3	175.1	-75.8	178.3	176.4	-173.6	-2.7	111.9	V428 R429 R435 R436	V428-R432 WeakPolarHBondContact O-CG 3.23Å; V428-R432 PolarHBondContact O-N 3.22Å; R429-R432 PolarHBondContact O-N 3.04Å; R429-R432 VanDerWaalsContact O-N 3.16Å; R432-R435 PolarHBondContact O-N 3.03Å; R432-R436 PolarHBondContact O-N 3.37Å
433	H	69.9	Low	69.4	Low	85 Å²	85	128.5 Å²	128.5	39%	0.394	58%	0.577	S	S	.	*	H	α-helix	trans	-60.2	-47.3	175.4	-172.2	74.6	0	0	0	111.7	R429 K430 R435 R436 Q437	R429-H433 PolarHBondContact O-N 2.69Å; K430-H433 PolarHBondContact O-N 3.33Å; H433-R435 VanDerWaalsContact C-N 3.34Å; H433-R435 PolarHBondContact O-N 3.19Å; H433-R436 PolarHBondContact O-N 3.49Å; H433-Q437 PolarHBondContact NE2-NE2 3.2Å; H433-Q437 WeakPolarHBondContact O-CG 3.41Å; H433-Q437 PolarHBondContact O-N 2.03Å
434	L	78.7	Confident	69.8	Low	87 Å²	87	125.2 Å²	125.2	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-61.2	-40	176.3	-71.4	168.1	0	0	0	112.5	K430 L431 Q437 H438	K430-L434 HydrophobicContact CG-CD1 4.34Å; K430-L434 VanDerWaalsContact O-CG 3.26Å; K430-L434 WeakPolarHBondContact O-CG 3.15Å; K430-L434 PolarHBondContact O-N 2.95Å; L431-L434 PolarHBondContact O-N 2.91Å; L434-Q437 PolarHBondContact O-N 3.23Å; L434-H438 WeakPolarHBondContact O-CB 3.19Å; L434-H438 PolarHBondContact O-N 3.4Å
435	R	76.5	Confident	70.3	Confident	184 Å²	184	123.7 Å²	123.7	69%	0.694	56%	0.564	S	S	*	*	H	α-helix	trans	-64.4	-41.7	175.5	-76.6	179.4	-178.9	-171.6	-1.1	112.5	L431 R432 H433 H438 Q439	L431-R435 WeakPolarHBondContact O-CG 3.25Å; L431-R435 PolarHBondContact O-N 3.01Å; R432-R435 PolarHBondContact O-N 3.03Å; H433-R435 VanDerWaalsContact C-N 3.34Å; H433-R435 PolarHBondContact O-N 3.19Å; R435-H438 PolarHBondContact O-N 2.59Å; R435-Q439 WeakPolarHBondContact O-CG 2.87Å; R435-Q439 PolarHBondContact O-N 3.1Å
436	R	71.9	Confident	70.9	Confident	118 Å²	118	125.2 Å²	125.2	45%	0.445	57%	0.572	S	S	.	*	H	α-helix	trans	-65.5	-41.9	176.7	-75.2	179.3	174.9	177.4	-3.2	111.9	R432 H433 H438 Q439 Q440	R432-R436 PolarHBondContact O-N 3.37Å; H433-R436 PolarHBondContact O-N 3.49Å; R436-H438 VanDerWaalsContact C-N 3.3Å; R436-H438 PolarHBondContact O-N 3.31Å; R436-Q439 PolarHBondContact O-N 3.23Å; R436-Q440 WeakPolarHBondContact O-CG 3.28Å; R436-Q440 PolarHBondContact O-N 3.14Å; R436-Q440 VanDerWaalsContact O-N 3.1Å
437	Q	75.9	Confident	71.2	Confident	87 Å²	87	124.4 Å²	124.4	41%	0.407	57%	0.57	S	S	.	*	H	α-helix	trans	-61.1	-40.8	174.1	-74.3	-175.8	-36.6	0	0	111.8	H433 L434 Q440 Q441	H433-Q437 PolarHBondContact NE2-NE2 3.2Å; H433-Q437 WeakPolarHBondContact O-CG 3.41Å; H433-Q437 PolarHBondContact O-N 2.03Å; L434-Q437 PolarHBondContact O-N 3.23Å; Q437-Q440 PolarHBondContact O-N 2.73Å; Q437-Q441 WeakPolarHBondContact O-CG 3.39Å; Q437-Q441 PolarHBondContact O-N 3.13Å
438	H	76.5	Confident	71.3	Confident	116 Å²	116	127 Å²	127	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-65.9	-38.6	176.8	-168.7	56.5	0	0	0	112.6	L434 R435 R436 Q440 Q441 M442	L434-H438 WeakPolarHBondContact O-CB 3.19Å; L434-H438 PolarHBondContact O-N 3.4Å; R435-H438 PolarHBondContact O-N 2.59Å; R436-H438 VanDerWaalsContact C-N 3.3Å; R436-H438 PolarHBondContact O-N 3.31Å; H438-Q440 VanDerWaalsContact C-N 3.32Å; H438-Q440 PolarHBondContact O-N 3.3Å; H438-Q441 PolarHBondContact O-N 2.89Å; H438-M442 WeakPolarHBondContact O-CG 3.31Å; H438-M442 PolarHBondContact O-N 3.12Å
439	Q	75.2	Confident	71.9	Confident	144 Å²	144	131.1 Å²	131.1	67%	0.673	59%	0.585	S	S	*	*	H	α-helix	trans	-70.3	-22.4	176.5	-75.6	176.7	-26.1	0	0	114.2	R435 R436	R435-Q439 WeakPolarHBondContact O-CG 2.87Å; R435-Q439 PolarHBondContact O-N 3.1Å; R436-Q439 PolarHBondContact O-N 3.23Å
440	Q	70.6	Confident	72.6	Confident	167 Å²	167	134.8 Å²	134.8	78%	0.78	61%	0.605	S	S	*	*	H	α-helix	trans	-87.6	-13.8	176	-73.4	178.6	-19.7	0	0	113.3	R436 Q437 H438	R436-Q440 WeakPolarHBondContact O-CG 3.28Å; R436-Q440 PolarHBondContact O-N 3.14Å; R436-Q440 VanDerWaalsContact O-N 3.1Å; Q437-Q440 PolarHBondContact O-N 2.73Å; H438-Q440 VanDerWaalsContact C-N 3.32Å; H438-Q440 PolarHBondContact O-N 3.3Å
441	Q	70.5	Confident	72.7	Confident	165 Å²	165	133.6 Å²	133.6	77%	0.771	60%	0.602	S	S	*	*	H	α-helix	trans	-94.8	-16.8	178.1	-74.8	178.9	-11.6	0	0	113.4	Q437 H438	Q437-Q441 WeakPolarHBondContact O-CG 3.39Å; Q437-Q441 PolarHBondContact O-N 3.13Å; H438-Q441 PolarHBondContact O-N 2.89Å
442	M	62.6	Low	72.6	Confident	198 Å²	198	137.1 Å²	137.1	98%	0.975	61%	0.611	S	S	*	*			trans	-90	0	171.3	-65.6	-91.1	-70.4	0	0	108.8	H438	H438-M442 WeakPolarHBondContact O-CG 3.31Å; H438-M442 PolarHBondContact O-N 3.12Å

Retrieved 442 of 442 residues in 619.8 ms (Link to these results)

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