A0A075BV59_HUMAN Loading...

Endoplasmic reticulum aminopeptidase 1 delta-Exon-13 isoform

AlphaFold DB , UniProt , Accession A0A075BV59, Species HUMAN (Homo sapiens, Human), Gene ERAP1, Length 602 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	34	Very low	36.3	Very low	245 Å²	245	162.3 Å²	162.3	100%	1.207	84%	0.842	S	S	*	*				0	115	0	-79.7	174.6	169.8	0	0	106.6
2	V	29.1	Very low	36.8	Very low	138 Å²	138	156.4 Å²	156.4	84%	0.836	82%	0.819	S	S	*	*			cis	-146.1	135.7	3.3	160.7	0	0	0	0	105.1
3	F	30.8	Very low	37.1	Very low	193 Å²	193	158.7 Å²	158.7	85%	0.846	83%	0.827	S	S	*	*			trans	-81.4	140.8	167.3	-94.1	-99	0	0	0	109.6
4	L	32.2	Very low	37.5	Very low	169 Å²	169	154.5 Å²	154.5	89%	0.885	82%	0.818	S	S	*	*				176.2	152.1	120.4	-95	145.5	0	0	0	112
5	P	41.7	Very low	37.7	Very low	99 Å²	99	155.8 Å²	155.8	64%	0.643	81%	0.814	S	S	*	*			trans	-101	162.5	-169.7	40	-31.5	0	0	0	112.3
6	L	32.9	Very low	37.9	Very low	161 Å²	161	154.7 Å²	154.7	84%	0.843	81%	0.808	S	S	*	*			trans	-126.1	114.2	162.1	-114.6	89	0	0	0	111.7
7	K	35.6	Very low	38.1	Very low	200 Å²	200	154.2 Å²	154.2	87%	0.87	81%	0.806	S	S	*	*			trans	-59.9	140.3	166	-71	172	172	177.8	0	110.1
8	W	33.8	Very low	38.1	Very low	217 Å²	217	149.7 Å²	149.7	82%	0.822	79%	0.79	S	S	*	*			trans	-107.4	137.2	160.4	-83.5	64.9	0	0	0	110.6
9	S	36.8	Very low	38.1	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	77%	0.774	S	S	*	*			trans	-82.4	150.9	-174.7	166.4	0	0	0	0	111.8	A11	S9-A11 PolarHBondContact O-N 3.19Å
10	L	46.8	Very low	38.1	Very low	186 Å²	186	145.3 Å²	145.3	97%	0.974	77%	0.772	S	S	*	*	S	Bend	trans	-66.2	31.7	-176.5	-99	136.3	0	0	0	115.8
11	A	45.7	Very low	38	Very low	81 Å²	81	145 Å²	145	67%	0.669	77%	0.77	S	S	*	*			trans	-120.1	17.6	-171.6	0	0	0	0	0	115.5	S9	S9-A11 PolarHBondContact O-N 3.19Å
12	T	42.5	Very low	38.1	Very low	92 Å²	92	137.4 Å²	137.4	56%	0.564	75%	0.746	S	S	*	*	S	Bend	trans	-124.2	12.3	179.8	46.4	0	0	0	0	114.7
13	M	40.7	Very low	38.4	Very low	186 Å²	186	138.5 Å²	138.5	92%	0.916	75%	0.746	S	S	*	*	S	Bend	trans	-102.2	24.2	179	-140.2	-177.4	134.4	0	0	113.8
14	S	42.6	Very low	38.6	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	74%	0.743	S	S	*	*	S	Bend	trans	-132.2	8	175.9	-157.9	0	0	0	0	114.5
15	F	40.1	Very low	39	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.763	74%	0.737	S	S	*	*	S	Bend	trans	-113.9	3.3	178.9	-101.9	-82.3	0	0	0	114.6
16	L	40.8	Very low	38.7	Very low	138 Å²	138	136.1 Å²	136.1	72%	0.723	75%	0.746	S	S	*	*	S	Bend	trans	-104.2	-1.9	176.4	-91.6	155.2	0	0	0	114.1
17	L	41.6	Very low	38.6	Very low	146 Å²	146	133.1 Å²	133.1	76%	0.764	74%	0.739	S	S	*	*	S	Bend	trans	-103.7	-9.7	174.8	-99	111	0	0	0	114.3
18	S	39	Very low	38.3	Very low	74 Å²	74	129.8 Å²	129.8	52%	0.517	74%	0.736	S	S	.	*	S	Bend	trans	-97.6	-9.2	179.6	44.9	0	0	0	0	114.3
19	S	37.4	Very low	38.2	Very low	71 Å²	71	125.4 Å²	125.4	50%	0.497	74%	0.735	S	S	.	*	S	Bend	trans	-98	-3.8	175.1	43.4	0	0	0	0	114.1
20	L	37.3	Very low	37.9	Very low	139 Å²	139	125.1 Å²	125.1	73%	0.728	73%	0.733	S	S	*	*	S	Bend	trans	-97.6	-8.7	175.1	-125.5	93	0	0	0	114.4
21	L	37.3	Very low	37	Very low	141 Å²	141	127.6 Å²	127.6	74%	0.738	73%	0.73	S	S	*	*	S	Bend	trans	-106.3	-2	178.4	-103.7	90	0	0	0	114.8
22	A	35.6	Very low	36.1	Very low	84 Å²	84	129.2 Å²	129.2	69%	0.694	74%	0.735	S	S	*	*	S	Bend	trans	-102	20.1	-179.6	0	0	0	0	0	114
23	L	34.4	Very low	35.6	Very low	162 Å²	162	133 Å²	133	85%	0.848	75%	0.747	S	S	*	*	S	Bend	trans	-122	14.5	175.9	-105.5	148.1	0	0	0	113
24	L	35.2	Very low	35.1	Very low	147 Å²	147	129.5 Å²	129.5	77%	0.77	74%	0.74	S	S	*	*	S	Bend	trans	-115.3	15.9	-175.5	-93.7	164.1	0	0	0	115.5
25	T	41.9	Very low	34.6	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	74%	0.738	S	S	*	*			trans	-146.1	74.3	175.8	56.4	0	0	0	0	113
26	V	34.9	Very low	34.6	Very low	137 Å²	137	128.5 Å²	128.5	83%	0.83	73%	0.734	S	S	*	*	S	Bend	trans	-145.5	113.7	155.1	-175.9	0	0	0	0	109.9
27	S	30.4	Very low	34.6	Very low	99 Å²	99	125.5 Å²	125.5	69%	0.692	73%	0.729	S	S	*	*			trans	44.6	105.9	158.7	63.3	0	0	0	0	119.3	P29	S27-P29 WeakPolarHBondContact O-CD 3.47Å
28	T	28.9	Very low	34.8	Very low	130 Å²	130	121.2 Å²	121.2	80%	0.798	71%	0.712	S	S	*	*			trans	-51.4	122.2	155	47.5	0	0	0	0	111.2	S30	T28-S30 PolarHBondContact O-N 2.89Å
29	P	32.2	Very low	35.5	Very low	125 Å²	125	119.3 Å²	119.3	81%	0.812	70%	0.697	S	S	*	*			trans	-77	100.1	158.3	12.9	2.6	0	0	0	106.9	S27	S27-P29 WeakPolarHBondContact O-CD 3.47Å
30	S	30.3	Very low	35.8	Very low	90 Å²	90	124 Å²	124	63%	0.629	71%	0.709	S	S	*	*			trans	-71.7	140.5	156.5	79.7	0	0	0	0	107.9	T28	T28-S30 PolarHBondContact O-N 2.89Å
31	W	27.5	Very low	36.7	Very low	237 Å²	237	122 Å²	122	90%	0.898	69%	0.691	S	S	*	*			trans	86.6	119.3	172.8	-58.1	42.7	0	0	0	113.6
32	C	27.2	Very low	37.5	Very low	116 Å²	116	121.4 Å²	121.4	78%	0.784	70%	0.699	S	S	*	*			cis	-132.2	110.3	22.9	-121.2	0	0	0	0	109.8	S34	C32-S34 PolarHBondContact O-N 2.58Å
33	Q	31.7	Very low	38.3	Very low	172 Å²	172	121.5 Å²	121.5	80%	0.804	69%	0.688	S	S	*	*			trans	-63.7	115.2	147	-81.4	172.6	-22.2	0	0	105	T35	Q33-T35 PolarHBondContact O-N 3.3Å
34	S	30.8	Very low	39.5	Very low	111 Å²	111	116.4 Å²	116.4	78%	0.776	67%	0.674	S	S	*	*			trans	-69.2	76	156.7	52.5	0	0	0	0	106.9	C32 E36	C32-S34 PolarHBondContact O-N 2.58Å; S34-E36 VanDerWaalsContact C-N 3.27Å; S34-E36 PolarHBondContact O-N 3.04Å
35	T	32.8	Very low	41.4	Very low	108 Å²	108	112.3 Å²	112.3	66%	0.663	66%	0.655	S	S	*	*			trans	-52.1	108.2	144.3	43.5	0	0	0	0	103.9	Q33 A37	Q33-T35 PolarHBondContact O-N 3.3Å; T35-A37 VanDerWaalsContact C-N 3.29Å; T35-A37 PolarHBondContact O-N 3.49Å
36	E	38.3	Very low	43.5	Very low	146 Å²	146	110.1 Å²	110.1	68%	0.682	64%	0.643	S	S	*	*			trans	-47.6	106.4	167.1	-81.2	-178.5	158	0	0	105.8	S34 S38 N50	S34-E36 VanDerWaalsContact C-N 3.27Å; S34-E36 PolarHBondContact O-N 3.04Å; E36-S38 PolarHBondContact O-N 2.8Å; E36-S38 VanDerWaalsContact O-N 3.08Å; E36-N50 PolarHBondContact OE2-ND2 2.78Å
37	A	41.7	Very low	46.3	Very low	74 Å²	74	103.9 Å²	103.9	61%	0.612	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-60.2	123	-175.7	0	0	0	0	0	106	T35	T35-A37 VanDerWaalsContact C-N 3.29Å; T35-A37 PolarHBondContact O-N 3.49Å
38	S	45.1	Very low	49.4	Very low	57 Å²	57	102 Å²	102	40%	0.399	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-46.1	128.6	171.5	-57.7	0	0	0	0	107.9	E36 K40	E36-S38 PolarHBondContact O-N 2.8Å; E36-S38 VanDerWaalsContact O-N 3.08Å; S38-K40 PolarHBondContact O-N 2.94Å; S38-K40 VanDerWaalsContact O-N 3.08Å
39	P	55	Low	52.6	Low	33 Å²	33	98 Å²	98	21%	0.214	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-56.6	123.9	-173.1	18.6	-28.3	0	0	0	109	F47 N50 H125	P39-F47 HydrophobicContact CG-CB 4.42Å; P39-F47 PolarHBondContact O-N 3.34Å; P39-N50 HydrophobicContact CG-CB 4.44Å; P39-H125 WeakPolarHBondContact CB-NE2 3.36Å
40	K	44	Very low	55.6	Low	170 Å²	170	94.8 Å²	94.8	74%	0.739	54%	0.537	S	S	*	.	B	Isolated β-bridge	trans	-82.8	127.8	-175.1	-66.4	-174.6	-179.7	-178.7	0	109.1	S38	S38-K40 PolarHBondContact O-N 2.94Å; S38-K40 VanDerWaalsContact O-N 3.08Å
41	R	56.3	Low	58.8	Low	96 Å²	96	96.1 Å²	96.1	36%	0.362	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-65	166	173.7	-173.7	167.2	-179	-155.6	15.6	111.4	D43 G44 T45	R41-D43 VanDerWaalsContact CB-OD1 3.24Å; R41-D43 WeakPolarHBondContact CB-OD1 3.28Å; R41-D43 VanDerWaalsContact CD-CG 3.45Å; R41-D43 WeakPolarHBondContact CD-OD1 3.39Å; R41-D43 WeakPolarHBondContact CD-OD2 3.1Å; R41-D43 HydrophobicContact CG-CB 4.47Å; R41-D43 WeakPolarHBondContact CG-OD1 3.21Å; R41-D43 IonicContact CZ-OD2 3.93Å; R41-D43 IonicContact NE-OD2 2.91Å; R41-D43 PolarHBondContact NE-OD2 3.43Å; R41-D43 IonicContact NH1-OD2 3.3Å; R41-D43 PolarHBondContact NH1-OD2 2.78Å; R41-D43 PolarHBondContact O-N 2.88Å; R41-D43 VanDerWaalsContact O-N 3.15Å; R41-G44 PolarHBondContact O-N 3.07Å; R41-G44 VanDerWaalsContact O-N 3.15Å; R41-T45 VanDerWaalsContact CB-O 3.29Å; R41-T45 WeakPolarHBondContact CB-O 3.29Å; R41-T45 PolarHBondContact N-O 2.84Å
42	S	53	Low	62	Low	129 Å²	129	87.1 Å²	87.1	90%	0.902	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.3	167.6	53.5	0	0	0	0	114.1
43	D	53	Low	65.4	Low	87 Å²	87	84.8 Å²	84.8	47%	0.465	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	0.3	178	71.8	5.6	0	0	0	114.3	R41 T45	R41-D43 VanDerWaalsContact CB-OD1 3.24Å; R41-D43 WeakPolarHBondContact CB-OD1 3.28Å; R41-D43 VanDerWaalsContact CD-CG 3.45Å; R41-D43 WeakPolarHBondContact CD-OD1 3.39Å; R41-D43 WeakPolarHBondContact CD-OD2 3.1Å; R41-D43 HydrophobicContact CG-CB 4.47Å; R41-D43 WeakPolarHBondContact CG-OD1 3.21Å; R41-D43 IonicContact CZ-OD2 3.93Å; R41-D43 IonicContact NE-OD2 2.91Å; R41-D43 PolarHBondContact NE-OD2 3.43Å; R41-D43 IonicContact NH1-OD2 3.3Å; R41-D43 PolarHBondContact NH1-OD2 2.78Å; R41-D43 PolarHBondContact O-N 2.88Å; R41-D43 VanDerWaalsContact O-N 3.15Å; D43-T45 PolarHBondContact OD1-N 3.38Å; D43-T45 PolarHBondContact OD1-OG1 2.78Å
44	G	59.9	Low	68.6	Low	54 Å²	54	76.9 Å²	76.9	56%	0.557	44%	0.438	S	S	*	.	S	Bend	trans	86.1	-5	178.2	0	0	0	0	0	116.9	R41	R41-G44 PolarHBondContact O-N 3.07Å; R41-G44 VanDerWaalsContact O-N 3.15Å
45	T	73.6	Confident	71.8	Confident	61 Å²	61	71.8 Å²	71.8	37%	0.374	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-75.1	134.1	171.9	54.8	0	0	0	0	111.1	R41 D43	R41-T45 VanDerWaalsContact CB-O 3.29Å; R41-T45 WeakPolarHBondContact CB-O 3.29Å; R41-T45 PolarHBondContact N-O 2.84Å; D43-T45 PolarHBondContact OD1-N 3.38Å; D43-T45 PolarHBondContact OD1-OG1 2.78Å
46	P	87.6	Confident	74.9	Confident	80 Å²	80	73.8 Å²	73.8	52%	0.519	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-76.4	133.2	179.9	29.3	-32.1	0	0	0	110.7
47	F	93.6	Very high	77.7	Confident	7 Å²	7	69.1 Å²	69.1	3%	0.031	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-75.1	133.3	169.5	-166.4	-111.7	0	0	0	109.3	P39 W49 I94 L123 H125 Q130 A132	P39-F47 HydrophobicContact CG-CB 4.42Å; P39-F47 PolarHBondContact O-N 3.34Å; F47-W49 HydrophobicContact CD1-CB 4.29Å; F47-W49 VanDerWaalsContact CD1-O 3.23Å; F47-W49 WeakPolarHBondContact CD1-O 3.41Å; F47-W49 HydrophobicContact CE1-CB 4.08Å; F47-W49 PolarHBondContact O-N 2.73Å; F47-W49 VanDerWaalsContact O-N 3.09Å; F47-I94 HydrophobicContact CZ-CD1 4.4Å; F47-L123 HydrophobicContact CD2-CB 4.18Å; F47-L123 HydrophobicContact CE2-CB 4.26Å; F47-H125 HydrophobicContact CB-CB 4.46Å; F47-H125 HydrophobicContact CD1-CB 3.71Å; F47-H125 HydrophobicContact CD2-CB 3.72Å; F47-H125 HydrophobicContact CE1-CB 3.78Å; F47-H125 HydrophobicContact CE2-CB 3.76Å; F47-H125 HydrophobicContact CG-CB 3.72Å; F47-H125 HydrophobicContact CZ-CB 3.81Å; F47-Q130 HydrophobicContact CE1-CB 4.11Å; F47-Q130 HydrophobicContact CZ-CB 3.94Å; F47-A132 HydrophobicContact CD2-CB 4.24Å; F47-A132 HydrophobicContact CE2-CB 3.51Å; F47-A132 HydrophobicContact CZ-CB 3.8Å
48	P	94.9	Very high	80.4	Confident	59 Å²	59	65.7 Å²	65.7	38%	0.383	35%	0.353	S	S	.	.	S	Bend	trans	-74.8	2.1	-168.9	29.7	-36.5	0	0	0	114.8	T92 I94 A132 L134	P48-T92 HydrophobicContact CB-CG2 4.17Å; P48-T92 HydrophobicContact CG-CG2 3.69Å; P48-I94 HydrophobicContact CG-CD1 4.03Å; P48-A132 HydrophobicContact CG-CB 3.6Å; P48-L134 HydrophobicContact CG-CD2 4.27Å
49	W	96.6	Very high	82.9	Confident	47 Å²	47	66.1 Å²	66.1	18%	0.178	35%	0.349	C	S	.	.			trans	-136.3	141	179.9	-170.7	-111.9	0	0	0	110.2	F47 K51 R53 P55 I94	F47-W49 HydrophobicContact CD1-CB 4.29Å; F47-W49 VanDerWaalsContact CD1-O 3.23Å; F47-W49 WeakPolarHBondContact CD1-O 3.41Å; F47-W49 HydrophobicContact CE1-CB 4.08Å; F47-W49 PolarHBondContact O-N 2.73Å; F47-W49 VanDerWaalsContact O-N 3.09Å; W49-K51 HydrophobicContact CZ2-CB 4.11Å; W49-K51 HydrophobicContact CZ2-CD 4.13Å; W49-K51 HydrophobicContact CZ2-CG 4.4Å; W49-K51 PolarHBondContact NE1-O 3.11Å; W49-K51 VanDerWaalsContact NE1-O 3.14Å; W49-R53 WeakPolarHBondContact CZ2-O 3.37Å; W49-R53 PolarHBondContact NE1-O 2.84Å; W49-P55 HydrophobicContact CD2-CG 3.83Å; W49-P55 HydrophobicContact CE3-CG 3.9Å; W49-P55 HydrophobicContact CH2-CB 3.82Å; W49-P55 HydrophobicContact CH2-CG 3.87Å; W49-P55 HydrophobicContact CZ2-CB 4.06Å; W49-P55 HydrophobicContact CZ2-CG 3.8Å; W49-P55 HydrophobicContact CZ3-CB 4.1Å; W49-P55 HydrophobicContact CZ3-CG 3.92Å; W49-I94 HydrophobicContact CB-CD1 3.84Å; W49-I94 HydrophobicContact CB-CG1 3.89Å; W49-I94 HydrophobicContact CB-CG2 4.36Å; W49-I94 HydrophobicContact CG-CG1 4.16Å; W49-I94 HydrophobicContact CG-CG2 4.31Å
50	N	95.5	Very high	85	Confident	57 Å²	57	64.7 Å²	64.7	31%	0.305	34%	0.34	S	S	.	.			trans	-121.8	7.8	-173.5	73.9	-22.9	0	0	0	114.2	E36 P39 Q128	E36-N50 PolarHBondContact OE2-ND2 2.78Å; P39-N50 HydrophobicContact CG-CB 4.44Å; N50-Q128 VanDerWaalsContact C-NE2 3.31Å; N50-Q128 PolarHBondContact O-NE2 2.88Å
51	K	96.4	Very high	87.6	Confident	117 Å²	117	60 Å²	60	51%	0.509	33%	0.325	S	S	.	.			trans	-110.7	150	179.6	-59.8	-175.3	178	-174.9	0	112	W49 Q128 Q130	W49-K51 HydrophobicContact CZ2-CB 4.11Å; W49-K51 HydrophobicContact CZ2-CD 4.13Å; W49-K51 HydrophobicContact CZ2-CG 4.4Å; W49-K51 PolarHBondContact NE1-O 3.11Å; W49-K51 VanDerWaalsContact NE1-O 3.14Å; K51-Q128 PolarHBondContact O-NE2 2.7Å; K51-Q130 PolarHBondContact O-NE2 2.88Å
52	I	95.9	Very high	89.6	Confident	49 Å²	49	56.5 Å²	56.5	25%	0.251	31%	0.313	S	S	.	.	S	Bend	trans	-67.7	-41.3	172.1	-67.5	173.9	0	0	0	110.3	Q128 Q130 E424 N425	I52-Q128 HydrophobicContact CG1-CG 4.49Å; I52-Q130 PolarHBondContact O-NE2 3.06Å; I52-E424 HydrophobicContact CB-CG 3.95Å; I52-E424 HydrophobicContact CD1-CG 3.93Å; I52-E424 HydrophobicContact CG1-CG 4.47Å; I52-E424 HydrophobicContact CG2-CG 4.17Å; I52-N425 HydrophobicContact CD1-CB 4.14Å
53	R	97.9	Very high	91.8	Very high	67 Å²	67	50.3 Å²	50.3	25%	0.253	27%	0.27	S	S	.	.	S	Bend	trans	-67.5	137.9	173.3	-62.1	-60.9	-57	-79	-5	111	W49 E196	W49-R53 WeakPolarHBondContact CZ2-O 3.37Å; W49-R53 PolarHBondContact NE1-O 2.84Å; R53-E196 WeakPolarHBondContact CA-OE1 3.36Å; R53-E196 IonicContact CZ-OE2 3.38Å; R53-E196 VanDerWaalsContact CZ-OE2 3.28Å; R53-E196 IonicContact NE-OE1 3.74Å; R53-E196 PolarHBondContact NE-OE1 2.73Å; R53-E196 IonicContact NE-OE2 2.79Å; R53-E196 PolarHBondContact NE-OE2 2.83Å; R53-E196 IonicContact NH2-OE2 3.77Å; R53-E196 PolarHBondContact NH2-OE2 2.83Å
54	L	98.4	Very high	94	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.7	158.7	177.6	-66	-179.4	0	0	0	111.9	E56 I94 H96 Q130 F194 E196 F199	L54-E56 PolarHBondContact O-N 2.82Å; L54-I94 HydrophobicContact CD2-CB 4.5Å; L54-I94 HydrophobicContact CD2-CG2 3.84Å; L54-H96 WeakPolarHBondContact CD1-ND1 3.27Å; L54-H96 VanDerWaalsContact CG-CE1 3.41Å; L54-H96 WeakPolarHBondContact CG-CE1 3.44Å; L54-Q130 HydrophobicContact CD2-CG 4.16Å; L54-F194 HydrophobicContact CD1-CB 3.99Å; L54-F194 HydrophobicContact CD1-CD1 3.87Å; L54-F194 HydrophobicContact CD1-CG 4.34Å; L54-E196 HydrophobicContact CD1-CG 4.35Å; L54-E196 HydrophobicContact CG-CG 4.47Å; L54-E196 PolarHBondContact N-OE1 2.6Å; L54-F199 HydrophobicContact CB-CE2 4.06Å; L54-F199 HydrophobicContact CB-CZ 4.34Å; L54-F199 HydrophobicContact CD1-CD2 4.47Å; L54-F199 HydrophobicContact CD1-CE2 4.13Å
55	P	98.1	Very high	95.8	Very high	5 Å²	5	45 Å²	45	3%	0.032	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.5	131.5	168.1	-9.4	22.1	0	0	0	111.5	W49 Y57 I94	W49-P55 HydrophobicContact CD2-CG 3.83Å; W49-P55 HydrophobicContact CE3-CG 3.9Å; W49-P55 HydrophobicContact CH2-CB 3.82Å; W49-P55 HydrophobicContact CH2-CG 3.87Å; W49-P55 HydrophobicContact CZ2-CB 4.06Å; W49-P55 HydrophobicContact CZ2-CG 3.8Å; W49-P55 HydrophobicContact CZ3-CB 4.1Å; W49-P55 HydrophobicContact CZ3-CG 3.92Å; P55-Y57 VanDerWaalsContact C-N 3.26Å; P55-Y57 HydrophobicContact CB-CD1 3.88Å; P55-Y57 HydrophobicContact CB-CE1 3.37Å; P55-Y57 HydrophobicContact CB-CE2 4.1Å; P55-Y57 HydrophobicContact CB-CG 4.45Å; P55-Y57 VanDerWaalsContact CB-CZ 3.48Å; P55-Y57 HydrophobicContact CG-CE1 4.42Å; P55-Y57 PolarHBondContact O-N 2.73Å; P55-I94 HydrophobicContact CG-CB 3.87Å; P55-I94 HydrophobicContact CG-CG1 3.79Å
56	E	97.5	Very high	97	Very high	149 Å²	149	43.7 Å²	43.7	70%	0.696	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.6	-178	-62.8	177.1	-174.9	0	0	113.8	L54 I59	L54-E56 PolarHBondContact O-N 2.82Å; E56-I59 WeakPolarHBondContact O-CD1 3.18Å
57	Y	97.3	Very high	97.6	Very high	48 Å²	48	39.9 Å²	39.9	19%	0.188	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.9	-175.3	57.8	-103.8	0	0	0	114.6	P55 A86 S87 Q88 T90	P55-Y57 VanDerWaalsContact C-N 3.26Å; P55-Y57 HydrophobicContact CB-CD1 3.88Å; P55-Y57 HydrophobicContact CB-CE1 3.37Å; P55-Y57 HydrophobicContact CB-CE2 4.1Å; P55-Y57 HydrophobicContact CB-CG 4.45Å; P55-Y57 VanDerWaalsContact CB-CZ 3.48Å; P55-Y57 HydrophobicContact CG-CE1 4.42Å; P55-Y57 PolarHBondContact O-N 2.73Å; Y57-A86 CarbonylContact O-C 3.15Å; Y57-A86 WeakPolarHBondContact O-CA 3.19Å; Y57-S87 WeakPolarHBondContact CA-OG 3.42Å; Y57-S87 WeakPolarHBondContact CB-OG 3.41Å; Y57-S87 PolarHBondContact O-N 2.9Å; Y57-S87 PolarHBondContact O-OG 2.67Å; Y57-Q88 HydrophobicContact CD2-CB 4.46Å; Y57-Q88 HydrophobicContact CG-CB 4.26Å; Y57-Q88 HydrophobicContact CG-CG 4.47Å; Y57-T90 HydrophobicContact CD2-CG2 4.23Å; Y57-T90 HydrophobicContact CE2-CG2 3.91Å
58	V	98.2	Very high	97.8	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.5	169	-175.9	0	0	0	0	108.1	I84 T85 T90 I93 F194	V58-I84 HydrophobicContact CG1-CB 4.07Å; V58-I84 HydrophobicContact CG1-CD1 3.75Å; V58-I84 HydrophobicContact CG1-CG1 4.44Å; V58-I84 HydrophobicContact CG1-CG2 4.37Å; V58-T85 WeakPolarHBondContact CA-O 3.45Å; V58-T90 HydrophobicContact CG2-CG2 3.98Å; V58-I93 HydrophobicContact CG1-CG2 4.29Å; V58-F194 HydrophobicContact CB-CE1 4.18Å; V58-F194 HydrophobicContact CB-CZ 4.34Å; V58-F194 HydrophobicContact CG1-CE1 4.06Å; V58-F194 HydrophobicContact CG1-CZ 3.71Å
59	I	98.3	Very high	97.9	Very high	65 Å²	65	39.1 Å²	39.1	33%	0.333	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.6	-171.7	-54.2	-57.4	0	0	0	109.9	E56 I84 T85 F199	E56-I59 WeakPolarHBondContact O-CD1 3.18Å; I59-I84 CarbonylContact O-C 3.58Å; I59-I84 VanDerWaalsContact O-CA 3.29Å; I59-I84 WeakPolarHBondContact O-CA 3.21Å; I59-T85 PolarHBondContact N-O 2.95Å; I59-T85 PolarHBondContact O-N 3.08Å; I59-F199 HydrophobicContact CD1-CD1 4.19Å; I59-F199 HydrophobicContact CD1-CE1 3.78Å
60	P	98.5	Very high	98	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.8	170.5	33.7	-35.8	0	0	0	111.7	Y63 V82 E83 F194 F199 A201	P60-Y63 HydrophobicContact CB-CE2 3.78Å; P60-Y63 HydrophobicContact CG-CE2 4.36Å; P60-V82 HydrophobicContact CB-CG2 3.85Å; P60-E83 CarbonylContact C-O 3.49Å; P60-E83 WeakPolarHBondContact CA-O 3.23Å; P60-F194 HydrophobicContact CB-CD2 3.73Å; P60-F194 HydrophobicContact CB-CE2 4.17Å; P60-F194 HydrophobicContact CB-CG 4.48Å; P60-F194 HydrophobicContact CG-CB 3.99Å; P60-F194 HydrophobicContact CG-CD2 3.73Å; P60-F194 HydrophobicContact CG-CE2 4.5Å; P60-F194 HydrophobicContact CG-CG 3.99Å; P60-F199 HydrophobicContact CG-CB 3.86Å; P60-F199 HydrophobicContact CG-CD1 4.37Å; P60-F199 HydrophobicContact CG-CG 4.46Å; P60-A201 HydrophobicContact CB-CB 4.42Å
61	V	98.4	Very high	98.1	Very high	71 Å²	71	36.4 Å²	36.4	43%	0.43	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-46.9	-179.2	-179.2	0	0	0	0	111	E83 T85 S202	V61-E83 HydrophobicContact CB-CB 4.46Å; V61-E83 PolarHBondContact N-O 3.14Å; V61-T85 HydrophobicContact CG2-CG2 4.33Å; V61-S202 PolarHBondContact O-N 3.24Å; V61-S202 VanDerWaalsContact O-N 3.13Å; V61-S202 PolarHBondContact O-OG 3.49Å
62	H	98.8	Very high	98.1	Very high	23 Å²	23	35.7 Å²	35.7	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143	-177.4	-175.4	65.2	0	0	0	111.2	D64 V82 E83 S202 S204	H62-D64 IonicContact CD2-OD2 3.64Å; H62-D64 IonicContact NE2-OD1 3.52Å; H62-V82 CarbonylContact O-C 3.47Å; H62-V82 WeakPolarHBondContact O-CA 3.39Å; H62-E83 HydrophobicContact CB-CB 4.12Å; H62-E83 HydrophobicContact CB-CG 4.17Å; H62-E83 PolarHBondContact O-N 3Å; H62-S202 CarbonylContact C-O 3.59Å; H62-S202 WeakPolarHBondContact CA-O 3.27Å; H62-S202 PolarHBondContact ND1-O 3.04Å; H62-S202 PolarHBondContact ND1-OG 3.09Å; H62-S204 PolarHBondContact CE1-OG 3.24Å; H62-S204 PolarHBondContact NE2-OG 3.2Å; H62-S204 VanDerWaalsContact NE2-OG 3.1Å
63	Y	98.9	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125	172.6	-73.2	-92.6	0	0	0	110.5	P60 L65 T80 K81 V82 C193 F194 A201 S202 F203 S204	P60-Y63 HydrophobicContact CB-CE2 3.78Å; P60-Y63 HydrophobicContact CG-CE2 4.36Å; Y63-L65 HydrophobicContact CD1-CD2 4.2Å; Y63-T80 HydrophobicContact CD1-CG2 3.96Å; Y63-T80 HydrophobicContact CE1-CG2 4.36Å; Y63-K81 CarbonylContact C-O 3.58Å; Y63-K81 WeakPolarHBondContact CA-O 3.48Å; Y63-V82 HydrophobicContact CD1-CB 3.69Å; Y63-V82 HydrophobicContact CD1-CG2 3.72Å; Y63-V82 HydrophobicContact CD2-CG2 4.29Å; Y63-V82 HydrophobicContact CE1-CB 3.6Å; Y63-V82 HydrophobicContact CE1-CG1 4.43Å; Y63-V82 HydrophobicContact CE1-CG2 3.37Å; Y63-V82 HydrophobicContact CE2-CG2 3.99Å; Y63-V82 HydrophobicContact CG-CB 4.43Å; Y63-V82 HydrophobicContact CG-CG2 4.17Å; Y63-C193 HydrophobicContact CE1-CB 3.93Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.48Å; Y63-F194 PolarHBondContact OH-N 2.73Å; Y63-F194 VanDerWaalsContact OH-N 3.1Å; Y63-A201 HydrophobicContact CD2-CB 3.58Å; Y63-A201 HydrophobicContact CE2-CB 3.58Å; Y63-S202 PolarHBondContact N-O 3.44Å; Y63-F203 HydrophobicContact CD1-CE1 4.42Å; Y63-F203 AromaticContact CD2-CD1 3.85Å; Y63-F203 HydrophobicContact CD2-CD1 3.85Å; Y63-F203 AromaticContact CD2-CE1 3.33Å; Y63-F203 HydrophobicContact CD2-CE1 3.33Å; Y63-F203 AromaticContact CD2-CZ 3.74Å; Y63-F203 HydrophobicContact CD2-CZ 3.74Å; Y63-F203 AromaticContact CE2-CE1 3.88Å; Y63-F203 HydrophobicContact CE2-CE1 3.88Å; Y63-F203 HydrophobicContact CE2-CZ 4.03Å; Y63-F203 AromaticContact CG-CD1 3.85Å; Y63-F203 HydrophobicContact CG-CD1 3.85Å; Y63-F203 AromaticContact CG-CE1 3.64Å; Y63-F203 HydrophobicContact CG-CE1 3.64Å; Y63-F203 HydrophobicContact CG-CZ 4.48Å; Y63-F203 CarbonylContact O-C 3.54Å; Y63-F203 WeakPolarHBondContact O-CA 3.41Å; Y63-S204 PolarHBondContact O-N 2.98Å
64	D	98.9	Very high	98.1	Very high	30 Å²	30	36 Å²	36	16%	0.16	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115	158.1	-65.8	-94.2	0	0	0	109.3	H62 T80 K81 S204	H62-D64 IonicContact CD2-OD2 3.64Å; H62-D64 IonicContact NE2-OD1 3.52Å; D64-T80 WeakPolarHBondContact O-CA 3.45Å; D64-K81 HydrophobicContact CB-CB 4.05Å; D64-K81 HydrophobicContact CB-CG 4.46Å; D64-K81 PolarHBondContact N-O 2.65Å; D64-K81 PolarHBondContact O-N 3.32Å; D64-K81 IonicContact OD1-NZ 3.63Å; D64-K81 PolarHBondContact OD1-NZ 3.11Å; D64-K81 WeakPolarHBondContact OD2-CE 3.25Å; D64-K81 IonicContact OD2-NZ 2.73Å; D64-K81 PolarHBondContact OD2-NZ 2.99Å; D64-S204 WeakPolarHBondContact CA-O 3.31Å
65	L	98.9	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.6	178.7	-55.2	-176	0	0	0	109.3	Y63 T80 F191 F203 S204 I205 K206 V247	Y63-L65 HydrophobicContact CD1-CD2 4.2Å; L65-T80 HydrophobicContact CD2-CG2 3.87Å; L65-F191 HydrophobicContact CD1-CD1 4.03Å; L65-F191 HydrophobicContact CD1-CD2 4.11Å; L65-F191 HydrophobicContact CD1-CE1 3.94Å; L65-F191 HydrophobicContact CD1-CE2 4.01Å; L65-F191 HydrophobicContact CD1-CG 4.13Å; L65-F191 HydrophobicContact CD1-CZ 3.93Å; L65-F191 HydrophobicContact CD2-CB 4.33Å; L65-F191 HydrophobicContact CD2-CD2 3.85Å; L65-F191 HydrophobicContact CD2-CE2 4.36Å; L65-F191 HydrophobicContact CD2-CG 4.09Å; L65-F203 HydrophobicContact CD1-CD1 3.99Å; L65-S204 PolarHBondContact N-O 3.06Å; L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CG1 4.39Å; L65-I205 CarbonylContact O-C 3.24Å; L65-K206 PolarHBondContact O-N 2.89Å; L65-V247 HydrophobicContact CD1-CG1 4.24Å
66	L	98.9	Very high	98.2	Very high	32 Å²	32	37.1 Å²	37.1	17%	0.168	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.4	166.7	173.5	65.1	0	0	0	108.5	G78 T79 K206 R208 E233	L66-G78 CarbonylContact O-C 3.59Å; L66-G78 WeakPolarHBondContact O-CA 3.28Å; L66-T79 PolarHBondContact N-O 3.14Å; L66-T79 PolarHBondContact O-N 3.18Å; L66-K206 WeakPolarHBondContact CA-O 3.43Å; L66-K206 HydrophobicContact CD1-CB 3.82Å; L66-R208 HydrophobicContact CD1-CG 4.13Å; L66-E233 HydrophobicContact CD1-CG 4.33Å
67	I	98.8	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.4	176.7	-53.7	-63.9	0	0	0	109.5	Y151 F162 K206 I207 R208 F249	I67-Y151 VanDerWaalsContact CD1-OH 3.26Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.44Å; I67-F162 HydrophobicContact CG2-CE1 3.87Å; I67-F162 HydrophobicContact CG2-CZ 4.46Å; I67-K206 PolarHBondContact N-O 2.81Å; I67-I207 HydrophobicContact CB-CD1 3.78Å; I67-I207 HydrophobicContact CG1-CD1 4.2Å; I67-I207 CarbonylContact O-C 3.57Å; I67-I207 WeakPolarHBondContact O-CA 3.24Å; I67-R208 PolarHBondContact O-N 3.28Å; I67-F249 HydrophobicContact CD1-CZ 4.43Å; I67-F249 HydrophobicContact CG1-CE1 4.33Å; I67-F249 HydrophobicContact CG1-CE2 4.29Å; I67-F249 HydrophobicContact CG1-CZ 3.95Å; I67-F249 HydrophobicContact CG2-CE2 4.21Å
68	H	98.5	Very high	98.3	Very high	44 Å²	44	33.8 Å²	33.8	20%	0.204	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	102	173.4	177.6	-160	0	0	0	108.7	F76 W77 R208	H68-F76 CarbonylContact O-C 3.56Å; H68-F76 VanDerWaalsContact O-CA 3.22Å; H68-F76 WeakPolarHBondContact O-CA 3.29Å; H68-W77 PolarHBondContact N-O 3.31Å; H68-W77 AromaticContact ND1-CE3 3.67Å; H68-W77 PolarHBondContact O-N 2.6Å; H68-R208 HydrophobicContact CB-CB 3.87Å
69	A	97.8	Very high	98.3	Very high	7 Å²	7	35.2 Å²	35.2	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	140.1	178.4	0	0	0	0	0	110.9	L71 F76 F162 I251	A69-L71 HydrophobicContact CB-CD1 4.11Å; A69-F76 HydrophobicContact CB-CB 4.11Å; A69-F162 HydrophobicContact CB-CE1 3.71Å; A69-F162 HydrophobicContact CB-CZ 3.74Å; A69-I251 HydrophobicContact CB-CD1 3.6Å
70	N	97.8	Very high	98.3	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.214	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.3	170.6	-173	-44.7	0	0	0	108.9	T72 T73 L74 T75	N70-T72 PolarHBondContact O-N 2.75Å; N70-T72 WeakPolarHBondContact OD1-CA 3.31Å; N70-T72 VanDerWaalsContact OD1-CB 3.27Å; N70-T72 WeakPolarHBondContact OD1-CB 3.37Å; N70-T72 PolarHBondContact OD1-N 2.68Å; N70-T73 WeakPolarHBondContact CB-OG1 3.27Å; N70-T73 VanDerWaalsContact CG-OG1 3.28Å; N70-T73 PolarHBondContact OD1-N 2.94Å; N70-T73 PolarHBondContact OD1-OG1 3.35Å; N70-L74 WeakPolarHBondContact O-CA 3.46Å; N70-L74 PolarHBondContact O-N 2.94Å; N70-T75 PolarHBondContact N-O 2.93Å; N70-T75 PolarHBondContact O-N 2.71Å
71	L	97.5	Very high	98.4	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.2	-176.8	-80.5	65.7	0	0	0	112.8	A69 L74 I176 A178 I251	A69-L71 HydrophobicContact CB-CD1 4.11Å; L71-L74 WeakPolarHBondContact O-CD2 3.49Å; L71-I176 HydrophobicContact CB-CG2 4.35Å; L71-I176 HydrophobicContact CD2-CG2 4.46Å; L71-I176 WeakPolarHBondContact CD2-O 3.29Å; L71-I176 HydrophobicContact CG-CG2 4.4Å; L71-A178 HydrophobicContact CD1-CB 4.31Å; L71-A178 HydrophobicContact CG-CB 4.46Å; L71-I251 HydrophobicContact CD1-CB 4.3Å; L71-I251 HydrophobicContact CD1-CD1 4.49Å; L71-I251 HydrophobicContact CD1-CG2 3.91Å; L71-I251 HydrophobicContact CD2-CG2 4.16Å
72	T	96.3	Very high	98.4	Very high	102 Å²	102	31.4 Å²	31.4	63%	0.626	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-46.4	174.9	-52.7	0	0	0	0	111.1	N70	N70-T72 PolarHBondContact O-N 2.75Å; N70-T72 WeakPolarHBondContact OD1-CA 3.31Å; N70-T72 VanDerWaalsContact OD1-CB 3.27Å; N70-T72 WeakPolarHBondContact OD1-CB 3.37Å; N70-T72 PolarHBondContact OD1-N 2.68Å
73	T	97.6	Very high	98.4	Very high	82 Å²	82	34 Å²	34	50%	0.503	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-11.1	178.6	57.5	0	0	0	0	113.4	N70 T75	N70-T73 WeakPolarHBondContact CB-OG1 3.27Å; N70-T73 VanDerWaalsContact CG-OG1 3.28Å; N70-T73 PolarHBondContact OD1-N 2.94Å; N70-T73 PolarHBondContact OD1-OG1 3.35Å; T73-T75 VanDerWaalsContact C-N 3.26Å; T73-T75 PolarHBondContact O-N 3.23Å; T73-T75 PolarHBondContact OG1-OG1 2.84Å
74	L	97.9	Very high	98.3	Very high	40 Å²	40	34.1 Å²	34.1	21%	0.209	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	34.7	-176.8	-52.3	177.8	0	0	0	113.3	N70 L71 L155 K164 I176	N70-L74 WeakPolarHBondContact O-CA 3.46Å; N70-L74 PolarHBondContact O-N 2.94Å; L71-L74 WeakPolarHBondContact O-CD2 3.49Å; L74-L155 HydrophobicContact CD2-CD1 4.15Å; L74-L155 PolarHBondContact O-N 3.31Å; L74-K164 HydrophobicContact CD1-CD 3.72Å; L74-K164 HydrophobicContact CD2-CD 3.59Å; L74-K164 HydrophobicContact CD2-CG 4.1Å; L74-K164 HydrophobicContact CG-CD 4.29Å; L74-I176 HydrophobicContact CD2-CG2 4.26Å
75	T	98.4	Very high	98.2	Very high	33 Å²	33	34.7 Å²	34.7	20%	0.202	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.6	178.6	58.5	0	0	0	0	110.4	N70 T73	N70-T75 PolarHBondContact N-O 2.93Å; N70-T75 PolarHBondContact O-N 2.71Å; T73-T75 VanDerWaalsContact C-N 3.26Å; T73-T75 PolarHBondContact O-N 3.23Å; T73-T75 PolarHBondContact OG1-OG1 2.84Å
76	F	98.7	Very high	98.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.3	171.3	70.5	-84.3	0	0	0	112.4	H68 A69 L100 Y151 A152 G153 N154 L155 F162 A190	H68-F76 CarbonylContact O-C 3.56Å; H68-F76 VanDerWaalsContact O-CA 3.22Å; H68-F76 WeakPolarHBondContact O-CA 3.29Å; A69-F76 HydrophobicContact CB-CB 4.11Å; F76-L100 HydrophobicContact CE2-CD2 4.09Å; F76-L100 HydrophobicContact CZ-CD2 3.68Å; F76-Y151 AromaticContact CE2-CE2 3.99Å; F76-Y151 HydrophobicContact CE2-CE2 3.99Å; F76-A152 CarbonylContact O-C 3.54Å; F76-A152 WeakPolarHBondContact O-CA 3.19Å; F76-G153 VanDerWaalsContact CD1-O 3.3Å; F76-G153 WeakPolarHBondContact CD1-O 3.27Å; F76-G153 PolarHBondContact N-O 3.35Å; F76-G153 PolarHBondContact O-N 2.92Å; F76-N154 WeakPolarHBondContact CE1-O 3.14Å; F76-L155 HydrophobicContact CD1-CD2 4.07Å; F76-F162 HydrophobicContact CB-CD1 4.3Å; F76-F162 HydrophobicContact CB-CE1 4Å; F76-F162 AromaticContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CE1 4.3Å; F76-F162 HydrophobicContact CD2-CD1 4.1Å; F76-F162 HydrophobicContact CD2-CE1 4.45Å; F76-F162 HydrophobicContact CE1-CD1 4.06Å; F76-F162 HydrophobicContact CE2-CD1 4.33Å; F76-F162 AromaticContact CG-CD1 3.81Å; F76-F162 HydrophobicContact CG-CD1 3.81Å; F76-F162 HydrophobicContact CG-CE1 4.02Å; F76-F162 HydrophobicContact CZ-CD1 4.32Å; F76-A190 WeakPolarHBondContact CE2-O 3.43Å
77	W	98.7	Very high	98	Very high	123 Å²	123	36.6 Å²	36.6	47%	0.466	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.3	170.2	-60.8	-80.8	0	0	0	109.6	H68	H68-W77 PolarHBondContact N-O 3.31Å; H68-W77 AromaticContact ND1-CE3 3.67Å; H68-W77 PolarHBondContact O-N 2.6Å
78	G	98.6	Very high	97.9	Very high	4 Å²	4	41.9 Å²	41.9	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.4	178.1	0	0	0	0	0	113	L66 Y151	L66-G78 CarbonylContact O-C 3.59Å; L66-G78 WeakPolarHBondContact O-CA 3.28Å; G78-Y151 VanDerWaalsContact C-CE1 3.47Å; G78-Y151 VanDerWaalsContact CA-CZ 3.46Å; G78-Y151 PolarHBondContact N-O 3.15Å; G78-Y151 PolarHBondContact O-N 3.01Å
79	T	98.8	Very high	97.8	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.202	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	115.8	164.3	-60.9	0	0	0	0	108.2	L66 V148 I149 H150	L66-T79 PolarHBondContact N-O 3.14Å; L66-T79 PolarHBondContact O-N 3.18Å; T79-V148 HydrophobicContact CG2-CG1 4.18Å; T79-I149 WeakPolarHBondContact CA-O 3.3Å; T79-H150 PolarHBondContact OG1-ND1 3.45Å
80	T	98.8	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124	175.4	-66	0	0	0	0	108.4	Y63 D64 L65 V82 V148 I149 Y151	Y63-T80 HydrophobicContact CD1-CG2 3.96Å; Y63-T80 HydrophobicContact CE1-CG2 4.36Å; D64-T80 WeakPolarHBondContact O-CA 3.45Å; L65-T80 HydrophobicContact CD2-CG2 3.87Å; T80-V82 HydrophobicContact CG2-CB 4.47Å; T80-V148 CarbonylContact O-C 3.54Å; T80-V148 WeakPolarHBondContact O-CA 3.3Å; T80-I149 PolarHBondContact N-O 2.93Å; T80-I149 PolarHBondContact O-N 3.29Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.49Å
81	K	98.8	Very high	97.7	Very high	58 Å²	58	45.4 Å²	45.4	25%	0.252	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.5	161.8	-50.2	177.9	-84	126.8	0	107.3	Y63 D64 T146 V147 V148	Y63-K81 CarbonylContact C-O 3.58Å; Y63-K81 WeakPolarHBondContact CA-O 3.48Å; D64-K81 HydrophobicContact CB-CB 4.05Å; D64-K81 HydrophobicContact CB-CG 4.46Å; D64-K81 PolarHBondContact N-O 2.65Å; D64-K81 PolarHBondContact O-N 3.32Å; D64-K81 IonicContact OD1-NZ 3.63Å; D64-K81 PolarHBondContact OD1-NZ 3.11Å; D64-K81 WeakPolarHBondContact OD2-CE 3.25Å; D64-K81 IonicContact OD2-NZ 2.73Å; D64-K81 PolarHBondContact OD2-NZ 2.99Å; K81-T146 HydrophobicContact CB-CG2 3.87Å; K81-V147 CarbonylContact C-O 3.52Å; K81-V147 VanDerWaalsContact CA-O 3.28Å; K81-V147 WeakPolarHBondContact CA-O 3.38Å; K81-V148 HydrophobicContact CB-CG2 4.39Å; K81-V148 HydrophobicContact CD-CG2 4.48Å; K81-V148 HydrophobicContact CG-CB 4.49Å; K81-V148 HydrophobicContact CG-CG1 4.11Å; K81-V148 HydrophobicContact CG-CG2 3.97Å
82	V	98.6	Very high	97.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.9	176.5	59.5	0	0	0	0	109.8	P60 H62 Y63 T80 I84 T146 V147 F194	P60-V82 HydrophobicContact CB-CG2 3.85Å; H62-V82 CarbonylContact O-C 3.47Å; H62-V82 WeakPolarHBondContact O-CA 3.39Å; Y63-V82 HydrophobicContact CD1-CB 3.69Å; Y63-V82 HydrophobicContact CD1-CG2 3.72Å; Y63-V82 HydrophobicContact CD2-CG2 4.29Å; Y63-V82 HydrophobicContact CE1-CB 3.6Å; Y63-V82 HydrophobicContact CE1-CG1 4.43Å; Y63-V82 HydrophobicContact CE1-CG2 3.37Å; Y63-V82 HydrophobicContact CE2-CG2 3.99Å; Y63-V82 HydrophobicContact CG-CB 4.43Å; Y63-V82 HydrophobicContact CG-CG2 4.17Å; T80-V82 HydrophobicContact CG2-CB 4.47Å; V82-I84 HydrophobicContact CG1-CG2 4.19Å; V82-I84 HydrophobicContact CG2-CG2 3.86Å; V82-T146 CarbonylContact O-C 3.52Å; V82-T146 WeakPolarHBondContact O-CA 3.42Å; V82-V147 HydrophobicContact CG1-CB 3.71Å; V82-V147 HydrophobicContact CG1-CG1 4.45Å; V82-V147 HydrophobicContact CG1-CG2 4.33Å; V82-V147 PolarHBondContact N-O 3.22Å; V82-V147 PolarHBondContact O-N 2.97Å; V82-F194 HydrophobicContact CG2-CE2 4.47Å
83	E	98.4	Very high	97.8	Very high	78 Å²	78	41.3 Å²	41.3	36%	0.364	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.2	169.6	-62.7	-176.4	-175.7	0	0	109	P60 V61 H62 Y145	P60-E83 CarbonylContact C-O 3.49Å; P60-E83 WeakPolarHBondContact CA-O 3.23Å; V61-E83 HydrophobicContact CB-CB 4.46Å; V61-E83 PolarHBondContact N-O 3.14Å; H62-E83 HydrophobicContact CB-CB 4.12Å; H62-E83 HydrophobicContact CB-CG 4.17Å; H62-E83 PolarHBondContact O-N 3Å; E83-Y145 CarbonylContact C-O 3.27Å; E83-Y145 VanDerWaalsContact CA-O 3.32Å; E83-Y145 WeakPolarHBondContact CA-O 3.3Å
84	I	98.3	Very high	97.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157	-176.9	63.1	168.8	0	0	0	111	V58 I59 V82 I93 L139 P144 Y145 V147 F194	V58-I84 HydrophobicContact CG1-CB 4.07Å; V58-I84 HydrophobicContact CG1-CD1 3.75Å; V58-I84 HydrophobicContact CG1-CG1 4.44Å; V58-I84 HydrophobicContact CG1-CG2 4.37Å; I59-I84 CarbonylContact O-C 3.58Å; I59-I84 VanDerWaalsContact O-CA 3.29Å; I59-I84 WeakPolarHBondContact O-CA 3.21Å; V82-I84 HydrophobicContact CG1-CG2 4.19Å; V82-I84 HydrophobicContact CG2-CG2 3.86Å; I84-I93 HydrophobicContact CD1-CD1 3.6Å; I84-I93 HydrophobicContact CD1-CG1 4.07Å; I84-I93 HydrophobicContact CD1-CG2 4.49Å; I84-L139 HydrophobicContact CD1-CD2 4Å; I84-P144 WeakPolarHBondContact O-CA 3.33Å; I84-Y145 PolarHBondContact N-O 3.38Å; I84-Y145 PolarHBondContact O-N 2.97Å; I84-V147 HydrophobicContact CD1-CG2 3.58Å; I84-V147 HydrophobicContact CG1-CG2 4.16Å; I84-F194 HydrophobicContact CG2-CE2 3.81Å; I84-F194 HydrophobicContact CG2-CZ 4.19Å
85	T	97.2	Very high	97.9	Very high	43 Å²	43	35.7 Å²	35.7	26%	0.264	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.3	166.8	56.2	0	0	0	0	109.4	V58 I59 V61	V58-T85 WeakPolarHBondContact CA-O 3.45Å; I59-T85 PolarHBondContact N-O 2.95Å; I59-T85 PolarHBondContact O-N 3.08Å; V61-T85 HydrophobicContact CG2-CG2 4.33Å
86	A	97	Very high	97.9	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.1	174.8	0	0	0	0	0	109.9	Y57 T90 L139 V141 G142	Y57-A86 CarbonylContact O-C 3.15Å; Y57-A86 WeakPolarHBondContact O-CA 3.19Å; A86-T90 HydrophobicContact CB-CG2 4.49Å; A86-L139 HydrophobicContact CB-CB 4.26Å; A86-V141 CarbonylContact O-C 3.43Å; A86-V141 WeakPolarHBondContact O-CA 3.27Å; A86-G142 PolarHBondContact O-N 3.24Å
87	S	96.1	Very high	97.9	Very high	70 Å²	70	34.7 Å²	34.7	49%	0.49	19%	0.189	S	C	.	.	S	Bend	trans	-89.6	-14.3	173.3	67.3	0	0	0	0	112.7	Y57 V141	Y57-S87 WeakPolarHBondContact CA-OG 3.42Å; Y57-S87 WeakPolarHBondContact CB-OG 3.41Å; Y57-S87 PolarHBondContact O-N 2.9Å; Y57-S87 PolarHBondContact O-OG 2.67Å; S87-V141 WeakPolarHBondContact O-CG1 3.47Å
88	Q	95.6	Very high	97.9	Very high	110 Å²	110	30.7 Å²	30.7	51%	0.514	18%	0.175	S	C	.	.	S	Bend	trans	-134.4	147.6	175.2	-60.8	-179.8	18.2	0	0	109.7	Y57 T90	Y57-Q88 HydrophobicContact CD2-CB 4.46Å; Y57-Q88 HydrophobicContact CG-CB 4.26Å; Y57-Q88 HydrophobicContact CG-CG 4.47Å; Q88-T90 PolarHBondContact O-N 2.88Å
89	P	96.2	Very high	97.8	Very high	99 Å²	99	37.5 Å²	37.5	64%	0.643	21%	0.206	S	C	*	.			trans	-65.3	122.6	177.7	27.5	-32.6	0	0	0	109.8	L139 V141	P89-L139 WeakPolarHBondContact CA-O 3.41Å; P89-V141 HydrophobicContact CB-CG2 4.41Å
90	T	97.2	Very high	97.8	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.092	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.8	-178.6	-178.8	0	0	0	0	110.5	Y57 V58 A86 Q88 T92 L139	Y57-T90 HydrophobicContact CD2-CG2 4.23Å; Y57-T90 HydrophobicContact CE2-CG2 3.91Å; V58-T90 HydrophobicContact CG2-CG2 3.98Å; A86-T90 HydrophobicContact CB-CG2 4.49Å; Q88-T90 PolarHBondContact O-N 2.88Å; T90-T92 PolarHBondContact OG1-N 2.8Å; T90-T92 PolarHBondContact OG1-O 2.93Å; T90-L139 WeakPolarHBondContact O-CB 3.18Å; T90-L139 WeakPolarHBondContact O-CD1 3.31Å; T90-L139 PolarHBondContact O-N 3.37Å
91	S	96.6	Very high	97.8	Very high	51 Å²	51	43.6 Å²	43.6	36%	0.357	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	3	168.5	57	0	0	0	0	112.5	A135	S91-A135 PolarHBondContact O-N 2.73Å
92	T	97.8	Very high	97.7	Very high	23 Å²	23	42 Å²	42	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.1	-174.7	-60	0	0	0	0	110.4	P48 T90 I94 A132 L133 L134	P48-T92 HydrophobicContact CB-CG2 4.17Å; P48-T92 HydrophobicContact CG-CG2 3.69Å; T90-T92 PolarHBondContact OG1-N 2.8Å; T90-T92 PolarHBondContact OG1-O 2.93Å; T92-I94 HydrophobicContact CG2-CD1 3.44Å; T92-I94 VanDerWaalsContact CG2-CD1 3.44Å; T92-I94 HydrophobicContact CG2-CG1 4.15Å; T92-A132 HydrophobicContact CG2-CB 4.16Å; T92-L133 WeakPolarHBondContact CA-O 3.36Å; T92-L134 HydrophobicContact CG2-CD2 3.92Å; T92-L134 WeakPolarHBondContact OG1-CD2 3.17Å
93	I	98.6	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.5	173	-58.3	157.5	0	0	0	107.6	V58 I84 L95 L107 A132 L133 L139 V147 F194	V58-I93 HydrophobicContact CG1-CG2 4.29Å; I84-I93 HydrophobicContact CD1-CD1 3.6Å; I84-I93 HydrophobicContact CD1-CG1 4.07Å; I84-I93 HydrophobicContact CD1-CG2 4.49Å; I93-L95 HydrophobicContact CG2-CD2 4.34Å; I93-L107 HydrophobicContact CD1-CD1 4.13Å; I93-A132 CarbonylContact O-C 3.54Å; I93-A132 WeakPolarHBondContact O-CA 3.45Å; I93-L133 HydrophobicContact CB-CB 4.25Å; I93-L133 PolarHBondContact N-O 3.05Å; I93-L133 PolarHBondContact O-N 2.77Å; I93-L139 HydrophobicContact CD1-CD2 4.08Å; I93-L139 HydrophobicContact CG1-CD2 4.28Å; I93-V147 HydrophobicContact CD1-CG2 3.72Å; I93-F194 HydrophobicContact CG2-CZ 3.88Å
94	I	98.7	Very high	97.6	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.2	177.1	-48.7	-63.6	0	0	0	108.4	F47 P48 W49 L54 P55 T92 Q130 I131 A132 F194	F47-I94 HydrophobicContact CZ-CD1 4.4Å; P48-I94 HydrophobicContact CG-CD1 4.03Å; W49-I94 HydrophobicContact CB-CD1 3.84Å; W49-I94 HydrophobicContact CB-CG1 3.89Å; W49-I94 HydrophobicContact CB-CG2 4.36Å; W49-I94 HydrophobicContact CG-CG1 4.16Å; W49-I94 HydrophobicContact CG-CG2 4.31Å; L54-I94 HydrophobicContact CD2-CB 4.5Å; L54-I94 HydrophobicContact CD2-CG2 3.84Å; P55-I94 HydrophobicContact CG-CB 3.87Å; P55-I94 HydrophobicContact CG-CG1 3.79Å; T92-I94 HydrophobicContact CG2-CD1 3.44Å; T92-I94 VanDerWaalsContact CG2-CD1 3.44Å; T92-I94 HydrophobicContact CG2-CG1 4.15Å; I94-Q130 HydrophobicContact CG2-CB 4.34Å; I94-Q130 HydrophobicContact CG2-CG 4.25Å; I94-I131 WeakPolarHBondContact CA-O 3.31Å; I94-A132 HydrophobicContact CD1-CB 3.48Å; I94-A132 VanDerWaalsContact CD1-CB 3.48Å; I94-F194 VanDerWaalsContact O-CE1 3.31Å; I94-F194 WeakPolarHBondContact O-CE1 3.38Å
95	L	98.7	Very high	97.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	167.5	175.7	62.1	85.9	0	0	0	110.8	I93 Q130 I131 L133 I149 P192 F194	I93-L95 HydrophobicContact CG2-CD2 4.34Å; L95-Q130 CarbonylContact O-C 3.51Å; L95-Q130 WeakPolarHBondContact O-CA 3.38Å; L95-I131 HydrophobicContact CD1-CD1 3.68Å; L95-I131 HydrophobicContact CD1-CG1 3.54Å; L95-I131 HydrophobicContact CG-CD1 4.41Å; L95-I131 HydrophobicContact CG-CG1 4.07Å; L95-I131 PolarHBondContact N-O 3.03Å; L95-I131 VanDerWaalsContact N-O 3.1Å; L95-I131 PolarHBondContact O-N 3.3Å; L95-L133 HydrophobicContact CD2-CD1 4.03Å; L95-I149 HydrophobicContact CD2-CD1 4.14Å; L95-P192 HydrophobicContact CD1-CB 3.54Å; L95-F194 HydrophobicContact CB-CD1 4.38Å; L95-F194 HydrophobicContact CB-CE1 4.32Å; L95-F194 HydrophobicContact CB-CG 4.48Å; L95-F194 HydrophobicContact CB-CZ 4.38Å; L95-F194 HydrophobicContact CD2-CE2 4.48Å
96	H	98.9	Very high	97.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140.9	-178.8	-64.5	114.8	0	0	0	112.3	L54 E129 R188 P192 C193 D195 E196	L54-H96 WeakPolarHBondContact CD1-ND1 3.27Å; L54-H96 VanDerWaalsContact CG-CE1 3.41Å; L54-H96 WeakPolarHBondContact CG-CE1 3.44Å; H96-E129 CarbonylContact C-O 3.54Å; H96-E129 VanDerWaalsContact CA-O 3.23Å; H96-E129 WeakPolarHBondContact CA-O 3.29Å; H96-R188 HydrophobicContact CB-CB 3.63Å; H96-R188 HydrophobicContact CB-CG 4.43Å; H96-R188 PolarHBondContact CD2-NH1 3.49Å; H96-R188 PolarHBondContact CE1-NH2 2.93Å; H96-R188 VanDerWaalsContact CE1-NH2 3.34Å; H96-R188 VanDerWaalsContact CG-CZ 3.45Å; H96-R188 PolarHBondContact ND1-NH2 2.92Å; H96-R188 PolarHBondContact NE2-NH2 2.83Å; H96-P192 CarbonylContact O-C 3.47Å; H96-P192 VanDerWaalsContact O-CA 3.28Å; H96-P192 WeakPolarHBondContact O-CA 3.44Å; H96-C193 WeakPolarHBondContact CA-O 3.12Å; H96-C193 WeakPolarHBondContact CB-O 3.22Å; H96-C193 PolarHBondContact N-O 2.6Å; H96-C193 PolarHBondContact O-N 3.36Å; H96-D195 HydrophobicContact CB-CB 3.81Å; H96-D195 PolarHBondContact ND1-N 2.71Å; H96-E196 IonicContact CE1-OE1 3.62Å
97	S	98.6	Very high	97.7	Very high	11 Å²	11	48 Å²	48	8%	0.077	26%	0.256	C	S	.	.			trans	-159.3	128.4	170.9	178.8	0	0	0	0	108.9	E129	S97-E129 PolarHBondContact N-O 3.41Å; S97-E129 CarbonylContact O-C 3.53Å
98	H	98.1	Very high	97.6	Very high	40 Å²	40	48 Å²	48	19%	0.185	25%	0.246	C	C	.	.			trans	-135.8	127.1	-178.4	-172.8	63.7	0	0	0	111	L100 E129 R188 M189	H98-L100 PolarHBondContact O-N 3.32Å; H98-E129 HydrophobicContact CB-CB 4.3Å; H98-E129 HydrophobicContact CB-CG 4.42Å; H98-R188 HydrophobicContact CB-CG 4.08Å; H98-R188 PolarHBondContact N-O 2.86Å; H98-M189 HydrophobicContact CB-CG 3.97Å; H98-M189 WeakPolarHBondContact O-CA 3.32Å
99	H	97.2	Very high	97.3	Very high	147 Å²	147	46.6 Å²	46.6	68%	0.681	24%	0.238	S	C	*	.	S	Bend	trans	56.1	27.9	-178.6	-60.4	165	0	0	0	115.3
100	L	98.4	Very high	96.4	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.063	23%	0.233	C	C	.	.			trans	-110	131.5	172.7	-61.9	179.2	0	0	0	110.2	F76 H98 I102 Y151 M189 P192	F76-L100 HydrophobicContact CE2-CD2 4.09Å; F76-L100 HydrophobicContact CZ-CD2 3.68Å; H98-L100 PolarHBondContact O-N 3.32Å; L100-I102 HydrophobicContact CB-CD1 4.24Å; L100-I102 PolarHBondContact O-N 3.04Å; L100-Y151 HydrophobicContact CB-CD2 4.41Å; L100-Y151 HydrophobicContact CD1-CD2 3.98Å; L100-Y151 HydrophobicContact CD1-CE2 4.11Å; L100-Y151 HydrophobicContact CD2-CD2 4.02Å; L100-Y151 HydrophobicContact CD2-CE2 4.29Å; L100-Y151 HydrophobicContact CG-CD2 4.38Å; L100-M189 WeakPolarHBondContact CD2-O 3.22Å; L100-P192 HydrophobicContact CD1-CG 4Å
101	Q	98.3	Very high	95.2	Very high	148 Å²	148	47.6 Å²	47.6	69%	0.692	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.4	174.5	-174.8	179.5	-1	0	0	109.6	S103 Y151 A152	Q101-S103 PolarHBondContact O-N 2.98Å; Q101-Y151 CarbonylContact O-C 3.55Å; Q101-Y151 WeakPolarHBondContact O-CA 3.17Å; Q101-Y151 WeakPolarHBondContact O-CB 3.49Å; Q101-A152 PolarHBondContact N-O 3.47Å; Q101-A152 PolarHBondContact O-N 3.45Å
102	I	98.3	Very high	93.8	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.128	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.4	178.8	-48.4	-53.9	0	0	0	109.8	L100 V122 I131 I149 Y151 P192	L100-I102 HydrophobicContact CB-CD1 4.24Å; L100-I102 PolarHBondContact O-N 3.04Å; I102-V122 HydrophobicContact CB-CG1 4.46Å; I102-V122 HydrophobicContact CG2-CG1 4.39Å; I102-V122 HydrophobicContact CG2-CG2 4.12Å; I102-I131 HydrophobicContact CG1-CD1 4.37Å; I102-I149 HydrophobicContact CD1-CG2 4.04Å; I102-I149 HydrophobicContact CG2-CG2 3.69Å; I102-Y151 HydrophobicContact CD1-CG 4.49Å; I102-P192 HydrophobicContact CD1-CG 3.76Å
103	S	97.3	Very high	91.9	Very high	92 Å²	92	57.1 Å²	57.1	64%	0.643	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	-36.5	-178.2	62.2	0	0	0	0	113	Q101 H150	Q101-S103 PolarHBondContact O-N 2.98Å; S103-H150 PolarHBondContact N-O 2.79Å; S103-H150 WeakPolarHBondContact OG-CB 3.27Å; S103-H150 PolarHBondContact OG-O 2.83Å
104	R	97.7	Very high	90.8	Very high	143 Å²	143	67.6 Å²	67.6	54%	0.54	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	138.5	-177.7	-176.9	177.3	179.2	-171.6	-2.6	110.4	T106 H150	R104-T106 HydrophobicContact CG-CG2 4.41Å; R104-H150 HydrophobicContact CB-CB 4.32Å; R104-H150 PolarHBondContact N-O 2.84Å; R104-H150 PolarHBondContact O-N 2.64Å
105	A	98.3	Very high	90	Very high	6 Å²	6	71.4 Å²	71.4	5%	0.05	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.7	170.9	0	0	0	0	0	110.5	L120 V122 L133 V148	A105-L120 HydrophobicContact CB-CB 3.92Å; A105-L120 HydrophobicContact CB-CD1 4.46Å; A105-L120 PolarHBondContact O-N 3.07Å; A105-V122 HydrophobicContact CB-CG2 3.69Å; A105-L133 HydrophobicContact CB-CD2 4.02Å; A105-V148 CarbonylContact C-O 3.53Å; A105-V148 VanDerWaalsContact CA-O 3.26Å; A105-V148 WeakPolarHBondContact CA-O 3.47Å
106	T	98.1	Very high	89.5	Confident	4 Å²	4	73.4 Å²	73.4	3%	0.025	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.5	176.3	59.7	0	0	0	0	111.2	R104 E117 E118 V147 V148	R104-T106 HydrophobicContact CG-CG2 4.41Å; T106-E117 HydrophobicContact CG2-CG 4.04Å; T106-E117 PolarHBondContact OG1-OE1 2.97Å; T106-E118 CarbonylContact C-O 3.6Å; T106-E118 VanDerWaalsContact CA-O 3.26Å; T106-E118 WeakPolarHBondContact CA-O 3.31Å; T106-V147 WeakPolarHBondContact O-CA 3.15Å; T106-V148 PolarHBondContact N-O 3.37Å; T106-V148 PolarHBondContact O-N 3.02Å
107	L	97.4	Very high	89.2	Confident	6 Å²	6	77 Å²	77	3%	0.031	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.4	173	-171	67.4	0	0	0	108.9	I93 E117 E118 L120 A135 L139 Y145 V147	I93-L107 HydrophobicContact CD1-CD1 4.13Å; L107-E117 WeakPolarHBondContact O-CA 3.4Å; L107-E118 PolarHBondContact N-O 3.27Å; L107-E118 PolarHBondContact O-N 2.9Å; L107-L120 HydrophobicContact CB-CD1 3.96Å; L107-L120 HydrophobicContact CB-CD2 3.93Å; L107-L120 HydrophobicContact CB-CG 3.95Å; L107-A135 HydrophobicContact CD2-CB 4.13Å; L107-L139 HydrophobicContact CD2-CD1 3.87Å; L107-L139 HydrophobicContact CD2-CG 4.28Å; L107-Y145 HydrophobicContact CD1-CD1 4.2Å; L107-Y145 HydrophobicContact CD1-CG 4.36Å; L107-Y145 HydrophobicContact CD2-CD1 4.03Å; L107-Y145 HydrophobicContact CD2-CE1 4.42Å; L107-Y145 HydrophobicContact CG-CD1 4.05Å; L107-V147 HydrophobicContact CD1-CG2 3.85Å
108	R	94.4	Very high	89	Confident	71 Å²	71	78 Å²	78	27%	0.268	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.6	174.8	-61.7	177.4	178.6	-177.2	-1.4	110.5	L115 S116 E117 Y145 T146 V148	R108-L115 HydrophobicContact CB-CD1 4.49Å; R108-S116 VanDerWaalsContact CA-O 3.27Å; R108-S116 WeakPolarHBondContact CA-O 3.28Å; R108-E117 HydrophobicContact CG-CB 4.27Å; R108-E117 HydrophobicContact CG-CG 4Å; R108-E117 IonicContact CZ-OE1 3.25Å; R108-E117 VanDerWaalsContact CZ-OE1 3.3Å; R108-E117 IonicContact NE-OE1 2.93Å; R108-E117 PolarHBondContact NE-OE1 3.12Å; R108-E117 IonicContact NH2-OE1 3.64Å; R108-E117 PolarHBondContact NH2-OE1 3.14Å; R108-E117 IonicContact NH2-OE2 2.81Å; R108-Y145 WeakPolarHBondContact O-CA 3.14Å; R108-T146 PolarHBondContact N-O 3.1Å; R108-T146 PolarHBondContact O-N 2.77Å; R108-V148 HydrophobicContact CG-CG2 4.35Å
109	K	89	Confident	88.9	Confident	79 Å²	79	80.9 Å²	80.9	34%	0.343	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143	170.7	92.3	-159.1	175.5	-159.7	0	110.6	L115 S116 E118 Y145	K109-L115 WeakPolarHBondContact O-CA 3.39Å; K109-S116 PolarHBondContact N-O 3.13Å; K109-S116 PolarHBondContact O-N 2.87Å; K109-E118 IonicContact NZ-OE1 3.48Å; K109-E118 PolarHBondContact NZ-OE1 3.11Å; K109-Y145 HydrophobicContact CB-CD1 3.92Å; K109-Y145 HydrophobicContact CB-CE1 3.84Å
110	G	77.9	Confident	88.9	Confident	54 Å²	54	74.5 Å²	74.5	56%	0.557	40%	0.403	S	S	*	.	S	Bend	trans	78	-176.6	-178.6	0	0	0	0	0	113.7
111	A	70.6	Confident	88.9	Confident	82 Å²	82	79.7 Å²	79.7	68%	0.678	43%	0.427	S	S	*	.	S	Bend	trans	-138.3	154.2	179.5	0	0	0	0	0	110.7	R114	A111-R114 PolarHBondContact O-N 2.88Å
112	G	68.1	Low	88.8	Confident	66 Å²	66	74.7 Å²	74.7	68%	0.68	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	63.1	-132.2	177.4	0	0	0	0	0	113.3	R114 L115	G112-R114 PolarHBondContact O-N 3.05Å; G112-L115 VanDerWaalsContact O-CB 3.31Å; G112-L115 WeakPolarHBondContact O-CB 3.39Å; G112-L115 PolarHBondContact O-N 2.8Å
113	E	57.9	Low	88.7	Confident	207 Å²	207	74.4 Å²	74.4	97%	0.967	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-67.3	-14.2	-177	-64	-179.1	165.7	0	0	114.3
114	R	75.2	Confident	88.7	Confident	221 Å²	221	73.6 Å²	73.6	83%	0.834	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-101.5	14.3	178.1	-61.7	-179.3	-176.3	172.6	1.3	113	A111 G112 S116	A111-R114 PolarHBondContact O-N 2.88Å; G112-R114 PolarHBondContact O-N 3.05Å; R114-S116 PolarHBondContact O-N 2.83Å
115	L	82.8	Confident	88.6	Confident	83 Å²	83	67.9 Å²	67.9	44%	0.435	37%	0.371	S	S	.	.			trans	-69.8	112.7	178.5	-168.4	114.9	0	0	0	110	R108 K109 G112	R108-L115 HydrophobicContact CB-CD1 4.49Å; K109-L115 WeakPolarHBondContact O-CA 3.39Å; G112-L115 VanDerWaalsContact O-CB 3.31Å; G112-L115 WeakPolarHBondContact O-CB 3.39Å; G112-L115 PolarHBondContact O-N 2.8Å
116	S	87.1	Confident	88.4	Confident	42 Å²	42	72.1 Å²	72.1	29%	0.294	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.8	167.2	-166.6	0	0	0	0	108.7	R108 K109 R114	R108-S116 VanDerWaalsContact CA-O 3.27Å; R108-S116 WeakPolarHBondContact CA-O 3.28Å; K109-S116 PolarHBondContact N-O 3.13Å; K109-S116 PolarHBondContact O-N 2.87Å; R114-S116 PolarHBondContact O-N 2.83Å
117	E	92.8	Very high	88.2	Confident	77 Å²	77	83.2 Å²	83.2	36%	0.36	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.7	174	-172.3	168.2	-135.1	0	0	109.3	T106 L107 R108	T106-E117 HydrophobicContact CG2-CG 4.04Å; T106-E117 PolarHBondContact OG1-OE1 2.97Å; L107-E117 WeakPolarHBondContact O-CA 3.4Å; R108-E117 HydrophobicContact CG-CB 4.27Å; R108-E117 HydrophobicContact CG-CG 4Å; R108-E117 IonicContact CZ-OE1 3.25Å; R108-E117 VanDerWaalsContact CZ-OE1 3.3Å; R108-E117 IonicContact NE-OE1 2.93Å; R108-E117 PolarHBondContact NE-OE1 3.12Å; R108-E117 IonicContact NH2-OE1 3.64Å; R108-E117 PolarHBondContact NH2-OE1 3.14Å; R108-E117 IonicContact NH2-OE2 2.81Å
118	E	94.2	Very high	88.1	Confident	32 Å²	32	84 Å²	84	15%	0.15	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.8	-175.1	-66.4	168.2	-156.6	0	0	109.1	T106 L107 K109 P136	T106-E118 CarbonylContact C-O 3.6Å; T106-E118 VanDerWaalsContact CA-O 3.26Å; T106-E118 WeakPolarHBondContact CA-O 3.31Å; L107-E118 PolarHBondContact N-O 3.27Å; L107-E118 PolarHBondContact O-N 2.9Å; K109-E118 IonicContact NZ-OE1 3.48Å; K109-E118 PolarHBondContact NZ-OE1 3.11Å; E118-P136 HydrophobicContact CB-CG 4.24Å; E118-P136 WeakPolarHBondContact OE2-CG 3.49Å
119	P	96.8	Very high	88.3	Confident	102 Å²	102	82.5 Å²	82.5	66%	0.662	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.4	177.8	29.7	-33.7	0	0	0	110.8
120	L	97.4	Very high	88.8	Confident	12 Å²	12	78.8 Å²	78.8	6%	0.063	42%	0.422	C	S	.	.			trans	-104	129.8	173.5	-67.4	170.1	0	0	0	109.7	A105 L107 L133 L134 A135 V147	A105-L120 HydrophobicContact CB-CB 3.92Å; A105-L120 HydrophobicContact CB-CD1 4.46Å; A105-L120 PolarHBondContact O-N 3.07Å; L107-L120 HydrophobicContact CB-CD1 3.96Å; L107-L120 HydrophobicContact CB-CD2 3.93Å; L107-L120 HydrophobicContact CB-CG 3.95Å; L120-L133 HydrophobicContact CB-CB 4.23Å; L120-L133 HydrophobicContact CD1-CB 3.97Å; L120-L133 HydrophobicContact CD1-CD1 4.05Å; L120-L133 HydrophobicContact CD2-CB 4.48Å; L120-L133 HydrophobicContact CG-CB 4.46Å; L120-L134 WeakPolarHBondContact CA-O 3.36Å; L120-L134 WeakPolarHBondContact CD2-O 3.2Å; L120-A135 HydrophobicContact CD2-CB 3.8Å; L120-V147 HydrophobicContact CD1-CG1 3.96Å
121	Q	97.1	Very high	89.7	Confident	122 Å²	122	76.4 Å²	76.4	57%	0.57	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	129.8	168.8	179.9	-179.7	-1	0	0	109.1	L133 L134	Q121-L133 WeakPolarHBondContact O-CA 3.42Å; Q121-L134 HydrophobicContact CB-CB 4.18Å; Q121-L134 HydrophobicContact CB-CD1 4.45Å; Q121-L134 HydrophobicContact CG-CD1 4.44Å; Q121-L134 PolarHBondContact N-O 3.47Å; Q121-L134 VanDerWaalsContact N-O 3.11Å; Q121-L134 PolarHBondContact O-N 2.55Å
122	V	97.4	Very high	91.1	Very high	43 Å²	43	72.5 Å²	72.5	26%	0.261	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	-179.2	-171.6	0	0	0	0	109.7	I102 A105 E124 I131 A132 L133	I102-V122 HydrophobicContact CB-CG1 4.46Å; I102-V122 HydrophobicContact CG2-CG1 4.39Å; I102-V122 HydrophobicContact CG2-CG2 4.12Å; A105-V122 HydrophobicContact CB-CG2 3.69Å; V122-E124 HydrophobicContact CG1-CG 4.49Å; V122-I131 HydrophobicContact CG1-CB 4.45Å; V122-A132 WeakPolarHBondContact CA-O 3.49Å; V122-L133 HydrophobicContact CB-CD2 4.34Å; V122-L133 HydrophobicContact CG1-CD2 4.14Å; V122-L133 HydrophobicContact CG2-CD2 3.79Å
123	L	96.4	Very high	92.5	Very high	18 Å²	18	69.3 Å²	69.3	9%	0.094	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.1	166.9	-55.6	179.2	0	0	0	109.1	F47 I131 A132 L134	F47-L123 HydrophobicContact CD2-CB 4.18Å; F47-L123 HydrophobicContact CE2-CB 4.26Å; L123-I131 CarbonylContact O-C 3.4Å; L123-I131 WeakPolarHBondContact O-CA 3.41Å; L123-I131 WeakPolarHBondContact O-CB 3.37Å; L123-A132 HydrophobicContact CB-CB 4.26Å; L123-A132 PolarHBondContact N-O 3.2Å; L123-A132 PolarHBondContact O-N 3.45Å; L123-L134 HydrophobicContact CD1-CD1 3.84Å; L123-L134 HydrophobicContact CD1-CG 4.38Å; L123-L134 HydrophobicContact CG-CD1 4.21Å
124	E	95.4	Very high	94.4	Very high	76 Å²	76	61.4 Å²	61.4	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.8	-178.1	-54.4	-178.3	170.5	0	0	110.9	V122 I131	V122-E124 HydrophobicContact CG1-CG 4.49Å; E124-I131 HydrophobicContact CB-CG2 4.22Å; E124-I131 HydrophobicContact CG-CG2 3.88Å
125	H	96.3	Very high	95.4	Very high	23 Å²	23	51.4 Å²	51.4	11%	0.106	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	83.5	172.9	-168.9	-76.9	0	0	0	110.5	P39 F47 R127 Q128 E129 Q130	P39-H125 WeakPolarHBondContact CB-NE2 3.36Å; F47-H125 HydrophobicContact CB-CB 4.46Å; F47-H125 HydrophobicContact CD1-CB 3.71Å; F47-H125 HydrophobicContact CD2-CB 3.72Å; F47-H125 HydrophobicContact CE1-CB 3.78Å; F47-H125 HydrophobicContact CE2-CB 3.76Å; F47-H125 HydrophobicContact CG-CB 3.72Å; F47-H125 HydrophobicContact CZ-CB 3.81Å; H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 2.95Å; H125-R127 VanDerWaalsContact O-N 3.15Å; H125-Q128 PolarHBondContact CE1-OE1 2.92Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.33Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.48Å; H125-Q128 PolarHBondContact ND1-N 2.85Å; H125-Q128 VanDerWaalsContact ND1-N 3.17Å; H125-Q128 PolarHBondContact ND1-OE1 2.89Å; H125-Q128 PolarHBondContact O-N 2.92Å; H125-Q128 VanDerWaalsContact O-N 3.07Å; H125-E129 PolarHBondContact O-N 3.32Å; H125-E129 VanDerWaalsContact O-N 3.15Å; H125-Q130 PolarHBondContact N-O 3.4Å; H125-Q130 PolarHBondContact O-N 2.79Å
126	P	94.7	Very high	95.9	Very high	94 Å²	94	51.7 Å²	51.7	61%	0.61	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33.1	-171.6	-27.7	35.6	0	0	0	114.7	Q128 E129	P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 3Å; P126-E129 PolarHBondContact O-N 2.9Å; P126-E129 VanDerWaalsContact O-N 3.08Å
127	R	93.8	Very high	96.2	Very high	238 Å²	238	55.5 Å²	55.5	90%	0.898	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.7	-27	179.2	-85.6	-172.4	158	-147.3	-6	114.2	H125	H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 2.95Å; H125-R127 VanDerWaalsContact O-N 3.15Å
128	Q	95.5	Very high	96.3	Very high	23 Å²	23	55.8 Å²	55.8	11%	0.107	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-101.1	-0.5	174.7	-73.7	170	-41.4	0	0	111.1	N50 K51 I52 H125 P126 Q130	N50-Q128 VanDerWaalsContact C-NE2 3.31Å; N50-Q128 PolarHBondContact O-NE2 2.88Å; K51-Q128 PolarHBondContact O-NE2 2.7Å; I52-Q128 HydrophobicContact CG1-CG 4.49Å; H125-Q128 PolarHBondContact CE1-OE1 2.92Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.33Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.48Å; H125-Q128 PolarHBondContact ND1-N 2.85Å; H125-Q128 VanDerWaalsContact ND1-N 3.17Å; H125-Q128 PolarHBondContact ND1-OE1 2.89Å; H125-Q128 PolarHBondContact O-N 2.92Å; H125-Q128 VanDerWaalsContact O-N 3.07Å; P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 3Å; Q128-Q130 HydrophobicContact CB-CB 4.27Å; Q128-Q130 HydrophobicContact CB-CG 4.14Å; Q128-Q130 WeakPolarHBondContact O-CG 3.36Å; Q128-Q130 PolarHBondContact O-N 3.03Å
129	E	98.1	Very high	96.3	Very high	38 Å²	38	54.4 Å²	54.4	18%	0.178	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.9	-174.7	-54.1	172.6	-176.2	0	0	112.6	H96 S97 H98 H125 P126 R188	H96-E129 CarbonylContact C-O 3.54Å; H96-E129 VanDerWaalsContact CA-O 3.23Å; H96-E129 WeakPolarHBondContact CA-O 3.29Å; S97-E129 PolarHBondContact N-O 3.41Å; S97-E129 CarbonylContact O-C 3.53Å; H98-E129 HydrophobicContact CB-CB 4.3Å; H98-E129 HydrophobicContact CB-CG 4.42Å; H125-E129 PolarHBondContact O-N 3.32Å; H125-E129 VanDerWaalsContact O-N 3.15Å; P126-E129 PolarHBondContact O-N 2.9Å; P126-E129 VanDerWaalsContact O-N 3.08Å; E129-R188 WeakPolarHBondContact OE2-CD 3.41Å; E129-R188 IonicContact OE2-CZ 3.37Å; E129-R188 IonicContact OE2-NE 2.64Å; E129-R188 IonicContact OE2-NH1 2.68Å; E129-R188 PolarHBondContact OE2-NH1 2.79Å
130	Q	98.6	Very high	96.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.6	-174.4	-75.5	168.6	9	0	0	111.8	F47 K51 I52 L54 I94 L95 H125 Q128	F47-Q130 HydrophobicContact CE1-CB 4.11Å; F47-Q130 HydrophobicContact CZ-CB 3.94Å; K51-Q130 PolarHBondContact O-NE2 2.88Å; I52-Q130 PolarHBondContact O-NE2 3.06Å; L54-Q130 HydrophobicContact CD2-CG 4.16Å; I94-Q130 HydrophobicContact CG2-CB 4.34Å; I94-Q130 HydrophobicContact CG2-CG 4.25Å; L95-Q130 CarbonylContact O-C 3.51Å; L95-Q130 WeakPolarHBondContact O-CA 3.38Å; H125-Q130 PolarHBondContact N-O 3.4Å; H125-Q130 PolarHBondContact O-N 2.79Å; Q128-Q130 HydrophobicContact CB-CB 4.27Å; Q128-Q130 HydrophobicContact CB-CG 4.14Å; Q128-Q130 WeakPolarHBondContact O-CG 3.36Å; Q128-Q130 PolarHBondContact O-N 3.03Å
131	I	98.4	Very high	96.1	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.9	165.9	57.4	163.8	0	0	0	110	I94 L95 I102 V122 L123 E124 L133 P192	I94-I131 WeakPolarHBondContact CA-O 3.31Å; L95-I131 HydrophobicContact CD1-CD1 3.68Å; L95-I131 HydrophobicContact CD1-CG1 3.54Å; L95-I131 HydrophobicContact CG-CD1 4.41Å; L95-I131 HydrophobicContact CG-CG1 4.07Å; L95-I131 PolarHBondContact N-O 3.03Å; L95-I131 VanDerWaalsContact N-O 3.1Å; L95-I131 PolarHBondContact O-N 3.3Å; I102-I131 HydrophobicContact CG1-CD1 4.37Å; V122-I131 HydrophobicContact CG1-CB 4.45Å; L123-I131 CarbonylContact O-C 3.4Å; L123-I131 WeakPolarHBondContact O-CA 3.41Å; L123-I131 WeakPolarHBondContact O-CB 3.37Å; E124-I131 HydrophobicContact CB-CG2 4.22Å; E124-I131 HydrophobicContact CG-CG2 3.88Å; I131-L133 HydrophobicContact CD1-CD2 4.2Å; I131-P192 HydrophobicContact CD1-CB 4.32Å
132	A	98.4	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.7	173.9	0	0	0	0	0	109.3	F47 P48 T92 I93 I94 V122 L123 L134	F47-A132 HydrophobicContact CD2-CB 4.24Å; F47-A132 HydrophobicContact CE2-CB 3.51Å; F47-A132 HydrophobicContact CZ-CB 3.8Å; P48-A132 HydrophobicContact CG-CB 3.6Å; T92-A132 HydrophobicContact CG2-CB 4.16Å; I93-A132 CarbonylContact O-C 3.54Å; I93-A132 WeakPolarHBondContact O-CA 3.45Å; I94-A132 HydrophobicContact CD1-CB 3.48Å; I94-A132 VanDerWaalsContact CD1-CB 3.48Å; V122-A132 WeakPolarHBondContact CA-O 3.49Å; L123-A132 HydrophobicContact CB-CB 4.26Å; L123-A132 PolarHBondContact N-O 3.2Å; L123-A132 PolarHBondContact O-N 3.45Å; A132-L134 HydrophobicContact CB-CD2 4.48Å
133	L	98.3	Very high	95.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.9	175.5	-51.3	177.2	0	0	0	108.5	T92 I93 L95 A105 L120 Q121 V122 I131 V147 I149	T92-L133 WeakPolarHBondContact CA-O 3.36Å; I93-L133 HydrophobicContact CB-CB 4.25Å; I93-L133 PolarHBondContact N-O 3.05Å; I93-L133 PolarHBondContact O-N 2.77Å; L95-L133 HydrophobicContact CD2-CD1 4.03Å; A105-L133 HydrophobicContact CB-CD2 4.02Å; L120-L133 HydrophobicContact CB-CB 4.23Å; L120-L133 HydrophobicContact CD1-CB 3.97Å; L120-L133 HydrophobicContact CD1-CD1 4.05Å; L120-L133 HydrophobicContact CD2-CB 4.48Å; L120-L133 HydrophobicContact CG-CB 4.46Å; Q121-L133 WeakPolarHBondContact O-CA 3.42Å; V122-L133 HydrophobicContact CB-CD2 4.34Å; V122-L133 HydrophobicContact CG1-CD2 4.14Å; V122-L133 HydrophobicContact CG2-CD2 3.79Å; I131-L133 HydrophobicContact CD1-CD2 4.2Å; L133-V147 HydrophobicContact CD1-CG1 3.43Å; L133-V147 VanDerWaalsContact CD1-CG1 3.43Å; L133-I149 HydrophobicContact CD1-CD1 4.03Å
134	L	97.7	Very high	95.6	Very high	41 Å²	41	60 Å²	60	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.2	-177.9	-46.8	-179.3	0	0	0	109.9	P48 T92 L120 Q121 L123 A132	P48-L134 HydrophobicContact CG-CD2 4.27Å; T92-L134 HydrophobicContact CG2-CD2 3.92Å; T92-L134 WeakPolarHBondContact OG1-CD2 3.17Å; L120-L134 WeakPolarHBondContact CA-O 3.36Å; L120-L134 WeakPolarHBondContact CD2-O 3.2Å; Q121-L134 HydrophobicContact CB-CB 4.18Å; Q121-L134 HydrophobicContact CB-CD1 4.45Å; Q121-L134 HydrophobicContact CG-CD1 4.44Å; Q121-L134 PolarHBondContact N-O 3.47Å; Q121-L134 VanDerWaalsContact N-O 3.11Å; Q121-L134 PolarHBondContact O-N 2.55Å; L123-L134 HydrophobicContact CD1-CD1 3.84Å; L123-L134 HydrophobicContact CD1-CG 4.38Å; L123-L134 HydrophobicContact CG-CD1 4.21Å; A132-L134 HydrophobicContact CB-CD2 4.48Å
135	A	96.2	Very high	95.6	Very high	11 Å²	11	57 Å²	57	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.5	173.3	0	0	0	0	0	111	S91 L107 L120 E137 L139	S91-A135 PolarHBondContact O-N 2.73Å; L107-A135 HydrophobicContact CD2-CB 4.13Å; L120-A135 HydrophobicContact CD2-CB 3.8Å; A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 WeakPolarHBondContact CB-O 3.46Å; A135-L139 HydrophobicContact CB-CD1 3.89Å
136	P	93.4	Very high	95.7	Very high	89 Å²	89	57.6 Å²	57.6	58%	0.578	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-33.7	178	28.1	-34.2	0	0	0	112.3	E118	E118-P136 HydrophobicContact CB-CG 4.24Å; E118-P136 WeakPolarHBondContact OE2-CG 3.49Å
137	E	92.6	Very high	95.9	Very high	122 Å²	122	53.1 Å²	53.1	57%	0.57	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	149	177.1	-65.7	-176	179.8	0	0	110.7	A135 L139	A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 WeakPolarHBondContact CB-O 3.46Å; E137-L139 PolarHBondContact O-N 3.22Å
138	P	94.9	Very high	96.1	Very high	83 Å²	83	41.9 Å²	41.9	54%	0.539	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.5	173.2	-22	33.4	0	0	0	112.2
139	L	94.4	Very high	96.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.2	170.6	-79.2	69.2	0	0	0	109.6	I84 A86 P89 T90 I93 L107 A135 E137 Y145	I84-L139 HydrophobicContact CD1-CD2 4Å; A86-L139 HydrophobicContact CB-CB 4.26Å; P89-L139 WeakPolarHBondContact CA-O 3.41Å; T90-L139 WeakPolarHBondContact O-CB 3.18Å; T90-L139 WeakPolarHBondContact O-CD1 3.31Å; T90-L139 PolarHBondContact O-N 3.37Å; I93-L139 HydrophobicContact CD1-CD2 4.08Å; I93-L139 HydrophobicContact CG1-CD2 4.28Å; L107-L139 HydrophobicContact CD2-CD1 3.87Å; L107-L139 HydrophobicContact CD2-CG 4.28Å; A135-L139 HydrophobicContact CB-CD1 3.89Å; E137-L139 PolarHBondContact O-N 3.22Å; L139-Y145 HydrophobicContact CB-CD2 4.48Å; L139-Y145 HydrophobicContact CB-CE2 3.96Å; L139-Y145 HydrophobicContact CD2-CD2 3.95Å; L139-Y145 HydrophobicContact CD2-CE2 4.27Å; L139-Y145 HydrophobicContact CD2-CG 4.19Å; L139-Y145 HydrophobicContact CG-CD1 4.45Å; L139-Y145 HydrophobicContact CG-CD2 4.13Å; L139-Y145 HydrophobicContact CG-CE1 4.31Å; L139-Y145 HydrophobicContact CG-CE2 3.99Å; L139-Y145 HydrophobicContact CG-CG 4.36Å
140	L	93.6	Very high	96.3	Very high	105 Å²	105	41.7 Å²	41.7	55%	0.55	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-81.2	137.2	176.8	-62.7	175	0	0	0	110.1	G142 L143 Y145	L140-G142 PolarHBondContact O-N 3Å; L140-L143 HydrophobicContact CB-CD1 3.75Å; L140-L143 HydrophobicContact CB-CG 4.07Å; L140-L143 HydrophobicContact CD1-CD1 3.69Å; L140-L143 HydrophobicContact CG-CD1 4.34Å; L140-L143 PolarHBondContact O-N 2.75Å; L140-Y145 PolarHBondContact N-OH 2.95Å
141	V	96.1	Very high	96.3	Very high	80 Å²	80	41.9 Å²	41.9	49%	0.485	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	134.8	-177.7	178.1	0	0	0	0	111.1	A86 S87 P89 L143	A86-V141 CarbonylContact O-C 3.43Å; A86-V141 WeakPolarHBondContact O-CA 3.27Å; S87-V141 WeakPolarHBondContact O-CG1 3.47Å; P89-V141 HydrophobicContact CB-CG2 4.41Å; V141-L143 PolarHBondContact O-N 3.23Å
142	G	92.3	Very high	96.3	Very high	55 Å²	55	42.8 Å²	42.8	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	-3.8	175	0	0	0	0	0	115.6	A86 L140	A86-G142 PolarHBondContact O-N 3.24Å; L140-G142 PolarHBondContact O-N 3Å
143	L	93.3	Very high	96.3	Very high	83 Å²	83	43.2 Å²	43.2	44%	0.435	26%	0.261	S	S	.	.			trans	-84.5	142.2	174.3	-63	-169.4	0	0	0	111.2	L140 V141 Y145	L140-L143 HydrophobicContact CB-CD1 3.75Å; L140-L143 HydrophobicContact CB-CG 4.07Å; L140-L143 HydrophobicContact CD1-CD1 3.69Å; L140-L143 HydrophobicContact CG-CD1 4.34Å; L140-L143 PolarHBondContact O-N 2.75Å; V141-L143 PolarHBondContact O-N 3.23Å; L143-Y145 HydrophobicContact CB-CE2 3.87Å; L143-Y145 VanDerWaalsContact O-CD2 3.3Å; L143-Y145 WeakPolarHBondContact O-CD2 3.18Å
144	P	95	Very high	96.3	Very high	91 Å²	91	49 Å²	49	59%	0.591	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	133.4	173.4	31.4	-33.3	0	0	0	110.6	I84	I84-P144 WeakPolarHBondContact O-CA 3.33Å
145	Y	96.5	Very high	96.3	Very high	14 Å²	14	47.3 Å²	47.3	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.5	171.3	-66.4	-94.2	0	0	0	109.6	E83 I84 L107 R108 K109 L139 L140 L143	E83-Y145 CarbonylContact C-O 3.27Å; E83-Y145 VanDerWaalsContact CA-O 3.32Å; E83-Y145 WeakPolarHBondContact CA-O 3.3Å; I84-Y145 PolarHBondContact N-O 3.38Å; I84-Y145 PolarHBondContact O-N 2.97Å; L107-Y145 HydrophobicContact CD1-CD1 4.2Å; L107-Y145 HydrophobicContact CD1-CG 4.36Å; L107-Y145 HydrophobicContact CD2-CD1 4.03Å; L107-Y145 HydrophobicContact CD2-CE1 4.42Å; L107-Y145 HydrophobicContact CG-CD1 4.05Å; R108-Y145 WeakPolarHBondContact O-CA 3.14Å; K109-Y145 HydrophobicContact CB-CD1 3.92Å; K109-Y145 HydrophobicContact CB-CE1 3.84Å; L139-Y145 HydrophobicContact CB-CD2 4.48Å; L139-Y145 HydrophobicContact CB-CE2 3.96Å; L139-Y145 HydrophobicContact CD2-CD2 3.95Å; L139-Y145 HydrophobicContact CD2-CE2 4.27Å; L139-Y145 HydrophobicContact CD2-CG 4.19Å; L139-Y145 HydrophobicContact CG-CD1 4.45Å; L139-Y145 HydrophobicContact CG-CD2 4.13Å; L139-Y145 HydrophobicContact CG-CE1 4.31Å; L139-Y145 HydrophobicContact CG-CE2 3.99Å; L139-Y145 HydrophobicContact CG-CG 4.36Å; L140-Y145 PolarHBondContact N-OH 2.95Å; L143-Y145 HydrophobicContact CB-CE2 3.87Å; L143-Y145 VanDerWaalsContact O-CD2 3.3Å; L143-Y145 WeakPolarHBondContact O-CD2 3.18Å
146	T	98	Very high	96.4	Very high	35 Å²	35	47.8 Å²	47.8	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.9	171.3	-49.5	0	0	0	0	109.8	K81 V82 R108 V148	K81-T146 HydrophobicContact CB-CG2 3.87Å; V82-T146 CarbonylContact O-C 3.52Å; V82-T146 WeakPolarHBondContact O-CA 3.42Å; R108-T146 PolarHBondContact N-O 3.1Å; R108-T146 PolarHBondContact O-N 2.77Å; T146-V148 HydrophobicContact CG2-CG2 4.2Å
147	V	98.4	Very high	96.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.8	171.4	-177.3	0	0	0	0	108.1	K81 V82 I84 I93 T106 L107 L120 L133 I149	K81-V147 CarbonylContact C-O 3.52Å; K81-V147 VanDerWaalsContact CA-O 3.28Å; K81-V147 WeakPolarHBondContact CA-O 3.38Å; V82-V147 HydrophobicContact CG1-CB 3.71Å; V82-V147 HydrophobicContact CG1-CG1 4.45Å; V82-V147 HydrophobicContact CG1-CG2 4.33Å; V82-V147 PolarHBondContact N-O 3.22Å; V82-V147 PolarHBondContact O-N 2.97Å; I84-V147 HydrophobicContact CD1-CG2 3.58Å; I84-V147 HydrophobicContact CG1-CG2 4.16Å; I93-V147 HydrophobicContact CD1-CG2 3.72Å; T106-V147 WeakPolarHBondContact O-CA 3.15Å; L107-V147 HydrophobicContact CD1-CG2 3.85Å; L120-V147 HydrophobicContact CD1-CG1 3.96Å; L133-V147 HydrophobicContact CD1-CG1 3.43Å; L133-V147 VanDerWaalsContact CD1-CG1 3.43Å; V147-I149 HydrophobicContact CG1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CG1 3.84Å
148	V	98.6	Very high	96.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124	178	-175.4	0	0	0	0	109.3	T79 T80 K81 A105 T106 R108 T146	T79-V148 HydrophobicContact CG2-CG1 4.18Å; T80-V148 CarbonylContact O-C 3.54Å; T80-V148 WeakPolarHBondContact O-CA 3.3Å; K81-V148 HydrophobicContact CB-CG2 4.39Å; K81-V148 HydrophobicContact CD-CG2 4.48Å; K81-V148 HydrophobicContact CG-CB 4.49Å; K81-V148 HydrophobicContact CG-CG1 4.11Å; K81-V148 HydrophobicContact CG-CG2 3.97Å; A105-V148 CarbonylContact C-O 3.53Å; A105-V148 VanDerWaalsContact CA-O 3.26Å; A105-V148 WeakPolarHBondContact CA-O 3.47Å; T106-V148 PolarHBondContact N-O 3.37Å; T106-V148 PolarHBondContact O-N 3.02Å; R108-V148 HydrophobicContact CG-CG2 4.35Å; T146-V148 HydrophobicContact CG2-CG2 4.2Å
149	I	98.8	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.8	-175.9	-48	175.3	0	0	0	109.1	T79 T80 L95 I102 L133 V147 Y151 P192	T79-I149 WeakPolarHBondContact CA-O 3.3Å; T80-I149 PolarHBondContact N-O 2.93Å; T80-I149 PolarHBondContact O-N 3.29Å; L95-I149 HydrophobicContact CD2-CD1 4.14Å; I102-I149 HydrophobicContact CD1-CG2 4.04Å; I102-I149 HydrophobicContact CG2-CG2 3.69Å; L133-I149 HydrophobicContact CD1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CG1 3.84Å; I149-Y151 HydrophobicContact CG2-CD1 4.39Å; I149-P192 HydrophobicContact CD1-CB 3.94Å; I149-P192 HydrophobicContact CD1-CG 4.41Å; I149-P192 HydrophobicContact CG2-CG 4.14Å
150	H	98.8	Very high	96.6	Very high	57 Å²	57	50 Å²	50	26%	0.264	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.8	173.2	-60.9	-81.1	0	0	0	109.7	T79 S103 R104	T79-H150 PolarHBondContact OG1-ND1 3.45Å; S103-H150 PolarHBondContact N-O 2.79Å; S103-H150 WeakPolarHBondContact OG-CB 3.27Å; S103-H150 PolarHBondContact OG-O 2.83Å; R104-H150 HydrophobicContact CB-CB 4.32Å; R104-H150 PolarHBondContact N-O 2.84Å; R104-H150 PolarHBondContact O-N 2.64Å
151	Y	98.8	Very high	96.8	Very high	5 Å²	5	45 Å²	45	2%	0.02	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.1	-173.4	62.1	-85.9	0	0	0	112.3	I67 F76 G78 T80 L100 Q101 I102 I149 A190 F191 P192	I67-Y151 VanDerWaalsContact CD1-OH 3.26Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.44Å; F76-Y151 AromaticContact CE2-CE2 3.99Å; F76-Y151 HydrophobicContact CE2-CE2 3.99Å; G78-Y151 VanDerWaalsContact C-CE1 3.47Å; G78-Y151 VanDerWaalsContact CA-CZ 3.46Å; G78-Y151 PolarHBondContact N-O 3.15Å; G78-Y151 PolarHBondContact O-N 3.01Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.49Å; L100-Y151 HydrophobicContact CB-CD2 4.41Å; L100-Y151 HydrophobicContact CD1-CD2 3.98Å; L100-Y151 HydrophobicContact CD1-CE2 4.11Å; L100-Y151 HydrophobicContact CD2-CD2 4.02Å; L100-Y151 HydrophobicContact CD2-CE2 4.29Å; L100-Y151 HydrophobicContact CG-CD2 4.38Å; Q101-Y151 CarbonylContact O-C 3.55Å; Q101-Y151 WeakPolarHBondContact O-CA 3.17Å; Q101-Y151 WeakPolarHBondContact O-CB 3.49Å; I102-Y151 HydrophobicContact CD1-CG 4.49Å; I149-Y151 HydrophobicContact CG2-CD1 4.39Å; Y151-A190 WeakPolarHBondContact CE2-O 3.44Å; Y151-A190 PolarHBondContact OH-O 3.28Å; Y151-A190 VanDerWaalsContact OH-O 3.05Å; Y151-F191 HydrophobicContact CE1-CB 4.49Å; Y151-F191 WeakPolarHBondContact OH-CA 3.45Å; Y151-F191 WeakPolarHBondContact OH-CB 3.36Å; Y151-P192 HydrophobicContact CD1-CG 4.11Å; Y151-P192 VanDerWaalsContact CE1-CD 3.5Å; Y151-P192 HydrophobicContact CE1-CG 4.42Å; Y151-P192 HydrophobicContact CG-CG 4.4Å
152	A	98.7	Very high	96.9	Very high	23 Å²	23	41.4 Å²	41.4	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.7	173.1	0	0	0	0	0	110.2	F76 Q101	F76-A152 CarbonylContact O-C 3.54Å; F76-A152 WeakPolarHBondContact O-CA 3.19Å; Q101-A152 PolarHBondContact N-O 3.47Å; Q101-A152 PolarHBondContact O-N 3.45Å
153	G	98.1	Very high	97.2	Very high	10 Å²	10	38.8 Å²	38.8	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.1	174.9	0	0	0	0	0	111.1	F76	F76-G153 VanDerWaalsContact CD1-O 3.3Å; F76-G153 WeakPolarHBondContact CD1-O 3.27Å; F76-G153 PolarHBondContact N-O 3.35Å; F76-G153 PolarHBondContact O-N 2.92Å
154	N	98.3	Very high	97.5	Very high	121 Å²	121	37 Å²	37	65%	0.647	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.2	169.2	-63	-29.1	0	0	0	108.6	F76 S156	F76-N154 WeakPolarHBondContact CE1-O 3.14Å; N154-S156 PolarHBondContact O-N 3.48Å
155	L	98.3	Very high	97.6	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-57.5	131.9	168.7	-67.2	-179.8	0	0	0	108.5	L74 F76 F162 K164 A178	L74-L155 HydrophobicContact CD2-CD1 4.15Å; L74-L155 PolarHBondContact O-N 3.31Å; F76-L155 HydrophobicContact CD1-CD2 4.07Å; L155-F162 WeakPolarHBondContact CA-O 3.35Å; L155-F162 HydrophobicContact CD2-CD1 3.45Å; L155-F162 VanDerWaalsContact CD2-CD1 3.45Å; L155-F162 HydrophobicContact CD2-CD2 4.15Å; L155-F162 HydrophobicContact CD2-CE1 3.45Å; L155-F162 VanDerWaalsContact CD2-CE1 3.45Å; L155-F162 HydrophobicContact CD2-CE2 4.15Å; L155-F162 HydrophobicContact CD2-CG 3.81Å; L155-F162 HydrophobicContact CD2-CZ 3.81Å; L155-K164 HydrophobicContact CB-CB 4.36Å; L155-K164 HydrophobicContact CD1-CB 4.5Å; L155-A178 HydrophobicContact CD1-CB 3.95Å; L155-A178 HydrophobicContact CD2-CB 4.09Å
156	S	97.6	Very high	97.6	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.14	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-64.4	141.8	179.1	-170.4	0	0	0	0	110.6	N154 T158 H160 F162 Y163 K164	N154-S156 PolarHBondContact O-N 3.48Å; S156-T158 VanDerWaalsContact C-N 3.32Å; S156-T158 PolarHBondContact OG-N 3.09Å; S156-T158 VanDerWaalsContact OG-N 3.11Å; S156-T158 PolarHBondContact OG-OG1 2.91Å; S156-H160 WeakPolarHBondContact CB-O 3.38Å; S156-H160 PolarHBondContact OG-O 2.77Å; S156-F162 PolarHBondContact N-O 3.48Å; S156-Y163 WeakPolarHBondContact O-CA 3.22Å; S156-Y163 WeakPolarHBondContact O-CB 3.45Å; S156-K164 PolarHBondContact O-N 2.9Å
157	E	95.4	Very high	97.6	Very high	128 Å²	128	33.3 Å²	33.3	60%	0.598	17%	0.172	S	C	*	.	S	Bend	trans	-91.1	-1.9	169.9	-63.1	-67.9	155.9	0	0	111.5	K164	E157-K164 IonicContact OE1-NZ 2.68Å; E157-K164 PolarHBondContact OE1-NZ 2.91Å; E157-K164 WeakPolarHBondContact OE2-CE 3.37Å; E157-K164 IonicContact OE2-NZ 3.71Å; E157-K164 PolarHBondContact OE2-NZ 2.77Å
158	T	94.9	Very high	97.6	Very high	55 Å²	55	41.4 Å²	41.4	34%	0.337	20%	0.203	S	C	.	.	S	Bend	trans	-90.7	-177.7	170.6	73.2	0	0	0	0	110.5	S156 H160 Y163	S156-T158 VanDerWaalsContact C-N 3.32Å; S156-T158 PolarHBondContact OG-N 3.09Å; S156-T158 VanDerWaalsContact OG-N 3.11Å; S156-T158 PolarHBondContact OG-OG1 2.91Å; T158-H160 PolarHBondContact OG1-CD2 2.68Å; T158-H160 PolarHBondContact OG1-CE1 3.02Å; T158-H160 PolarHBondContact OG1-N 3.28Å; T158-H160 PolarHBondContact OG1-ND1 2.74Å; T158-H160 PolarHBondContact OG1-NE2 3.3Å; T158-H160 PolarHBondContact OG1-O 3.24Å; T158-Y163 WeakPolarHBondContact O-CB 3.5Å
159	F	94	Very high	97.5	Very high	93 Å²	93	42 Å²	42	41%	0.408	21%	0.207	S	C	.	.	S	Bend	trans	-95.7	20.8	178.1	-52.5	-67.2	0	0	0	113.9	Q181 D313 Q315	F159-Q181 WeakPolarHBondContact O-CB 3.48Å; F159-D313 HydrophobicContact CD1-CB 4.35Å; F159-D313 HydrophobicContact CE1-CB 4.04Å; F159-Q315 HydrophobicContact CB-CB 3.43Å; F159-Q315 VanDerWaalsContact CB-CB 3.43Å; F159-Q315 HydrophobicContact CD2-CB 3.91Å; F159-Q315 HydrophobicContact CD2-CG 4.46Å; F159-Q315 HydrophobicContact CG-CB 3.85Å
160	H	95.3	Very high	97.2	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.315	24%	0.239	S	C	.	.	S	Bend	trans	-140.9	163.7	179.5	58.8	-99.9	0	0	0	112.1	S156 T158 Q181 A186 M189	S156-H160 WeakPolarHBondContact CB-O 3.38Å; S156-H160 PolarHBondContact OG-O 2.77Å; T158-H160 PolarHBondContact OG1-CD2 2.68Å; T158-H160 PolarHBondContact OG1-CE1 3.02Å; T158-H160 PolarHBondContact OG1-N 3.28Å; T158-H160 PolarHBondContact OG1-ND1 2.74Å; T158-H160 PolarHBondContact OG1-NE2 3.3Å; T158-H160 PolarHBondContact OG1-O 3.24Å; H160-Q181 WeakPolarHBondContact CA-O 3.32Å; H160-A186 HydrophobicContact CB-CB 4.13Å; H160-M189 VanDerWaalsContact CD2-SD 3.57Å
161	G	97.9	Very high	97.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.1	-148.3	-169.2	0	0	0	0	0	110.4	T180 Q181 F182	G161-T180 WeakPolarHBondContact O-CA 3.34Å; G161-Q181 PolarHBondContact N-O 3.38Å; G161-Q181 PolarHBondContact O-N 3.39Å; G161-F182 WeakPolarHBondContact O-CE1 3.38Å
162	F	98.6	Very high	96.9	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104.3	169.5	-175.7	-148.2	0	0	0	108.6	I67 A69 F76 L155 S156 A178 S179 T180 A190 F249 I251	I67-F162 HydrophobicContact CG2-CE1 3.87Å; I67-F162 HydrophobicContact CG2-CZ 4.46Å; A69-F162 HydrophobicContact CB-CE1 3.71Å; A69-F162 HydrophobicContact CB-CZ 3.74Å; F76-F162 HydrophobicContact CB-CD1 4.3Å; F76-F162 HydrophobicContact CB-CE1 4Å; F76-F162 AromaticContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CE1 4.3Å; F76-F162 HydrophobicContact CD2-CD1 4.1Å; F76-F162 HydrophobicContact CD2-CE1 4.45Å; F76-F162 HydrophobicContact CE1-CD1 4.06Å; F76-F162 HydrophobicContact CE2-CD1 4.33Å; F76-F162 AromaticContact CG-CD1 3.81Å; F76-F162 HydrophobicContact CG-CD1 3.81Å; F76-F162 HydrophobicContact CG-CE1 4.02Å; F76-F162 HydrophobicContact CZ-CD1 4.32Å; L155-F162 WeakPolarHBondContact CA-O 3.35Å; L155-F162 HydrophobicContact CD2-CD1 3.45Å; L155-F162 VanDerWaalsContact CD2-CD1 3.45Å; L155-F162 HydrophobicContact CD2-CD2 4.15Å; L155-F162 HydrophobicContact CD2-CE1 3.45Å; L155-F162 VanDerWaalsContact CD2-CE1 3.45Å; L155-F162 HydrophobicContact CD2-CE2 4.15Å; L155-F162 HydrophobicContact CD2-CG 3.81Å; L155-F162 HydrophobicContact CD2-CZ 3.81Å; S156-F162 PolarHBondContact N-O 3.48Å; F162-A178 HydrophobicContact CD2-CB 4.37Å; F162-A178 HydrophobicContact CE2-CB 3.48Å; F162-A178 VanDerWaalsContact CE2-CB 3.48Å; F162-A178 HydrophobicContact CZ-CB 3.71Å; F162-S179 WeakPolarHBondContact CD2-O 3.37Å; F162-T180 HydrophobicContact CB-CG2 4.35Å; F162-T180 HydrophobicContact CD2-CG2 3.71Å; F162-T180 HydrophobicContact CE2-CG2 4.44Å; F162-T180 HydrophobicContact CG-CG2 4.35Å; F162-A190 HydrophobicContact CB-CB 3.83Å; F162-F249 HydrophobicContact CD1-CE2 4.07Å; F162-F249 HydrophobicContact CD2-CD2 4.21Å; F162-F249 AromaticContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CE1-CE2 4.06Å; F162-F249 AromaticContact CE2-CD2 3.88Å; F162-F249 HydrophobicContact CE2-CD2 3.88Å; F162-F249 AromaticContact CE2-CE2 3.64Å; F162-F249 HydrophobicContact CE2-CE2 3.64Å; F162-F249 AromaticContact CG-CE2 3.88Å; F162-F249 HydrophobicContact CG-CE2 3.88Å; F162-F249 HydrophobicContact CZ-CD2 4.2Å; F162-F249 AromaticContact CZ-CE2 3.86Å; F162-F249 HydrophobicContact CZ-CE2 3.86Å; F162-I251 HydrophobicContact CZ-CD1 4.19Å
163	Y	98.5	Very high	96.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.3	-163.7	69.9	-86.5	0	0	0	112.8	S156 T158 A178 S179 Q181 D313 F314	S156-Y163 WeakPolarHBondContact O-CA 3.22Å; S156-Y163 WeakPolarHBondContact O-CB 3.45Å; T158-Y163 WeakPolarHBondContact O-CB 3.5Å; Y163-A178 CarbonylContact O-C 3.58Å; Y163-A178 VanDerWaalsContact O-CA 3.29Å; Y163-A178 WeakPolarHBondContact O-CA 3.39Å; Y163-S179 WeakPolarHBondContact CD1-O 3.28Å; Y163-S179 WeakPolarHBondContact CE1-O 3.44Å; Y163-S179 PolarHBondContact N-O 2.86Å; Y163-S179 PolarHBondContact O-N 2.88Å; Y163-Q181 HydrophobicContact CD1-CB 4.47Å; Y163-Q181 HydrophobicContact CE1-CB 3.81Å; Y163-D313 WeakPolarHBondContact CE2-O 3.13Å; Y163-D313 PolarHBondContact OH-O 2.85Å; Y163-F314 WeakPolarHBondContact OH-CD2 3.47Å
164	K	97.9	Very high	96.8	Very high	45 Å²	45	63 Å²	63	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.9	175.3	-178.4	-168.4	71.6	-154.9	0	110.1	L74 L155 S156 E157 T166 I176	L74-K164 HydrophobicContact CD1-CD 3.72Å; L74-K164 HydrophobicContact CD2-CD 3.59Å; L74-K164 HydrophobicContact CD2-CG 4.1Å; L74-K164 HydrophobicContact CG-CD 4.29Å; L155-K164 HydrophobicContact CB-CB 4.36Å; L155-K164 HydrophobicContact CD1-CB 4.5Å; S156-K164 PolarHBondContact O-N 2.9Å; E157-K164 IonicContact OE1-NZ 2.68Å; E157-K164 PolarHBondContact OE1-NZ 2.91Å; E157-K164 WeakPolarHBondContact OE2-CE 3.37Å; E157-K164 IonicContact OE2-NZ 3.71Å; E157-K164 PolarHBondContact OE2-NZ 2.77Å; K164-T166 HydrophobicContact CD-CG2 4.42Å; K164-T166 HydrophobicContact CG-CG2 4.43Å; K164-I176 HydrophobicContact CD-CG2 4.2Å; K164-I176 HydrophobicContact CG-CG2 3.72Å
165	S	97.9	Very high	96.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.6	164.9	172.2	0	0	0	0	109.9	L177 D313	S165-L177 PolarHBondContact N-O 3.26Å; S165-L177 PolarHBondContact O-N 3.15Å; S165-L177 VanDerWaalsContact O-O 3.11Å; S165-D313 VanDerWaalsContact CA-OD2 3.32Å; S165-D313 WeakPolarHBondContact CA-OD2 3.39Å; S165-D313 WeakPolarHBondContact CB-OD2 3.44Å; S165-D313 WeakPolarHBondContact OG-CB 3.31Å; S165-D313 PolarHBondContact OG-N 3.49Å; S165-D313 VanDerWaalsContact OG-N 3.15Å; S165-D313 PolarHBondContact OG-OD2 2.98Å
166	T	97.7	Very high	96.7	Very high	45 Å²	45	62.8 Å²	62.8	28%	0.276	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153	-177.3	67	0	0	0	0	112	K164 R175 I176 P312 D313	K164-T166 HydrophobicContact CD-CG2 4.42Å; K164-T166 HydrophobicContact CG-CG2 4.43Å; T166-R175 VanDerWaalsContact CA-O 3.23Å; T166-R175 WeakPolarHBondContact CA-O 3.24Å; T166-R175 WeakPolarHBondContact CB-O 3.34Å; T166-I176 HydrophobicContact CG2-CG1 4.14Å; T166-P312 WeakPolarHBondContact O-CB 3.28Å; T166-D313 PolarHBondContact N-OD2 3.42Å
167	Y	97.8	Very high	96.8	Very high	18 Å²	18	61.8 Å²	61.8	7%	0.071	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	165.2	169.6	69.7	-86.1	0	0	0	110.6	T169 R175 L177 D253 V272 P312	Y167-T169 HydrophobicContact CE2-CG2 4.31Å; Y167-R175 HydrophobicContact CD1-CB 3.88Å; Y167-R175 HydrophobicContact CD2-CB 4.31Å; Y167-R175 HydrophobicContact CE1-CB 3.4Å; Y167-R175 VanDerWaalsContact CE1-CB 3.4Å; Y167-R175 HydrophobicContact CE1-CG 4.26Å; Y167-R175 HydrophobicContact CE2-CB 3.88Å; Y167-R175 HydrophobicContact CE2-CG 4.01Å; Y167-R175 HydrophobicContact CG-CB 4.31Å; Y167-R175 VanDerWaalsContact CZ-CB 3.41Å; Y167-R175 PolarHBondContact N-O 2.87Å; Y167-R175 PolarHBondContact O-N 2.66Å; Y167-L177 HydrophobicContact CD1-CD2 3.85Å; Y167-L177 HydrophobicContact CE1-CD2 4.2Å; Y167-D253 WeakPolarHBondContact CE1-OD1 3.34Å; Y167-D253 PolarHBondContact OH-OD1 3.5Å; Y167-D253 PolarHBondContact OH-OD2 2.85Å; Y167-V272 HydrophobicContact CD1-CG1 3.6Å; Y167-V272 HydrophobicContact CD2-CB 4.07Å; Y167-V272 HydrophobicContact CD2-CG1 3.72Å; Y167-V272 HydrophobicContact CE1-CG1 3.77Å; Y167-V272 HydrophobicContact CE2-CB 3.97Å; Y167-V272 HydrophobicContact CE2-CG1 3.88Å; Y167-V272 HydrophobicContact CG-CB 4.43Å; Y167-V272 HydrophobicContact CG-CG1 3.57Å; Y167-P312 HydrophobicContact CD1-CG 4.34Å; Y167-P312 HydrophobicContact CG-CG 4.47Å
168	R	96.9	Very high	96.9	Very high	171 Å²	171	55.7 Å²	55.7	65%	0.645	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.5	174.7	-69.7	-174.9	175.3	-86.6	0.2	110.6	G172 E173 L174	R168-G172 PolarHBondContact NH1-O 3.07Å; R168-E173 VanDerWaalsContact CA-O 3.29Å; R168-E173 WeakPolarHBondContact CA-O 3.2Å; R168-L174 HydrophobicContact CG-CD1 4.24Å
169	T	96.2	Very high	97.1	Very high	15 Å²	15	53.1 Å²	53.1	9%	0.092	25%	0.25	C	C	.	.			trans	-71.1	168.3	170.8	76.9	0	0	0	0	110.6	Y167 E171 G172 E173 R175 D274	Y167-T169 HydrophobicContact CE2-CG2 4.31Å; T169-E171 WeakPolarHBondContact CB-OE2 3.27Å; T169-E171 PolarHBondContact O-N 2.84Å; T169-E171 PolarHBondContact OG1-N 2.82Å; T169-E171 PolarHBondContact OG1-OE2 2.9Å; T169-G172 WeakPolarHBondContact O-CA 3.4Å; T169-G172 PolarHBondContact O-N 3.5Å; T169-E173 HydrophobicContact CG2-CB 4.1Å; T169-E173 PolarHBondContact N-O 3.49Å; T169-E173 PolarHBondContact OG1-N 2.99Å; T169-R175 HydrophobicContact CG2-CG 3.99Å; T169-D274 WeakPolarHBondContact CA-OD2 3.48Å
170	K	94.3	Very high	97.3	Very high	154 Å²	154	48.7 Å²	48.7	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.8	172.6	-76.7	174	-173.3	129.4	0	113.7	G172 D274	K170-G172 PolarHBondContact O-N 2.88Å; K170-D274 VanDerWaalsContact CD-OD1 3.29Å; K170-D274 WeakPolarHBondContact CD-OD1 3.16Å; K170-D274 VanDerWaalsContact CE-OD1 3.28Å; K170-D274 WeakPolarHBondContact CE-OD1 3.49Å; K170-D274 PolarHBondContact N-OD2 2.8Å; K170-D274 IonicContact NZ-OD1 3.54Å; K170-D274 PolarHBondContact NZ-OD1 3.44Å
171	E	95	Very high	97.5	Very high	156 Å²	156	46 Å²	46	73%	0.729	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.2	177.1	-56	70.3	-149.2	0	0	112.9	T169	T169-E171 WeakPolarHBondContact CB-OE2 3.27Å; T169-E171 PolarHBondContact O-N 2.84Å; T169-E171 PolarHBondContact OG1-N 2.82Å; T169-E171 PolarHBondContact OG1-OE2 2.9Å
172	G	94.9	Very high	97.5	Very high	35 Å²	35	46 Å²	46	36%	0.361	22%	0.218	S	C	.	.			trans	89.8	4.8	177.6	0	0	0	0	0	115.1	R168 T169 K170	R168-G172 PolarHBondContact NH1-O 3.07Å; T169-G172 WeakPolarHBondContact O-CA 3.4Å; T169-G172 PolarHBondContact O-N 3.5Å; K170-G172 PolarHBondContact O-N 2.88Å
173	E	96.8	Very high	97.5	Very high	97 Å²	97	46.9 Å²	46.9	45%	0.453	22%	0.222	S	C	.	.			trans	-65.7	133.8	176.5	-168.2	-164.9	158.8	0	0	110.4	R168 T169 R175	R168-E173 VanDerWaalsContact CA-O 3.29Å; R168-E173 WeakPolarHBondContact CA-O 3.2Å; T169-E173 HydrophobicContact CG2-CB 4.1Å; T169-E173 PolarHBondContact N-O 3.49Å; T169-E173 PolarHBondContact OG1-N 2.99Å; E173-R175 IonicContact OE1-CZ 3.15Å; E173-R175 IonicContact OE1-NE 3.23Å; E173-R175 PolarHBondContact OE1-NE 2.91Å; E173-R175 IonicContact OE1-NH2 3.52Å; E173-R175 IonicContact OE2-CZ 2.7Å; E173-R175 IonicContact OE2-NE 3.97Å; E173-R175 PolarHBondContact OE2-NE 2.98Å; E173-R175 IonicContact OE2-NH2 2.78Å; E173-R175 PolarHBondContact OE2-NH2 3Å
174	L	97.6	Very high	97.4	Very high	92 Å²	92	47.4 Å²	47.4	48%	0.482	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.9	175.5	-175.7	71.1	0	0	0	109.7	R168	R168-L174 HydrophobicContact CG-CD1 4.24Å
175	R	97.8	Very high	97.4	Very high	70 Å²	70	45.8 Å²	45.8	26%	0.264	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.8	173.8	-67.9	-72	177.3	78.4	11.3	110.3	T166 Y167 T169 E173 D253	T166-R175 VanDerWaalsContact CA-O 3.23Å; T166-R175 WeakPolarHBondContact CA-O 3.24Å; T166-R175 WeakPolarHBondContact CB-O 3.34Å; Y167-R175 HydrophobicContact CD1-CB 3.88Å; Y167-R175 HydrophobicContact CD2-CB 4.31Å; Y167-R175 HydrophobicContact CE1-CB 3.4Å; Y167-R175 VanDerWaalsContact CE1-CB 3.4Å; Y167-R175 HydrophobicContact CE1-CG 4.26Å; Y167-R175 HydrophobicContact CE2-CB 3.88Å; Y167-R175 HydrophobicContact CE2-CG 4.01Å; Y167-R175 HydrophobicContact CG-CB 4.31Å; Y167-R175 VanDerWaalsContact CZ-CB 3.41Å; Y167-R175 PolarHBondContact N-O 2.87Å; Y167-R175 PolarHBondContact O-N 2.66Å; T169-R175 HydrophobicContact CG2-CG 3.99Å; E173-R175 IonicContact OE1-CZ 3.15Å; E173-R175 IonicContact OE1-NE 3.23Å; E173-R175 PolarHBondContact OE1-NE 2.91Å; E173-R175 IonicContact OE1-NH2 3.52Å; E173-R175 IonicContact OE2-CZ 2.7Å; E173-R175 IonicContact OE2-NE 3.97Å; E173-R175 PolarHBondContact OE2-NE 2.98Å; E173-R175 IonicContact OE2-NH2 2.78Å; E173-R175 PolarHBondContact OE2-NH2 3Å; R175-D253 IonicContact CZ-OD2 3.94Å; R175-D253 IonicContact NH1-OD2 3.53Å; R175-D253 PolarHBondContact NH1-OD2 2.85Å
176	I	98.3	Very high	97.5	Very high	53 Å²	53	46.1 Å²	46.1	27%	0.272	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.7	-180	-61.9	171	0	0	0	107.8	L71 L74 K164 T166	L71-I176 HydrophobicContact CB-CG2 4.35Å; L71-I176 HydrophobicContact CD2-CG2 4.46Å; L71-I176 WeakPolarHBondContact CD2-O 3.29Å; L71-I176 HydrophobicContact CG-CG2 4.4Å; L74-I176 HydrophobicContact CD2-CG2 4.26Å; K164-I176 HydrophobicContact CD-CG2 4.2Å; K164-I176 HydrophobicContact CG-CG2 3.72Å; T166-I176 HydrophobicContact CG2-CG1 4.14Å
177	L	98.5	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164	165.6	64.8	123.9	0	0	0	110	S165 Y167 I250 I251 F254 I311 P312	S165-L177 PolarHBondContact N-O 3.26Å; S165-L177 PolarHBondContact O-N 3.15Å; S165-L177 VanDerWaalsContact O-O 3.11Å; Y167-L177 HydrophobicContact CD1-CD2 3.85Å; Y167-L177 HydrophobicContact CE1-CD2 4.2Å; L177-I250 HydrophobicContact CD1-CG2 4.4Å; L177-I251 WeakPolarHBondContact CA-O 3.32Å; L177-I251 WeakPolarHBondContact CB-O 3.48Å; L177-F254 HydrophobicContact CD1-CZ 3.97Å; L177-F254 HydrophobicContact CD2-CE1 4.01Å; L177-F254 HydrophobicContact CD2-CZ 4.06Å; L177-I311 HydrophobicContact CD1-CG2 4.41Å; L177-P312 HydrophobicContact CD2-CG 4.06Å
178	A	98.6	Very high	97.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.2	170.9	0	0	0	0	0	109.5	L71 L155 F162 Y163 I250 I251	L71-A178 HydrophobicContact CD1-CB 4.31Å; L71-A178 HydrophobicContact CG-CB 4.46Å; L155-A178 HydrophobicContact CD1-CB 3.95Å; L155-A178 HydrophobicContact CD2-CB 4.09Å; F162-A178 HydrophobicContact CD2-CB 4.37Å; F162-A178 HydrophobicContact CE2-CB 3.48Å; F162-A178 VanDerWaalsContact CE2-CB 3.48Å; F162-A178 HydrophobicContact CZ-CB 3.71Å; Y163-A178 CarbonylContact O-C 3.58Å; Y163-A178 VanDerWaalsContact O-CA 3.29Å; Y163-A178 WeakPolarHBondContact O-CA 3.39Å; A178-I250 CarbonylContact O-C 3.58Å; A178-I250 WeakPolarHBondContact O-CA 3.04Å; A178-I251 PolarHBondContact N-O 3.46Å; A178-I251 PolarHBondContact O-N 2.96Å
179	S	98.4	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	166	-176.6	-169.4	0	0	0	0	110.6	F162 Y163	F162-S179 WeakPolarHBondContact CD2-O 3.37Å; Y163-S179 WeakPolarHBondContact CD1-O 3.28Å; Y163-S179 WeakPolarHBondContact CE1-O 3.44Å; Y163-S179 PolarHBondContact N-O 2.86Å; Y163-S179 PolarHBondContact O-N 2.88Å
180	T	98.6	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	-178.6	50.9	0	0	0	0	111.4	G161 F162 F182 A248 F249	G161-T180 WeakPolarHBondContact O-CA 3.34Å; F162-T180 HydrophobicContact CB-CG2 4.35Å; F162-T180 HydrophobicContact CD2-CG2 3.71Å; F162-T180 HydrophobicContact CE2-CG2 4.44Å; F162-T180 HydrophobicContact CG-CG2 4.35Å; T180-F182 HydrophobicContact CG2-CE1 3.79Å; T180-F182 HydrophobicContact CG2-CE2 4.15Å; T180-F182 HydrophobicContact CG2-CZ 3.39Å; T180-A248 VanDerWaalsContact OG1-CA 3.27Å; T180-A248 WeakPolarHBondContact OG1-CA 3.12Å; T180-F249 HydrophobicContact CG2-CD1 4.24Å; T180-F249 HydrophobicContact CG2-CD2 3.68Å; T180-F249 HydrophobicContact CG2-CE1 4.06Å; T180-F249 HydrophobicContact CG2-CE2 3.48Å; T180-F249 VanDerWaalsContact CG2-CE2 3.48Å; T180-F249 HydrophobicContact CG2-CG 4.07Å; T180-F249 HydrophobicContact CG2-CZ 3.68Å; T180-F249 WeakPolarHBondContact CG2-O 3.17Å; T180-F249 PolarHBondContact OG1-N 2.92Å; T180-F249 PolarHBondContact OG1-O 3.16Å
181	Q	98.3	Very high	98	Very high	13 Å²	13	28.8 Å²	28.8	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	107.8	167.2	170.5	61.7	21.1	0	0	107.5	F159 H160 G161 Y163 M319	F159-Q181 WeakPolarHBondContact O-CB 3.48Å; H160-Q181 WeakPolarHBondContact CA-O 3.32Å; G161-Q181 PolarHBondContact N-O 3.38Å; G161-Q181 PolarHBondContact O-N 3.39Å; Y163-Q181 HydrophobicContact CD1-CB 4.47Å; Y163-Q181 HydrophobicContact CE1-CB 3.81Å; Q181-M319 PolarHBondContact NE2-SD 3.42Å; Q181-M319 VanDerWaalsContact NE2-SD 3.36Å
182	F	98.7	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.			trans	-108.2	-22	-170.2	-65.8	-22.2	0	0	0	114.7	G161 T180 P184 T185 A186 A187 A190 F191 V247 F249	G161-F182 WeakPolarHBondContact O-CE1 3.38Å; T180-F182 HydrophobicContact CG2-CE1 3.79Å; T180-F182 HydrophobicContact CG2-CE2 4.15Å; T180-F182 HydrophobicContact CG2-CZ 3.39Å; F182-P184 CarbonylContact O-C 3.55Å; F182-P184 VanDerWaalsContact O-C 3.27Å; F182-T185 PolarHBondContact O-N 2.88Å; F182-T185 VanDerWaalsContact O-N 3.14Å; F182-A186 WeakPolarHBondContact CD1-O 3.44Å; F182-A186 PolarHBondContact O-N 3.03Å; F182-A187 HydrophobicContact CB-CB 3.94Å; F182-A187 HydrophobicContact CD1-CB 4.41Å; F182-A187 HydrophobicContact CD2-CB 3.76Å; F182-A187 HydrophobicContact CE2-CB 4.38Å; F182-A187 VanDerWaalsContact CG-CA 3.5Å; F182-A187 HydrophobicContact CG-CB 3.79Å; F182-A190 HydrophobicContact CE1-CB 3.49Å; F182-A190 VanDerWaalsContact CE1-CB 3.49Å; F182-A190 HydrophobicContact CZ-CB 3.4Å; F182-F191 HydrophobicContact CD2-CE1 4.47Å; F182-F191 AromaticContact CE2-CE1 3.77Å; F182-F191 HydrophobicContact CE2-CE1 3.77Å; F182-F191 HydrophobicContact CZ-CE1 4.2Å; F182-V247 HydrophobicContact CD2-CB 4.12Å; F182-V247 WeakPolarHBondContact CD2-O 2.98Å; F182-V247 HydrophobicContact CE2-CB 3.98Å; F182-V247 HydrophobicContact CE2-CG1 4.02Å; F182-V247 WeakPolarHBondContact CE2-O 3.16Å; F182-F249 HydrophobicContact CE2-CE1 4.4Å; F182-F249 HydrophobicContact CZ-CE1 4.22Å; F182-F249 HydrophobicContact CZ-CZ 4.18Å
183	E	98.1	Very high	98.4	Very high	20 Å²	20	19.7 Å²	19.7	9%	0.093	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	134.5	178.2	-160.8	178.7	-145.5	0	0	111.4	Y245 M319 W369 F433	E183-Y245 HydrophobicContact CB-CD2 3.84Å; E183-Y245 HydrophobicContact CG-CD2 3.74Å; E183-Y245 HydrophobicContact CG-CE2 4.18Å; E183-Y245 HydrophobicContact CG-CG 4.36Å; E183-Y245 WeakPolarHBondContact OE1-CE2 3.49Å; E183-M319 HydrophobicContact CB-CE 3.62Å; E183-M319 HydrophobicContact CB-SD 3.5Å; E183-M319 WeakPolarHBondContact CB-SD 3.5Å; E183-M319 HydrophobicContact CG-CE 4.33Å; E183-M319 HydrophobicContact CG-SD 4.46Å; E183-W369 HydrophobicContact CG-CH2 3.76Å; E183-W369 HydrophobicContact CG-CZ3 3.97Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.29Å; E183-F433 HydrophobicContact CG-CE1 4.21Å; E183-F433 HydrophobicContact CG-CZ 3.81Å; E183-F433 WeakPolarHBondContact OE2-CE1 3.41Å
184	P	97.5	Very high	98.5	Very high	12 Å²	12	15.1 Å²	15.1	8%	0.078	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	-31.7	-2.6	30.8	-33.6	0	0	0	115.2	F182 W369 I429 R430 F433	F182-P184 CarbonylContact O-C 3.55Å; F182-P184 VanDerWaalsContact O-C 3.27Å; P184-W369 HydrophobicContact CB-CD2 4.14Å; P184-W369 HydrophobicContact CB-CE3 4.04Å; P184-W369 HydrophobicContact CB-CH2 3.66Å; P184-W369 HydrophobicContact CB-CZ2 3.69Å; P184-W369 HydrophobicContact CB-CZ3 3.8Å; P184-W369 WeakPolarHBondContact O-CZ2 3.3Å; P184-I429 HydrophobicContact CB-CG2 3.48Å; P184-I429 VanDerWaalsContact CB-CG2 3.48Å; P184-I429 HydrophobicContact CG-CG2 3.65Å; P184-R430 HydrophobicContact CG-CG 3.91Å; P184-F433 HydrophobicContact CB-CE2 3.97Å; P184-F433 HydrophobicContact CB-CZ 4.15Å; P184-F433 HydrophobicContact CG-CE2 4.04Å
185	T	98.4	Very high	98.5	Very high	11 Å²	11	10.8 Å²	10.8	7%	0.067	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	33	-165.7	65.9	0	0	0	0	113.5	F182 R188 I429	F182-T185 PolarHBondContact O-N 2.88Å; F182-T185 VanDerWaalsContact O-N 3.14Å; T185-R188 WeakPolarHBondContact O-CD 3.19Å; T185-R188 VanDerWaalsContact O-CG 3.28Å; T185-R188 WeakPolarHBondContact O-CG 3.33Å; T185-R188 PolarHBondContact O-NE 2.86Å; T185-R188 VanDerWaalsContact O-NE 3.08Å; T185-I429 HydrophobicContact CG2-CD1 3.99Å
186	A	98.6	Very high	98.6	Very high	7 Å²	7	7.6 Å²	7.6	6%	0.058	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	0.2	-174.4	0	0	0	0	0	114.4	H160 F182 R188 M189	H160-A186 HydrophobicContact CB-CB 4.13Å; F182-A186 WeakPolarHBondContact CD1-O 3.44Å; F182-A186 PolarHBondContact O-N 3.03Å; A186-R188 PolarHBondContact O-N 3.01Å; A186-M189 HydrophobicContact CB-SD 4.07Å; A186-M189 WeakPolarHBondContact O-CB 3.23Å; A186-M189 PolarHBondContact O-N 2.96Å
187	A	98.8	Very high	98.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-60.6	-37.1	171.4	0	0	0	0	0	111.1	F182 M189 A190 F191 D195	F182-A187 HydrophobicContact CB-CB 3.94Å; F182-A187 HydrophobicContact CD1-CB 4.41Å; F182-A187 HydrophobicContact CD2-CB 3.76Å; F182-A187 HydrophobicContact CE2-CB 4.38Å; F182-A187 VanDerWaalsContact CG-CA 3.5Å; F182-A187 HydrophobicContact CG-CB 3.79Å; A187-M189 PolarHBondContact O-N 2.92Å; A187-A190 PolarHBondContact O-N 2.79Å; A187-F191 HydrophobicContact CB-CE1 4.2Å; A187-F191 HydrophobicContact CB-CZ 4.02Å; A187-F191 PolarHBondContact O-N 3.14Å; A187-D195 WeakPolarHBondContact CB-OD1 3.36Å
188	R	98.7	Very high	98.6	Very high	10 Å²	10	7 Å²	7	4%	0.038	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-56.2	-14.2	172.1	68	-171.8	67.4	-173.2	-4.5	115.4	H96 H98 E129 T185 A186 F191 D195	H96-R188 HydrophobicContact CB-CB 3.63Å; H96-R188 HydrophobicContact CB-CG 4.43Å; H96-R188 PolarHBondContact CD2-NH1 3.49Å; H96-R188 PolarHBondContact CE1-NH2 2.93Å; H96-R188 VanDerWaalsContact CE1-NH2 3.34Å; H96-R188 VanDerWaalsContact CG-CZ 3.45Å; H96-R188 PolarHBondContact ND1-NH2 2.92Å; H96-R188 PolarHBondContact NE2-NH2 2.83Å; H98-R188 HydrophobicContact CB-CG 4.08Å; H98-R188 PolarHBondContact N-O 2.86Å; E129-R188 WeakPolarHBondContact OE2-CD 3.41Å; E129-R188 IonicContact OE2-CZ 3.37Å; E129-R188 IonicContact OE2-NE 2.64Å; E129-R188 IonicContact OE2-NH1 2.68Å; E129-R188 PolarHBondContact OE2-NH1 2.79Å; T185-R188 WeakPolarHBondContact O-CD 3.19Å; T185-R188 VanDerWaalsContact O-CG 3.28Å; T185-R188 WeakPolarHBondContact O-CG 3.33Å; T185-R188 PolarHBondContact O-NE 2.86Å; T185-R188 VanDerWaalsContact O-NE 3.08Å; A186-R188 PolarHBondContact O-N 3.01Å; R188-F191 WeakPolarHBondContact CA-O 3.5Å; R188-D195 HydrophobicContact CB-CB 4.16Å; R188-D195 WeakPolarHBondContact CB-OD2 3.38Å; R188-D195 WeakPolarHBondContact CG-OD2 3.39Å; R188-D195 IonicContact CZ-OD2 3.53Å; R188-D195 PolarHBondContact N-OD2 2.79Å; R188-D195 IonicContact NE-OD2 3.39Å; R188-D195 PolarHBondContact NE-OD2 3.41Å; R188-D195 PolarHBondContact NH2-O 2.92Å; R188-D195 IonicContact NH2-OD2 2.8Å
189	M	98.7	Very high	98.6	Very high	28 Å²	28	7.6 Å²	7.6	14%	0.138	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-91	-11.1	175.3	-61.6	176.4	64.9	0	0	113.4	H98 L100 H160 A186 A187	H98-M189 HydrophobicContact CB-CG 3.97Å; H98-M189 WeakPolarHBondContact O-CA 3.32Å; L100-M189 WeakPolarHBondContact CD2-O 3.22Å; H160-M189 VanDerWaalsContact CD2-SD 3.57Å; A186-M189 HydrophobicContact CB-SD 4.07Å; A186-M189 WeakPolarHBondContact O-CB 3.23Å; A186-M189 PolarHBondContact O-N 2.96Å; A187-M189 PolarHBondContact O-N 2.92Å
190	A	98.8	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-32.2	178.3	0	0	0	0	0	112.1	F76 Y151 F162 F182 A187 F249	F76-A190 WeakPolarHBondContact CE2-O 3.43Å; Y151-A190 WeakPolarHBondContact CE2-O 3.44Å; Y151-A190 PolarHBondContact OH-O 3.28Å; Y151-A190 VanDerWaalsContact OH-O 3.05Å; F162-A190 HydrophobicContact CB-CB 3.83Å; F182-A190 HydrophobicContact CE1-CB 3.49Å; F182-A190 VanDerWaalsContact CE1-CB 3.49Å; F182-A190 HydrophobicContact CZ-CB 3.4Å; A187-A190 PolarHBondContact O-N 2.79Å; A190-F249 HydrophobicContact CB-CZ 4.36Å
191	F	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-154.2	143.3	174.4	57.3	-85	0	0	0	111.1	L65 Y151 F182 A187 R188 C193 F203 V247	L65-F191 HydrophobicContact CD1-CD1 4.03Å; L65-F191 HydrophobicContact CD1-CD2 4.11Å; L65-F191 HydrophobicContact CD1-CE1 3.94Å; L65-F191 HydrophobicContact CD1-CE2 4.01Å; L65-F191 HydrophobicContact CD1-CG 4.13Å; L65-F191 HydrophobicContact CD1-CZ 3.93Å; L65-F191 HydrophobicContact CD2-CB 4.33Å; L65-F191 HydrophobicContact CD2-CD2 3.85Å; L65-F191 HydrophobicContact CD2-CE2 4.36Å; L65-F191 HydrophobicContact CD2-CG 4.09Å; Y151-F191 HydrophobicContact CE1-CB 4.49Å; Y151-F191 WeakPolarHBondContact OH-CA 3.45Å; Y151-F191 WeakPolarHBondContact OH-CB 3.36Å; F182-F191 HydrophobicContact CD2-CE1 4.47Å; F182-F191 AromaticContact CE2-CE1 3.77Å; F182-F191 HydrophobicContact CE2-CE1 3.77Å; F182-F191 HydrophobicContact CZ-CE1 4.2Å; A187-F191 HydrophobicContact CB-CE1 4.2Å; A187-F191 HydrophobicContact CB-CZ 4.02Å; A187-F191 PolarHBondContact O-N 3.14Å; R188-F191 WeakPolarHBondContact CA-O 3.5Å; F191-C193 HydrophobicContact CD2-CB 3.64Å; F191-C193 HydrophobicContact CE2-CB 3.5Å; F191-C193 VanDerWaalsContact CE2-CB 3.5Å; F191-C193 VanDerWaalsContact CE2-SG 3.58Å; F191-C193 PolarHBondContact O-N 3.12Å; F191-C193 PolarHBondContact O-SG 2.73Å; F191-C193 VanDerWaalsContact O-SG 3.33Å; F191-F203 HydrophobicContact CE2-CE1 4.28Å; F191-F203 HydrophobicContact CZ-CE1 4.41Å; F191-V247 HydrophobicContact CE1-CB 4.3Å; F191-V247 HydrophobicContact CE1-CG1 3.98Å; F191-V247 HydrophobicContact CZ-CB 4.19Å; F191-V247 HydrophobicContact CZ-CG1 4.2Å; F191-V247 HydrophobicContact CZ-CG2 4.08Å
192	P	98.8	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.			trans	-65.2	126.2	175.1	-19.1	32.8	0	0	0	110.6	L95 H96 L100 I102 I131 I149 Y151	L95-P192 HydrophobicContact CD1-CB 3.54Å; H96-P192 CarbonylContact O-C 3.47Å; H96-P192 VanDerWaalsContact O-CA 3.28Å; H96-P192 WeakPolarHBondContact O-CA 3.44Å; L100-P192 HydrophobicContact CD1-CG 4Å; I102-P192 HydrophobicContact CD1-CG 3.76Å; I131-P192 HydrophobicContact CD1-CB 4.32Å; I149-P192 HydrophobicContact CD1-CB 3.94Å; I149-P192 HydrophobicContact CD1-CG 4.41Å; I149-P192 HydrophobicContact CG2-CG 4.14Å; Y151-P192 HydrophobicContact CD1-CG 4.11Å; Y151-P192 VanDerWaalsContact CE1-CD 3.5Å; Y151-P192 HydrophobicContact CE1-CG 4.42Å; Y151-P192 HydrophobicContact CG-CG 4.4Å
193	C	98.9	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-156.3	168.5	-174.4	54.7	0	0	0	0	114.1	Y63 H96 F191 D195 T244	Y63-C193 HydrophobicContact CE1-CB 3.93Å; H96-C193 WeakPolarHBondContact CA-O 3.12Å; H96-C193 WeakPolarHBondContact CB-O 3.22Å; H96-C193 PolarHBondContact N-O 2.6Å; H96-C193 PolarHBondContact O-N 3.36Å; F191-C193 HydrophobicContact CD2-CB 3.64Å; F191-C193 HydrophobicContact CE2-CB 3.5Å; F191-C193 VanDerWaalsContact CE2-CB 3.5Å; F191-C193 VanDerWaalsContact CE2-SG 3.58Å; F191-C193 PolarHBondContact O-N 3.12Å; F191-C193 PolarHBondContact O-SG 2.73Å; F191-C193 VanDerWaalsContact O-SG 3.33Å; C193-D195 PolarHBondContact O-N 3.15Å; C193-T244 HydrophobicContact CB-CG2 4.06Å
194	F	98.9	Very high	98.7	Very high	1 Å²	1	9 Å²	9	0%	0.004	6%	0.057	C	C	.	.			trans	-80	73	171.5	-64.8	-94	0	0	0	108.4	L54 V58 P60 Y63 V82 I84 I93 I94 L95 E196 F199	L54-F194 HydrophobicContact CD1-CB 3.99Å; L54-F194 HydrophobicContact CD1-CD1 3.87Å; L54-F194 HydrophobicContact CD1-CG 4.34Å; V58-F194 HydrophobicContact CB-CE1 4.18Å; V58-F194 HydrophobicContact CB-CZ 4.34Å; V58-F194 HydrophobicContact CG1-CE1 4.06Å; V58-F194 HydrophobicContact CG1-CZ 3.71Å; P60-F194 HydrophobicContact CB-CD2 3.73Å; P60-F194 HydrophobicContact CB-CE2 4.17Å; P60-F194 HydrophobicContact CB-CG 4.48Å; P60-F194 HydrophobicContact CG-CB 3.99Å; P60-F194 HydrophobicContact CG-CD2 3.73Å; P60-F194 HydrophobicContact CG-CE2 4.5Å; P60-F194 HydrophobicContact CG-CG 3.99Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.48Å; Y63-F194 PolarHBondContact OH-N 2.73Å; Y63-F194 VanDerWaalsContact OH-N 3.1Å; V82-F194 HydrophobicContact CG2-CE2 4.47Å; I84-F194 HydrophobicContact CG2-CE2 3.81Å; I84-F194 HydrophobicContact CG2-CZ 4.19Å; I93-F194 HydrophobicContact CG2-CZ 3.88Å; I94-F194 VanDerWaalsContact O-CE1 3.31Å; I94-F194 WeakPolarHBondContact O-CE1 3.38Å; L95-F194 HydrophobicContact CB-CD1 4.38Å; L95-F194 HydrophobicContact CB-CE1 4.32Å; L95-F194 HydrophobicContact CB-CG 4.48Å; L95-F194 HydrophobicContact CB-CZ 4.38Å; L95-F194 HydrophobicContact CD2-CE2 4.48Å; F194-E196 PolarHBondContact O-N 2.87Å; F194-F199 HydrophobicContact CB-CB 3.9Å; F194-F199 HydrophobicContact CB-CD1 4.5Å; F194-F199 HydrophobicContact CB-CD2 3.94Å; F194-F199 HydrophobicContact CB-CG 3.87Å
195	D	98.8	Very high	98.7	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.011	5%	0.054	C	C	.	.			trans	-78.4	60.5	-166.3	-161.7	24.1	0	0	0	114.2	H96 A187 R188 C193 T244	H96-D195 HydrophobicContact CB-CB 3.81Å; H96-D195 PolarHBondContact ND1-N 2.71Å; A187-D195 WeakPolarHBondContact CB-OD1 3.36Å; R188-D195 HydrophobicContact CB-CB 4.16Å; R188-D195 WeakPolarHBondContact CB-OD2 3.38Å; R188-D195 WeakPolarHBondContact CG-OD2 3.39Å; R188-D195 IonicContact CZ-OD2 3.53Å; R188-D195 PolarHBondContact N-OD2 2.79Å; R188-D195 IonicContact NE-OD2 3.39Å; R188-D195 PolarHBondContact NE-OD2 3.41Å; R188-D195 PolarHBondContact NH2-O 2.92Å; R188-D195 IonicContact NH2-OD2 2.8Å; C193-D195 PolarHBondContact O-N 3.15Å; D195-T244 WeakPolarHBondContact OD1-CB 3.46Å; D195-T244 PolarHBondContact OD1-OG1 3.1Å
196	E	98.8	Very high	98.8	Very high	3 Å²	3	10.3 Å²	10.3	1%	0.014	6%	0.061	C	C	.	.	S	Bend	trans	-133	143.8	169.1	-48.3	-174.6	176.7	0	0	109.4	R53 L54 H96 F194 A198 F199 W368	R53-E196 WeakPolarHBondContact CA-OE1 3.36Å; R53-E196 IonicContact CZ-OE2 3.38Å; R53-E196 VanDerWaalsContact CZ-OE2 3.28Å; R53-E196 IonicContact NE-OE1 3.74Å; R53-E196 PolarHBondContact NE-OE1 2.73Å; R53-E196 IonicContact NE-OE2 2.79Å; R53-E196 PolarHBondContact NE-OE2 2.83Å; R53-E196 IonicContact NH2-OE2 3.77Å; R53-E196 PolarHBondContact NH2-OE2 2.83Å; L54-E196 HydrophobicContact CD1-CG 4.35Å; L54-E196 HydrophobicContact CG-CG 4.47Å; L54-E196 PolarHBondContact N-OE1 2.6Å; H96-E196 IonicContact CE1-OE1 3.62Å; F194-E196 PolarHBondContact O-N 2.87Å; E196-A198 PolarHBondContact O-N 2.64Å; E196-A198 VanDerWaalsContact O-N 3.09Å; E196-F199 HydrophobicContact CB-CD2 3.78Å; E196-F199 HydrophobicContact CB-CE2 4.09Å; E196-F199 HydrophobicContact CG-CD2 4.21Å; E196-F199 HydrophobicContact CG-CE2 4.16Å; E196-F199 PolarHBondContact O-N 3.4Å; E196-W368 HydrophobicContact CB-CE3 4.44Å; E196-W368 HydrophobicContact CB-CZ3 3.92Å; E196-W368 HydrophobicContact CG-CZ3 3.92Å
197	P	98.5	Very high	98.8	Very high	1 Å²	1	10 Å²	10	1%	0.006	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.9	-168.2	22.4	-33.5	0	0	0	114.6	F199 S243 Y245 T365 W368 W369 N472	P197-F199 VanDerWaalsContact C-N 3.33Å; P197-F199 PolarHBondContact O-N 3.34Å; P197-S243 PolarHBondContact O-OG 3.36Å; P197-Y245 HydrophobicContact CB-CD1 4.43Å; P197-Y245 HydrophobicContact CB-CE1 4.24Å; P197-T365 HydrophobicContact CB-CG2 4Å; P197-W368 HydrophobicContact CG-CE3 4.45Å; P197-W369 HydrophobicContact CG-CZ2 4.17Å; P197-N472 PolarHBondContact O-ND2 3.3Å
198	A	98.2	Very high	98.8	Very high	38 Å²	38	13.5 Å²	13.5	31%	0.314	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.1	177.1	0	0	0	0	0	114.2	E196 K200 E367	E196-A198 PolarHBondContact O-N 2.64Å; E196-A198 VanDerWaalsContact O-N 3.09Å; A198-K200 PolarHBondContact O-N 2.83Å; A198-E367 HydrophobicContact CB-CG 4.19Å
199	F	98.6	Very high	98.7	Very high	13 Å²	13	14.1 Å²	14.1	6%	0.057	7%	0.074	C	C	.	.			trans	-82.4	58.9	179.8	-66.4	-67.9	0	0	0	111.8	L54 I59 P60 F194 E196 P197 A201	L54-F199 HydrophobicContact CB-CE2 4.06Å; L54-F199 HydrophobicContact CB-CZ 4.34Å; L54-F199 HydrophobicContact CD1-CD2 4.47Å; L54-F199 HydrophobicContact CD1-CE2 4.13Å; I59-F199 HydrophobicContact CD1-CD1 4.19Å; I59-F199 HydrophobicContact CD1-CE1 3.78Å; P60-F199 HydrophobicContact CG-CB 3.86Å; P60-F199 HydrophobicContact CG-CD1 4.37Å; P60-F199 HydrophobicContact CG-CG 4.46Å; F194-F199 HydrophobicContact CB-CB 3.9Å; F194-F199 HydrophobicContact CB-CD1 4.5Å; F194-F199 HydrophobicContact CB-CD2 3.94Å; F194-F199 HydrophobicContact CB-CG 3.87Å; E196-F199 HydrophobicContact CB-CD2 3.78Å; E196-F199 HydrophobicContact CB-CE2 4.09Å; E196-F199 HydrophobicContact CG-CD2 4.21Å; E196-F199 HydrophobicContact CG-CE2 4.16Å; E196-F199 PolarHBondContact O-N 3.4Å; P197-F199 VanDerWaalsContact C-N 3.33Å; P197-F199 PolarHBondContact O-N 3.34Å; F199-A201 PolarHBondContact O-N 2.98Å
200	K	98.8	Very high	98.7	Very high	10 Å²	10	15.6 Å²	15.6	4%	0.043	8%	0.08	C	C	.	.			trans	-65.3	130.3	177.8	-70.3	-163.8	175.3	-167.3	0	111.9	A198 K241 M242 S243 N362 L363 T365 K471	A198-K200 PolarHBondContact O-N 2.83Å; K200-K241 WeakPolarHBondContact O-CE 3.42Å; K200-M242 VanDerWaalsContact CA-O 3.26Å; K200-M242 WeakPolarHBondContact CA-O 3.08Å; K200-S243 WeakPolarHBondContact CE-OG 3.34Å; K200-N362 PolarHBondContact NZ-O 2.9Å; K200-L363 PolarHBondContact NZ-O 3.37Å; K200-T365 WeakPolarHBondContact CE-OG1 3.48Å; K200-T365 PolarHBondContact NZ-OG1 2.64Å; K200-K471 WeakPolarHBondContact CE-O 3.36Å; K200-K471 PolarHBondContact NZ-O 3.31Å; K200-K471 VanDerWaalsContact NZ-O 3.1Å
201	A	98.8	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-138.1	171.3	177	0	0	0	0	0	110.8	P60 Y63 F199 F203 K241 M242	P60-A201 HydrophobicContact CB-CB 4.42Å; Y63-A201 HydrophobicContact CD2-CB 3.58Å; Y63-A201 HydrophobicContact CE2-CB 3.58Å; F199-A201 PolarHBondContact O-N 2.98Å; A201-F203 HydrophobicContact CB-CE2 4.31Å; A201-F203 HydrophobicContact CB-CZ 4.34Å; A201-F203 WeakPolarHBondContact O-CD2 3.32Å; A201-F203 VanDerWaalsContact O-CE2 3.27Å; A201-F203 WeakPolarHBondContact O-CE2 3.36Å; A201-K241 WeakPolarHBondContact O-CA 3.29Å; A201-M242 PolarHBondContact N-O 3.49Å; A201-M242 PolarHBondContact O-N 3.42Å
202	S	98.9	Very high	98.5	Very high	25 Å²	25	26.1 Å²	26.1	18%	0.175	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	151.1	168.1	52.6	0	0	0	0	110.4	V61 H62 Y63 T239	V61-S202 PolarHBondContact O-N 3.24Å; V61-S202 VanDerWaalsContact O-N 3.13Å; V61-S202 PolarHBondContact O-OG 3.49Å; H62-S202 CarbonylContact C-O 3.59Å; H62-S202 WeakPolarHBondContact CA-O 3.27Å; H62-S202 PolarHBondContact ND1-O 3.04Å; H62-S202 PolarHBondContact ND1-OG 3.09Å; Y63-S202 PolarHBondContact N-O 3.44Å; S202-T239 WeakPolarHBondContact CB-O 3.28Å
203	F	98.9	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.1	-174.9	-60.7	-97.6	0	0	0	110.7	Y63 L65 F191 A201 I205 T239 M242 T244 V247	Y63-F203 HydrophobicContact CD1-CE1 4.42Å; Y63-F203 AromaticContact CD2-CD1 3.85Å; Y63-F203 HydrophobicContact CD2-CD1 3.85Å; Y63-F203 AromaticContact CD2-CE1 3.33Å; Y63-F203 HydrophobicContact CD2-CE1 3.33Å; Y63-F203 AromaticContact CD2-CZ 3.74Å; Y63-F203 HydrophobicContact CD2-CZ 3.74Å; Y63-F203 AromaticContact CE2-CE1 3.88Å; Y63-F203 HydrophobicContact CE2-CE1 3.88Å; Y63-F203 HydrophobicContact CE2-CZ 4.03Å; Y63-F203 AromaticContact CG-CD1 3.85Å; Y63-F203 HydrophobicContact CG-CD1 3.85Å; Y63-F203 AromaticContact CG-CE1 3.64Å; Y63-F203 HydrophobicContact CG-CE1 3.64Å; Y63-F203 HydrophobicContact CG-CZ 4.48Å; Y63-F203 CarbonylContact O-C 3.54Å; Y63-F203 WeakPolarHBondContact O-CA 3.41Å; L65-F203 HydrophobicContact CD1-CD1 3.99Å; F191-F203 HydrophobicContact CE2-CE1 4.28Å; F191-F203 HydrophobicContact CZ-CE1 4.41Å; A201-F203 HydrophobicContact CB-CE2 4.31Å; A201-F203 HydrophobicContact CB-CZ 4.34Å; A201-F203 WeakPolarHBondContact O-CD2 3.32Å; A201-F203 VanDerWaalsContact O-CE2 3.27Å; A201-F203 WeakPolarHBondContact O-CE2 3.36Å; F203-I205 HydrophobicContact CB-CD1 4.44Å; F203-I205 HydrophobicContact CB-CG1 4.31Å; F203-T239 HydrophobicContact CB-CG2 4.04Å; F203-T239 PolarHBondContact N-OG1 3.01Å; F203-T239 WeakPolarHBondContact O-CG2 3.3Å; F203-T239 PolarHBondContact O-N 3.04Å; F203-M242 HydrophobicContact CD2-CE 3.71Å; F203-M242 HydrophobicContact CD2-CG 3.91Å; F203-M242 HydrophobicContact CE2-CE 4.24Å; F203-M242 HydrophobicContact CE2-CG 3.86Å; F203-M242 HydrophobicContact CG-CE 4.27Å; F203-T244 HydrophobicContact CE1-CG2 4.48Å; F203-T244 HydrophobicContact CZ-CG2 4.07Å; F203-V247 HydrophobicContact CD1-CG2 3.62Å; F203-V247 HydrophobicContact CD2-CG2 4.05Å; F203-V247 HydrophobicContact CE1-CG2 3.6Å; F203-V247 HydrophobicContact CE2-CG2 4.02Å; F203-V247 HydrophobicContact CG-CG2 3.87Å; F203-V247 HydrophobicContact CZ-CG2 3.81Å
204	S	98.8	Very high	98.5	Very high	27 Å²	27	29.2 Å²	29.2	19%	0.189	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	108.9	167	-67.7	0	0	0	0	108.5	H62 Y63 D64 L65	H62-S204 PolarHBondContact CE1-OG 3.24Å; H62-S204 PolarHBondContact NE2-OG 3.2Å; H62-S204 VanDerWaalsContact NE2-OG 3.1Å; Y63-S204 PolarHBondContact O-N 2.98Å; D64-S204 WeakPolarHBondContact CA-O 3.31Å; L65-S204 PolarHBondContact N-O 3.06Å
205	I	98.9	Very high	98.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.6	-173.7	-60.2	167.5	0	0	0	109.8	L65 F203 I207 S217 F236 V247 F249	L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CG1 4.39Å; L65-I205 CarbonylContact O-C 3.24Å; F203-I205 HydrophobicContact CB-CD1 4.44Å; F203-I205 HydrophobicContact CB-CG1 4.31Å; I205-I207 HydrophobicContact CG2-CD1 3.8Å; I205-I207 HydrophobicContact CG2-CG1 4.07Å; I205-S217 VanDerWaalsContact CD1-OG 3.22Å; I205-S217 WeakPolarHBondContact CD1-OG 3.37Å; I205-F236 HydrophobicContact CB-CD2 4.4Å; I205-F236 HydrophobicContact CG2-CD2 4.23Å; I205-F236 WeakPolarHBondContact O-CD2 3.42Å; I205-F236 PolarHBondContact O-N 2.69Å; I205-V247 HydrophobicContact CD1-CG1 3.9Å; I205-F249 HydrophobicContact CG2-CD1 4.47Å
206	K	98.9	Very high	98.5	Very high	49 Å²	49	29.6 Å²	29.6	21%	0.213	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.5	173	-66.4	179.1	-69	177.5	0	110.3	L65 L66 I67 E233 D234 H235	L65-K206 PolarHBondContact O-N 2.89Å; L66-K206 WeakPolarHBondContact CA-O 3.43Å; L66-K206 HydrophobicContact CD1-CB 3.82Å; I67-K206 PolarHBondContact N-O 2.81Å; K206-E233 HydrophobicContact CB-CG 4.37Å; K206-D234 CarbonylContact C-O 3.54Å; K206-D234 WeakPolarHBondContact CA-O 3.32Å; K206-H235 HydrophobicContact CG-CB 4.5Å
207	I	98.9	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.7	-177.8	-55.6	-60.9	0	0	0	109.5	I67 I205 A215 E233 D234 F236 F249 I251	I67-I207 HydrophobicContact CB-CD1 3.78Å; I67-I207 HydrophobicContact CG1-CD1 4.2Å; I67-I207 CarbonylContact O-C 3.57Å; I67-I207 WeakPolarHBondContact O-CA 3.24Å; I205-I207 HydrophobicContact CG2-CD1 3.8Å; I205-I207 HydrophobicContact CG2-CG1 4.07Å; I207-A215 HydrophobicContact CB-CB 4.01Å; I207-A215 HydrophobicContact CG1-CB 4.48Å; I207-A215 HydrophobicContact CG2-CB 3.81Å; I207-E233 WeakPolarHBondContact O-CA 3.21Å; I207-D234 PolarHBondContact N-O 2.86Å; I207-D234 PolarHBondContact O-N 2.86Å; I207-F236 HydrophobicContact CB-CE2 4.19Å; I207-F236 HydrophobicContact CG1-CD2 4.41Å; I207-F236 HydrophobicContact CG1-CE2 3.71Å; I207-F249 HydrophobicContact CD1-CB 3.97Å; I207-F249 HydrophobicContact CD1-CD1 4.43Å; I207-F249 HydrophobicContact CD1-CD2 4.06Å; I207-F249 HydrophobicContact CD1-CG 3.9Å; I207-F249 HydrophobicContact CG1-CB 4.38Å; I207-I251 HydrophobicContact CG2-CD1 3.65Å; I207-I251 HydrophobicContact CG2-CG1 3.81Å
208	R	98.7	Very high	98.5	Very high	74 Å²	74	29.5 Å²	29.5	28%	0.279	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.4	169.2	-69.6	-177.9	-178.7	-175.5	-1	110.2	L66 I67 H68 L231 I232 E233	L66-R208 HydrophobicContact CD1-CG 4.13Å; I67-R208 PolarHBondContact O-N 3.28Å; H68-R208 HydrophobicContact CB-CB 3.87Å; R208-L231 HydrophobicContact CB-CD1 4.21Å; R208-L231 HydrophobicContact CB-CD2 4.36Å; R208-L231 HydrophobicContact CB-CG 4.32Å; R208-I232 CarbonylContact C-O 3.57Å; R208-I232 VanDerWaalsContact CA-O 3.27Å; R208-I232 WeakPolarHBondContact CA-O 3.26Å; R208-E233 HydrophobicContact CG-CB 3.98Å; R208-E233 HydrophobicContact CG-CG 3.87Å; R208-E233 IonicContact CZ-OE2 2.9Å; R208-E233 VanDerWaalsContact CZ-OE2 3.23Å; R208-E233 IonicContact NE-OE2 3.37Å; R208-E233 PolarHBondContact NE-OE2 3.05Å; R208-E233 IonicContact NH2-OE2 3.93Å; R208-E233 PolarHBondContact NH2-OE2 2.92Å
209	R	98.2	Very high	98.5	Very high	23 Å²	23	28.2 Å²	28.2	9%	0.087	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.9	-178.1	58.2	159.5	177.3	85.4	9.8	112.5	H213 I232 D234 I251	R209-H213 VanDerWaalsContact CD-O 3.23Å; R209-H213 WeakPolarHBondContact CD-O 3.22Å; R209-H213 PolarHBondContact NE-O 2.88Å; R209-H213 PolarHBondContact NH1-O 3.04Å; R209-I232 PolarHBondContact N-O 3.38Å; R209-I232 PolarHBondContact O-N 2.86Å; R209-D234 IonicContact CZ-OD1 3.92Å; R209-D234 IonicContact CZ-OD2 3.5Å; R209-D234 IonicContact NE-OD2 2.83Å; R209-D234 PolarHBondContact NE-OD2 3.02Å; R209-D234 VanDerWaalsContact NH2-CG 3.34Å; R209-D234 IonicContact NH2-OD1 3.11Å; R209-D234 PolarHBondContact NH2-OD1 3.13Å; R209-D234 VanDerWaalsContact NH2-OD1 3.11Å; R209-D234 IonicContact NH2-OD2 2.78Å; R209-D234 PolarHBondContact NH2-OD2 2.81Å; R209-I251 HydrophobicContact CB-CG2 4.3Å
210	E	97.9	Very high	98.5	Very high	58 Å²	58	29.5 Å²	29.5	27%	0.271	15%	0.145	S	C	.	.			trans	-69.2	150.6	168.3	-66.5	173.7	-147.3	0	0	111.2	R212 H213	E210-R212 HydrophobicContact CB-CG 4.22Å; E210-R212 PolarHBondContact O-N 2.85Å; E210-R212 VanDerWaalsContact O-N 3.14Å; E210-R212 IonicContact OE1-NH2 2.68Å; E210-R212 IonicContact OE2-CZ 3.57Å; E210-R212 VanDerWaalsContact OE2-CZ 3.25Å; E210-R212 IonicContact OE2-NE 3.41Å; E210-R212 PolarHBondContact OE2-NE 2.99Å; E210-R212 IonicContact OE2-NH2 2.64Å; E210-R212 PolarHBondContact OE2-NH2 2.87Å; E210-H213 PolarHBondContact O-N 2.8Å; E210-H213 VanDerWaalsContact O-N 3.11Å
211	P	97.6	Very high	98.5	Very high	78 Å²	78	32.7 Å²	32.7	51%	0.506	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.1	-179.1	-27.2	33.1	0	0	0	115.5	H213 G230 I232	P211-H213 VanDerWaalsContact C-N 3.29Å; P211-H213 PolarHBondContact O-N 2.9Å; P211-G230 WeakPolarHBondContact CD-O 3.24Å; P211-I232 HydrophobicContact CB-CD1 4.03Å; P211-I232 HydrophobicContact CG-CD1 4.06Å; P211-I232 HydrophobicContact CG-CG1 4.31Å
212	R	96.7	Very high	98.5	Very high	144 Å²	144	36.8 Å²	36.8	54%	0.543	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.8	179.7	66.8	177.8	170.4	105.7	2	114.1	E210	E210-R212 HydrophobicContact CB-CG 4.22Å; E210-R212 PolarHBondContact O-N 2.85Å; E210-R212 VanDerWaalsContact O-N 3.14Å; E210-R212 IonicContact OE1-NH2 2.68Å; E210-R212 IonicContact OE2-CZ 3.57Å; E210-R212 VanDerWaalsContact OE2-CZ 3.25Å; E210-R212 IonicContact OE2-NE 3.41Å; E210-R212 PolarHBondContact OE2-NE 2.99Å; E210-R212 IonicContact OE2-NH2 2.64Å; E210-R212 PolarHBondContact OE2-NH2 2.87Å
213	H	98.3	Very high	98.4	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.046	20%	0.204	C	C	.	.	S	Bend	trans	-96.6	156.6	178.2	-61.9	127.9	0	0	0	110.3	R209 E210 P211 I251 S252	R209-H213 VanDerWaalsContact CD-O 3.23Å; R209-H213 WeakPolarHBondContact CD-O 3.22Å; R209-H213 PolarHBondContact NE-O 2.88Å; R209-H213 PolarHBondContact NH1-O 3.04Å; E210-H213 PolarHBondContact O-N 2.8Å; E210-H213 VanDerWaalsContact O-N 3.11Å; P211-H213 VanDerWaalsContact C-N 3.29Å; P211-H213 PolarHBondContact O-N 2.9Å; H213-I251 HydrophobicContact CB-CG2 3.82Å; H213-S252 CarbonylContact C-O 3.35Å; H213-S252 VanDerWaalsContact CA-O 3.25Å; H213-S252 WeakPolarHBondContact CA-O 3.16Å; H213-S252 WeakPolarHBondContact CB-O 3.43Å
214	L	98.3	Very high	98.4	Very high	54 Å²	54	44.4 Å²	44.4	28%	0.283	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	146.4	163.1	175.2	65.5	0	0	0	108.9	I216 I251 S252 Y270	L214-I216 HydrophobicContact CD1-CG2 4.47Å; L214-I216 HydrophobicContact CD2-CG2 3.96Å; L214-I216 HydrophobicContact CG-CG2 4.08Å; L214-I251 WeakPolarHBondContact O-CA 3.23Å; L214-S252 PolarHBondContact N-O 2.65Å; L214-S252 PolarHBondContact O-N 3.14Å; L214-Y270 HydrophobicContact CD2-CD1 4.23Å; L214-Y270 HydrophobicContact CD2-CE1 3.65Å
215	A	98.8	Very high	98.3	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134	164.2	0	0	0	0	0	109.9	I207 F236 I250	I207-A215 HydrophobicContact CB-CB 4.01Å; I207-A215 HydrophobicContact CG1-CB 4.48Å; I207-A215 HydrophobicContact CG2-CB 3.81Å; A215-F236 HydrophobicContact CB-CE2 4.5Å; A215-F236 HydrophobicContact CB-CZ 4.07Å; A215-F236 WeakPolarHBondContact O-CZ 3.39Å; A215-I250 VanDerWaalsContact CA-O 3.29Å; A215-I250 WeakPolarHBondContact CA-O 3.35Å
216	I	98.8	Very high	98.3	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.046	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.6	170.8	58.2	-179.1	0	0	0	109.4	L214 F249 I250 Y270 L324	L214-I216 HydrophobicContact CD1-CG2 4.47Å; L214-I216 HydrophobicContact CD2-CG2 3.96Å; L214-I216 HydrophobicContact CG-CG2 4.08Å; I216-F249 CarbonylContact O-C 3.52Å; I216-F249 VanDerWaalsContact O-CA 3.24Å; I216-F249 WeakPolarHBondContact O-CA 3.34Å; I216-I250 HydrophobicContact CD1-CB 4.37Å; I216-I250 HydrophobicContact CD1-CD1 4.19Å; I216-I250 HydrophobicContact CG1-CB 3.83Å; I216-I250 HydrophobicContact CG1-CD1 4.37Å; I216-I250 HydrophobicContact CG1-CG1 4.47Å; I216-I250 PolarHBondContact N-O 3.36Å; I216-I250 PolarHBondContact O-N 3.06Å; I216-Y270 HydrophobicContact CD1-CD1 4.2Å; I216-Y270 HydrophobicContact CD1-CD2 4.12Å; I216-Y270 HydrophobicContact CD1-CE1 4.46Å; I216-Y270 HydrophobicContact CD1-CE2 4.36Å; I216-Y270 HydrophobicContact CD1-CG 4.03Å; I216-Y270 HydrophobicContact CG2-CE1 4.15Å; I216-L324 HydrophobicContact CB-CD2 4.45Å; I216-L324 HydrophobicContact CD1-CD1 3.62Å; I216-L324 HydrophobicContact CD1-CD2 4.45Å; I216-L324 HydrophobicContact CG1-CD1 4.06Å; I216-L324 HydrophobicContact CG1-CD2 3.99Å
217	S	98.9	Very high	98.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-173.5	179.6	-171.3	0	0	0	0	109.9	I205 M219 A248 K305	I205-S217 VanDerWaalsContact CD1-OG 3.22Å; I205-S217 WeakPolarHBondContact CD1-OG 3.37Å; S217-M219 VanDerWaalsContact C-N 3.3Å; S217-M219 PolarHBondContact O-N 3.23Å; S217-A248 VanDerWaalsContact CA-O 3.27Å; S217-A248 WeakPolarHBondContact CA-O 3.47Å; S217-A248 WeakPolarHBondContact CB-O 3.26Å; S217-A248 PolarHBondContact OG-O 3.23Å; S217-K305 PolarHBondContact O-NZ 2.94Å
218	N	98.8	Very high	97.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.288	C	S	.	.	S	Bend	trans	-51.8	-46.3	-178.9	-63	96	0	0	0	112.8	T239 L246 A248 K305 W322	N218-T239 HydrophobicContact CB-CG2 4.02Å; N218-L246 PolarHBondContact ND2-O 2.84Å; N218-A248 PolarHBondContact N-O 3.46Å; N218-A248 PolarHBondContact OD1-N 3.17Å; N218-A248 PolarHBondContact OD1-O 2.85Å; N218-K305 WeakPolarHBondContact O-CE 3.2Å; N218-K305 PolarHBondContact O-NZ 3.22Å; N218-W322 WeakPolarHBondContact CA-O 3.46Å; N218-W322 WeakPolarHBondContact CB-O 3.48Å; N218-W322 PolarHBondContact ND2-O 2.69Å
219	M	98.8	Very high	97.5	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.059	32%	0.32	C	S	.	.	S	Bend	trans	-102	165.4	-174.2	-65.4	-57.7	-70.5	0	0	112.7	S217 F236 D237 V238 T239 L303	S217-M219 VanDerWaalsContact C-N 3.3Å; S217-M219 PolarHBondContact O-N 3.23Å; M219-F236 HydrophobicContact CB-CB 4.49Å; M219-F236 VanDerWaalsContact O-CD1 3.3Å; M219-F236 WeakPolarHBondContact O-CD1 3.49Å; M219-D237 HydrophobicContact CB-CB 3.97Å; M219-D237 WeakPolarHBondContact CB-O 3.45Å; M219-D237 HydrophobicContact CE-CB 4.19Å; M219-D237 VanDerWaalsContact CG-O 3.27Å; M219-D237 WeakPolarHBondContact CG-O 3.45Å; M219-V238 WeakPolarHBondContact CE-O 3.22Å; M219-T239 HydrophobicContact CG-CG2 3.65Å; M219-T239 HydrophobicContact SD-CG2 4.48Å; M219-L303 HydrophobicContact CE-CD2 4.28Å; M219-L303 HydrophobicContact SD-CD1 3.96Å; M219-L303 HydrophobicContact SD-CD2 3.77Å; M219-L303 HydrophobicContact SD-CG 4.31Å
220	P	98.7	Very high	97.3	Very high	39 Å²	39	60.6 Å²	60.6	25%	0.253	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-61.1	149.2	173.2	-19.5	30.3	0	0	0	112.9	V222 F236 D237 P304 K305	P220-V222 PolarHBondContact O-N 2.85Å; P220-F236 WeakPolarHBondContact O-CA 3.28Å; P220-D237 PolarHBondContact O-N 2.84Å; P220-P304 HydrophobicContact CG-CB 4.26Å; P220-P304 HydrophobicContact CG-CG 3.31Å; P220-K305 HydrophobicContact CG-CG 3.88Å
221	L	98.5	Very high	97.2	Very high	77 Å²	77	59.1 Å²	59.1	40%	0.403	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119.7	167.5	178.7	68.5	0	0	0	109.5	D234 F236	L221-D234 HydrophobicContact CD1-CB 3.51Å; L221-F236 HydrophobicContact CB-CD1 4.33Å; L221-F236 HydrophobicContact CB-CE1 4.17Å; L221-F236 HydrophobicContact CD1-CE1 4.3Å; L221-F236 HydrophobicContact CD1-CZ 4.45Å
222	V	98	Very high	97.3	Very high	87 Å²	87	57 Å²	57	53%	0.527	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-32.3	178.1	-63.6	0	0	0	0	112.5	P220 H235 D237	P220-V222 PolarHBondContact O-N 2.85Å; V222-H235 HydrophobicContact CG2-CB 3.94Å; V222-H235 WeakPolarHBondContact CG2-O 3.36Å; V222-H235 PolarHBondContact N-O 2.79Å; V222-D237 HydrophobicContact CG1-CB 3.69Å
223	K	97.6	Very high	97.3	Very high	125 Å²	125	50.9 Å²	50.9	54%	0.543	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	142.8	-175.4	-166.4	-178.6	-174.4	-175	0	111.5	V225 H235	K223-V225 HydrophobicContact CD-CG2 3.75Å; K223-V225 HydrophobicContact CG-CG2 3.89Å; K223-H235 HydrophobicContact CB-CB 4.26Å; K223-H235 PolarHBondContact N-O 2.84Å; K223-H235 PolarHBondContact O-N 3.29Å
224	S	97.9	Very high	97.4	Very high	59 Å²	59	50.4 Å²	50.4	41%	0.413	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.9	166.4	-60	0	0	0	0	109.4	D234	S224-D234 VanDerWaalsContact CB-OD1 3.28Å; S224-D234 WeakPolarHBondContact CB-OD1 3.26Å; S224-D234 PolarHBondContact OG-OD1 2.82Å
225	V	97.8	Very high	97.4	Very high	48 Å²	48	50.1 Å²	50.1	29%	0.291	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.7	-178.3	-174.1	0	0	0	0	110.1	K223 V227 E233	K223-V225 HydrophobicContact CD-CG2 3.75Å; K223-V225 HydrophobicContact CG-CG2 3.89Å; V225-V227 PolarHBondContact O-N 2.8Å; V225-E233 PolarHBondContact N-O 2.88Å; V225-E233 PolarHBondContact O-N 2.83Å
226	T	97.3	Very high	97.4	Very high	108 Å²	108	50.7 Å²	50.7	66%	0.663	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	115.3	170.1	-49.5	0	0	0	0	109.2	A228	T226-A228 WeakPolarHBondContact CG2-O 3.49Å
227	V	95.8	Very high	97.4	Very high	58 Å²	58	53.7 Å²	53.7	35%	0.352	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-22.7	-175.7	-69.8	0	0	0	0	113.3	V225 L231 E233	V225-V227 PolarHBondContact O-N 2.8Å; V227-L231 HydrophobicContact CG2-CB 4.15Å; V227-L231 HydrophobicContact CG2-CD2 3.92Å; V227-L231 HydrophobicContact CG2-CG 3.94Å; V227-L231 PolarHBondContact N-O 3.5Å; V227-E233 HydrophobicContact CG1-CB 3.59Å; V227-E233 HydrophobicContact CG2-CB 4.22Å
228	A	94.1	Very high	97.4	Very high	54 Å²	54	56.7 Å²	56.7	45%	0.446	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	170.6	173.4	0	0	0	0	0	109	T226 G230 L231	T226-A228 WeakPolarHBondContact CG2-O 3.49Å; A228-G230 PolarHBondContact O-N 3.24Å; A228-L231 HydrophobicContact CB-CB 4.26Å; A228-L231 PolarHBondContact O-N 2.87Å; A228-L231 VanDerWaalsContact O-N 3.07Å
229	E	91.4	Very high	97.4	Very high	203 Å²	203	57 Å²	57	95%	0.949	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	121.9	175.1	-171.9	159.8	-167.8	0	0	110.5	L231	E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 3.25Å
230	G	92.5	Very high	97.4	Very high	46 Å²	46	58.1 Å²	58.1	47%	0.474	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	13.4	-177.6	0	0	0	0	0	115.9	P211 A228	P211-G230 WeakPolarHBondContact CD-O 3.24Å; A228-G230 PolarHBondContact O-N 3.24Å
231	L	97.1	Very high	97.4	Very high	27 Å²	27	61.5 Å²	61.5	14%	0.141	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.2	179.6	-164.2	68.2	0	0	0	112.6	R208 V227 A228 E229	R208-L231 HydrophobicContact CB-CD1 4.21Å; R208-L231 HydrophobicContact CB-CD2 4.36Å; R208-L231 HydrophobicContact CB-CG 4.32Å; V227-L231 HydrophobicContact CG2-CB 4.15Å; V227-L231 HydrophobicContact CG2-CD2 3.92Å; V227-L231 HydrophobicContact CG2-CG 3.94Å; V227-L231 PolarHBondContact N-O 3.5Å; A228-L231 HydrophobicContact CB-CB 4.26Å; A228-L231 PolarHBondContact O-N 2.87Å; A228-L231 VanDerWaalsContact O-N 3.07Å; E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 3.25Å
232	I	98.4	Very high	97.4	Very high	32 Å²	32	57.9 Å²	57.9	16%	0.164	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.8	177.9	-57.8	177.4	0	0	0	108.7	R208 R209 P211	R208-I232 CarbonylContact C-O 3.57Å; R208-I232 VanDerWaalsContact CA-O 3.27Å; R208-I232 WeakPolarHBondContact CA-O 3.26Å; R209-I232 PolarHBondContact N-O 3.38Å; R209-I232 PolarHBondContact O-N 2.86Å; P211-I232 HydrophobicContact CB-CD1 4.03Å; P211-I232 HydrophobicContact CG-CD1 4.06Å; P211-I232 HydrophobicContact CG-CG1 4.31Å
233	E	98.7	Very high	97.4	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.9	170	-169.2	178.1	98.8	0	0	109.3	L66 K206 I207 R208 V225 V227 H235	L66-E233 HydrophobicContact CD1-CG 4.33Å; K206-E233 HydrophobicContact CB-CG 4.37Å; I207-E233 WeakPolarHBondContact O-CA 3.21Å; R208-E233 HydrophobicContact CG-CB 3.98Å; R208-E233 HydrophobicContact CG-CG 3.87Å; R208-E233 IonicContact CZ-OE2 2.9Å; R208-E233 VanDerWaalsContact CZ-OE2 3.23Å; R208-E233 IonicContact NE-OE2 3.37Å; R208-E233 PolarHBondContact NE-OE2 3.05Å; R208-E233 IonicContact NH2-OE2 3.93Å; R208-E233 PolarHBondContact NH2-OE2 2.92Å; V225-E233 PolarHBondContact N-O 2.88Å; V225-E233 PolarHBondContact O-N 2.83Å; V227-E233 HydrophobicContact CG1-CB 3.59Å; V227-E233 HydrophobicContact CG2-CB 4.22Å; E233-H235 IonicContact OE1-CD2 3.65Å; E233-H235 IonicContact OE1-CE1 3.65Å; E233-H235 IonicContact OE1-NE2 2.73Å; E233-H235 PolarHBondContact OE1-NE2 3.47Å
234	D	98.8	Very high	97.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.4	175.2	-76.8	-18.1	0	0	0	109.9	K206 I207 R209 L221 S224 F236	K206-D234 CarbonylContact C-O 3.54Å; K206-D234 WeakPolarHBondContact CA-O 3.32Å; I207-D234 PolarHBondContact N-O 2.86Å; I207-D234 PolarHBondContact O-N 2.86Å; R209-D234 IonicContact CZ-OD1 3.92Å; R209-D234 IonicContact CZ-OD2 3.5Å; R209-D234 IonicContact NE-OD2 2.83Å; R209-D234 PolarHBondContact NE-OD2 3.02Å; R209-D234 VanDerWaalsContact NH2-CG 3.34Å; R209-D234 IonicContact NH2-OD1 3.11Å; R209-D234 PolarHBondContact NH2-OD1 3.13Å; R209-D234 VanDerWaalsContact NH2-OD1 3.11Å; R209-D234 IonicContact NH2-OD2 2.78Å; R209-D234 PolarHBondContact NH2-OD2 2.81Å; L221-D234 HydrophobicContact CD1-CB 3.51Å; S224-D234 VanDerWaalsContact CB-OD1 3.28Å; S224-D234 WeakPolarHBondContact CB-OD1 3.26Å; S224-D234 PolarHBondContact OG-OD1 2.82Å; D234-F236 HydrophobicContact CB-CE2 4.05Å; D234-F236 HydrophobicContact CB-CZ 4.25Å
235	H	98.8	Very high	97.5	Very high	48 Å²	48	45 Å²	45	22%	0.222	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.9	178.4	-64.2	-164.5	0	0	0	107.6	K206 V222 K223 E233	K206-H235 HydrophobicContact CG-CB 4.5Å; V222-H235 HydrophobicContact CG2-CB 3.94Å; V222-H235 WeakPolarHBondContact CG2-O 3.36Å; V222-H235 PolarHBondContact N-O 2.79Å; K223-H235 HydrophobicContact CB-CB 4.26Å; K223-H235 PolarHBondContact N-O 2.84Å; K223-H235 PolarHBondContact O-N 3.29Å; E233-H235 IonicContact OE1-CD2 3.65Å; E233-H235 IonicContact OE1-CE1 3.65Å; E233-H235 IonicContact OE1-NE2 2.73Å; E233-H235 PolarHBondContact OE1-NE2 3.47Å
236	F	98.9	Very high	97.6	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.4	174.5	-61.4	-84.6	0	0	0	110.1	I205 I207 A215 M219 P220 L221 D234	I205-F236 HydrophobicContact CB-CD2 4.4Å; I205-F236 HydrophobicContact CG2-CD2 4.23Å; I205-F236 WeakPolarHBondContact O-CD2 3.42Å; I205-F236 PolarHBondContact O-N 2.69Å; I207-F236 HydrophobicContact CB-CE2 4.19Å; I207-F236 HydrophobicContact CG1-CD2 4.41Å; I207-F236 HydrophobicContact CG1-CE2 3.71Å; A215-F236 HydrophobicContact CB-CE2 4.5Å; A215-F236 HydrophobicContact CB-CZ 4.07Å; A215-F236 WeakPolarHBondContact O-CZ 3.39Å; M219-F236 HydrophobicContact CB-CB 4.49Å; M219-F236 VanDerWaalsContact O-CD1 3.3Å; M219-F236 WeakPolarHBondContact O-CD1 3.49Å; P220-F236 WeakPolarHBondContact O-CA 3.28Å; L221-F236 HydrophobicContact CB-CD1 4.33Å; L221-F236 HydrophobicContact CB-CE1 4.17Å; L221-F236 HydrophobicContact CD1-CE1 4.3Å; L221-F236 HydrophobicContact CD1-CZ 4.45Å; D234-F236 HydrophobicContact CB-CE2 4.05Å; D234-F236 HydrophobicContact CB-CZ 4.25Å
237	D	98.7	Very high	97.7	Very high	73 Å²	73	37.6 Å²	37.6	39%	0.39	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-62	159.1	174.1	-151.4	-11.3	0	0	0	111	M219 P220 V222	M219-D237 HydrophobicContact CB-CB 3.97Å; M219-D237 WeakPolarHBondContact CB-O 3.45Å; M219-D237 HydrophobicContact CE-CB 4.19Å; M219-D237 VanDerWaalsContact CG-O 3.27Å; M219-D237 WeakPolarHBondContact CG-O 3.45Å; P220-D237 PolarHBondContact O-N 2.84Å; V222-D237 HydrophobicContact CG1-CB 3.69Å
238	V	98.8	Very high	97.8	Very high	63 Å²	63	34.9 Å²	34.9	38%	0.382	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-72.3	133.7	179.4	63.3	0	0	0	0	110.6	M219	M219-V238 WeakPolarHBondContact CE-O 3.22Å
239	T	98.9	Very high	98	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-70.4	157.9	176.7	72.8	0	0	0	0	111.3	S202 F203 N218 M219 M242	S202-T239 WeakPolarHBondContact CB-O 3.28Å; F203-T239 HydrophobicContact CB-CG2 4.04Å; F203-T239 PolarHBondContact N-OG1 3.01Å; F203-T239 WeakPolarHBondContact O-CG2 3.3Å; F203-T239 PolarHBondContact O-N 3.04Å; N218-T239 HydrophobicContact CB-CG2 4.02Å; M219-T239 HydrophobicContact CG-CG2 3.65Å; M219-T239 HydrophobicContact SD-CG2 4.48Å; T239-M242 HydrophobicContact CG2-CE 3.68Å; T239-M242 HydrophobicContact CG2-SD 4.13Å
240	V	98.7	Very high	98.4	Very high	35 Å²	35	22.7 Å²	22.7	21%	0.212	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-61.3	170.5	157.9	-61.3	0	0	0	0	111	M242 L303 W322 Y470	V240-M242 PolarHBondContact O-N 2.85Å; V240-L303 HydrophobicContact CG1-CD2 3.96Å; V240-L303 HydrophobicContact CG2-CD2 4.05Å; V240-W322 HydrophobicContact CG2-CD2 4.25Å; V240-W322 HydrophobicContact CG2-CE3 3.87Å; V240-W322 HydrophobicContact CG2-CH2 3.7Å; V240-W322 HydrophobicContact CG2-CZ2 4.12Å; V240-W322 HydrophobicContact CG2-CZ3 3.58Å; V240-Y470 HydrophobicContact CB-CD1 4.24Å; V240-Y470 HydrophobicContact CB-CE1 3.76Å; V240-Y470 HydrophobicContact CG1-CE1 4.13Å; V240-Y470 HydrophobicContact CG2-CD1 4.36Å; V240-Y470 HydrophobicContact CG2-CE1 3.89Å
241	K	98.7	Very high	98.7	Very high	109 Å²	109	20.5 Å²	20.5	47%	0.474	11%	0.105	S	C	.	.	S	Bend	trans	-62.7	118.6	173.3	-75	-170.1	71.9	-170.3	0	110.5	K200 A201	K200-K241 WeakPolarHBondContact O-CE 3.42Å; A201-K241 WeakPolarHBondContact O-CA 3.29Å
242	M	98.8	Very high	98.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-146.7	167.9	180	70.7	-174.2	-164.9	0	0	111.4	K200 A201 F203 T239 V240 L246 V247 W322	K200-M242 VanDerWaalsContact CA-O 3.26Å; K200-M242 WeakPolarHBondContact CA-O 3.08Å; A201-M242 PolarHBondContact N-O 3.49Å; A201-M242 PolarHBondContact O-N 3.42Å; F203-M242 HydrophobicContact CD2-CE 3.71Å; F203-M242 HydrophobicContact CD2-CG 3.91Å; F203-M242 HydrophobicContact CE2-CE 4.24Å; F203-M242 HydrophobicContact CE2-CG 3.86Å; F203-M242 HydrophobicContact CG-CE 4.27Å; T239-M242 HydrophobicContact CG2-CE 3.68Å; T239-M242 HydrophobicContact CG2-SD 4.13Å; V240-M242 PolarHBondContact O-N 2.85Å; M242-L246 HydrophobicContact CB-CD1 4.32Å; M242-L246 HydrophobicContact SD-CB 4.33Å; M242-V247 HydrophobicContact CE-CB 4.38Å; M242-V247 HydrophobicContact CE-CG2 3.69Å; M242-W322 HydrophobicContact CB-CE3 3.65Å; M242-W322 HydrophobicContact CB-CZ3 3.9Å; M242-W322 HydrophobicContact SD-CB 4.23Å; M242-W322 HydrophobicContact SD-CE3 4.31Å
243	S	98.8	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.			trans	-81.3	155.2	178.8	-55.6	0	0	0	0	111.4	P197 K200 Y245 L246	P197-S243 PolarHBondContact O-OG 3.36Å; K200-S243 WeakPolarHBondContact CE-OG 3.34Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 3.45Å; S243-L246 PolarHBondContact O-N 2.97Å
244	T	98.8	Very high	98.8	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-59.4	-36	-177	47.5	0	0	0	0	113.5	C193 D195 F203 L246 V247	C193-T244 HydrophobicContact CB-CG2 4.06Å; D195-T244 WeakPolarHBondContact OD1-CB 3.46Å; D195-T244 PolarHBondContact OD1-OG1 3.1Å; F203-T244 HydrophobicContact CE1-CG2 4.48Å; F203-T244 HydrophobicContact CZ-CG2 4.07Å; T244-L246 PolarHBondContact O-N 3.31Å; T244-L246 VanDerWaalsContact O-N 3.15Å; T244-V247 WeakPolarHBondContact O-CB 3.27Å; T244-V247 WeakPolarHBondContact O-CG2 3.41Å; T244-V247 PolarHBondContact O-N 3.25Å; T244-V247 VanDerWaalsContact O-N 3.13Å
245	Y	98.7	Very high	98.7	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-65.4	-16.2	-178.7	80.8	-94.2	0	0	0	113.7	E183 P197 S243 M319 N321 G361 T365 W369 N375	E183-Y245 HydrophobicContact CB-CD2 3.84Å; E183-Y245 HydrophobicContact CG-CD2 3.74Å; E183-Y245 HydrophobicContact CG-CE2 4.18Å; E183-Y245 HydrophobicContact CG-CG 4.36Å; E183-Y245 WeakPolarHBondContact OE1-CE2 3.49Å; P197-Y245 HydrophobicContact CB-CD1 4.43Å; P197-Y245 HydrophobicContact CB-CE1 4.24Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 3.45Å; Y245-M319 HydrophobicContact CD2-CE 3.65Å; Y245-M319 HydrophobicContact CE2-CE 3.8Å; Y245-N321 PolarHBondContact O-ND2 3.19Å; Y245-G361 PolarHBondContact OH-O 3.08Å; Y245-T365 HydrophobicContact CE1-CG2 3.92Å; Y245-W369 HydrophobicContact CD1-CH2 4.07Å; Y245-W369 HydrophobicContact CD1-CZ2 4.38Å; Y245-W369 HydrophobicContact CE1-CH2 4.33Å; Y245-W369 HydrophobicContact CG-CH2 4.2Å; Y245-N375 PolarHBondContact OH-ND2 2.89Å
246	L	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-90.2	-10.6	178.2	-64.6	173.3	0	0	0	113.5	N218 M242 S243 T244 A248 M319 E320 N321 N362	N218-L246 PolarHBondContact ND2-O 2.84Å; M242-L246 HydrophobicContact CB-CD1 4.32Å; M242-L246 HydrophobicContact SD-CB 4.33Å; S243-L246 PolarHBondContact O-N 2.97Å; T244-L246 PolarHBondContact O-N 3.31Å; T244-L246 VanDerWaalsContact O-N 3.15Å; L246-A248 PolarHBondContact O-N 3.46Å; L246-M319 HydrophobicContact CD2-CE 4.09Å; L246-E320 HydrophobicContact CD2-CG 3.8Å; L246-N321 WeakPolarHBondContact O-CB 3.45Å; L246-N362 HydrophobicContact CD1-CB 4.09Å; L246-N362 VanDerWaalsContact CD1-OD1 3.22Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.39Å; L246-N362 WeakPolarHBondContact CD2-OD1 3.39Å
247	V	98.9	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.			trans	-61.2	132.2	174.5	176.1	0	0	0	0	108.8	L65 F182 F191 F203 I205 M242 T244 F249	L65-V247 HydrophobicContact CD1-CG1 4.24Å; F182-V247 HydrophobicContact CD2-CB 4.12Å; F182-V247 WeakPolarHBondContact CD2-O 2.98Å; F182-V247 HydrophobicContact CE2-CB 3.98Å; F182-V247 HydrophobicContact CE2-CG1 4.02Å; F182-V247 WeakPolarHBondContact CE2-O 3.16Å; F191-V247 HydrophobicContact CE1-CB 4.3Å; F191-V247 HydrophobicContact CE1-CG1 3.98Å; F191-V247 HydrophobicContact CZ-CB 4.19Å; F191-V247 HydrophobicContact CZ-CG1 4.2Å; F191-V247 HydrophobicContact CZ-CG2 4.08Å; F203-V247 HydrophobicContact CD1-CG2 3.62Å; F203-V247 HydrophobicContact CD2-CG2 4.05Å; F203-V247 HydrophobicContact CE1-CG2 3.6Å; F203-V247 HydrophobicContact CE2-CG2 4.02Å; F203-V247 HydrophobicContact CG-CG2 3.87Å; F203-V247 HydrophobicContact CZ-CG2 3.81Å; I205-V247 HydrophobicContact CD1-CG1 3.9Å; M242-V247 HydrophobicContact CE-CB 4.38Å; M242-V247 HydrophobicContact CE-CG2 3.69Å; T244-V247 WeakPolarHBondContact O-CB 3.27Å; T244-V247 WeakPolarHBondContact O-CG2 3.41Å; T244-V247 PolarHBondContact O-N 3.25Å; T244-V247 VanDerWaalsContact O-N 3.13Å; V247-F249 HydrophobicContact CG1-CD1 4.26Å; V247-F249 HydrophobicContact CG1-CE1 4.18Å
248	A	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.			trans	-142.9	145.1	177.1	0	0	0	0	0	112.3	T180 S217 N218 L246 N321 L324	T180-A248 VanDerWaalsContact OG1-CA 3.27Å; T180-A248 WeakPolarHBondContact OG1-CA 3.12Å; S217-A248 VanDerWaalsContact CA-O 3.27Å; S217-A248 WeakPolarHBondContact CA-O 3.47Å; S217-A248 WeakPolarHBondContact CB-O 3.26Å; S217-A248 PolarHBondContact OG-O 3.23Å; N218-A248 PolarHBondContact N-O 3.46Å; N218-A248 PolarHBondContact OD1-N 3.17Å; N218-A248 PolarHBondContact OD1-O 2.85Å; L246-A248 PolarHBondContact O-N 3.46Å; A248-N321 HydrophobicContact CB-CB 3.54Å; A248-L324 HydrophobicContact CB-CB 4.46Å; A248-L324 HydrophobicContact CB-CD2 4.14Å; A248-L324 HydrophobicContact CB-CG 4.46Å
249	F	98.8	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142.4	169.1	45	-94.5	0	0	0	110.7	I67 F162 T180 F182 A190 I205 I207 I216 V247	I67-F249 HydrophobicContact CD1-CZ 4.43Å; I67-F249 HydrophobicContact CG1-CE1 4.33Å; I67-F249 HydrophobicContact CG1-CE2 4.29Å; I67-F249 HydrophobicContact CG1-CZ 3.95Å; I67-F249 HydrophobicContact CG2-CE2 4.21Å; F162-F249 HydrophobicContact CD1-CE2 4.07Å; F162-F249 HydrophobicContact CD2-CD2 4.21Å; F162-F249 AromaticContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CE1-CE2 4.06Å; F162-F249 AromaticContact CE2-CD2 3.88Å; F162-F249 HydrophobicContact CE2-CD2 3.88Å; F162-F249 AromaticContact CE2-CE2 3.64Å; F162-F249 HydrophobicContact CE2-CE2 3.64Å; F162-F249 AromaticContact CG-CE2 3.88Å; F162-F249 HydrophobicContact CG-CE2 3.88Å; F162-F249 HydrophobicContact CZ-CD2 4.2Å; F162-F249 AromaticContact CZ-CE2 3.86Å; F162-F249 HydrophobicContact CZ-CE2 3.86Å; T180-F249 HydrophobicContact CG2-CD1 4.24Å; T180-F249 HydrophobicContact CG2-CD2 3.68Å; T180-F249 HydrophobicContact CG2-CE1 4.06Å; T180-F249 HydrophobicContact CG2-CE2 3.48Å; T180-F249 VanDerWaalsContact CG2-CE2 3.48Å; T180-F249 HydrophobicContact CG2-CG 4.07Å; T180-F249 HydrophobicContact CG2-CZ 3.68Å; T180-F249 WeakPolarHBondContact CG2-O 3.17Å; T180-F249 PolarHBondContact OG1-N 2.92Å; T180-F249 PolarHBondContact OG1-O 3.16Å; F182-F249 HydrophobicContact CE2-CE1 4.4Å; F182-F249 HydrophobicContact CZ-CE1 4.22Å; F182-F249 HydrophobicContact CZ-CZ 4.18Å; A190-F249 HydrophobicContact CB-CZ 4.36Å; I205-F249 HydrophobicContact CG2-CD1 4.47Å; I207-F249 HydrophobicContact CD1-CB 3.97Å; I207-F249 HydrophobicContact CD1-CD1 4.43Å; I207-F249 HydrophobicContact CD1-CD2 4.06Å; I207-F249 HydrophobicContact CD1-CG 3.9Å; I207-F249 HydrophobicContact CG1-CB 4.38Å; I216-F249 CarbonylContact O-C 3.52Å; I216-F249 VanDerWaalsContact O-CA 3.24Å; I216-F249 WeakPolarHBondContact O-CA 3.34Å; V247-F249 HydrophobicContact CG1-CD1 4.26Å; V247-F249 HydrophobicContact CG1-CE1 4.18Å
250	I	98.9	Very high	98.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.5	-177.7	-58	169.3	0	0	0	108.4	L177 A178 A215 I216 A309 I311 L324 T326	L177-I250 HydrophobicContact CD1-CG2 4.4Å; A178-I250 CarbonylContact O-C 3.58Å; A178-I250 WeakPolarHBondContact O-CA 3.04Å; A215-I250 VanDerWaalsContact CA-O 3.29Å; A215-I250 WeakPolarHBondContact CA-O 3.35Å; I216-I250 HydrophobicContact CD1-CB 4.37Å; I216-I250 HydrophobicContact CD1-CD1 4.19Å; I216-I250 HydrophobicContact CG1-CB 3.83Å; I216-I250 HydrophobicContact CG1-CD1 4.37Å; I216-I250 HydrophobicContact CG1-CG1 4.47Å; I216-I250 PolarHBondContact N-O 3.36Å; I216-I250 PolarHBondContact O-N 3.06Å; I250-A309 HydrophobicContact CD1-CB 3.81Å; I250-I311 HydrophobicContact CD1-CD1 3.78Å; I250-L324 HydrophobicContact CD1-CD1 4.2Å; I250-L324 HydrophobicContact CD1-CD2 4.08Å; I250-L324 HydrophobicContact CD1-CG 4.28Å; I250-L324 HydrophobicContact CG1-CD2 4.22Å; I250-T326 HydrophobicContact CD1-CG2 3.95Å
251	I	98.9	Very high	98.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.4	171.4	-56.2	168.9	0	0	0	107.3	A69 L71 F162 L177 A178 I207 R209 H213 L214	A69-I251 HydrophobicContact CB-CD1 3.6Å; L71-I251 HydrophobicContact CD1-CB 4.3Å; L71-I251 HydrophobicContact CD1-CD1 4.49Å; L71-I251 HydrophobicContact CD1-CG2 3.91Å; L71-I251 HydrophobicContact CD2-CG2 4.16Å; F162-I251 HydrophobicContact CZ-CD1 4.19Å; L177-I251 WeakPolarHBondContact CA-O 3.32Å; L177-I251 WeakPolarHBondContact CB-O 3.48Å; A178-I251 PolarHBondContact N-O 3.46Å; A178-I251 PolarHBondContact O-N 2.96Å; I207-I251 HydrophobicContact CG2-CD1 3.65Å; I207-I251 HydrophobicContact CG2-CG1 3.81Å; R209-I251 HydrophobicContact CB-CG2 4.3Å; H213-I251 HydrophobicContact CB-CG2 3.82Å; L214-I251 WeakPolarHBondContact O-CA 3.23Å
252	S	98.5	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-171.7	-174	69.6	0	0	0	0	111.2	H213 L214 F254	H213-S252 CarbonylContact C-O 3.35Å; H213-S252 VanDerWaalsContact CA-O 3.25Å; H213-S252 WeakPolarHBondContact CA-O 3.16Å; H213-S252 WeakPolarHBondContact CB-O 3.43Å; L214-S252 PolarHBondContact N-O 2.65Å; L214-S252 PolarHBondContact O-N 3.14Å; S252-F254 WeakPolarHBondContact OG-CB 3.18Å; S252-F254 WeakPolarHBondContact OG-CD2 3.45Å; S252-F254 WeakPolarHBondContact OG-CG 3.49Å; S252-F254 PolarHBondContact OG-N 3.3Å
253	D	98.1	Very high	98.6	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	18%	0.175	C	C	.	.			trans	-121.6	34.3	168.8	57.9	-12.9	0	0	0	110.6	Y167 R175 P273	Y167-D253 WeakPolarHBondContact CE1-OD1 3.34Å; Y167-D253 PolarHBondContact OH-OD1 3.5Å; Y167-D253 PolarHBondContact OH-OD2 2.85Å; R175-D253 IonicContact CZ-OD2 3.94Å; R175-D253 IonicContact NH1-OD2 3.53Å; R175-D253 PolarHBondContact NH1-OD2 2.85Å; D253-P273 WeakPolarHBondContact O-CG 3.48Å
254	F	98.6	Very high	98.5	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.048	20%	0.2	C	C	.	.			trans	-65.1	150.8	178.8	-70.2	-12.2	0	0	0	112.7	L177 S252 Y270 A271 V272 A310 I311	L177-F254 HydrophobicContact CD1-CZ 3.97Å; L177-F254 HydrophobicContact CD2-CE1 4.01Å; L177-F254 HydrophobicContact CD2-CZ 4.06Å; S252-F254 WeakPolarHBondContact OG-CB 3.18Å; S252-F254 WeakPolarHBondContact OG-CD2 3.45Å; S252-F254 WeakPolarHBondContact OG-CG 3.49Å; S252-F254 PolarHBondContact OG-N 3.3Å; F254-Y270 HydrophobicContact CB-CD1 4.15Å; F254-A271 VanDerWaalsContact CA-O 3.31Å; F254-A271 WeakPolarHBondContact CA-O 3.15Å; F254-A271 VanDerWaalsContact CB-O 3.28Å; F254-A271 WeakPolarHBondContact CB-O 3.36Å; F254-V272 HydrophobicContact CD1-CG1 4.09Å; F254-V272 HydrophobicContact CE1-CG1 3.59Å; F254-A310 WeakPolarHBondContact CZ-O 3.43Å; F254-I311 HydrophobicContact CE2-CD1 4.07Å; F254-I311 HydrophobicContact CZ-CD1 4.48Å
255	E	98.6	Very high	98.5	Very high	102 Å²	102	35.5 Å²	35.5	48%	0.477	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	164.3	166.3	-67.6	-171.2	178.8	0	0	110.1	Y270 A271 P273 I276	E255-Y270 VanDerWaalsContact O-CA 3.31Å; E255-Y270 WeakPolarHBondContact O-CA 3.25Å; E255-A271 PolarHBondContact N-O 2.82Å; E255-A271 PolarHBondContact O-N 3.32Å; E255-A271 VanDerWaalsContact O-N 3.11Å; E255-P273 HydrophobicContact CG-CB 4.07Å; E255-P273 HydrophobicContact CG-CG 4.11Å; E255-I276 HydrophobicContact CB-CB 4.24Å; E255-I276 HydrophobicContact CB-CG1 4.05Å; E255-I276 HydrophobicContact CB-CG2 4.45Å; E255-I276 WeakPolarHBondContact O-CD1 3.3Å
256	S	98.7	Very high	98.5	Very high	53 Å²	53	40.2 Å²	40.2	37%	0.371	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153	177.8	61	0	0	0	0	114.4	V269 Y270	S256-V269 WeakPolarHBondContact CA-O 3.3Å; S256-V269 WeakPolarHBondContact CB-O 3.45Å; S256-Y270 VanDerWaalsContact CB-CE1 3.46Å
257	V	98.8	Very high	98.5	Very high	40 Å²	40	40.2 Å²	40.2	24%	0.242	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144	165	-70.2	0	0	0	0	108.5	S268 V269 I276 A279 L283	V257-S268 CarbonylContact O-C 3.53Å; V257-S268 WeakPolarHBondContact O-CA 3.36Å; V257-V269 HydrophobicContact CG2-CB 4.19Å; V257-V269 PolarHBondContact N-O 2.98Å; V257-V269 VanDerWaalsContact N-O 3.14Å; V257-V269 PolarHBondContact O-N 3Å; V257-I276 HydrophobicContact CG1-CG1 4.19Å; V257-I276 HydrophobicContact CG2-CD1 4.35Å; V257-A279 HydrophobicContact CG2-CB 3.66Å; V257-L283 HydrophobicContact CB-CD2 4.1Å; V257-L283 HydrophobicContact CG2-CD2 3.91Å
258	S	98.8	Very high	98.5	Very high	55 Å²	55	40.3 Å²	40.3	39%	0.385	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.9	-174.8	-58.6	0	0	0	0	112.9	K266 V267 S268	S258-K266 VanDerWaalsContact OG-CE 3.29Å; S258-K266 WeakPolarHBondContact OG-CE 3.19Å; S258-V267 CarbonylContact C-O 3.45Å; S258-V267 WeakPolarHBondContact CA-O 3.45Å; S258-S268 WeakPolarHBondContact OG-CB 3.46Å; S258-S268 PolarHBondContact OG-OG 3.41Å
259	K	98.8	Very high	98.5	Very high	87 Å²	87	40.3 Å²	40.3	38%	0.378	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.7	172.1	-167.7	171.4	-175.2	-175.1	0	108.9	V267 L283 D284 V287	K259-V267 PolarHBondContact N-O 2.9Å; K259-V267 PolarHBondContact O-N 2.93Å; K259-V267 VanDerWaalsContact O-O 3.09Å; K259-L283 HydrophobicContact CB-CD1 3.91Å; K259-L283 HydrophobicContact CB-CD2 4.03Å; K259-L283 HydrophobicContact CB-CG 3.97Å; K259-D284 IonicContact NZ-OD1 2.82Å; K259-D284 PolarHBondContact NZ-OD1 2.8Å; K259-V287 HydrophobicContact CB-CG2 3.93Å; K259-V287 HydrophobicContact CD-CB 4.47Å; K259-V287 HydrophobicContact CD-CG1 4.49Å; K259-V287 HydrophobicContact CD-CG2 4.02Å; K259-V287 HydrophobicContact CG-CG2 4.06Å
260	I	98.7	Very high	98.5	Very high	114 Å²	114	41.4 Å²	41.4	59%	0.585	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.1	-180	-54.2	-178.7	0	0	0	108	V265	I260-V265 WeakPolarHBondContact CA-O 3.41Å
261	T	98.6	Very high	98.5	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	23%	0.227	C	C	.	.			trans	-70.2	166.4	173.6	65	0	0	0	0	111.4	S263 G264 V265 V267 V287 L290 E291	T261-S263 PolarHBondContact O-N 3.38Å; T261-S263 PolarHBondContact OG1-N 3.4Å; T261-S263 PolarHBondContact OG1-OG 3.36Å; T261-G264 PolarHBondContact O-N 3.15Å; T261-G264 PolarHBondContact OG1-N 3.47Å; T261-V265 HydrophobicContact CG2-CB 4.15Å; T261-V265 PolarHBondContact N-O 2.91Å; T261-V265 WeakPolarHBondContact OG1-CB 3.43Å; T261-V265 PolarHBondContact OG1-N 3.22Å; T261-V267 HydrophobicContact CG2-CG2 3.87Å; T261-V287 HydrophobicContact CG2-CG1 4.28Å; T261-V287 HydrophobicContact CG2-CG2 4.5Å; T261-L290 HydrophobicContact CG2-CD2 4.03Å; T261-E291 VanDerWaalsContact CA-OE1 3.31Å; T261-E291 WeakPolarHBondContact CA-OE1 3.41Å; T261-E291 HydrophobicContact CG2-CG 4.22Å
262	K	97.6	Very high	98.5	Very high	123 Å²	123	41.5 Å²	41.5	54%	0.535	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.2	170.3	72.2	-169.6	-178.2	178.6	0	113.7	G264 E291 D295	K262-G264 VanDerWaalsContact C-N 3.32Å; K262-E291 HydrophobicContact CD-CB 4.31Å; K262-E291 HydrophobicContact CD-CG 4.02Å; K262-E291 HydrophobicContact CG-CG 3.92Å; K262-E291 PolarHBondContact N-OE1 3.37Å; K262-D295 WeakPolarHBondContact CE-OD1 3.48Å; K262-D295 IonicContact NZ-OD1 3.21Å; K262-D295 PolarHBondContact NZ-OD1 3.08Å; K262-D295 IonicContact NZ-OD2 3.75Å; K262-D295 PolarHBondContact NZ-OD2 3.13Å
263	S	96.7	Very high	98.5	Very high	60 Å²	60	43.4 Å²	43.4	42%	0.42	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.8	176.5	50.2	0	0	0	0	113.3	T261 E294	T261-S263 PolarHBondContact O-N 3.38Å; T261-S263 PolarHBondContact OG1-N 3.4Å; T261-S263 PolarHBondContact OG1-OG 3.36Å; S263-E294 WeakPolarHBondContact CB-OE2 3.15Å; S263-E294 PolarHBondContact OG-OE1 3.17Å; S263-E294 PolarHBondContact OG-OE2 3.48Å
264	G	98.3	Very high	98.5	Very high	51 Å²	51	44.1 Å²	44.1	53%	0.526	24%	0.244	S	C	.	.			trans	93	8	177.8	0	0	0	0	0	114.8	T261 K262	T261-G264 PolarHBondContact O-N 3.15Å; T261-G264 PolarHBondContact OG1-N 3.47Å; K262-G264 VanDerWaalsContact C-N 3.32Å
265	V	98.8	Very high	98.5	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.048	26%	0.255	C	S	.	.			trans	-75.7	127.7	177	-177	0	0	0	0	109.4	I260 T261 V267 L290 Y301	I260-V265 WeakPolarHBondContact CA-O 3.41Å; T261-V265 HydrophobicContact CG2-CB 4.15Å; T261-V265 PolarHBondContact N-O 2.91Å; T261-V265 WeakPolarHBondContact OG1-CB 3.43Å; T261-V265 PolarHBondContact OG1-N 3.22Å; V265-V267 PolarHBondContact O-N 2.91Å; V265-L290 HydrophobicContact CB-CD2 4.33Å; V265-L290 HydrophobicContact CG1-CD2 4.01Å; V265-Y301 HydrophobicContact CG1-CD1 3.84Å; V265-Y301 HydrophobicContact CG1-CE1 4Å; V265-Y301 HydrophobicContact CG2-CD1 3.94Å
266	K	98.8	Very high	98.4	Very high	100 Å²	100	42.9 Å²	42.9	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.8	174	-174.1	-176.8	178	-173.4	0	109.9	S258 P304 K305 Q306	S258-K266 VanDerWaalsContact OG-CE 3.29Å; S258-K266 WeakPolarHBondContact OG-CE 3.19Å; K266-P304 PolarHBondContact N-O 2.89Å; K266-P304 VanDerWaalsContact N-O 3.08Å; K266-K305 HydrophobicContact CB-CB 4.22Å; K266-K305 CarbonylContact O-C 3.53Å; K266-K305 WeakPolarHBondContact O-CA 3.49Å; K266-K305 VanDerWaalsContact O-CB 3.3Å; K266-K305 WeakPolarHBondContact O-CB 3.49Å; K266-Q306 PolarHBondContact O-N 2.95Å
267	V	98.9	Very high	98.4	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.8	173.8	-175.7	0	0	0	0	108.9	S258 K259 T261 V265 L283 A286 V287 L290 Q306 L308	S258-V267 CarbonylContact C-O 3.45Å; S258-V267 WeakPolarHBondContact CA-O 3.45Å; K259-V267 PolarHBondContact N-O 2.9Å; K259-V267 PolarHBondContact O-N 2.93Å; K259-V267 VanDerWaalsContact O-O 3.09Å; T261-V267 HydrophobicContact CG2-CG2 3.87Å; V265-V267 PolarHBondContact O-N 2.91Å; V267-L283 HydrophobicContact CB-CD1 4.23Å; V267-L283 HydrophobicContact CG1-CD1 3.93Å; V267-A286 HydrophobicContact CG1-CB 3.98Å; V267-V287 HydrophobicContact CB-CG2 3.87Å; V267-V287 HydrophobicContact CG1-CG2 4.3Å; V267-V287 HydrophobicContact CG2-CG2 3.89Å; V267-L290 HydrophobicContact CG2-CD2 4.04Å; V267-Q306 VanDerWaalsContact CA-O 3.27Å; V267-Q306 WeakPolarHBondContact CA-O 3.33Å; V267-L308 HydrophobicContact CG1-CD1 3.64Å
268	S	98.9	Very high	98.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.8	175.5	-39.5	0	0	0	0	111.6	V257 S258 Q306 D307 L308	V257-S268 CarbonylContact O-C 3.53Å; V257-S268 WeakPolarHBondContact O-CA 3.36Å; S258-S268 WeakPolarHBondContact OG-CB 3.46Å; S258-S268 PolarHBondContact OG-OG 3.41Å; S268-Q306 PolarHBondContact N-O 2.92Å; S268-D307 WeakPolarHBondContact CB-OD1 3.35Å; S268-D307 CarbonylContact O-C 3.42Å; S268-D307 VanDerWaalsContact O-CA 3.31Å; S268-D307 WeakPolarHBondContact O-CA 3.5Å; S268-D307 PolarHBondContact OG-OD1 3.06Å; S268-L308 PolarHBondContact O-N 3.02Å
269	V	98.9	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.2	169.9	-178.8	0	0	0	0	108.4	S256 V257 A279 A282 L283 L308 L332	S256-V269 WeakPolarHBondContact CA-O 3.3Å; S256-V269 WeakPolarHBondContact CB-O 3.45Å; V257-V269 HydrophobicContact CG2-CB 4.19Å; V257-V269 PolarHBondContact N-O 2.98Å; V257-V269 VanDerWaalsContact N-O 3.14Å; V257-V269 PolarHBondContact O-N 3Å; V269-A279 HydrophobicContact CB-CB 3.89Å; V269-A279 HydrophobicContact CG1-CB 3.52Å; V269-A282 HydrophobicContact CG2-CB 4.37Å; V269-L283 HydrophobicContact CG2-CB 3.8Å; V269-L283 HydrophobicContact CG2-CD1 4.24Å; V269-L308 CarbonylContact C-O 3.59Å; V269-L308 VanDerWaalsContact CA-O 3.3Å; V269-L308 WeakPolarHBondContact CA-O 3.38Å; V269-L308 HydrophobicContact CG2-CB 4.27Å; V269-L308 HydrophobicContact CG2-CD1 4.45Å; V269-L332 HydrophobicContact CG1-CD2 3.82Å; V269-L332 HydrophobicContact CG1-CG 4.29Å
270	Y	98.9	Very high	98.4	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.094	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.8	176.7	-73.1	-97	0	0	0	110.6	L214 I216 F254 E255 S256 D307 L308 A310	L214-Y270 HydrophobicContact CD2-CD1 4.23Å; L214-Y270 HydrophobicContact CD2-CE1 3.65Å; I216-Y270 HydrophobicContact CD1-CD1 4.2Å; I216-Y270 HydrophobicContact CD1-CD2 4.12Å; I216-Y270 HydrophobicContact CD1-CE1 4.46Å; I216-Y270 HydrophobicContact CD1-CE2 4.36Å; I216-Y270 HydrophobicContact CD1-CG 4.03Å; I216-Y270 HydrophobicContact CG2-CE1 4.15Å; F254-Y270 HydrophobicContact CB-CD1 4.15Å; E255-Y270 VanDerWaalsContact O-CA 3.31Å; E255-Y270 WeakPolarHBondContact O-CA 3.25Å; S256-Y270 VanDerWaalsContact CB-CE1 3.46Å; Y270-D307 HydrophobicContact CD2-CB 4.11Å; Y270-D307 HydrophobicContact CE2-CB 3.98Å; Y270-L308 PolarHBondContact N-O 3.08Å; Y270-A310 PolarHBondContact O-N 3Å
271	A	98.8	Very high	98.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	170.2	175.1	0	0	0	0	0	110.7	F254 E255 I276 A310 L333	F254-A271 VanDerWaalsContact CA-O 3.31Å; F254-A271 WeakPolarHBondContact CA-O 3.15Å; F254-A271 VanDerWaalsContact CB-O 3.28Å; F254-A271 WeakPolarHBondContact CB-O 3.36Å; E255-A271 PolarHBondContact N-O 2.82Å; E255-A271 PolarHBondContact O-N 3.32Å; E255-A271 VanDerWaalsContact O-N 3.11Å; A271-I276 HydrophobicContact CB-CD1 4.08Å; A271-A310 HydrophobicContact CB-CB 4.3Å; A271-L333 HydrophobicContact CB-CD1 4.36Å; A271-L333 HydrophobicContact CB-CD2 4.06Å
272	V	98.4	Very high	98.4	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.212	C	C	.	.			trans	-56.6	143.3	167.9	-62.5	0	0	0	0	110.1	Y167 F254 D274 K275 I276 P312	Y167-V272 HydrophobicContact CD1-CG1 3.6Å; Y167-V272 HydrophobicContact CD2-CB 4.07Å; Y167-V272 HydrophobicContact CD2-CG1 3.72Å; Y167-V272 HydrophobicContact CE1-CG1 3.77Å; Y167-V272 HydrophobicContact CE2-CB 3.97Å; Y167-V272 HydrophobicContact CE2-CG1 3.88Å; Y167-V272 HydrophobicContact CG-CB 4.43Å; Y167-V272 HydrophobicContact CG-CG1 3.57Å; F254-V272 HydrophobicContact CD1-CG1 4.09Å; F254-V272 HydrophobicContact CE1-CG1 3.59Å; V272-D274 PolarHBondContact O-N 2.91Å; V272-K275 HydrophobicContact CG2-CB 3.79Å; V272-K275 HydrophobicContact CG2-CD 3.7Å; V272-K275 HydrophobicContact CG2-CG 3.67Å; V272-K275 PolarHBondContact O-N 2.92Å; V272-I276 PolarHBondContact O-N 2.88Å; V272-P312 HydrophobicContact CG1-CG 4.01Å
273	P	98.2	Very high	98.4	Very high	41 Å²	41	34.2 Å²	34.2	27%	0.266	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-50.9	-40	-174.6	-28.2	32.8	0	0	0	113.6	D253 E255 K275 I276	D253-P273 WeakPolarHBondContact O-CG 3.48Å; E255-P273 HydrophobicContact CG-CB 4.07Å; E255-P273 HydrophobicContact CG-CG 4.11Å; P273-K275 PolarHBondContact O-N 3.01Å; P273-I276 WeakPolarHBondContact O-CG2 3.47Å
274	D	97.9	Very high	98.5	Very high	46 Å²	46	34.9 Å²	34.9	25%	0.246	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-68.5	-15	-177.8	-84.4	-38.2	0	0	0	115.6	T169 K170 V272	T169-D274 WeakPolarHBondContact CA-OD2 3.48Å; K170-D274 VanDerWaalsContact CD-OD1 3.29Å; K170-D274 WeakPolarHBondContact CD-OD1 3.16Å; K170-D274 VanDerWaalsContact CE-OD1 3.28Å; K170-D274 WeakPolarHBondContact CE-OD1 3.49Å; K170-D274 PolarHBondContact N-OD2 2.8Å; K170-D274 IonicContact NZ-OD1 3.54Å; K170-D274 PolarHBondContact NZ-OD1 3.44Å; V272-D274 PolarHBondContact O-N 2.91Å
275	K	97.9	Very high	98.5	Very high	65 Å²	65	32.5 Å²	32.5	28%	0.283	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-121	2.9	-176.1	-59.4	-179.7	-175.6	162.3	0	113.7	V272 P273 N277 Q278 E329 L333	V272-K275 HydrophobicContact CG2-CB 3.79Å; V272-K275 HydrophobicContact CG2-CD 3.7Å; V272-K275 HydrophobicContact CG2-CG 3.67Å; V272-K275 PolarHBondContact O-N 2.92Å; P273-K275 PolarHBondContact O-N 3.01Å; K275-N277 PolarHBondContact O-N 3.26Å; K275-N277 VanDerWaalsContact O-N 3.14Å; K275-Q278 WeakPolarHBondContact O-CB 3.4Å; K275-Q278 PolarHBondContact O-N 3.19Å; K275-E329 IonicContact NZ-OE1 2.75Å; K275-E329 PolarHBondContact NZ-OE1 2.82Å; K275-E329 IonicContact NZ-OE2 3.58Å; K275-E329 PolarHBondContact NZ-OE2 2.91Å; K275-L333 HydrophobicContact CB-CD1 3.85Å; K275-L333 HydrophobicContact CD-CD1 3.98Å
276	I	98.3	Very high	98.5	Very high	22 Å²	22	32.2 Å²	32.2	11%	0.113	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.1	-176.9	-167.5	56.5	0	0	0	112.9	E255 V257 A271 V272 P273 Q278 A279	E255-I276 HydrophobicContact CB-CB 4.24Å; E255-I276 HydrophobicContact CB-CG1 4.05Å; E255-I276 HydrophobicContact CB-CG2 4.45Å; E255-I276 WeakPolarHBondContact O-CD1 3.3Å; V257-I276 HydrophobicContact CG1-CG1 4.19Å; V257-I276 HydrophobicContact CG2-CD1 4.35Å; A271-I276 HydrophobicContact CB-CD1 4.08Å; V272-I276 PolarHBondContact O-N 2.88Å; P273-I276 WeakPolarHBondContact O-CG2 3.47Å; I276-Q278 PolarHBondContact O-N 2.9Å; I276-Q278 VanDerWaalsContact O-N 3.13Å; I276-A279 HydrophobicContact CD1-CB 4.04Å; I276-A279 WeakPolarHBondContact O-CB 3.28Å; I276-A279 PolarHBondContact O-N 2.92Å; I276-A279 VanDerWaalsContact O-N 3.12Å
277	N	97.6	Very high	98.6	Very high	117 Å²	117	27.8 Å²	27.8	63%	0.626	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-65.4	-9.4	173.9	66.7	-25.2	0	0	0	114.7	K275	K275-N277 PolarHBondContact O-N 3.26Å; K275-N277 VanDerWaalsContact O-N 3.14Å
278	Q	98.3	Very high	98.5	Very high	44 Å²	44	30.4 Å²	30.4	21%	0.206	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-95.8	1.2	176.1	-62.3	174.9	33.9	0	0	112.7	K275 I276 L333 F334 D335	K275-Q278 WeakPolarHBondContact O-CB 3.4Å; K275-Q278 PolarHBondContact O-N 3.19Å; I276-Q278 PolarHBondContact O-N 2.9Å; I276-Q278 VanDerWaalsContact O-N 3.13Å; Q278-L333 HydrophobicContact CB-CB 3.91Å; Q278-L333 HydrophobicContact CB-CD2 4.47Å; Q278-F334 WeakPolarHBondContact CA-O 3.47Å; Q278-F334 WeakPolarHBondContact CB-O 3.43Å; Q278-F334 PolarHBondContact O-N 2.81Å; Q278-D335 HydrophobicContact CG-CB 4.27Å
279	A	98.6	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.			trans	-84.8	-19.8	-173.2	0	0	0	0	0	114.3	V257 V269 I276 Y281 A282 L283 L333	V257-A279 HydrophobicContact CG2-CB 3.66Å; V269-A279 HydrophobicContact CB-CB 3.89Å; V269-A279 HydrophobicContact CG1-CB 3.52Å; I276-A279 HydrophobicContact CD1-CB 4.04Å; I276-A279 WeakPolarHBondContact O-CB 3.28Å; I276-A279 PolarHBondContact O-N 2.92Å; I276-A279 VanDerWaalsContact O-N 3.12Å; A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.21Å; A279-A282 PolarHBondContact O-N 2.74Å; A279-A282 VanDerWaalsContact O-N 3.15Å; A279-L283 PolarHBondContact O-N 3.04Å; A279-L333 HydrophobicContact CB-CD2 4.5Å
280	D	98.6	Very high	98.5	Very high	90 Å²	90	30.4 Å²	30.4	48%	0.481	16%	0.159	S	C	.	.	H	α-helix	trans	-58.3	-41.3	-169.8	-70.2	-18.1	0	0	0	112.8	A282 L283 D284	D280-A282 PolarHBondContact O-N 3.46Å; D280-L283 PolarHBondContact O-N 2.95Å; D280-D284 PolarHBondContact O-N 2.74Å
281	Y	98.6	Very high	98.5	Very high	34 Å²	34	31.4 Å²	31.4	13%	0.133	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-46.5	178.7	177.8	-112.3	0	0	0	112.2	A279 L283 D284 A285 F334 K344 I347 T348	A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.21Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-L283 PolarHBondContact O-N 3.31Å; Y281-D284 PolarHBondContact O-N 3.26Å; Y281-A285 WeakPolarHBondContact O-CB 3.38Å; Y281-A285 PolarHBondContact O-N 3.1Å; Y281-F334 HydrophobicContact CD1-CB 3.97Å; Y281-F334 HydrophobicContact CD1-CG 4.12Å; Y281-F334 HydrophobicContact CG-CB 4.26Å; Y281-F334 HydrophobicContact CG-CD1 4.23Å; Y281-F334 HydrophobicContact CG-CG 4.26Å; Y281-K344 HydrophobicContact CD1-CG 4.42Å; Y281-K344 HydrophobicContact CE1-CG 3.7Å; Y281-K344 HydrophobicContact CE2-CD 4.41Å; Y281-K344 HydrophobicContact CE2-CG 4.32Å; Y281-K344 VanDerWaalsContact CZ-CE 3.41Å; Y281-I347 HydrophobicContact CD1-CG2 4.03Å; Y281-I347 HydrophobicContact CE1-CB 4.32Å; Y281-I347 HydrophobicContact CE1-CG2 4.03Å; Y281-T348 PolarHBondContact OH-OG1 3.32Å
282	A	98.7	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.5	-36.2	178.3	0	0	0	0	0	111.9	V269 A279 D280 A285 A286 L332 I347	V269-A282 HydrophobicContact CG2-CB 4.37Å; A279-A282 PolarHBondContact O-N 2.74Å; A279-A282 VanDerWaalsContact O-N 3.15Å; D280-A282 PolarHBondContact O-N 3.46Å; A282-A285 PolarHBondContact O-N 2.89Å; A282-A286 WeakPolarHBondContact O-CB 3.27Å; A282-A286 PolarHBondContact O-N 3Å; A282-L332 HydrophobicContact CB-CD1 3.58Å; A282-L332 HydrophobicContact CB-CG 3.98Å; A282-L332 VanDerWaalsContact CB-O 3.28Å; A282-L332 WeakPolarHBondContact CB-O 3.26Å; A282-I347 HydrophobicContact CB-CG2 4.47Å
283	L	98.9	Very high	98.6	Very high	11 Å²	11	32.4 Å²	32.4	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-47.1	176.1	179.4	61.4	0	0	0	111.4	V257 K259 V267 V269 A279 D280 Y281 A286 V287	V257-L283 HydrophobicContact CB-CD2 4.1Å; V257-L283 HydrophobicContact CG2-CD2 3.91Å; K259-L283 HydrophobicContact CB-CD1 3.91Å; K259-L283 HydrophobicContact CB-CD2 4.03Å; K259-L283 HydrophobicContact CB-CG 3.97Å; V267-L283 HydrophobicContact CB-CD1 4.23Å; V267-L283 HydrophobicContact CG1-CD1 3.93Å; V269-L283 HydrophobicContact CG2-CB 3.8Å; V269-L283 HydrophobicContact CG2-CD1 4.24Å; A279-L283 PolarHBondContact O-N 3.04Å; D280-L283 PolarHBondContact O-N 2.95Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-L283 PolarHBondContact O-N 3.31Å; L283-A286 PolarHBondContact O-N 3.49Å; L283-V287 WeakPolarHBondContact O-CG2 3.29Å; L283-V287 PolarHBondContact O-N 3.09Å; L283-V287 VanDerWaalsContact O-N 3.09Å
284	D	98.8	Very high	98.6	Very high	75 Å²	75	31.2 Å²	31.2	40%	0.401	16%	0.159	S	C	.	.	H	α-helix	trans	-67.2	-42.2	178.8	-79.3	-26	0	0	0	112.4	K259 D280 Y281 T288	K259-D284 IonicContact NZ-OD1 2.82Å; K259-D284 PolarHBondContact NZ-OD1 2.8Å; D280-D284 PolarHBondContact O-N 2.74Å; Y281-D284 PolarHBondContact O-N 3.26Å; D284-T288 PolarHBondContact O-N 3.43Å; D284-T288 VanDerWaalsContact O-N 3.15Å; D284-T288 PolarHBondContact O-OG1 2.92Å
285	A	98.8	Very high	98.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-46.1	175.6	0	0	0	0	0	111.1	Y281 A282 V287 T288 L289	Y281-A285 WeakPolarHBondContact O-CB 3.38Å; Y281-A285 PolarHBondContact O-N 3.1Å; A282-A285 PolarHBondContact O-N 2.89Å; A285-V287 PolarHBondContact O-N 3.35Å; A285-T288 PolarHBondContact O-N 3.12Å; A285-L289 HydrophobicContact CB-CD1 4.46Å; A285-L289 VanDerWaalsContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CB 3.45Å; A285-L289 WeakPolarHBondContact O-CD1 3.49Å; A285-L289 VanDerWaalsContact O-CG 3.3Å; A285-L289 WeakPolarHBondContact O-CG 3.41Å; A285-L289 PolarHBondContact O-N 3.18Å
286	A	98.9	Very high	98.6	Very high	1 Å²	1	32 Å²	32	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-42.9	-179.1	0	0	0	0	0	112.5	V267 A282 L283 L290 L308 V351 L355	V267-A286 HydrophobicContact CG1-CB 3.98Å; A282-A286 WeakPolarHBondContact O-CB 3.27Å; A282-A286 PolarHBondContact O-N 3Å; L283-A286 PolarHBondContact O-N 3.49Å; A286-L290 VanDerWaalsContact O-CB 3.22Å; A286-L290 WeakPolarHBondContact O-CB 3.42Å; A286-L290 PolarHBondContact O-N 3.1Å; A286-L308 HydrophobicContact CB-CD1 3.97Å; A286-L308 HydrophobicContact CB-CD2 3.8Å; A286-V351 HydrophobicContact CB-CG1 3.84Å; A286-L355 HydrophobicContact CB-CD1 4.15Å; A286-L355 WeakPolarHBondContact O-CD1 3.45Å
287	V	98.9	Very high	98.6	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-48.5	175.1	166.7	0	0	0	0	110.8	K259 T261 V267 L283 A285 L289 L290 E291	K259-V287 HydrophobicContact CB-CG2 3.93Å; K259-V287 HydrophobicContact CD-CB 4.47Å; K259-V287 HydrophobicContact CD-CG1 4.49Å; K259-V287 HydrophobicContact CD-CG2 4.02Å; K259-V287 HydrophobicContact CG-CG2 4.06Å; T261-V287 HydrophobicContact CG2-CG1 4.28Å; T261-V287 HydrophobicContact CG2-CG2 4.5Å; V267-V287 HydrophobicContact CB-CG2 3.87Å; V267-V287 HydrophobicContact CG1-CG2 4.3Å; V267-V287 HydrophobicContact CG2-CG2 3.89Å; L283-V287 WeakPolarHBondContact O-CG2 3.29Å; L283-V287 PolarHBondContact O-N 3.09Å; L283-V287 VanDerWaalsContact O-N 3.09Å; A285-V287 PolarHBondContact O-N 3.35Å; V287-L289 PolarHBondContact O-N 3.13Å; V287-L290 PolarHBondContact O-N 2.9Å; V287-E291 WeakPolarHBondContact O-CB 3.29Å; V287-E291 VanDerWaalsContact O-CG 3.27Å; V287-E291 WeakPolarHBondContact O-CG 3.37Å; V287-E291 PolarHBondContact O-N 2.97Å; V287-E291 VanDerWaalsContact O-N 3.09Å
288	T	98.8	Very high	98.6	Very high	57 Å²	57	29.4 Å²	29.4	35%	0.35	16%	0.158	S	C	.	.	H	α-helix	trans	-63.9	-42.6	-178.1	-52.4	0	0	0	0	111.9	D284 A285 F292 T390	D284-T288 PolarHBondContact O-N 3.43Å; D284-T288 VanDerWaalsContact O-N 3.15Å; D284-T288 PolarHBondContact O-OG1 2.92Å; A285-T288 PolarHBondContact O-N 3.12Å; T288-F292 PolarHBondContact O-N 2.89Å; T288-T390 HydrophobicContact CG2-CG2 3.93Å
289	L	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.8	-41.3	179.4	-75.7	162.1	0	0	0	112.2	A285 V287 E291 F292 Y293 V351 A352 L355 V387 T390	A285-L289 HydrophobicContact CB-CD1 4.46Å; A285-L289 VanDerWaalsContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CB 3.45Å; A285-L289 WeakPolarHBondContact O-CD1 3.49Å; A285-L289 VanDerWaalsContact O-CG 3.3Å; A285-L289 WeakPolarHBondContact O-CG 3.41Å; A285-L289 PolarHBondContact O-N 3.18Å; V287-L289 PolarHBondContact O-N 3.13Å; L289-E291 VanDerWaalsContact C-N 3.35Å; L289-E291 PolarHBondContact O-N 3.08Å; L289-F292 WeakPolarHBondContact O-CB 3.48Å; L289-F292 PolarHBondContact O-N 3.27Å; L289-Y293 HydrophobicContact CB-CE2 4.47Å; L289-Y293 WeakPolarHBondContact O-CD2 3.42Å; L289-Y293 PolarHBondContact O-N 3.3Å; L289-V351 HydrophobicContact CD1-CB 4.32Å; L289-V351 HydrophobicContact CD1-CG1 3.87Å; L289-A352 HydrophobicContact CD1-CB 3.89Å; L289-A352 HydrophobicContact CD2-CB 3.87Å; L289-L355 HydrophobicContact CB-CD1 3.73Å; L289-V387 HydrophobicContact CD2-CG2 4.24Å; L289-T390 HydrophobicContact CD2-CG2 4.11Å
290	L	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-44.2	177.7	-172	62	0	0	0	110.9	T261 V265 V267 A286 V287 F292 Y293 E294 Y301 Q306 L355 W359	T261-L290 HydrophobicContact CG2-CD2 4.03Å; V265-L290 HydrophobicContact CB-CD2 4.33Å; V265-L290 HydrophobicContact CG1-CD2 4.01Å; V267-L290 HydrophobicContact CG2-CD2 4.04Å; A286-L290 VanDerWaalsContact O-CB 3.22Å; A286-L290 WeakPolarHBondContact O-CB 3.42Å; A286-L290 PolarHBondContact O-N 3.1Å; V287-L290 PolarHBondContact O-N 2.9Å; L290-F292 VanDerWaalsContact C-N 3.33Å; L290-F292 PolarHBondContact O-N 2.95Å; L290-Y293 PolarHBondContact O-N 2.97Å; L290-E294 WeakPolarHBondContact O-CG 3.36Å; L290-E294 PolarHBondContact O-N 3.45Å; L290-Y301 HydrophobicContact CD1-CD2 4.05Å; L290-Y301 HydrophobicContact CD1-CG 4.09Å; L290-Q306 HydrophobicContact CD2-CB 4.43Å; L290-L355 HydrophobicContact CB-CD1 4.26Å; L290-L355 HydrophobicContact CD1-CD2 4.39Å; L290-W359 HydrophobicContact CD1-CH2 3.78Å; L290-W359 HydrophobicContact CD1-CZ3 4.02Å
291	E	98.8	Very high	98.6	Very high	45 Å²	45	28.9 Å²	28.9	21%	0.21	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-38.8	174.8	-71.5	-179.8	176.7	0	0	112.8	T261 K262 V287 L289 D295	T261-E291 VanDerWaalsContact CA-OE1 3.31Å; T261-E291 WeakPolarHBondContact CA-OE1 3.41Å; T261-E291 HydrophobicContact CG2-CG 4.22Å; K262-E291 HydrophobicContact CD-CB 4.31Å; K262-E291 HydrophobicContact CD-CG 4.02Å; K262-E291 HydrophobicContact CG-CG 3.92Å; K262-E291 PolarHBondContact N-OE1 3.37Å; V287-E291 WeakPolarHBondContact O-CB 3.29Å; V287-E291 VanDerWaalsContact O-CG 3.27Å; V287-E291 WeakPolarHBondContact O-CG 3.37Å; V287-E291 PolarHBondContact O-N 2.97Å; V287-E291 VanDerWaalsContact O-N 3.09Å; L289-E291 VanDerWaalsContact C-N 3.35Å; L289-E291 PolarHBondContact O-N 3.08Å; E291-D295 PolarHBondContact O-N 3.13Å
292	F	98.8	Very high	98.6	Very high	24 Å²	24	29.4 Å²	29.4	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-47.1	174	168.7	-90.9	0	0	0	111.3	T288 L289 L290 D295 Y296 V385 S386 V389 T390	T288-F292 PolarHBondContact O-N 2.89Å; L289-F292 WeakPolarHBondContact O-CB 3.48Å; L289-F292 PolarHBondContact O-N 3.27Å; L290-F292 VanDerWaalsContact C-N 3.33Å; L290-F292 PolarHBondContact O-N 2.95Å; F292-D295 PolarHBondContact O-N 3.34Å; F292-Y296 HydrophobicContact CE1-CD2 4.32Å; F292-Y296 HydrophobicContact CE1-CG 4.11Å; F292-Y296 HydrophobicContact CE2-CD2 4.09Å; F292-Y296 AromaticContact CZ-CD2 3.6Å; F292-Y296 HydrophobicContact CZ-CD2 3.6Å; F292-Y296 HydrophobicContact CZ-CE2 4.28Å; F292-Y296 AromaticContact CZ-CG 3.85Å; F292-Y296 HydrophobicContact CZ-CG 3.85Å; F292-Y296 WeakPolarHBondContact O-CB 3.38Å; F292-Y296 PolarHBondContact O-N 2.97Å; F292-V385 HydrophobicContact CZ-CG1 4.2Å; F292-S386 VanDerWaalsContact CE1-CA 3.42Å; F292-S386 VanDerWaalsContact CE1-CB 3.43Å; F292-V389 HydrophobicContact CD2-CB 4.17Å; F292-V389 HydrophobicContact CD2-CG1 3.94Å; F292-V389 HydrophobicContact CE2-CB 3.76Å; F292-V389 HydrophobicContact CE2-CG1 3.8Å; F292-V389 HydrophobicContact CE2-CG2 3.91Å; F292-V389 HydrophobicContact CZ-CG2 4.44Å; F292-T390 HydrophobicContact CB-CG2 3.74Å; F292-T390 HydrophobicContact CD2-CG2 4.26Å; F292-T390 HydrophobicContact CG-CG2 4.02Å
293	Y	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-39.5	-177.8	-71.7	-52.5	0	0	0	112.6	L289 L290 D295 Y296 F297 A352 L355 A356 W359 M382 S386	L289-Y293 HydrophobicContact CB-CE2 4.47Å; L289-Y293 WeakPolarHBondContact O-CD2 3.42Å; L289-Y293 PolarHBondContact O-N 3.3Å; L290-Y293 PolarHBondContact O-N 2.97Å; Y293-D295 PolarHBondContact O-N 2.94Å; Y293-Y296 PolarHBondContact O-N 3.49Å; Y293-F297 HydrophobicContact CD1-CD2 4.32Å; Y293-F297 AromaticContact CD1-CE2 3.42Å; Y293-F297 HydrophobicContact CD1-CE2 3.42Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.42Å; Y293-F297 AromaticContact CD1-CZ 3.89Å; Y293-F297 HydrophobicContact CD1-CZ 3.89Å; Y293-F297 HydrophobicContact CE1-CE2 4.25Å; Y293-F297 HydrophobicContact CE1-CZ 4.38Å; Y293-F297 HydrophobicContact CG-CE2 4.01Å; Y293-F297 WeakPolarHBondContact O-CB 3.36Å; Y293-F297 WeakPolarHBondContact O-CD2 3.44Å; Y293-F297 PolarHBondContact O-N 3.13Å; Y293-A352 PolarHBondContact OH-O 3.01Å; Y293-L355 HydrophobicContact CD2-CB 3.92Å; Y293-L355 HydrophobicContact CE2-CB 3.71Å; Y293-A356 HydrophobicContact CE1-CB 4.26Å; Y293-A356 HydrophobicContact CE2-CB 4.34Å; Y293-W359 HydrophobicContact CD2-CZ3 4.24Å; Y293-W359 HydrophobicContact CG-CE3 4.44Å; Y293-W359 HydrophobicContact CG-CZ3 4.08Å; Y293-M382 HydrophobicContact CE1-CB 4.11Å; Y293-M382 PolarHBondContact OH-O 3.29Å; Y293-S386 WeakPolarHBondContact OH-CB 3.2Å; Y293-S386 PolarHBondContact OH-OG 3.33Å
294	E	98.6	Very high	98.5	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-47.3	173.9	-70.3	-170.1	116.1	0	0	111.8	S263 L290 S298 I299 P300 Y301 W359	S263-E294 WeakPolarHBondContact CB-OE2 3.15Å; S263-E294 PolarHBondContact OG-OE1 3.17Å; S263-E294 PolarHBondContact OG-OE2 3.48Å; L290-E294 WeakPolarHBondContact O-CG 3.36Å; L290-E294 PolarHBondContact O-N 3.45Å; E294-S298 VanDerWaalsContact O-CA 3.25Å; E294-S298 WeakPolarHBondContact O-CA 3.22Å; E294-S298 PolarHBondContact O-N 3.15Å; E294-I299 PolarHBondContact O-N 3.32Å; E294-P300 WeakPolarHBondContact OE1-CA 3.03Å; E294-Y301 PolarHBondContact OE1-N 3.5Å; E294-W359 HydrophobicContact CG-CH2 4.04Å; E294-W359 HydrophobicContact CG-CZ2 3.93Å
295	D	98.3	Very high	98.5	Very high	95 Å²	95	29.6 Å²	29.6	51%	0.508	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-44.5	177.7	-71.5	-7.4	0	0	0	111.8	K262 E291 F292 Y293 S298	K262-D295 WeakPolarHBondContact CE-OD1 3.48Å; K262-D295 IonicContact NZ-OD1 3.21Å; K262-D295 PolarHBondContact NZ-OD1 3.08Å; K262-D295 IonicContact NZ-OD2 3.75Å; K262-D295 PolarHBondContact NZ-OD2 3.13Å; E291-D295 PolarHBondContact O-N 3.13Å; F292-D295 PolarHBondContact O-N 3.34Å; Y293-D295 PolarHBondContact O-N 2.94Å; D295-S298 PolarHBondContact O-N 3.43Å; D295-S298 PolarHBondContact O-OG 3.33Å
296	Y	98.2	Very high	98.6	Very high	32 Å²	32	29.6 Å²	29.6	13%	0.125	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-45.3	-174.4	-171.3	-92.9	0	0	0	110.8	F292 Y293 M382 V385 K458	F292-Y296 HydrophobicContact CE1-CD2 4.32Å; F292-Y296 HydrophobicContact CE1-CG 4.11Å; F292-Y296 HydrophobicContact CE2-CD2 4.09Å; F292-Y296 AromaticContact CZ-CD2 3.6Å; F292-Y296 HydrophobicContact CZ-CD2 3.6Å; F292-Y296 HydrophobicContact CZ-CE2 4.28Å; F292-Y296 AromaticContact CZ-CG 3.85Å; F292-Y296 HydrophobicContact CZ-CG 3.85Å; F292-Y296 WeakPolarHBondContact O-CB 3.38Å; F292-Y296 PolarHBondContact O-N 2.97Å; Y293-Y296 PolarHBondContact O-N 3.49Å; Y296-M382 HydrophobicContact CE1-CE 4.42Å; Y296-V385 HydrophobicContact CE1-CG1 4.49Å; Y296-V385 HydrophobicContact CE2-CG1 4.15Å; Y296-K458 HydrophobicContact CD2-CD 4.35Å; Y296-K458 HydrophobicContact CE1-CD 4.32Å; Y296-K458 HydrophobicContact CE1-CG 4.01Å; Y296-K458 HydrophobicContact CE2-CD 3.88Å; Y296-K458 HydrophobicContact CE2-CG 4.4Å; Y296-K458 WeakPolarHBondContact O-CE 3.43Å; Y296-K458 PolarHBondContact O-NZ 3.43Å
297	F	97.8	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-84.3	-14.6	178	-57.4	-51.8	0	0	0	113.4	Y293 I299 W359 F360 M382 I461 V462 L465	Y293-F297 HydrophobicContact CD1-CD2 4.32Å; Y293-F297 AromaticContact CD1-CE2 3.42Å; Y293-F297 HydrophobicContact CD1-CE2 3.42Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.42Å; Y293-F297 AromaticContact CD1-CZ 3.89Å; Y293-F297 HydrophobicContact CD1-CZ 3.89Å; Y293-F297 HydrophobicContact CE1-CE2 4.25Å; Y293-F297 HydrophobicContact CE1-CZ 4.38Å; Y293-F297 HydrophobicContact CG-CE2 4.01Å; Y293-F297 WeakPolarHBondContact O-CB 3.36Å; Y293-F297 WeakPolarHBondContact O-CD2 3.44Å; Y293-F297 PolarHBondContact O-N 3.13Å; F297-I299 HydrophobicContact CB-CB 4.33Å; F297-I299 HydrophobicContact CB-CD1 4.41Å; F297-I299 HydrophobicContact CB-CG1 4.47Å; F297-I299 WeakPolarHBondContact O-CG1 3.32Å; F297-I299 PolarHBondContact O-N 3.01Å; F297-W359 HydrophobicContact CD2-CB 4.28Å; F297-W359 AromaticContact CD2-CD1 3.85Å; F297-W359 AromaticContact CD2-CD2 3.72Å; F297-W359 HydrophobicContact CD2-CD2 3.72Å; F297-W359 AromaticContact CD2-CE2 3.94Å; F297-W359 HydrophobicContact CD2-CE3 4.27Å; F297-W359 AromaticContact CD2-CG 3.69Å; F297-W359 HydrophobicContact CD2-CG 3.69Å; F297-W359 AromaticContact CD2-NE1 3.97Å; F297-W359 HydrophobicContact CE2-CB 4.3Å; F297-W359 HydrophobicContact CE2-CD2 4.11Å; F297-W359 HydrophobicContact CE2-CE3 4.28Å; F297-W359 HydrophobicContact CE2-CG 4.11Å; F297-W359 HydrophobicContact CG-CG 4.47Å; F297-F360 AromaticContact CE1-CE2 3.78Å; F297-F360 HydrophobicContact CE1-CE2 3.78Å; F297-F360 HydrophobicContact CE1-CZ 4.1Å; F297-F360 HydrophobicContact CE2-CE2 4.23Å; F297-F360 HydrophobicContact CZ-CD2 4.4Å; F297-F360 AromaticContact CZ-CE2 3.51Å; F297-F360 HydrophobicContact CZ-CE2 3.51Å; F297-F360 HydrophobicContact CZ-CZ 4.29Å; F297-M382 HydrophobicContact CE1-CE 3.92Å; F297-M382 HydrophobicContact CE1-SD 4.21Å; F297-M382 HydrophobicContact CZ-CE 4.08Å; F297-M382 HydrophobicContact CZ-CG 4.34Å; F297-M382 HydrophobicContact CZ-SD 3.85Å; F297-I461 HydrophobicContact CD1-CG2 4.09Å; F297-I461 HydrophobicContact CE1-CG2 3.96Å; F297-V462 WeakPolarHBondContact O-CG1 3.47Å; F297-V462 WeakPolarHBondContact O-CG2 3.38Å; F297-L465 HydrophobicContact CB-CD1 4.28Å; F297-L465 HydrophobicContact CD1-CD1 3.77Å; F297-L465 HydrophobicContact CD2-CD1 4.46Å; F297-L465 HydrophobicContact CE1-CD1 4.27Å; F297-L465 HydrophobicContact CG-CD1 3.92Å
298	S	97.7	Very high	98.6	Very high	86 Å²	86	29.6 Å²	29.6	60%	0.601	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	34	-171.6	-57	0	0	0	0	112.1	E294 D295	E294-S298 VanDerWaalsContact O-CA 3.25Å; E294-S298 WeakPolarHBondContact O-CA 3.22Å; E294-S298 PolarHBondContact O-N 3.15Å; D295-S298 PolarHBondContact O-N 3.43Å; D295-S298 PolarHBondContact O-OG 3.33Å
299	I	98.1	Very high	98.6	Very high	20 Å²	20	26.9 Å²	26.9	10%	0.103	16%	0.155	C	C	.	.			trans	-131.8	115.2	177.5	-62.6	167.6	0	0	0	105.5	E294 F297 W359 L363 L465 Q466	E294-I299 PolarHBondContact O-N 3.32Å; F297-I299 HydrophobicContact CB-CB 4.33Å; F297-I299 HydrophobicContact CB-CD1 4.41Å; F297-I299 HydrophobicContact CB-CG1 4.47Å; F297-I299 WeakPolarHBondContact O-CG1 3.32Å; F297-I299 PolarHBondContact O-N 3.01Å; I299-W359 WeakPolarHBondContact O-CZ2 3.46Å; I299-W359 PolarHBondContact O-NE1 2.99Å; I299-W359 VanDerWaalsContact O-NE1 3.15Å; I299-L363 HydrophobicContact CG2-CD2 3.97Å; I299-L465 HydrophobicContact CD1-CB 3.49Å; I299-L465 VanDerWaalsContact CD1-CB 3.49Å; I299-L465 HydrophobicContact CD1-CD1 4.28Å; I299-Q466 HydrophobicContact CD1-CG 3.85Å; I299-Q466 HydrophobicContact CG1-CG 4.08Å
300	P	98.4	Very high	98.6	Very high	92 Å²	92	26.9 Å²	26.9	60%	0.597	16%	0.155	S	C	*	.			trans	-66.6	152.7	-178.8	29	-34.9	0	0	0	111	E294	E294-P300 WeakPolarHBondContact OE1-CA 3.03Å
301	Y	98.7	Very high	98.5	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.039	16%	0.155	C	C	.	.			trans	-67.7	123.2	169	178	-101.4	0	0	0	108.8	V265 L290 E294 L303 K305 Q306 W322 G323 Q358 W359	V265-Y301 HydrophobicContact CG1-CD1 3.84Å; V265-Y301 HydrophobicContact CG1-CE1 4Å; V265-Y301 HydrophobicContact CG2-CD1 3.94Å; L290-Y301 HydrophobicContact CD1-CD2 4.05Å; L290-Y301 HydrophobicContact CD1-CG 4.09Å; E294-Y301 PolarHBondContact OE1-N 3.5Å; Y301-L303 HydrophobicContact CD1-CB 4.33Å; Y301-L303 WeakPolarHBondContact CD1-O 3.45Å; Y301-L303 HydrophobicContact CE1-CB 3.5Å; Y301-L303 HydrophobicContact CE1-CG 4.19Å; Y301-L303 WeakPolarHBondContact CE1-O 3.43Å; Y301-L303 PolarHBondContact O-N 3.46Å; Y301-K305 PolarHBondContact OH-O 3.33Å; Y301-Q306 HydrophobicContact CE1-CB 4.27Å; Y301-Q306 PolarHBondContact OH-OE1 3.2Å; Y301-W322 AromaticContact CE2-CD1 3.99Å; Y301-W322 AromaticContact CE2-NE1 3.75Å; Y301-G323 VanDerWaalsContact OH-CA 3.24Å; Y301-G323 WeakPolarHBondContact OH-CA 3.47Å; Y301-G323 PolarHBondContact OH-N 3.4Å; Y301-Q358 HydrophobicContact CD2-CB 4.03Å; Y301-Q358 HydrophobicContact CD2-CG 4.35Å; Y301-Q358 HydrophobicContact CE2-CB 3.91Å; Y301-Q358 HydrophobicContact CE2-CG 3.89Å; Y301-W359 HydrophobicContact CD2-CH2 4.49Å
302	P	98.4	Very high	98.4	Very high	46 Å²	46	26.1 Å²	26.1	30%	0.299	15%	0.154	S	C	.	.			trans	-82.1	-11.8	-164.4	30.3	-35.5	0	0	0	114.5	W322 Y470	P302-W322 HydrophobicContact CG-CZ2 3.6Å; P302-Y470 WeakPolarHBondContact CB-OH 3.38Å
303	L	98.6	Very high	98	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.042	16%	0.163	C	C	.	.	S	Bend	trans	-99.1	148.3	-176.5	-45.9	-172.7	0	0	0	110.9	M219 V240 Y301 K305 W322	M219-L303 HydrophobicContact CE-CD2 4.28Å; M219-L303 HydrophobicContact SD-CD1 3.96Å; M219-L303 HydrophobicContact SD-CD2 3.77Å; M219-L303 HydrophobicContact SD-CG 4.31Å; V240-L303 HydrophobicContact CG1-CD2 3.96Å; V240-L303 HydrophobicContact CG2-CD2 4.05Å; Y301-L303 HydrophobicContact CD1-CB 4.33Å; Y301-L303 WeakPolarHBondContact CD1-O 3.45Å; Y301-L303 HydrophobicContact CE1-CB 3.5Å; Y301-L303 HydrophobicContact CE1-CG 4.19Å; Y301-L303 WeakPolarHBondContact CE1-O 3.43Å; Y301-L303 PolarHBondContact O-N 3.46Å; L303-K305 PolarHBondContact O-N 3.4Å; L303-W322 HydrophobicContact CD1-CB 4.43Å; L303-W322 VanDerWaalsContact CD1-CD1 3.43Å; L303-W322 HydrophobicContact CD1-CG 3.87Å
304	P	98.6	Very high	97.6	Very high	68 Å²	68	27.9 Å²	27.9	44%	0.442	16%	0.164	S	C	.	.	S	Bend	trans	-70.2	-13.8	-178.7	28	-37.7	0	0	0	114.3	P220 K266	P220-P304 HydrophobicContact CG-CB 4.26Å; P220-P304 HydrophobicContact CG-CG 3.31Å; K266-P304 PolarHBondContact N-O 2.89Å; K266-P304 VanDerWaalsContact N-O 3.08Å
305	K	98.8	Very high	96.9	Very high	14 Å²	14	32.3 Å²	32.3	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.4	-179.7	68.5	94	-179.4	175.2	0	112	S217 N218 P220 K266 Y301 L303 D307 G323	S217-K305 PolarHBondContact O-NZ 2.94Å; N218-K305 WeakPolarHBondContact O-CE 3.2Å; N218-K305 PolarHBondContact O-NZ 3.22Å; P220-K305 HydrophobicContact CG-CG 3.88Å; K266-K305 HydrophobicContact CB-CB 4.22Å; K266-K305 CarbonylContact O-C 3.53Å; K266-K305 WeakPolarHBondContact O-CA 3.49Å; K266-K305 VanDerWaalsContact O-CB 3.3Å; K266-K305 WeakPolarHBondContact O-CB 3.49Å; Y301-K305 PolarHBondContact OH-O 3.33Å; L303-K305 PolarHBondContact O-N 3.4Å; K305-D307 WeakPolarHBondContact CD-OD2 3.2Å; K305-D307 WeakPolarHBondContact CE-OD2 3.3Å; K305-D307 IonicContact NZ-OD2 2.71Å; K305-D307 PolarHBondContact NZ-OD2 3.43Å; K305-G323 PolarHBondContact NZ-O 3.07Å
306	Q	98.9	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	114.5	170.1	177.5	60.8	55.1	0	0	109.1	K266 V267 S268 L290 Y301 L308 T325 L355	K266-Q306 PolarHBondContact O-N 2.95Å; V267-Q306 VanDerWaalsContact CA-O 3.27Å; V267-Q306 WeakPolarHBondContact CA-O 3.33Å; S268-Q306 PolarHBondContact N-O 2.92Å; L290-Q306 HydrophobicContact CD2-CB 4.43Å; Y301-Q306 HydrophobicContact CE1-CB 4.27Å; Y301-Q306 PolarHBondContact OH-OE1 3.2Å; Q306-L308 HydrophobicContact CG-CD1 4.4Å; Q306-T325 VanDerWaalsContact NE2-CG2 3.25Å; Q306-T325 PolarHBondContact NE2-OG1 3.09Å; Q306-T325 VanDerWaalsContact NE2-OG1 3.14Å; Q306-L355 HydrophobicContact CG-CD2 4Å
307	D	98.9	Very high	95.9	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.8	177.1	-65.2	-26.9	0	0	0	110.6	S268 Y270 K305 G323 L324 T325	S268-D307 WeakPolarHBondContact CB-OD1 3.35Å; S268-D307 CarbonylContact O-C 3.42Å; S268-D307 VanDerWaalsContact O-CA 3.31Å; S268-D307 WeakPolarHBondContact O-CA 3.5Å; S268-D307 PolarHBondContact OG-OD1 3.06Å; Y270-D307 HydrophobicContact CD2-CB 4.11Å; Y270-D307 HydrophobicContact CE2-CB 3.98Å; K305-D307 WeakPolarHBondContact CD-OD2 3.2Å; K305-D307 WeakPolarHBondContact CE-OD2 3.3Å; K305-D307 IonicContact NZ-OD2 2.71Å; K305-D307 PolarHBondContact NZ-OD2 3.43Å; D307-G323 PolarHBondContact N-O 2.89Å; D307-L324 HydrophobicContact CB-CD1 3.67Å; D307-L324 CarbonylContact O-C 3.59Å; D307-L324 WeakPolarHBondContact O-CA 3.45Å; D307-T325 PolarHBondContact O-N 3.36Å; D307-T325 PolarHBondContact O-OG1 2.83Å
308	L	98.9	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110	174.4	-60.6	85.5	0	0	0	108.1	V267 S268 V269 Y270 A286 Q306 T325 Y327 L332 V351	V267-L308 HydrophobicContact CG1-CD1 3.64Å; S268-L308 PolarHBondContact O-N 3.02Å; V269-L308 CarbonylContact C-O 3.59Å; V269-L308 VanDerWaalsContact CA-O 3.3Å; V269-L308 WeakPolarHBondContact CA-O 3.38Å; V269-L308 HydrophobicContact CG2-CB 4.27Å; V269-L308 HydrophobicContact CG2-CD1 4.45Å; Y270-L308 PolarHBondContact N-O 3.08Å; A286-L308 HydrophobicContact CB-CD1 3.97Å; A286-L308 HydrophobicContact CB-CD2 3.8Å; Q306-L308 HydrophobicContact CG-CD1 4.4Å; L308-T325 CarbonylContact C-O 3.58Å; L308-T325 WeakPolarHBondContact CA-O 3.38Å; L308-Y327 HydrophobicContact CB-CD2 4.25Å; L308-Y327 HydrophobicContact CB-CE2 3.63Å; L308-Y327 HydrophobicContact CD2-CE2 3.95Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.49Å; L308-Y327 HydrophobicContact CG-CE2 3.91Å; L308-L332 HydrophobicContact CB-CD1 4.1Å; L308-L332 HydrophobicContact CB-CD2 3.99Å; L308-L332 HydrophobicContact CD2-CD1 3.82Å; L308-V351 HydrophobicContact CD2-CG1 4.11Å; L308-V351 HydrophobicContact CD2-CG2 4.22Å
309	A	98.9	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.3	-174.4	0	0	0	0	0	112	I250 I311 L324 T325 T326 Y327	I250-A309 HydrophobicContact CD1-CB 3.81Å; A309-I311 HydrophobicContact CB-CD1 4.03Å; A309-I311 PolarHBondContact O-N 3.34Å; A309-L324 HydrophobicContact CB-CD1 4.23Å; A309-T325 PolarHBondContact N-O 3.11Å; A309-T326 HydrophobicContact CB-CG2 4.43Å; A309-T326 CarbonylContact O-C 3.55Å; A309-T326 WeakPolarHBondContact O-CA 3.32Å; A309-Y327 PolarHBondContact O-N 2.9Å
310	A	98.7	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	108.9	171.5	0	0	0	0	0	110.3	F254 Y270 A271 E329 L332 L333	F254-A310 WeakPolarHBondContact CZ-O 3.43Å; Y270-A310 PolarHBondContact O-N 3Å; A271-A310 HydrophobicContact CB-CB 4.3Å; A310-E329 HydrophobicContact CB-CG 4.3Å; A310-L332 HydrophobicContact CB-CD2 3.98Å; A310-L333 HydrophobicContact CB-CD1 4.07Å; A310-L333 HydrophobicContact CB-CD2 4.06Å; A310-L333 HydrophobicContact CB-CG 3.98Å
311	I	98.3	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.6	179.8	-46.8	-55.5	0	0	0	109.5	L177 I250 F254 A309 D313 F314 T326 Y327	L177-I311 HydrophobicContact CD1-CG2 4.41Å; I250-I311 HydrophobicContact CD1-CD1 3.78Å; F254-I311 HydrophobicContact CE2-CD1 4.07Å; F254-I311 HydrophobicContact CZ-CD1 4.48Å; A309-I311 HydrophobicContact CB-CD1 4.03Å; A309-I311 PolarHBondContact O-N 3.34Å; I311-D313 WeakPolarHBondContact CG2-O 3.45Å; I311-D313 PolarHBondContact O-N 3.03Å; I311-F314 HydrophobicContact CB-CB 4.29Å; I311-F314 HydrophobicContact CB-CD2 4.08Å; I311-F314 HydrophobicContact CG1-CD2 4.14Å; I311-F314 HydrophobicContact CG2-CD2 4.42Å; I311-T326 HydrophobicContact CD1-CG2 4.32Å; I311-T326 HydrophobicContact CG1-CG2 4.26Å; I311-Y327 PolarHBondContact N-O 2.94Å
312	P	96.7	Very high	95.9	Very high	30 Å²	30	21.8 Å²	21.8	20%	0.195	14%	0.135	C	C	.	.	S	Bend	trans	-59	-44.2	179.6	-27.1	35.3	0	0	0	113.8	T166 Y167 L177 V272	T166-P312 WeakPolarHBondContact O-CB 3.28Å; Y167-P312 HydrophobicContact CD1-CG 4.34Å; Y167-P312 HydrophobicContact CG-CG 4.47Å; L177-P312 HydrophobicContact CD2-CG 4.06Å; V272-P312 HydrophobicContact CG1-CG 4.01Å
313	D	90.6	Very high	95.9	Very high	54 Å²	54	19.6 Å²	19.6	29%	0.289	12%	0.121	S	C	.	.	S	Bend	trans	-112.6	105.1	178.3	-55.9	-67.2	0	0	0	110	F159 Y163 S165 T166 I311	F159-D313 HydrophobicContact CD1-CB 4.35Å; F159-D313 HydrophobicContact CE1-CB 4.04Å; Y163-D313 WeakPolarHBondContact CE2-O 3.13Å; Y163-D313 PolarHBondContact OH-O 2.85Å; S165-D313 VanDerWaalsContact CA-OD2 3.32Å; S165-D313 WeakPolarHBondContact CA-OD2 3.39Å; S165-D313 WeakPolarHBondContact CB-OD2 3.44Å; S165-D313 WeakPolarHBondContact OG-CB 3.31Å; S165-D313 PolarHBondContact OG-N 3.49Å; S165-D313 VanDerWaalsContact OG-N 3.15Å; S165-D313 PolarHBondContact OG-OD2 2.98Å; T166-D313 PolarHBondContact N-OD2 3.42Å; I311-D313 WeakPolarHBondContact CG2-O 3.45Å; I311-D313 PolarHBondContact O-N 3.03Å
314	F	88.8	Confident	95.9	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.031	12%	0.119	C	C	.	.			trans	-141.7	136.2	-177.9	-160.4	-99.8	0	0	0	110.5	Y163 I311 S316 M319 T326 R328	Y163-F314 WeakPolarHBondContact OH-CD2 3.47Å; I311-F314 HydrophobicContact CB-CB 4.29Å; I311-F314 HydrophobicContact CB-CD2 4.08Å; I311-F314 HydrophobicContact CG1-CD2 4.14Å; I311-F314 HydrophobicContact CG2-CD2 4.42Å; F314-S316 WeakPolarHBondContact CD1-O 3.24Å; F314-M319 HydrophobicContact CZ-CB 3.77Å; F314-T326 VanDerWaalsContact CE2-OG1 3.23Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.49Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.26Å; F314-R328 HydrophobicContact CB-CG 3.77Å; F314-R328 HydrophobicContact CD1-CG 4.12Å; F314-R328 HydrophobicContact CG-CG 4.43Å; F314-R328 PolarHBondContact O-NE 3.37Å; F314-R328 VanDerWaalsContact O-NE 3.07Å; F314-R328 PolarHBondContact O-NH1 3.41Å; F314-R328 PolarHBondContact O-NH2 3.21Å
315	Q	85.3	Confident	95.9	Very high	108 Å²	108	16 Å²	16	51%	0.505	10%	0.098	S	C	.	.	S	Bend	trans	-81.5	-45	-174.1	173.3	173.6	-2.3	0	0	113.5	F159 R328	F159-Q315 HydrophobicContact CB-CB 3.43Å; F159-Q315 VanDerWaalsContact CB-CB 3.43Å; F159-Q315 HydrophobicContact CD2-CB 3.91Å; F159-Q315 HydrophobicContact CD2-CG 4.46Å; F159-Q315 HydrophobicContact CG-CB 3.85Å; Q315-R328 PolarHBondContact O-NH2 3.44Å
316	S	86.4	Confident	95.9	Very high	56 Å²	56	15.3 Å²	15.3	39%	0.392	10%	0.095	S	C	.	.	S	Bend	trans	-86.9	-172.3	-178.9	-58.6	0	0	0	0	111.1	F314 R328	F314-S316 WeakPolarHBondContact CD1-O 3.24Å; S316-R328 WeakPolarHBondContact O-CD 3.28Å; S316-R328 VanDerWaalsContact O-CG 3.27Å; S316-R328 WeakPolarHBondContact O-CG 2.77Å; S316-R328 PolarHBondContact O-NE 2.74Å
317	G	88.3	Confident	95.9	Very high	39 Å²	39	15.3 Å²	15.3	40%	0.402	10%	0.095	S	C	.	.	S	Bend	trans	-71	-51.2	170	0	0	0	0	0	111.4	R328	G317-R328 PolarHBondContact O-N 3.49Å
318	A	96.9	Very high	95.9	Very high	13 Å²	13	20 Å²	20	11%	0.107	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-176.6	177.4	0	0	0	0	0	110.1	T326 Y327 T350 E354	A318-T326 CarbonylContact C-O 3.6Å; A318-T326 WeakPolarHBondContact CA-O 3.32Å; A318-T326 WeakPolarHBondContact CB-O 3.39Å; A318-Y327 HydrophobicContact CB-CD1 3.45Å; A318-Y327 VanDerWaalsContact CB-CD1 3.45Å; A318-Y327 HydrophobicContact CB-CE1 3.85Å; A318-Y327 HydrophobicContact CB-CG 3.97Å; A318-T350 HydrophobicContact CB-CG2 3.62Å; A318-E354 HydrophobicContact CB-CG 3.63Å; A318-E354 VanDerWaalsContact CB-OE1 3.28Å; A318-E354 WeakPolarHBondContact CB-OE1 3.44Å
319	M	98.2	Very high	95.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	138.1	176.4	174.6	73.4	-144.6	0	0	110.2	Q181 E183 Y245 L246 F314 N321 T325 T326 E354	Q181-M319 PolarHBondContact NE2-SD 3.42Å; Q181-M319 VanDerWaalsContact NE2-SD 3.36Å; E183-M319 HydrophobicContact CB-CE 3.62Å; E183-M319 HydrophobicContact CB-SD 3.5Å; E183-M319 WeakPolarHBondContact CB-SD 3.5Å; E183-M319 HydrophobicContact CG-CE 4.33Å; E183-M319 HydrophobicContact CG-SD 4.46Å; Y245-M319 HydrophobicContact CD2-CE 3.65Å; Y245-M319 HydrophobicContact CE2-CE 3.8Å; L246-M319 HydrophobicContact CD2-CE 4.09Å; F314-M319 HydrophobicContact CZ-CB 3.77Å; M319-N321 VanDerWaalsContact C-N 3.29Å; M319-N321 WeakPolarHBondContact CG-OD1 3.43Å; M319-N321 PolarHBondContact O-N 3.47Å; M319-N321 VanDerWaalsContact O-N 3.13Å; M319-T325 CarbonylContact O-C 3.45Å; M319-T325 VanDerWaalsContact O-CA 3.29Å; M319-T325 WeakPolarHBondContact O-CA 3.27Å; M319-T326 PolarHBondContact N-O 2.94Å; M319-T326 PolarHBondContact O-N 3.44Å; M319-E354 WeakPolarHBondContact CA-OE2 3.12Å; M319-E354 PolarHBondContact N-OE2 2.85Å
320	E	98.3	Very high	95.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.019	15%	0.151	C	C	.	.			trans	-86.1	16.9	-163	73.5	-95.7	-151.7	0	0	115.6	L246 W322 E354 H357 Q358 N362	L246-E320 HydrophobicContact CD2-CG 3.8Å; E320-W322 PolarHBondContact O-N 2.8Å; E320-W322 VanDerWaalsContact O-N 3.17Å; E320-E354 VanDerWaalsContact CA-OE2 3.32Å; E320-E354 WeakPolarHBondContact CA-OE2 3.25Å; E320-E354 PolarHBondContact N-OE2 3.11Å; E320-E354 VanDerWaalsContact N-OE2 3.08Å; E320-H357 HydrophobicContact CB-CB 3.31Å; E320-H357 HydrophobicContact CG-CB 3.59Å; E320-H357 IonicContact OE1-ND1 3.63Å; E320-Q358 PolarHBondContact O-NE2 2.9Å; E320-Q358 VanDerWaalsContact O-NE2 3.09Å; E320-N362 WeakPolarHBondContact CG-OD1 3.33Å; E320-N362 PolarHBondContact O-ND2 2.83Å
321	N	98.7	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.			trans	-45.9	126	-167.5	-51	97.4	0	0	0	111.2	Y245 L246 A248 M319 G323 L324 T325	Y245-N321 PolarHBondContact O-ND2 3.19Å; L246-N321 WeakPolarHBondContact O-CB 3.45Å; A248-N321 HydrophobicContact CB-CB 3.54Å; M319-N321 VanDerWaalsContact C-N 3.29Å; M319-N321 WeakPolarHBondContact CG-OD1 3.43Å; M319-N321 PolarHBondContact O-N 3.47Å; M319-N321 VanDerWaalsContact O-N 3.13Å; N321-G323 PolarHBondContact O-N 3.3Å; N321-L324 WeakPolarHBondContact CB-O 3.43Å; N321-L324 CarbonylContact O-C 3.6Å; N321-L324 PolarHBondContact O-N 2.76Å; N321-T325 PolarHBondContact O-N 3.19Å
322	W	98.7	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	114.5	-163.5	-154.4	-11.4	0	0	0	111.7	N218 V240 M242 Y301 P302 L303 E320 L324 N362 L363 Y470	N218-W322 WeakPolarHBondContact CA-O 3.46Å; N218-W322 WeakPolarHBondContact CB-O 3.48Å; N218-W322 PolarHBondContact ND2-O 2.69Å; V240-W322 HydrophobicContact CG2-CD2 4.25Å; V240-W322 HydrophobicContact CG2-CE3 3.87Å; V240-W322 HydrophobicContact CG2-CH2 3.7Å; V240-W322 HydrophobicContact CG2-CZ2 4.12Å; V240-W322 HydrophobicContact CG2-CZ3 3.58Å; M242-W322 HydrophobicContact CB-CE3 3.65Å; M242-W322 HydrophobicContact CB-CZ3 3.9Å; M242-W322 HydrophobicContact SD-CB 4.23Å; M242-W322 HydrophobicContact SD-CE3 4.31Å; Y301-W322 AromaticContact CE2-CD1 3.99Å; Y301-W322 AromaticContact CE2-NE1 3.75Å; P302-W322 HydrophobicContact CG-CZ2 3.6Å; L303-W322 HydrophobicContact CD1-CB 4.43Å; L303-W322 VanDerWaalsContact CD1-CD1 3.43Å; L303-W322 HydrophobicContact CD1-CG 3.87Å; E320-W322 PolarHBondContact O-N 2.8Å; E320-W322 VanDerWaalsContact O-N 3.17Å; W322-L324 VanDerWaalsContact C-N 3.3Å; W322-L324 PolarHBondContact O-N 3.01Å; W322-N362 WeakPolarHBondContact CA-ND2 3.47Å; W322-N362 HydrophobicContact CB-CB 4.46Å; W322-N362 WeakPolarHBondContact CB-ND2 3.34Å; W322-N362 HydrophobicContact CD2-CB 3.57Å; W322-N362 HydrophobicContact CE3-CB 3.68Å; W322-N362 HydrophobicContact CG-CB 3.95Å; W322-N362 HydrophobicContact CH2-CB 4.32Å; W322-N362 HydrophobicContact CZ2-CB 4.19Å; W322-N362 HydrophobicContact CZ3-CB 4.06Å; W322-N362 VanDerWaalsContact CZ3-O 3.28Å; W322-N362 WeakPolarHBondContact CZ3-O 3.44Å; W322-L363 HydrophobicContact CH2-CB 4.16Å; W322-L363 HydrophobicContact CH2-CD1 4.19Å; W322-L363 HydrophobicContact CZ2-CB 4.25Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; W322-Y470 HydrophobicContact CH2-CD1 4.04Å; W322-Y470 AromaticContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CZ2-CE1 4.46Å
323	G	98.7	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.9	-176.2	0	0	0	0	0	115.6	Y301 K305 D307 N321	Y301-G323 VanDerWaalsContact OH-CA 3.24Å; Y301-G323 WeakPolarHBondContact OH-CA 3.47Å; Y301-G323 PolarHBondContact OH-N 3.4Å; K305-G323 PolarHBondContact NZ-O 3.07Å; D307-G323 PolarHBondContact N-O 2.89Å; N321-G323 PolarHBondContact O-N 3.3Å
324	L	98.9	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	63.2	177	-177.8	55.9	0	0	0	111.1	I216 A248 I250 D307 A309 N321 W322	I216-L324 HydrophobicContact CB-CD2 4.45Å; I216-L324 HydrophobicContact CD1-CD1 3.62Å; I216-L324 HydrophobicContact CD1-CD2 4.45Å; I216-L324 HydrophobicContact CG1-CD1 4.06Å; I216-L324 HydrophobicContact CG1-CD2 3.99Å; A248-L324 HydrophobicContact CB-CB 4.46Å; A248-L324 HydrophobicContact CB-CD2 4.14Å; A248-L324 HydrophobicContact CB-CG 4.46Å; I250-L324 HydrophobicContact CD1-CD1 4.2Å; I250-L324 HydrophobicContact CD1-CD2 4.08Å; I250-L324 HydrophobicContact CD1-CG 4.28Å; I250-L324 HydrophobicContact CG1-CD2 4.22Å; D307-L324 HydrophobicContact CB-CD1 3.67Å; D307-L324 CarbonylContact O-C 3.59Å; D307-L324 WeakPolarHBondContact O-CA 3.45Å; A309-L324 HydrophobicContact CB-CD1 4.23Å; N321-L324 WeakPolarHBondContact CB-O 3.43Å; N321-L324 CarbonylContact O-C 3.6Å; N321-L324 PolarHBondContact O-N 2.76Å; W322-L324 VanDerWaalsContact C-N 3.3Å; W322-L324 PolarHBondContact O-N 3.01Å
325	T	98.8	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.1	177	49.4	0	0	0	0	110.4	Q306 D307 L308 A309 M319 N321 Y327 E354	Q306-T325 VanDerWaalsContact NE2-CG2 3.25Å; Q306-T325 PolarHBondContact NE2-OG1 3.09Å; Q306-T325 VanDerWaalsContact NE2-OG1 3.14Å; D307-T325 PolarHBondContact O-N 3.36Å; D307-T325 PolarHBondContact O-OG1 2.83Å; L308-T325 CarbonylContact C-O 3.58Å; L308-T325 WeakPolarHBondContact CA-O 3.38Å; A309-T325 PolarHBondContact N-O 3.11Å; M319-T325 CarbonylContact O-C 3.45Å; M319-T325 VanDerWaalsContact O-CA 3.29Å; M319-T325 WeakPolarHBondContact O-CA 3.27Å; N321-T325 PolarHBondContact O-N 3.19Å; T325-Y327 VanDerWaalsContact OG1-CE2 3.28Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.14Å; T325-Y327 PolarHBondContact OG1-OH 3.46Å; T325-E354 HydrophobicContact CG2-CB 4.02Å
326	T	98.7	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.7	-178.1	58.3	0	0	0	0	111.1	I250 A309 I311 F314 A318 M319	I250-T326 HydrophobicContact CD1-CG2 3.95Å; A309-T326 HydrophobicContact CB-CG2 4.43Å; A309-T326 CarbonylContact O-C 3.55Å; A309-T326 WeakPolarHBondContact O-CA 3.32Å; I311-T326 HydrophobicContact CD1-CG2 4.32Å; I311-T326 HydrophobicContact CG1-CG2 4.26Å; F314-T326 VanDerWaalsContact CE2-OG1 3.23Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.49Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.26Å; A318-T326 CarbonylContact C-O 3.6Å; A318-T326 WeakPolarHBondContact CA-O 3.32Å; A318-T326 WeakPolarHBondContact CB-O 3.39Å; M319-T326 PolarHBondContact N-O 2.94Å; M319-T326 PolarHBondContact O-N 3.44Å
327	Y	98.8	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.3	-171.3	-58.8	-103.6	0	0	0	110.5	L308 A309 I311 A318 T325 L332 T350 V351 E354	L308-Y327 HydrophobicContact CB-CD2 4.25Å; L308-Y327 HydrophobicContact CB-CE2 3.63Å; L308-Y327 HydrophobicContact CD2-CE2 3.95Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.49Å; L308-Y327 HydrophobicContact CG-CE2 3.91Å; A309-Y327 PolarHBondContact O-N 2.9Å; I311-Y327 PolarHBondContact N-O 2.94Å; A318-Y327 HydrophobicContact CB-CD1 3.45Å; A318-Y327 VanDerWaalsContact CB-CD1 3.45Å; A318-Y327 HydrophobicContact CB-CE1 3.85Å; A318-Y327 HydrophobicContact CB-CG 3.97Å; T325-Y327 VanDerWaalsContact OG1-CE2 3.28Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.14Å; T325-Y327 PolarHBondContact OG1-OH 3.46Å; Y327-L332 HydrophobicContact CD1-CB 4.35Å; Y327-L332 HydrophobicContact CD1-CD1 4.02Å; Y327-L332 HydrophobicContact CD2-CD1 3.97Å; Y327-L332 HydrophobicContact CD2-CD2 3.74Å; Y327-L332 HydrophobicContact CD2-CG 4.31Å; Y327-L332 HydrophobicContact CE1-CD1 4.12Å; Y327-L332 HydrophobicContact CE2-CD1 4.08Å; Y327-L332 HydrophobicContact CE2-CD2 4.39Å; Y327-L332 HydrophobicContact CG-CB 4Å; Y327-L332 HydrophobicContact CG-CD1 3.97Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.24Å; Y327-T350 HydrophobicContact CD1-CG2 3.88Å; Y327-T350 HydrophobicContact CE1-CG2 3.96Å; Y327-V351 HydrophobicContact CE1-CG2 4.23Å; Y327-E354 HydrophobicContact CD1-CG 4.35Å; Y327-E354 HydrophobicContact CE1-CB 4.2Å; Y327-E354 HydrophobicContact CE1-CG 3.42Å; Y327-E354 VanDerWaalsContact CE1-CG 3.42Å; Y327-E354 WeakPolarHBondContact OH-CB 3.41Å; Y327-E354 WeakPolarHBondContact OH-CG 3.34Å
328	R	98	Very high	98.1	Very high	107 Å²	107	36.7 Å²	36.7	40%	0.404	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	145.3	153.9	-78.8	178.3	-177	-103.5	7	109.1	F314 Q315 S316 G317 S330 A331 L332	F314-R328 HydrophobicContact CB-CG 3.77Å; F314-R328 HydrophobicContact CD1-CG 4.12Å; F314-R328 HydrophobicContact CG-CG 4.43Å; F314-R328 PolarHBondContact O-NE 3.37Å; F314-R328 VanDerWaalsContact O-NE 3.07Å; F314-R328 PolarHBondContact O-NH1 3.41Å; F314-R328 PolarHBondContact O-NH2 3.21Å; Q315-R328 PolarHBondContact O-NH2 3.44Å; S316-R328 WeakPolarHBondContact O-CD 3.28Å; S316-R328 VanDerWaalsContact O-CG 3.27Å; S316-R328 WeakPolarHBondContact O-CG 2.77Å; S316-R328 PolarHBondContact O-NE 2.74Å; G317-R328 PolarHBondContact O-N 3.49Å; R328-S330 PolarHBondContact O-N 3.49Å; R328-S330 VanDerWaalsContact O-N 3.16Å; R328-A331 HydrophobicContact CB-CB 4.29Å; R328-A331 PolarHBondContact O-N 2.86Å; R328-L332 PolarHBondContact O-N 2.65Å
329	E	98.1	Very high	98.1	Very high	39 Å²	39	37.7 Å²	37.7	18%	0.182	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-52.1	-40.6	173.7	-66.2	-176.2	142.4	0	0	112.6	K275 A310 A331 L332 L333	K275-E329 IonicContact NZ-OE1 2.75Å; K275-E329 PolarHBondContact NZ-OE1 2.82Å; K275-E329 IonicContact NZ-OE2 3.58Å; K275-E329 PolarHBondContact NZ-OE2 2.91Å; A310-E329 HydrophobicContact CB-CG 4.3Å; E329-A331 PolarHBondContact O-N 3.3Å; E329-L332 PolarHBondContact O-N 2.97Å; E329-L333 HydrophobicContact CB-CD1 4.09Å; E329-L333 HydrophobicContact CG-CD1 4.23Å; E329-L333 WeakPolarHBondContact O-CB 3.43Å; E329-L333 PolarHBondContact O-N 3.38Å
330	S	97.4	Very high	98.1	Very high	90 Å²	90	40.4 Å²	40.4	63%	0.629	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-67.2	-16.8	178.8	59.9	0	0	0	0	114.8	R328	R328-S330 PolarHBondContact O-N 3.49Å; R328-S330 VanDerWaalsContact O-N 3.16Å
331	A	97.9	Very high	98	Very high	10 Å²	10	44.3 Å²	44.3	8%	0.083	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-98.5	-2.3	-179.4	0	0	0	0	0	112.8	R328 E329 T350	R328-A331 HydrophobicContact CB-CB 4.29Å; R328-A331 PolarHBondContact O-N 2.86Å; E329-A331 PolarHBondContact O-N 3.3Å; A331-T350 HydrophobicContact CB-CG2 4.14Å
332	L	98.6	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-37.4	-178.4	-164.8	67.6	0	0	0	113.7	V269 A282 L308 A310 Y327 R328 E329 V351	V269-L332 HydrophobicContact CG1-CD2 3.82Å; V269-L332 HydrophobicContact CG1-CG 4.29Å; A282-L332 HydrophobicContact CB-CD1 3.58Å; A282-L332 HydrophobicContact CB-CG 3.98Å; A282-L332 VanDerWaalsContact CB-O 3.28Å; A282-L332 WeakPolarHBondContact CB-O 3.26Å; L308-L332 HydrophobicContact CB-CD1 4.1Å; L308-L332 HydrophobicContact CB-CD2 3.99Å; L308-L332 HydrophobicContact CD2-CD1 3.82Å; A310-L332 HydrophobicContact CB-CD2 3.98Å; Y327-L332 HydrophobicContact CD1-CB 4.35Å; Y327-L332 HydrophobicContact CD1-CD1 4.02Å; Y327-L332 HydrophobicContact CD2-CD1 3.97Å; Y327-L332 HydrophobicContact CD2-CD2 3.74Å; Y327-L332 HydrophobicContact CD2-CG 4.31Å; Y327-L332 HydrophobicContact CE1-CD1 4.12Å; Y327-L332 HydrophobicContact CE2-CD1 4.08Å; Y327-L332 HydrophobicContact CE2-CD2 4.39Å; Y327-L332 HydrophobicContact CG-CB 4Å; Y327-L332 HydrophobicContact CG-CD1 3.97Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.24Å; R328-L332 PolarHBondContact O-N 2.65Å; E329-L332 PolarHBondContact O-N 2.97Å; L332-V351 HydrophobicContact CD1-CG2 3.86Å
333	L	98.5	Very high	97.9	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.047	29%	0.292	C	S	.	.			trans	-91.7	130.2	-172.7	-56.3	-176.2	0	0	0	111.5	A271 K275 Q278 A279 A310 E329 I347	A271-L333 HydrophobicContact CB-CD1 4.36Å; A271-L333 HydrophobicContact CB-CD2 4.06Å; K275-L333 HydrophobicContact CB-CD1 3.85Å; K275-L333 HydrophobicContact CD-CD1 3.98Å; Q278-L333 HydrophobicContact CB-CB 3.91Å; Q278-L333 HydrophobicContact CB-CD2 4.47Å; A279-L333 HydrophobicContact CB-CD2 4.5Å; A310-L333 HydrophobicContact CB-CD1 4.07Å; A310-L333 HydrophobicContact CB-CD2 4.06Å; A310-L333 HydrophobicContact CB-CG 3.98Å; E329-L333 HydrophobicContact CB-CD1 4.09Å; E329-L333 HydrophobicContact CG-CD1 4.23Å; E329-L333 WeakPolarHBondContact O-CB 3.43Å; E329-L333 PolarHBondContact O-N 3.38Å; L333-I347 WeakPolarHBondContact O-CD1 3.38Å
334	F	98.5	Very high	97.8	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.162	31%	0.306	C	S	.	.			trans	-121.9	122.1	-178.6	179.7	-100.1	0	0	0	111.3	Q278 Y281 A336 S339 K344 I347	Q278-F334 WeakPolarHBondContact CA-O 3.47Å; Q278-F334 WeakPolarHBondContact CB-O 3.43Å; Q278-F334 PolarHBondContact O-N 2.81Å; Y281-F334 HydrophobicContact CD1-CB 3.97Å; Y281-F334 HydrophobicContact CD1-CG 4.12Å; Y281-F334 HydrophobicContact CG-CB 4.26Å; Y281-F334 HydrophobicContact CG-CD1 4.23Å; Y281-F334 HydrophobicContact CG-CG 4.26Å; F334-A336 HydrophobicContact CE1-CB 4.15Å; F334-S339 VanDerWaalsContact CD2-CB 3.41Å; F334-K344 HydrophobicContact CD2-CB 4.12Å; F334-K344 HydrophobicContact CD2-CG 4.31Å; F334-K344 HydrophobicContact CE2-CB 3.69Å; F334-K344 HydrophobicContact CE2-CD 4.1Å; F334-K344 HydrophobicContact CE2-CG 3.99Å; F334-K344 HydrophobicContact CZ-CB 4.49Å; F334-K344 HydrophobicContact CZ-CD 4.09Å; F334-K344 HydrophobicContact CZ-CG 4.45Å; F334-I347 HydrophobicContact CB-CD1 3.85Å; F334-I347 HydrophobicContact CD2-CD1 4.25Å
335	D	97.9	Very high	97.8	Very high	33 Å²	33	55.5 Å²	55.5	18%	0.176	32%	0.317	C	S	.	.			trans	-104.5	114.2	173.3	-177.6	-24.6	0	0	0	109	Q278 E337 K338 S339	Q278-D335 HydrophobicContact CG-CB 4.27Å; D335-E337 PolarHBondContact O-N 2.94Å; D335-E337 VanDerWaalsContact O-N 3.12Å; D335-E337 PolarHBondContact OD1-N 2.89Å; D335-K338 HydrophobicContact CB-CB 4.25Å; D335-K338 PolarHBondContact O-N 2.76Å; D335-K338 VanDerWaalsContact O-N 3.14Å; D335-K338 WeakPolarHBondContact OD2-CD 3.49Å; D335-K338 IonicContact OD2-NZ 3.28Å; D335-S339 PolarHBondContact N-OG 3.02Å; D335-S339 WeakPolarHBondContact O-CB 3.4Å; D335-S339 PolarHBondContact O-N 3.48Å; D335-S339 PolarHBondContact O-OG 3.31Å
336	A	96.4	Very high	97.8	Very high	80 Å²	80	57 Å²	57	66%	0.661	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-175.6	0	0	0	0	0	114.3	F334	F334-A336 HydrophobicContact CE1-CB 4.15Å
337	E	96.8	Very high	97.8	Very high	176 Å²	176	57 Å²	57	82%	0.822	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-19.4	-178.6	-64.2	-65.3	139.7	0	0	112.7	D335	D335-E337 PolarHBondContact O-N 2.94Å; D335-E337 VanDerWaalsContact O-N 3.12Å; D335-E337 PolarHBondContact OD1-N 2.89Å
338	K	96.9	Very high	97.8	Very high	171 Å²	171	57 Å²	57	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-30.9	-169.7	-61.6	-179.1	-167.8	151.7	0	114.8	D335	D335-K338 HydrophobicContact CB-CB 4.25Å; D335-K338 PolarHBondContact O-N 2.76Å; D335-K338 VanDerWaalsContact O-N 3.14Å; D335-K338 WeakPolarHBondContact OD2-CD 3.49Å; D335-K338 IonicContact OD2-NZ 3.28Å
339	S	97.4	Very high	97.8	Very high	34 Å²	34	52.9 Å²	52.9	24%	0.238	32%	0.318	C	S	.	.			trans	-72	133.4	-177.9	-68.9	0	0	0	0	110.6	F334 D335	F334-S339 VanDerWaalsContact CD2-CB 3.41Å; D335-S339 PolarHBondContact N-OG 3.02Å; D335-S339 WeakPolarHBondContact O-CB 3.4Å; D335-S339 PolarHBondContact O-N 3.48Å; D335-S339 PolarHBondContact O-OG 3.31Å
340	S	97.8	Very high	97.8	Very high	59 Å²	59	52.6 Å²	52.6	41%	0.413	32%	0.319	S	S	.	.			trans	-73.6	162.8	176.6	64.9	0	0	0	0	111.8	S342 S343 K344	S340-S342 PolarHBondContact O-N 3Å; S340-S342 PolarHBondContact OG-OG 3.49Å; S340-S343 WeakPolarHBondContact O-CB 3.48Å; S340-S343 PolarHBondContact O-N 3.4Å; S340-S343 VanDerWaalsContact O-N 3.1Å; S340-S343 WeakPolarHBondContact OG-CB 3.38Å; S340-S343 PolarHBondContact OG-N 3.15Å; S340-K344 PolarHBondContact O-N 3.35Å
341	A	96.9	Very high	97.9	Very high	86 Å²	86	48.3 Å²	48.3	71%	0.711	29%	0.289	S	S	*	.	H	α-helix	trans	-58.2	-35.6	170.2	0	0	0	0	0	112.4	K344 L345	A341-K344 WeakPolarHBondContact O-CB 3.36Å; A341-K344 PolarHBondContact O-N 2.79Å; A341-L345 PolarHBondContact O-N 2.92Å
342	S	96.7	Very high	97.9	Very high	88 Å²	88	47.9 Å²	47.9	62%	0.615	29%	0.285	S	S	*	.	H	α-helix	trans	-67.4	-35.9	175	57.1	0	0	0	0	112.8	S340 G346	S340-S342 PolarHBondContact O-N 3Å; S340-S342 PolarHBondContact OG-OG 3.49Å; S342-G346 PolarHBondContact O-N 3.05Å
343	S	97.6	Very high	97.9	Very high	35 Å²	35	48.5 Å²	48.5	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-43.3	173	168.4	0	0	0	0	110.8	S340 L345 G346 I347	S340-S343 WeakPolarHBondContact O-CB 3.48Å; S340-S343 PolarHBondContact O-N 3.4Å; S340-S343 VanDerWaalsContact O-N 3.1Å; S340-S343 WeakPolarHBondContact OG-CB 3.38Å; S340-S343 PolarHBondContact OG-N 3.15Å; S343-L345 PolarHBondContact O-N 3.49Å; S343-G346 PolarHBondContact O-N 2.95Å; S343-I347 VanDerWaalsContact O-CG1 3.3Å; S343-I347 WeakPolarHBondContact O-CG1 3.33Å; S343-I347 PolarHBondContact O-N 3.13Å
344	K	98	Very high	98	Very high	69 Å²	69	48.5 Å²	48.5	30%	0.3	29%	0.288	S	S	.	.	H	α-helix	trans	-56.1	-50.8	174.2	-169.5	172.1	-177.5	167	0	111.4	Y281 F334 S340 A341 G346 I347 T348	Y281-K344 HydrophobicContact CD1-CG 4.42Å; Y281-K344 HydrophobicContact CE1-CG 3.7Å; Y281-K344 HydrophobicContact CE2-CD 4.41Å; Y281-K344 HydrophobicContact CE2-CG 4.32Å; Y281-K344 VanDerWaalsContact CZ-CE 3.41Å; F334-K344 HydrophobicContact CD2-CB 4.12Å; F334-K344 HydrophobicContact CD2-CG 4.31Å; F334-K344 HydrophobicContact CE2-CB 3.69Å; F334-K344 HydrophobicContact CE2-CD 4.1Å; F334-K344 HydrophobicContact CE2-CG 3.99Å; F334-K344 HydrophobicContact CZ-CB 4.49Å; F334-K344 HydrophobicContact CZ-CD 4.09Å; F334-K344 HydrophobicContact CZ-CG 4.45Å; S340-K344 PolarHBondContact O-N 3.35Å; A341-K344 WeakPolarHBondContact O-CB 3.36Å; A341-K344 PolarHBondContact O-N 2.79Å; K344-G346 PolarHBondContact O-N 3.36Å; K344-I347 PolarHBondContact O-N 3.1Å; K344-T348 PolarHBondContact O-N 2.73Å; K344-T348 PolarHBondContact O-OG1 2.54Å
345	L	98	Very high	98	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-46.2	175.7	173.1	61.4	0	0	0	111.7	A341 S343 I347 T348 M349 L394 V396 Y399	A341-L345 PolarHBondContact O-N 2.92Å; S343-L345 PolarHBondContact O-N 3.49Å; L345-I347 VanDerWaalsContact C-N 3.34Å; L345-I347 PolarHBondContact O-N 2.9Å; L345-T348 PolarHBondContact O-N 3.41Å; L345-M349 HydrophobicContact CD1-CG 3.8Å; L345-M349 HydrophobicContact CD1-SD 4.33Å; L345-M349 HydrophobicContact CG-CG 4.31Å; L345-M349 VanDerWaalsContact O-CG 3.24Å; L345-M349 WeakPolarHBondContact O-CG 3.48Å; L345-M349 PolarHBondContact O-N 3.4Å; L345-L394 HydrophobicContact CD1-CB 4.34Å; L345-L394 HydrophobicContact CD1-CD1 4.15Å; L345-V396 HydrophobicContact CD1-CG1 3.55Å; L345-Y399 HydrophobicContact CD2-CD2 4.12Å; L345-Y399 HydrophobicContact CD2-CE2 4.03Å
346	G	98.1	Very high	98	Very high	31 Å²	31	45.2 Å²	45.2	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-57.1	-46.3	177.5	0	0	0	0	0	112.4	S342 S343 K344 M349 T350	S342-G346 PolarHBondContact O-N 3.05Å; S343-G346 PolarHBondContact O-N 2.95Å; K344-G346 PolarHBondContact O-N 3.36Å; G346-M349 PolarHBondContact O-N 3.49Å; G346-T350 PolarHBondContact O-N 3.27Å; G346-T350 PolarHBondContact O-OG1 2.92Å; G346-T350 VanDerWaalsContact O-OG1 3.09Å
347	I	98.6	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-46.7	176.2	-65.5	164.2	0	0	0	110.6	Y281 A282 L333 F334 S343 K344 L345 M349 T350 V351	Y281-I347 HydrophobicContact CD1-CG2 4.03Å; Y281-I347 HydrophobicContact CE1-CB 4.32Å; Y281-I347 HydrophobicContact CE1-CG2 4.03Å; A282-I347 HydrophobicContact CB-CG2 4.47Å; L333-I347 WeakPolarHBondContact O-CD1 3.38Å; F334-I347 HydrophobicContact CB-CD1 3.85Å; F334-I347 HydrophobicContact CD2-CD1 4.25Å; S343-I347 VanDerWaalsContact O-CG1 3.3Å; S343-I347 WeakPolarHBondContact O-CG1 3.33Å; S343-I347 PolarHBondContact O-N 3.13Å; K344-I347 PolarHBondContact O-N 3.1Å; L345-I347 VanDerWaalsContact C-N 3.34Å; L345-I347 PolarHBondContact O-N 2.9Å; I347-M349 VanDerWaalsContact C-N 3.33Å; I347-M349 PolarHBondContact O-N 3.07Å; I347-T350 PolarHBondContact O-N 3.28Å; I347-V351 HydrophobicContact CG2-CG2 4.36Å; I347-V351 WeakPolarHBondContact O-CB 3.01Å; I347-V351 WeakPolarHBondContact O-CG2 3.3Å; I347-V351 PolarHBondContact O-N 3.27Å
348	T	98.8	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-45.9	178.2	-35.1	0	0	0	0	111.6	Y281 K344 L345 A352 V387 L394	Y281-T348 PolarHBondContact OH-OG1 3.32Å; K344-T348 PolarHBondContact O-N 2.73Å; K344-T348 PolarHBondContact O-OG1 2.54Å; L345-T348 PolarHBondContact O-N 3.41Å; T348-A352 VanDerWaalsContact O-CB 3.3Å; T348-A352 WeakPolarHBondContact O-CB 3.48Å; T348-A352 PolarHBondContact O-N 3.35Å; T348-V387 HydrophobicContact CG2-CG1 3.94Å; T348-V387 HydrophobicContact CG2-CG2 4.03Å; T348-L394 HydrophobicContact CG2-CD1 4.03Å
349	M	98.6	Very high	98.3	Very high	20 Å²	20	25 Å²	25	10%	0.099	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-42.9	-178	-65	-64.1	-80.7	0	0	111.1	L345 G346 I347 A352 H353 E383 F384 V387 V396	L345-M349 HydrophobicContact CD1-CG 3.8Å; L345-M349 HydrophobicContact CD1-SD 4.33Å; L345-M349 HydrophobicContact CG-CG 4.31Å; L345-M349 VanDerWaalsContact O-CG 3.24Å; L345-M349 WeakPolarHBondContact O-CG 3.48Å; L345-M349 PolarHBondContact O-N 3.4Å; G346-M349 PolarHBondContact O-N 3.49Å; I347-M349 VanDerWaalsContact C-N 3.33Å; I347-M349 PolarHBondContact O-N 3.07Å; M349-A352 PolarHBondContact O-N 3.4Å; M349-H353 WeakPolarHBondContact O-CB 3.48Å; M349-H353 PolarHBondContact O-N 2.92Å; M349-E383 HydrophobicContact CE-CB 3.51Å; M349-E383 HydrophobicContact CE-CG 4.41Å; M349-E383 WeakPolarHBondContact CE-OE2 3.37Å; M349-E383 WeakPolarHBondContact O-CG 3.42Å; M349-E383 HydrophobicContact SD-CB 4.12Å; M349-F384 HydrophobicContact CE-CD1 3.97Å; M349-F384 HydrophobicContact CE-CD2 4Å; M349-F384 HydrophobicContact CE-CE1 3.75Å; M349-F384 HydrophobicContact CE-CE2 3.78Å; M349-F384 HydrophobicContact CE-CG 4.11Å; M349-F384 HydrophobicContact CE-CZ 3.65Å; M349-V387 HydrophobicContact SD-CB 4.01Å; M349-V387 HydrophobicContact SD-CG1 4.11Å; M349-V387 HydrophobicContact SD-CG2 3.86Å; M349-V396 HydrophobicContact SD-CB 4.31Å; M349-V396 HydrophobicContact SD-CG1 3.91Å
350	T	98.7	Very high	98.4	Very high	34 Å²	34	23.5 Å²	23.5	21%	0.209	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-45.5	176.7	-56.9	0	0	0	0	111.5	A318 Y327 A331 G346 I347 A352 H353 E354	A318-T350 HydrophobicContact CB-CG2 3.62Å; Y327-T350 HydrophobicContact CD1-CG2 3.88Å; Y327-T350 HydrophobicContact CE1-CG2 3.96Å; A331-T350 HydrophobicContact CB-CG2 4.14Å; G346-T350 PolarHBondContact O-N 3.27Å; G346-T350 PolarHBondContact O-OG1 2.92Å; G346-T350 VanDerWaalsContact O-OG1 3.09Å; I347-T350 PolarHBondContact O-N 3.28Å; T350-A352 VanDerWaalsContact C-N 3.27Å; T350-A352 PolarHBondContact O-N 2.69Å; T350-H353 WeakPolarHBondContact O-CB 3.28Å; T350-H353 PolarHBondContact O-N 3.09Å; T350-H353 VanDerWaalsContact O-N 3.13Å; T350-E354 HydrophobicContact CG2-CG 4.38Å; T350-E354 WeakPolarHBondContact O-CG 3.48Å; T350-E354 PolarHBondContact O-N 2.81Å
351	V	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-39.3	175	174.1	0	0	0	0	111.1	A286 L289 L308 Y327 L332 I347 H353 L355	A286-V351 HydrophobicContact CB-CG1 3.84Å; L289-V351 HydrophobicContact CD1-CB 4.32Å; L289-V351 HydrophobicContact CD1-CG1 3.87Å; L308-V351 HydrophobicContact CD2-CG1 4.11Å; L308-V351 HydrophobicContact CD2-CG2 4.22Å; Y327-V351 HydrophobicContact CE1-CG2 4.23Å; L332-V351 HydrophobicContact CD1-CG2 3.86Å; I347-V351 HydrophobicContact CG2-CG2 4.36Å; I347-V351 WeakPolarHBondContact O-CB 3.01Å; I347-V351 WeakPolarHBondContact O-CG2 3.3Å; I347-V351 PolarHBondContact O-N 3.27Å; V351-H353 VanDerWaalsContact C-N 3.35Å; V351-H353 PolarHBondContact O-N 2.85Å; V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.37Å; V351-L355 WeakPolarHBondContact O-CB 3.34Å; V351-L355 VanDerWaalsContact O-CG 3.24Å; V351-L355 WeakPolarHBondContact O-CG 3.28Å; V351-L355 PolarHBondContact O-N 3.09Å; V351-L355 VanDerWaalsContact O-N 3.1Å
352	A	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-38.5	175.5	0	0	0	0	0	112.8	L289 Y293 T348 M349 T350 A356 V387	L289-A352 HydrophobicContact CD1-CB 3.89Å; L289-A352 HydrophobicContact CD2-CB 3.87Å; Y293-A352 PolarHBondContact OH-O 3.01Å; T348-A352 VanDerWaalsContact O-CB 3.3Å; T348-A352 WeakPolarHBondContact O-CB 3.48Å; T348-A352 PolarHBondContact O-N 3.35Å; M349-A352 PolarHBondContact O-N 3.4Å; T350-A352 VanDerWaalsContact C-N 3.27Å; T350-A352 PolarHBondContact O-N 2.69Å; A352-A356 WeakPolarHBondContact O-CB 3.35Å; A352-A356 PolarHBondContact O-N 2.64Å; A352-V387 HydrophobicContact CB-CG2 3.57Å
353	H	98.8	Very high	98.5	Very high	13 Å²	13	12.7 Å²	12.7	6%	0.06	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-55.7	176.5	-168.3	89.1	0	0	0	111.4	M349 T350 V351 L355 A356 H357 E376 K380 E383 Y438	M349-H353 WeakPolarHBondContact O-CB 3.48Å; M349-H353 PolarHBondContact O-N 2.92Å; T350-H353 WeakPolarHBondContact O-CB 3.28Å; T350-H353 PolarHBondContact O-N 3.09Å; T350-H353 VanDerWaalsContact O-N 3.13Å; V351-H353 VanDerWaalsContact C-N 3.35Å; V351-H353 PolarHBondContact O-N 2.85Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 3Å; H353-A356 WeakPolarHBondContact O-CB 3.48Å; H353-A356 PolarHBondContact O-N 2.68Å; H353-H357 AromaticContact CD2-CD2 3.5Å; H353-H357 AromaticContact CD2-NE2 3.23Å; H353-H357 PolarHBondContact CD2-NE2 3.28Å; H353-H357 AromaticContact CE1-NE2 3.81Å; H353-H357 AromaticContact NE2-CD2 3.83Å; H353-H357 AromaticContact NE2-NE2 3.04Å; H353-H357 PolarHBondContact NE2-NE2 2.67Å; H353-H357 PolarHBondContact O-CD2 2.82Å; H353-H357 VanDerWaalsContact O-CD2 3.29Å; H353-H357 PolarHBondContact O-N 3.4Å; H353-H357 VanDerWaalsContact O-N 3.12Å; H353-E376 IonicContact NE2-OE2 3.88Å; H353-K380 PolarHBondContact ND1-N 2.97Å; H353-E383 HydrophobicContact CB-CG 3.8Å; H353-E383 IonicContact CE1-OE1 3.28Å; H353-E383 IonicContact CG-OE1 3.35Å; H353-E383 IonicContact ND1-OE1 2.79Å; H353-E383 PolarHBondContact ND1-OE1 3.28Å; H353-Y438 AromaticContact CE1-CE1 3.87Å; H353-Y438 AromaticContact NE2-CE1 3.8Å
354	E	98.8	Very high	98.6	Very high	9 Å²	9	11.1 Å²	11.1	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-62	-34.5	-178.8	-58.4	-41.4	126.2	0	0	112.7	A318 M319 E320 T325 Y327 T350 Q358	A318-E354 HydrophobicContact CB-CG 3.63Å; A318-E354 VanDerWaalsContact CB-OE1 3.28Å; A318-E354 WeakPolarHBondContact CB-OE1 3.44Å; M319-E354 WeakPolarHBondContact CA-OE2 3.12Å; M319-E354 PolarHBondContact N-OE2 2.85Å; E320-E354 VanDerWaalsContact CA-OE2 3.32Å; E320-E354 WeakPolarHBondContact CA-OE2 3.25Å; E320-E354 PolarHBondContact N-OE2 3.11Å; E320-E354 VanDerWaalsContact N-OE2 3.08Å; T325-E354 HydrophobicContact CG2-CB 4.02Å; Y327-E354 HydrophobicContact CD1-CG 4.35Å; Y327-E354 HydrophobicContact CE1-CB 4.2Å; Y327-E354 HydrophobicContact CE1-CG 3.42Å; Y327-E354 VanDerWaalsContact CE1-CG 3.42Å; Y327-E354 WeakPolarHBondContact OH-CB 3.41Å; Y327-E354 WeakPolarHBondContact OH-CG 3.34Å; T350-E354 HydrophobicContact CG2-CG 4.38Å; T350-E354 WeakPolarHBondContact O-CG 3.48Å; T350-E354 PolarHBondContact O-N 2.81Å; E354-Q358 PolarHBondContact O-NE2 2.97Å
355	L	98.9	Very high	98.6	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-75.4	-30.6	176.2	-67.7	-177.7	0	0	0	112.5	A286 L289 L290 Y293 Q306 V351 H353 H357 Q358 W359	A286-L355 HydrophobicContact CB-CD1 4.15Å; A286-L355 WeakPolarHBondContact O-CD1 3.45Å; L289-L355 HydrophobicContact CB-CD1 3.73Å; L290-L355 HydrophobicContact CB-CD1 4.26Å; L290-L355 HydrophobicContact CD1-CD2 4.39Å; Y293-L355 HydrophobicContact CD2-CB 3.92Å; Y293-L355 HydrophobicContact CE2-CB 3.71Å; Q306-L355 HydrophobicContact CG-CD2 4Å; V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.37Å; V351-L355 WeakPolarHBondContact O-CB 3.34Å; V351-L355 VanDerWaalsContact O-CG 3.24Å; V351-L355 WeakPolarHBondContact O-CG 3.28Å; V351-L355 PolarHBondContact O-N 3.09Å; V351-L355 VanDerWaalsContact O-N 3.1Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 3Å; L355-H357 VanDerWaalsContact C-N 3.3Å; L355-H357 PolarHBondContact O-N 3.08Å; L355-Q358 HydrophobicContact CD2-CG 4.48Å; L355-Q358 WeakPolarHBondContact O-CB 3.36Å; L355-Q358 WeakPolarHBondContact O-CG 3.38Å; L355-Q358 PolarHBondContact O-N 3.37Å; L355-W359 WeakPolarHBondContact O-CZ3 3.48Å
356	A	98.9	Very high	98.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.7	-38.8	171.8	0	0	0	0	0	111.5	Y293 A352 H353 Q358 W359 F360 A379 M382	Y293-A356 HydrophobicContact CE1-CB 4.26Å; Y293-A356 HydrophobicContact CE2-CB 4.34Å; A352-A356 WeakPolarHBondContact O-CB 3.35Å; A352-A356 PolarHBondContact O-N 2.64Å; H353-A356 WeakPolarHBondContact O-CB 3.48Å; H353-A356 PolarHBondContact O-N 2.68Å; A356-Q358 PolarHBondContact O-N 2.81Å; A356-Q358 VanDerWaalsContact O-N 3.13Å; A356-W359 PolarHBondContact O-N 3.35Å; A356-F360 PolarHBondContact O-N 2.86Å; A356-A379 HydrophobicContact CB-CB 4.26Å; A356-M382 HydrophobicContact CB-CB 3.66Å; A356-M382 HydrophobicContact CB-CG 4.41Å
357	H	98.8	Very high	98.6	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-60.2	-22.3	178.1	-80.6	-64.1	0	0	0	114.4	E320 H353 L355 W359 F360 G361 N362 E376 A379	E320-H357 HydrophobicContact CB-CB 3.31Å; E320-H357 HydrophobicContact CG-CB 3.59Å; E320-H357 IonicContact OE1-ND1 3.63Å; H353-H357 AromaticContact CD2-CD2 3.5Å; H353-H357 AromaticContact CD2-NE2 3.23Å; H353-H357 PolarHBondContact CD2-NE2 3.28Å; H353-H357 AromaticContact CE1-NE2 3.81Å; H353-H357 AromaticContact NE2-CD2 3.83Å; H353-H357 AromaticContact NE2-NE2 3.04Å; H353-H357 PolarHBondContact NE2-NE2 2.67Å; H353-H357 PolarHBondContact O-CD2 2.82Å; H353-H357 VanDerWaalsContact O-CD2 3.29Å; H353-H357 PolarHBondContact O-N 3.4Å; H353-H357 VanDerWaalsContact O-N 3.12Å; L355-H357 VanDerWaalsContact C-N 3.3Å; L355-H357 PolarHBondContact O-N 3.08Å; H357-W359 PolarHBondContact O-N 2.84Å; H357-W359 VanDerWaalsContact O-N 3.08Å; H357-F360 WeakPolarHBondContact CA-O 3.45Å; H357-F360 PolarHBondContact ND1-O 3.14Å; H357-F360 CarbonylContact O-C 3.55Å; H357-F360 PolarHBondContact O-N 2.8Å; H357-G361 PolarHBondContact O-N 3.42Å; H357-N362 WeakPolarHBondContact O-CB 3.31Å; H357-N362 PolarHBondContact O-N 3.04Å; H357-E376 IonicContact CE1-OE1 3.61Å; H357-E376 PolarHBondContact CE1-OE1 3.23Å; H357-E376 VanDerWaalsContact CE1-OE1 3.28Å; H357-E376 IonicContact CE1-OE2 2.67Å; H357-E376 IonicContact NE2-OE1 2.84Å; H357-E376 IonicContact NE2-OE2 3.35Å; H357-A379 WeakPolarHBondContact CE1-CB 3.44Å; H357-A379 WeakPolarHBondContact NE2-CB 3.4Å
358	Q	98.8	Very high	98.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.1	174.4	-50.9	-51.6	-56.4	0	0	111.9	Y301 E320 E354 L355 A356 N362 L363	Y301-Q358 HydrophobicContact CD2-CB 4.03Å; Y301-Q358 HydrophobicContact CD2-CG 4.35Å; Y301-Q358 HydrophobicContact CE2-CB 3.91Å; Y301-Q358 HydrophobicContact CE2-CG 3.89Å; E320-Q358 PolarHBondContact O-NE2 2.9Å; E320-Q358 VanDerWaalsContact O-NE2 3.09Å; E354-Q358 PolarHBondContact O-NE2 2.97Å; L355-Q358 HydrophobicContact CD2-CG 4.48Å; L355-Q358 WeakPolarHBondContact O-CB 3.36Å; L355-Q358 WeakPolarHBondContact O-CG 3.38Å; L355-Q358 PolarHBondContact O-N 3.37Å; A356-Q358 PolarHBondContact O-N 2.81Å; A356-Q358 VanDerWaalsContact O-N 3.13Å; Q358-N362 PolarHBondContact NE2-ND2 3.24Å; Q358-N362 PolarHBondContact OE1-ND2 2.81Å; Q358-L363 WeakPolarHBondContact O-CB 3.42Å; Q358-L363 PolarHBondContact O-N 3.18Å
359	W	98.9	Very high	98.6	Very high	2 Å²	2	9 Å²	9	1%	0.008	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-48.1	169.1	-69.2	-98.6	0	0	0	112.5	L290 Y293 E294 F297 I299 Y301 L355 A356 H357 G361 V364 L465	L290-W359 HydrophobicContact CD1-CH2 3.78Å; L290-W359 HydrophobicContact CD1-CZ3 4.02Å; Y293-W359 HydrophobicContact CD2-CZ3 4.24Å; Y293-W359 HydrophobicContact CG-CE3 4.44Å; Y293-W359 HydrophobicContact CG-CZ3 4.08Å; E294-W359 HydrophobicContact CG-CH2 4.04Å; E294-W359 HydrophobicContact CG-CZ2 3.93Å; F297-W359 HydrophobicContact CD2-CB 4.28Å; F297-W359 AromaticContact CD2-CD1 3.85Å; F297-W359 AromaticContact CD2-CD2 3.72Å; F297-W359 HydrophobicContact CD2-CD2 3.72Å; F297-W359 AromaticContact CD2-CE2 3.94Å; F297-W359 HydrophobicContact CD2-CE3 4.27Å; F297-W359 AromaticContact CD2-CG 3.69Å; F297-W359 HydrophobicContact CD2-CG 3.69Å; F297-W359 AromaticContact CD2-NE1 3.97Å; F297-W359 HydrophobicContact CE2-CB 4.3Å; F297-W359 HydrophobicContact CE2-CD2 4.11Å; F297-W359 HydrophobicContact CE2-CE3 4.28Å; F297-W359 HydrophobicContact CE2-CG 4.11Å; F297-W359 HydrophobicContact CG-CG 4.47Å; I299-W359 WeakPolarHBondContact O-CZ2 3.46Å; I299-W359 PolarHBondContact O-NE1 2.99Å; I299-W359 VanDerWaalsContact O-NE1 3.15Å; Y301-W359 HydrophobicContact CD2-CH2 4.49Å; L355-W359 WeakPolarHBondContact O-CZ3 3.48Å; A356-W359 PolarHBondContact O-N 3.35Å; H357-W359 PolarHBondContact O-N 2.84Å; H357-W359 VanDerWaalsContact O-N 3.08Å; W359-G361 PolarHBondContact O-N 3.1Å; W359-V364 PolarHBondContact O-N 2.82Å; W359-V364 VanDerWaalsContact O-N 3.15Å; W359-L465 HydrophobicContact CB-CD1 4.08Å; W359-L465 HydrophobicContact CB-CD2 4.14Å; W359-L465 HydrophobicContact CG-CD1 4.44Å
360	F	98.4	Very high	98.6	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.009	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-98.7	79.5	-178.3	-60.8	-79.7	0	0	0	112.4	F297 A356 H357 F378 M382 I461 Y464 L465	F297-F360 AromaticContact CE1-CE2 3.78Å; F297-F360 HydrophobicContact CE1-CE2 3.78Å; F297-F360 HydrophobicContact CE1-CZ 4.1Å; F297-F360 HydrophobicContact CE2-CE2 4.23Å; F297-F360 HydrophobicContact CZ-CD2 4.4Å; F297-F360 AromaticContact CZ-CE2 3.51Å; F297-F360 HydrophobicContact CZ-CE2 3.51Å; F297-F360 HydrophobicContact CZ-CZ 4.29Å; A356-F360 PolarHBondContact O-N 2.86Å; H357-F360 WeakPolarHBondContact CA-O 3.45Å; H357-F360 PolarHBondContact ND1-O 3.14Å; H357-F360 CarbonylContact O-C 3.55Å; H357-F360 PolarHBondContact O-N 2.8Å; F360-F378 HydrophobicContact CB-CB 3.82Å; F360-F378 HydrophobicContact CD1-CB 3.69Å; F360-F378 AromaticContact CD1-CD1 3.82Å; F360-F378 HydrophobicContact CD1-CD1 3.82Å; F360-F378 HydrophobicContact CD1-CD2 4.2Å; F360-F378 AromaticContact CD1-CG 3.61Å; F360-F378 HydrophobicContact CD1-CG 3.61Å; F360-F378 HydrophobicContact CD2-CB 4.17Å; F360-F378 HydrophobicContact CE1-CB 4.22Å; F360-F378 AromaticContact CE1-CD1 3.45Å; F360-F378 HydrophobicContact CE1-CD1 3.45Å; F360-F378 VanDerWaalsContact CE1-CD1 3.45Å; F360-F378 HydrophobicContact CE1-CD2 4.41Å; F360-F378 AromaticContact CE1-CE1 3.91Å; F360-F378 HydrophobicContact CE1-CE1 3.91Å; F360-F378 AromaticContact CE1-CG 3.75Å; F360-F378 HydrophobicContact CE1-CG 3.75Å; F360-F378 HydrophobicContact CE2-CD1 4.27Å; F360-F378 HydrophobicContact CG-CB 3.64Å; F360-F378 HydrophobicContact CG-CD1 4.36Å; F360-F378 HydrophobicContact CG-CG 4.09Å; F360-F378 AromaticContact CZ-CD1 3.68Å; F360-F378 HydrophobicContact CZ-CD1 3.68Å; F360-F378 HydrophobicContact CZ-CE1 4.21Å; F360-F378 HydrophobicContact CZ-CG 4.31Å; F360-M382 HydrophobicContact CD2-CG 4.3Å; F360-M382 HydrophobicContact CE2-CE 3.9Å; F360-M382 HydrophobicContact CE2-CG 3.91Å; F360-M382 HydrophobicContact CE2-SD 4.5Å; F360-M382 HydrophobicContact CZ-CE 4.01Å; F360-I461 HydrophobicContact CE1-CD1 4.26Å; F360-I461 HydrophobicContact CE1-CG2 4.15Å; F360-I461 HydrophobicContact CZ-CD1 4.34Å; F360-I461 HydrophobicContact CZ-CG2 3.5Å; F360-Y464 HydrophobicContact CD1-CE1 4.47Å; F360-Y464 HydrophobicContact CE1-CD1 4.46Å; F360-Y464 HydrophobicContact CE1-CE1 4.38Å; F360-L465 HydrophobicContact CD1-CD2 4.04Å; F360-L465 HydrophobicContact CE1-CD1 4.31Å; F360-L465 HydrophobicContact CE1-CD2 3.93Å; F360-L465 HydrophobicContact CE1-CG 4.24Å; F360-L465 HydrophobicContact CE2-CD1 4.36Å; F360-L465 HydrophobicContact CZ-CD1 3.98Å; F360-L465 HydrophobicContact CZ-CD2 4.39Å; F360-L465 HydrophobicContact CZ-CG 4.4Å
361	G	97.6	Very high	98.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	143.6	-45.9	179.9	0	0	0	0	0	110.6	Y245 H357 W359 V364 T365 N375	Y245-G361 PolarHBondContact OH-O 3.08Å; H357-G361 PolarHBondContact O-N 3.42Å; W359-G361 PolarHBondContact O-N 3.1Å; G361-V364 CarbonylContact C-O 3.57Å; G361-V364 VanDerWaalsContact CA-O 3.28Å; G361-V364 WeakPolarHBondContact CA-O 3.22Å; G361-V364 PolarHBondContact N-O 3.22Å; G361-T365 VanDerWaalsContact O-CB 3.3Å; G361-T365 WeakPolarHBondContact O-CB 3.34Å; G361-T365 WeakPolarHBondContact O-CG2 3.4Å; G361-T365 PolarHBondContact O-OG1 2.78Å; G361-N375 VanDerWaalsContact CA-CG 3.46Å; G361-N375 VanDerWaalsContact CA-ND2 3.28Å; G361-N375 WeakPolarHBondContact CA-ND2 3.43Å
362	N	98.3	Very high	98.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-65	-178.5	-66	2.3	0	0	0	111.7	K200 L246 E320 W322 H357 Q358	K200-N362 PolarHBondContact NZ-O 2.9Å; L246-N362 HydrophobicContact CD1-CB 4.09Å; L246-N362 VanDerWaalsContact CD1-OD1 3.22Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.39Å; L246-N362 WeakPolarHBondContact CD2-OD1 3.39Å; E320-N362 WeakPolarHBondContact CG-OD1 3.33Å; E320-N362 PolarHBondContact O-ND2 2.83Å; W322-N362 WeakPolarHBondContact CA-ND2 3.47Å; W322-N362 HydrophobicContact CB-CB 4.46Å; W322-N362 WeakPolarHBondContact CB-ND2 3.34Å; W322-N362 HydrophobicContact CD2-CB 3.57Å; W322-N362 HydrophobicContact CE3-CB 3.68Å; W322-N362 HydrophobicContact CG-CB 3.95Å; W322-N362 HydrophobicContact CH2-CB 4.32Å; W322-N362 HydrophobicContact CZ2-CB 4.19Å; W322-N362 HydrophobicContact CZ3-CB 4.06Å; W322-N362 VanDerWaalsContact CZ3-O 3.28Å; W322-N362 WeakPolarHBondContact CZ3-O 3.44Å; H357-N362 WeakPolarHBondContact O-CB 3.31Å; H357-N362 PolarHBondContact O-N 3.04Å; Q358-N362 PolarHBondContact NE2-ND2 3.24Å; Q358-N362 PolarHBondContact OE1-ND2 2.81Å
363	L	98.7	Very high	98.5	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.026	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-50.4	178.8	-176.9	64.8	0	0	0	111.4	K200 I299 W322 Q358 Y470	K200-L363 PolarHBondContact NZ-O 3.37Å; I299-L363 HydrophobicContact CG2-CD2 3.97Å; W322-L363 HydrophobicContact CH2-CB 4.16Å; W322-L363 HydrophobicContact CH2-CD1 4.19Å; W322-L363 HydrophobicContact CZ2-CB 4.25Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; Q358-L363 WeakPolarHBondContact O-CB 3.42Å; Q358-L363 PolarHBondContact O-N 3.18Å; L363-Y470 HydrophobicContact CD1-CD1 4.02Å; L363-Y470 HydrophobicContact CD1-CD2 4.19Å; L363-Y470 HydrophobicContact CD1-CE1 3.78Å; L363-Y470 HydrophobicContact CD1-CE2 3.96Å; L363-Y470 HydrophobicContact CD1-CG 4.22Å; L363-Y470 WeakPolarHBondContact O-CA 3.48Å; L363-Y470 PolarHBondContact O-N 2.93Å
364	V	98.8	Very high	98.5	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.012	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.6	173.7	-174.4	0	0	0	0	108.2	W359 G361 Y464 L465 H468 T473	W359-V364 PolarHBondContact O-N 2.82Å; W359-V364 VanDerWaalsContact O-N 3.15Å; G361-V364 CarbonylContact C-O 3.57Å; G361-V364 VanDerWaalsContact CA-O 3.28Å; G361-V364 WeakPolarHBondContact CA-O 3.22Å; G361-V364 PolarHBondContact N-O 3.22Å; V364-Y464 HydrophobicContact CB-CE1 4.46Å; V364-Y464 HydrophobicContact CG1-CE1 3.95Å; V364-L465 HydrophobicContact CB-CD2 4.23Å; V364-L465 HydrophobicContact CG2-CD2 3.8Å; V364-H468 HydrophobicContact CG1-CB 3.84Å; V364-H468 HydrophobicContact CG2-CB 4.15Å; V364-T473 HydrophobicContact CG1-CG2 3.61Å
365	T	98.6	Very high	98.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.4	-175.3	-45.9	0	0	0	0	109.3	P197 K200 Y245 G361 K471 N472 T473	P197-T365 HydrophobicContact CB-CG2 4Å; K200-T365 WeakPolarHBondContact CE-OG1 3.48Å; K200-T365 PolarHBondContact NZ-OG1 2.64Å; Y245-T365 HydrophobicContact CE1-CG2 3.92Å; G361-T365 VanDerWaalsContact O-CB 3.3Å; G361-T365 WeakPolarHBondContact O-CB 3.34Å; G361-T365 WeakPolarHBondContact O-CG2 3.4Å; G361-T365 PolarHBondContact O-OG1 2.78Å; T365-K471 PolarHBondContact N-O 3.47Å; T365-N472 CarbonylContact O-C 3.43Å; T365-N472 WeakPolarHBondContact O-CA 3.05Å; T365-N472 WeakPolarHBondContact O-CB 3.43Å; T365-T473 PolarHBondContact O-N 3.01Å
366	M	98.6	Very high	98.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	147	166.2	70.1	-62.1	-172.2	0	0	112	W368 W369 D371 L372 L374 N375 N472 T473	M366-W368 VanDerWaalsContact C-N 3.33Å; M366-W368 VanDerWaalsContact CG-O 3.27Å; M366-W368 WeakPolarHBondContact CG-O 3.48Å; M366-W369 HydrophobicContact CE-CD2 3.89Å; M366-W369 HydrophobicContact CE-CE3 3.2Å; M366-W369 HydrophobicContact CE-CH2 3.6Å; M366-W369 HydrophobicContact CE-CZ2 4.27Å; M366-W369 HydrophobicContact CE-CZ3 3.04Å; M366-D371 HydrophobicContact CB-CB 4.17Å; M366-D371 WeakPolarHBondContact CB-O 3.39Å; M366-L372 HydrophobicContact CE-CD1 3.88Å; M366-L374 HydrophobicContact CB-CD1 4.43Å; M366-N375 PolarHBondContact N-OD1 2.94Å; M366-N375 VanDerWaalsContact SD-CG 3.51Å; M366-N375 PolarHBondContact SD-ND2 2.99Å; M366-N375 PolarHBondContact SD-OD1 2.92Å; M366-N375 VanDerWaalsContact SD-OD1 3.33Å; M366-N472 PolarHBondContact O-ND2 3.02Å; M366-T473 CarbonylContact C-O 3.5Å; M366-T473 WeakPolarHBondContact CA-O 3.42Å
367	E	98.4	Very high	98.4	Very high	75 Å²	75	8 Å²	8	35%	0.35	4%	0.038	S	C	.	.	S	Bend	trans	-67.2	-37.9	176.6	-172.7	-177.6	-82.6	0	0	111.5	A198 N472 T473 K474	A198-E367 HydrophobicContact CB-CG 4.19Å; E367-N472 HydrophobicContact CB-CB 4.13Å; E367-T473 PolarHBondContact N-O 2.93Å; E367-K474 HydrophobicContact CB-CG 4.27Å; E367-K474 WeakPolarHBondContact OE1-CE 3.13Å; E367-K474 IonicContact OE1-NZ 3.03Å; E367-K474 PolarHBondContact OE1-NZ 3.28Å; E367-K474 WeakPolarHBondContact OE2-CE 3.43Å; E367-K474 IonicContact OE2-NZ 2.62Å; E367-K474 PolarHBondContact OE2-NZ 3.42Å
368	W	98.6	Very high	98.4	Very high	21 Å²	21	7.9 Å²	7.9	8%	0.08	4%	0.038	C	C	.	.	S	Bend	trans	-149.8	160.5	176.5	-177.9	-113.3	0	0	0	110.3	E196 P197 M366 N370 D371 V423 I429	E196-W368 HydrophobicContact CB-CE3 4.44Å; E196-W368 HydrophobicContact CB-CZ3 3.92Å; E196-W368 HydrophobicContact CG-CZ3 3.92Å; P197-W368 HydrophobicContact CG-CE3 4.45Å; M366-W368 VanDerWaalsContact C-N 3.33Å; M366-W368 VanDerWaalsContact CG-O 3.27Å; M366-W368 WeakPolarHBondContact CG-O 3.48Å; W368-N370 WeakPolarHBondContact CB-OD1 3.16Å; W368-N370 VanDerWaalsContact CD1-OD1 3.24Å; W368-N370 PolarHBondContact O-N 3.03Å; W368-D371 PolarHBondContact O-N 3.44Å; W368-D371 VanDerWaalsContact O-N 3.07Å; W368-V423 PolarHBondContact NE1-O 3.45Å; W368-I429 HydrophobicContact CH2-CD1 3.93Å; W368-I429 HydrophobicContact CZ2-CD1 3.82Å; W368-I429 HydrophobicContact CZ2-CG1 4.44Å
369	W	98.4	Very high	98.4	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.008	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-61.3	-12.3	-173.8	-57.6	105	0	0	0	115	E183 P184 P197 Y245 M366 D371 L372 V423 I429 F433	E183-W369 HydrophobicContact CG-CH2 3.76Å; E183-W369 HydrophobicContact CG-CZ3 3.97Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.29Å; P184-W369 HydrophobicContact CB-CD2 4.14Å; P184-W369 HydrophobicContact CB-CE3 4.04Å; P184-W369 HydrophobicContact CB-CH2 3.66Å; P184-W369 HydrophobicContact CB-CZ2 3.69Å; P184-W369 HydrophobicContact CB-CZ3 3.8Å; P184-W369 WeakPolarHBondContact O-CZ2 3.3Å; P197-W369 HydrophobicContact CG-CZ2 4.17Å; Y245-W369 HydrophobicContact CD1-CH2 4.07Å; Y245-W369 HydrophobicContact CD1-CZ2 4.38Å; Y245-W369 HydrophobicContact CE1-CH2 4.33Å; Y245-W369 HydrophobicContact CG-CH2 4.2Å; M366-W369 HydrophobicContact CE-CD2 3.89Å; M366-W369 HydrophobicContact CE-CE3 3.2Å; M366-W369 HydrophobicContact CE-CH2 3.6Å; M366-W369 HydrophobicContact CE-CZ2 4.27Å; M366-W369 HydrophobicContact CE-CZ3 3.04Å; W369-D371 PolarHBondContact O-N 2.9Å; W369-L372 HydrophobicContact CE3-CD1 4.01Å; W369-L372 HydrophobicContact CZ3-CD1 4.02Å; W369-L372 WeakPolarHBondContact O-CB 3.4Å; W369-L372 PolarHBondContact O-N 3.39Å; W369-V423 HydrophobicContact CB-CG2 3.81Å; W369-I429 HydrophobicContact CB-CB 4.41Å; W369-I429 HydrophobicContact CB-CG1 4.03Å; W369-I429 HydrophobicContact CB-CG2 3.74Å; W369-I429 HydrophobicContact CD2-CG2 3.56Å; W369-I429 HydrophobicContact CE3-CG2 4Å; W369-I429 HydrophobicContact CG-CB 4.35Å; W369-I429 HydrophobicContact CG-CD1 4.23Å; W369-I429 HydrophobicContact CG-CG1 4.04Å; W369-I429 HydrophobicContact CG-CG2 3.39Å; W369-F433 HydrophobicContact CE3-CE2 4.37Å; W369-F433 HydrophobicContact CE3-CZ 4.21Å; W369-F433 HydrophobicContact CZ3-CE2 4.41Å; W369-F433 AromaticContact CZ3-CZ 3.84Å; W369-F433 HydrophobicContact CZ3-CZ 3.84Å
370	N	97.8	Very high	98.4	Very high	44 Å²	44	9.2 Å²	9.2	24%	0.235	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-62.1	-24.9	171.9	67.5	-87.4	0	0	0	112.9	W368 S420 T421	W368-N370 WeakPolarHBondContact CB-OD1 3.16Å; W368-N370 VanDerWaalsContact CD1-OD1 3.24Å; W368-N370 PolarHBondContact O-N 3.03Å; N370-S420 WeakPolarHBondContact O-CA 3.43Å; N370-T421 VanDerWaalsContact CA-O 3.24Å; N370-T421 WeakPolarHBondContact CA-O 3.47Å; N370-T421 WeakPolarHBondContact CB-O 3.47Å; N370-T421 PolarHBondContact O-N 3.42Å
371	D	98.3	Very high	98.4	Very high	8 Å²	8	9.3 Å²	9.3	4%	0.043	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-112.5	30	178.8	-71.2	-24.6	0	0	0	111.3	M366 W368 W369 W373 L374 S420 N475	M366-D371 HydrophobicContact CB-CB 4.17Å; M366-D371 WeakPolarHBondContact CB-O 3.39Å; W368-D371 PolarHBondContact O-N 3.44Å; W368-D371 VanDerWaalsContact O-N 3.07Å; W369-D371 PolarHBondContact O-N 2.9Å; D371-W373 PolarHBondContact O-N 3.28Å; D371-W373 VanDerWaalsContact O-N 3.08Å; D371-L374 HydrophobicContact CB-CD1 3.81Å; D371-L374 HydrophobicContact CB-CG 4.15Å; D371-L374 WeakPolarHBondContact O-CB 3.23Å; D371-L374 WeakPolarHBondContact O-CG 3.34Å; D371-L374 PolarHBondContact O-N 2.91Å; D371-S420 WeakPolarHBondContact OD1-CB 3.37Å; D371-S420 PolarHBondContact OD1-OG 3.48Å; D371-N475 PolarHBondContact OD2-N 2.58Å
372	L	98.1	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.6	177.5	173.9	63.5	0	0	0	112.8	M366 W369 L374 N375 E376 M432 F433	M366-L372 HydrophobicContact CE-CD1 3.88Å; W369-L372 HydrophobicContact CE3-CD1 4.01Å; W369-L372 HydrophobicContact CZ3-CD1 4.02Å; W369-L372 WeakPolarHBondContact O-CB 3.4Å; W369-L372 PolarHBondContact O-N 3.39Å; L372-L374 PolarHBondContact O-N 2.93Å; L372-N375 WeakPolarHBondContact O-CB 3.19Å; L372-N375 PolarHBondContact O-N 3.09Å; L372-E376 HydrophobicContact CD1-CG 3.8Å; L372-E376 HydrophobicContact CD2-CG 4.26Å; L372-E376 HydrophobicContact CG-CG 3.76Å; L372-E376 PolarHBondContact O-N 3.25Å; L372-E376 VanDerWaalsContact O-N 3.12Å; L372-M432 HydrophobicContact CB-CB 4.44Å; L372-M432 HydrophobicContact CD2-CB 3.71Å; L372-F433 HydrophobicContact CD1-CE1 3.99Å; L372-F433 HydrophobicContact CD1-CZ 3.9Å; L372-F433 HydrophobicContact CD2-CD1 3.82Å; L372-F433 HydrophobicContact CD2-CD2 3.62Å; L372-F433 HydrophobicContact CD2-CE1 3.76Å; L372-F433 HydrophobicContact CD2-CE2 3.57Å; L372-F433 HydrophobicContact CD2-CG 3.75Å; L372-F433 HydrophobicContact CD2-CZ 3.64Å; L372-F433 HydrophobicContact CG-CE1 4.5Å; L372-F433 HydrophobicContact CG-CZ 4.45Å
373	W	98.6	Very high	98.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.8	-22.7	176.8	83.9	-88.8	0	0	0	114	D371 N375 G377 F378 V419 S420 I444 L445 N475 L478 W479 T525	D371-W373 PolarHBondContact O-N 3.28Å; D371-W373 VanDerWaalsContact O-N 3.08Å; W373-N375 PolarHBondContact O-N 3.42Å; W373-G377 VanDerWaalsContact O-CA 3.31Å; W373-G377 WeakPolarHBondContact O-CA 3.46Å; W373-G377 PolarHBondContact O-N 3.5Å; W373-F378 HydrophobicContact CZ3-CE2 4.34Å; W373-V419 HydrophobicContact CB-CG1 3.5Å; W373-V419 HydrophobicContact CD2-CG1 3.71Å; W373-V419 HydrophobicContact CE3-CG1 4.24Å; W373-V419 HydrophobicContact CG-CG1 3.33Å; W373-S420 PolarHBondContact NE1-OG 3.27Å; W373-I444 HydrophobicContact CZ3-CD1 4.48Å; W373-L445 HydrophobicContact CH2-CD2 4.48Å; W373-L445 HydrophobicContact CZ3-CD1 4.28Å; W373-L445 HydrophobicContact CZ3-CD2 4.06Å; W373-L445 HydrophobicContact CZ3-CG 4.12Å; W373-N475 WeakPolarHBondContact CZ2-OD1 3.42Å; W373-N475 PolarHBondContact NE1-OD1 3.38Å; W373-L478 HydrophobicContact CH2-CD2 3.56Å; W373-L478 HydrophobicContact CZ2-CD2 4.09Å; W373-L478 HydrophobicContact CZ3-CD2 4.47Å; W373-W479 AromaticContact CH2-CH2 3.57Å; W373-W479 HydrophobicContact CH2-CH2 3.57Å; W373-W479 AromaticContact CH2-CZ2 3.61Å; W373-W479 HydrophobicContact CH2-CZ2 3.61Å; W373-W479 HydrophobicContact CZ2-CH2 4.21Å; W373-W479 AromaticContact CZ2-CZ2 3.78Å; W373-W479 HydrophobicContact CZ2-CZ2 3.78Å; W373-T525 HydrophobicContact CH2-CG2 4.34Å; W373-T525 HydrophobicContact CZ2-CG2 3.95Å
374	L	98.3	Very high	98.5	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-65	-23.4	173.5	-67.7	177.6	0	0	0	112.7	M366 D371 L372 F378 L478	M366-L374 HydrophobicContact CB-CD1 4.43Å; D371-L374 HydrophobicContact CB-CD1 3.81Å; D371-L374 HydrophobicContact CB-CG 4.15Å; D371-L374 WeakPolarHBondContact O-CB 3.23Å; D371-L374 WeakPolarHBondContact O-CG 3.34Å; D371-L374 PolarHBondContact O-N 2.91Å; L372-L374 PolarHBondContact O-N 2.93Å; L374-F378 HydrophobicContact CD2-CE2 4.42Å; L374-F378 VanDerWaalsContact O-CD2 3.25Å; L374-F378 WeakPolarHBondContact O-CD2 3.17Å; L374-L478 HydrophobicContact CD2-CB 4.28Å; L374-L478 HydrophobicContact CD2-CD2 3.79Å
375	N	98.1	Very high	98.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-90.1	-66.7	168.8	-64.9	19	0	0	0	108.9	Y245 G361 M366 L372 W373 G377 F378 A379	Y245-N375 PolarHBondContact OH-ND2 2.89Å; G361-N375 VanDerWaalsContact CA-CG 3.46Å; G361-N375 VanDerWaalsContact CA-ND2 3.28Å; G361-N375 WeakPolarHBondContact CA-ND2 3.43Å; M366-N375 PolarHBondContact N-OD1 2.94Å; M366-N375 VanDerWaalsContact SD-CG 3.51Å; M366-N375 PolarHBondContact SD-ND2 2.99Å; M366-N375 PolarHBondContact SD-OD1 2.92Å; M366-N375 VanDerWaalsContact SD-OD1 3.33Å; L372-N375 WeakPolarHBondContact O-CB 3.19Å; L372-N375 PolarHBondContact O-N 3.09Å; W373-N375 PolarHBondContact O-N 3.42Å; N375-G377 PolarHBondContact O-N 3.32Å; N375-F378 PolarHBondContact O-N 3.25Å; N375-A379 PolarHBondContact O-N 2.95Å
376	E	98.4	Very high	98.4	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-67.4	-43	-166.3	-58.4	-46.2	127.2	0	0	113.8	H353 H357 L372 F378 A379 K380 Y438	H353-E376 IonicContact NE2-OE2 3.88Å; H357-E376 IonicContact CE1-OE1 3.61Å; H357-E376 PolarHBondContact CE1-OE1 3.23Å; H357-E376 VanDerWaalsContact CE1-OE1 3.28Å; H357-E376 IonicContact CE1-OE2 2.67Å; H357-E376 IonicContact NE2-OE1 2.84Å; H357-E376 IonicContact NE2-OE2 3.35Å; L372-E376 HydrophobicContact CD1-CG 3.8Å; L372-E376 HydrophobicContact CD2-CG 4.26Å; L372-E376 HydrophobicContact CG-CG 3.76Å; L372-E376 PolarHBondContact O-N 3.25Å; L372-E376 VanDerWaalsContact O-N 3.12Å; E376-F378 VanDerWaalsContact C-N 3.28Å; E376-F378 PolarHBondContact O-N 2.7Å; E376-A379 PolarHBondContact O-N 3Å; E376-K380 WeakPolarHBondContact O-CB 3.49Å; E376-K380 PolarHBondContact O-N 3.33Å; E376-Y438 HydrophobicContact CB-CD1 3.86Å; E376-Y438 HydrophobicContact CB-CD2 4.02Å; E376-Y438 HydrophobicContact CB-CE1 3.79Å; E376-Y438 HydrophobicContact CB-CE2 3.97Å; E376-Y438 HydrophobicContact CB-CG 3.98Å; E376-Y438 HydrophobicContact CG-CD1 4.49Å; E376-Y438 HydrophobicContact CG-CD2 4.32Å; E376-Y438 HydrophobicContact CG-CE1 3.95Å; E376-Y438 HydrophobicContact CG-CE2 3.77Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.35Å; E376-Y438 PolarHBondContact OE2-OH 3.32Å
377	G	98.4	Very high	98.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-35.5	178	0	0	0	0	0	111.7	W373 N375 F381 S437 A442	W373-G377 VanDerWaalsContact O-CA 3.31Å; W373-G377 WeakPolarHBondContact O-CA 3.46Å; W373-G377 PolarHBondContact O-N 3.5Å; N375-G377 PolarHBondContact O-N 3.32Å; G377-F381 VanDerWaalsContact O-CB 3.23Å; G377-F381 WeakPolarHBondContact O-CB 3.19Å; G377-F381 PolarHBondContact O-N 2.8Å; G377-S437 WeakPolarHBondContact CA-O 3.16Å; G377-S437 PolarHBondContact N-O 3.34Å; G377-A442 WeakPolarHBondContact O-CA 3.28Å
378	F	98.6	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-72.3	-46.4	175.3	-92.3	-74.5	0	0	0	112.9	F360 W373 L374 N375 E376 K380 F381 M382 L445 F457 I461 L478	F360-F378 HydrophobicContact CB-CB 3.82Å; F360-F378 HydrophobicContact CD1-CB 3.69Å; F360-F378 AromaticContact CD1-CD1 3.82Å; F360-F378 HydrophobicContact CD1-CD1 3.82Å; F360-F378 HydrophobicContact CD1-CD2 4.2Å; F360-F378 AromaticContact CD1-CG 3.61Å; F360-F378 HydrophobicContact CD1-CG 3.61Å; F360-F378 HydrophobicContact CD2-CB 4.17Å; F360-F378 HydrophobicContact CE1-CB 4.22Å; F360-F378 AromaticContact CE1-CD1 3.45Å; F360-F378 HydrophobicContact CE1-CD1 3.45Å; F360-F378 VanDerWaalsContact CE1-CD1 3.45Å; F360-F378 HydrophobicContact CE1-CD2 4.41Å; F360-F378 AromaticContact CE1-CE1 3.91Å; F360-F378 HydrophobicContact CE1-CE1 3.91Å; F360-F378 AromaticContact CE1-CG 3.75Å; F360-F378 HydrophobicContact CE1-CG 3.75Å; F360-F378 HydrophobicContact CE2-CD1 4.27Å; F360-F378 HydrophobicContact CG-CB 3.64Å; F360-F378 HydrophobicContact CG-CD1 4.36Å; F360-F378 HydrophobicContact CG-CG 4.09Å; F360-F378 AromaticContact CZ-CD1 3.68Å; F360-F378 HydrophobicContact CZ-CD1 3.68Å; F360-F378 HydrophobicContact CZ-CE1 4.21Å; F360-F378 HydrophobicContact CZ-CG 4.31Å; W373-F378 HydrophobicContact CZ3-CE2 4.34Å; L374-F378 HydrophobicContact CD2-CE2 4.42Å; L374-F378 VanDerWaalsContact O-CD2 3.25Å; L374-F378 WeakPolarHBondContact O-CD2 3.17Å; N375-F378 PolarHBondContact O-N 3.25Å; E376-F378 VanDerWaalsContact C-N 3.28Å; E376-F378 PolarHBondContact O-N 2.7Å; F378-K380 VanDerWaalsContact C-N 3.33Å; F378-F381 PolarHBondContact O-N 2.95Å; F378-M382 WeakPolarHBondContact O-CB 3.44Å; F378-M382 VanDerWaalsContact O-CG 3.25Å; F378-M382 WeakPolarHBondContact O-CG 3.24Å; F378-M382 PolarHBondContact O-N 2.88Å; F378-L445 HydrophobicContact CB-CD1 4.44Å; F378-L445 HydrophobicContact CD1-CD1 3.71Å; F378-L445 HydrophobicContact CD2-CD1 3.8Å; F378-L445 HydrophobicContact CE1-CD1 3.68Å; F378-L445 HydrophobicContact CE1-CD2 3.82Å; F378-L445 HydrophobicContact CE1-CG 4.37Å; F378-L445 HydrophobicContact CE2-CD1 3.83Å; F378-L445 HydrophobicContact CE2-CD2 3.85Å; F378-L445 HydrophobicContact CE2-CG 4.48Å; F378-L445 HydrophobicContact CG-CD1 3.75Å; F378-L445 HydrophobicContact CZ-CD1 3.77Å; F378-L445 HydrophobicContact CZ-CD2 3.37Å; F378-L445 HydrophobicContact CZ-CG 4.23Å; F378-F457 HydrophobicContact CE1-CZ 4.23Å; F378-I461 HydrophobicContact CD1-CD1 4.22Å; F378-I461 HydrophobicContact CE1-CD1 3.2Å; F378-I461 HydrophobicContact CE1-CG1 4.3Å; F378-I461 HydrophobicContact CZ-CD1 3.54Å; F378-L478 HydrophobicContact CE2-CD1 4.09Å; F378-L478 HydrophobicContact CE2-CD2 3.6Å; F378-L478 HydrophobicContact CE2-CG 4.5Å; F378-L478 HydrophobicContact CZ-CD1 3.76Å; F378-L478 HydrophobicContact CZ-CD2 3.82Å; F378-L478 HydrophobicContact CZ-CG 4.44Å
379	A	98.6	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.7	-46	176.7	0	0	0	0	0	110.6	A356 H357 N375 E376 F381 M382 E383	A356-A379 HydrophobicContact CB-CB 4.26Å; H357-A379 WeakPolarHBondContact CE1-CB 3.44Å; H357-A379 WeakPolarHBondContact NE2-CB 3.4Å; N375-A379 PolarHBondContact O-N 2.95Å; E376-A379 PolarHBondContact O-N 3Å; A379-F381 PolarHBondContact O-N 2.83Å; A379-M382 PolarHBondContact O-N 3.14Å; A379-M382 VanDerWaalsContact O-N 3.14Å; A379-E383 PolarHBondContact O-N 3.24Å
380	K	98.6	Very high	98.4	Very high	31 Å²	31	14.4 Å²	14.4	14%	0.135	8%	0.083	C	C	.	.	H	α-helix	trans	-56.6	-46.3	174.1	-178.6	59.6	63.1	-154.6	0	112.4	H353 E376 F378 E383 F384 A442	H353-K380 PolarHBondContact ND1-N 2.97Å; E376-K380 WeakPolarHBondContact O-CB 3.49Å; E376-K380 PolarHBondContact O-N 3.33Å; F378-K380 VanDerWaalsContact C-N 3.33Å; K380-E383 WeakPolarHBondContact CA-OE1 3.44Å; K380-E383 WeakPolarHBondContact CD-OE1 3.31Å; K380-E383 WeakPolarHBondContact CE-OE1 3.49Å; K380-E383 IonicContact NZ-OE1 3.85Å; K380-E383 PolarHBondContact NZ-OE1 3.42Å; K380-E383 IonicContact NZ-OE2 2.9Å; K380-E383 PolarHBondContact NZ-OE2 3.22Å; K380-E383 WeakPolarHBondContact O-CB 3.34Å; K380-E383 PolarHBondContact O-N 3.45Å; K380-F384 HydrophobicContact CD-CE2 4.31Å; K380-F384 WeakPolarHBondContact O-CD2 3.21Å; K380-A442 HydrophobicContact CB-CB 3.92Å; K380-A442 HydrophobicContact CG-CB 3.58Å
381	F	98.8	Very high	98.4	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.013	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-41	176.7	174.9	-108.6	0	0	0	112.5	G377 F378 A379 E383 F384 V385 A442 L445 N446 R449 F457	G377-F381 VanDerWaalsContact O-CB 3.23Å; G377-F381 WeakPolarHBondContact O-CB 3.19Å; G377-F381 PolarHBondContact O-N 2.8Å; F378-F381 PolarHBondContact O-N 2.95Å; A379-F381 PolarHBondContact O-N 2.83Å; F381-E383 VanDerWaalsContact C-N 3.3Å; F381-E383 PolarHBondContact O-N 2.88Å; F381-F384 PolarHBondContact O-N 3.03Å; F381-V385 HydrophobicContact CD1-CG2 4.15Å; F381-V385 HydrophobicContact CE1-CG2 3.54Å; F381-V385 HydrophobicContact CE2-CG2 4.07Å; F381-V385 HydrophobicContact CZ-CG2 3.48Å; F381-V385 VanDerWaalsContact CZ-CG2 3.48Å; F381-V385 PolarHBondContact O-N 3.01Å; F381-A442 HydrophobicContact CB-CB 3.93Å; F381-L445 HydrophobicContact CB-CB 4.45Å; F381-L445 HydrophobicContact CB-CD1 4.17Å; F381-L445 HydrophobicContact CD1-CB 4.42Å; F381-L445 HydrophobicContact CD2-CB 4.32Å; F381-L445 HydrophobicContact CG-CB 4.13Å; F381-N446 HydrophobicContact CD2-CB 4.07Å; F381-N446 HydrophobicContact CE2-CB 3.75Å; F381-R449 HydrophobicContact CZ-CB 4.41Å; F381-F457 HydrophobicContact CD1-CE1 4.47Å; F381-F457 AromaticContact CE1-CE1 3.67Å; F381-F457 HydrophobicContact CE1-CE1 3.67Å; F381-F457 HydrophobicContact CE1-CZ 4.03Å; F381-F457 HydrophobicContact CZ-CE1 4.31Å
382	M	98.6	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71	-21.8	-177.7	-74.5	-62.6	165.8	0	0	113.7	Y293 Y296 F297 A356 F360 F378 A379 F384 V385 S386	Y293-M382 HydrophobicContact CE1-CB 4.11Å; Y293-M382 PolarHBondContact OH-O 3.29Å; Y296-M382 HydrophobicContact CE1-CE 4.42Å; F297-M382 HydrophobicContact CE1-CE 3.92Å; F297-M382 HydrophobicContact CE1-SD 4.21Å; F297-M382 HydrophobicContact CZ-CE 4.08Å; F297-M382 HydrophobicContact CZ-CG 4.34Å; F297-M382 HydrophobicContact CZ-SD 3.85Å; A356-M382 HydrophobicContact CB-CB 3.66Å; A356-M382 HydrophobicContact CB-CG 4.41Å; F360-M382 HydrophobicContact CD2-CG 4.3Å; F360-M382 HydrophobicContact CE2-CE 3.9Å; F360-M382 HydrophobicContact CE2-CG 3.91Å; F360-M382 HydrophobicContact CE2-SD 4.5Å; F360-M382 HydrophobicContact CZ-CE 4.01Å; F378-M382 WeakPolarHBondContact O-CB 3.44Å; F378-M382 VanDerWaalsContact O-CG 3.25Å; F378-M382 WeakPolarHBondContact O-CG 3.24Å; F378-M382 PolarHBondContact O-N 2.88Å; A379-M382 PolarHBondContact O-N 3.14Å; A379-M382 VanDerWaalsContact O-N 3.14Å; M382-F384 VanDerWaalsContact C-N 3.29Å; M382-F384 PolarHBondContact O-N 2.85Å; M382-V385 PolarHBondContact O-N 3.48Å; M382-V385 HydrophobicContact SD-CB 4.11Å; M382-V385 HydrophobicContact SD-CG1 4.31Å; M382-V385 HydrophobicContact SD-CG2 4.33Å; M382-S386 VanDerWaalsContact O-CB 3.29Å; M382-S386 WeakPolarHBondContact O-CB 3.45Å; M382-S386 PolarHBondContact O-N 3.34Å; M382-S386 PolarHBondContact O-OG 3.39Å
383	E	98.4	Very high	98.4	Very high	8 Å²	8	22 Å²	22	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-51.4	-51.4	167.4	-65.4	170.6	-140.5	0	0	110.7	M349 H353 A379 K380 F381 S386 V387	M349-E383 HydrophobicContact CE-CB 3.51Å; M349-E383 HydrophobicContact CE-CG 4.41Å; M349-E383 WeakPolarHBondContact CE-OE2 3.37Å; M349-E383 WeakPolarHBondContact O-CG 3.42Å; M349-E383 HydrophobicContact SD-CB 4.12Å; H353-E383 HydrophobicContact CB-CG 3.8Å; H353-E383 IonicContact CE1-OE1 3.28Å; H353-E383 IonicContact CG-OE1 3.35Å; H353-E383 IonicContact ND1-OE1 2.79Å; H353-E383 PolarHBondContact ND1-OE1 3.28Å; A379-E383 PolarHBondContact O-N 3.24Å; K380-E383 WeakPolarHBondContact CA-OE1 3.44Å; K380-E383 WeakPolarHBondContact CD-OE1 3.31Å; K380-E383 WeakPolarHBondContact CE-OE1 3.49Å; K380-E383 IonicContact NZ-OE1 3.85Å; K380-E383 PolarHBondContact NZ-OE1 3.42Å; K380-E383 IonicContact NZ-OE2 2.9Å; K380-E383 PolarHBondContact NZ-OE2 3.22Å; K380-E383 WeakPolarHBondContact O-CB 3.34Å; K380-E383 PolarHBondContact O-N 3.45Å; F381-E383 VanDerWaalsContact C-N 3.3Å; F381-E383 PolarHBondContact O-N 2.88Å; E383-S386 PolarHBondContact O-OG 2.9Å; E383-V387 WeakPolarHBondContact O-CB 3.37Å; E383-V387 WeakPolarHBondContact O-CG2 3.14Å; E383-V387 PolarHBondContact O-N 2.79Å
384	F	98.6	Very high	98.3	Very high	17 Å²	17	23.6 Å²	23.6	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-72.5	-38.5	-175.8	-65.3	-92.2	0	0	0	112.1	M349 K380 F381 M382 S388 V396 F400 K403	M349-F384 HydrophobicContact CE-CD1 3.97Å; M349-F384 HydrophobicContact CE-CD2 4Å; M349-F384 HydrophobicContact CE-CE1 3.75Å; M349-F384 HydrophobicContact CE-CE2 3.78Å; M349-F384 HydrophobicContact CE-CG 4.11Å; M349-F384 HydrophobicContact CE-CZ 3.65Å; K380-F384 HydrophobicContact CD-CE2 4.31Å; K380-F384 WeakPolarHBondContact O-CD2 3.21Å; F381-F384 PolarHBondContact O-N 3.03Å; M382-F384 VanDerWaalsContact C-N 3.29Å; M382-F384 PolarHBondContact O-N 2.85Å; F384-S388 WeakPolarHBondContact O-CB 3.23Å; F384-S388 PolarHBondContact O-N 2.78Å; F384-S388 VanDerWaalsContact O-N 3.13Å; F384-S388 PolarHBondContact O-OG 3.35Å; F384-V396 HydrophobicContact CD1-CB 4.21Å; F384-V396 HydrophobicContact CD1-CG2 4.42Å; F384-V396 VanDerWaalsContact CD1-O 3.28Å; F384-V396 WeakPolarHBondContact CD1-O 3.41Å; F384-V396 WeakPolarHBondContact CE1-O 3.48Å; F384-F400 HydrophobicContact CB-CD2 4.14Å; F384-F400 HydrophobicContact CD1-CB 3.71Å; F384-F400 AromaticContact CD1-CD2 3.74Å; F384-F400 HydrophobicContact CD1-CD2 3.74Å; F384-F400 HydrophobicContact CD1-CG 4.21Å; F384-F400 AromaticContact CD2-CD2 3.44Å; F384-F400 HydrophobicContact CD2-CD2 3.44Å; F384-F400 VanDerWaalsContact CD2-CD2 3.44Å; F384-F400 AromaticContact CD2-CE2 3.9Å; F384-F400 HydrophobicContact CD2-CE2 3.9Å; F384-F400 VanDerWaalsContact CE1-CA 3.46Å; F384-F400 HydrophobicContact CE1-CB 3.79Å; F384-F400 AromaticContact CE1-CD2 3.93Å; F384-F400 HydrophobicContact CE1-CD2 3.93Å; F384-F400 HydrophobicContact CE1-CG 4.39Å; F384-F400 AromaticContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CE2 4.16Å; F384-F400 HydrophobicContact CG-CB 4.29Å; F384-F400 AromaticContact CG-CD2 3.48Å; F384-F400 HydrophobicContact CG-CD2 3.48Å; F384-F400 VanDerWaalsContact CG-CD2 3.48Å; F384-F400 HydrophobicContact CG-CE2 4.27Å; F384-F400 HydrophobicContact CG-CG 4.31Å; F384-F400 HydrophobicContact CZ-CB 4.43Å; F384-F400 AromaticContact CZ-CD2 3.88Å; F384-F400 HydrophobicContact CZ-CD2 3.88Å; F384-K403 HydrophobicContact CE2-CG 4.42Å; F384-K403 HydrophobicContact CZ-CG 4.03Å
385	V	98.6	Very high	98.2	Very high	15 Å²	15	29.5 Å²	29.5	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-48.7	176.9	177.1	0	0	0	0	110.7	F292 Y296 F381 M382 S388	F292-V385 HydrophobicContact CZ-CG1 4.2Å; Y296-V385 HydrophobicContact CE1-CG1 4.49Å; Y296-V385 HydrophobicContact CE2-CG1 4.15Å; F381-V385 HydrophobicContact CD1-CG2 4.15Å; F381-V385 HydrophobicContact CE1-CG2 3.54Å; F381-V385 HydrophobicContact CE2-CG2 4.07Å; F381-V385 HydrophobicContact CZ-CG2 3.48Å; F381-V385 VanDerWaalsContact CZ-CG2 3.48Å; F381-V385 PolarHBondContact O-N 3.01Å; M382-V385 PolarHBondContact O-N 3.48Å; M382-V385 HydrophobicContact SD-CB 4.11Å; M382-V385 HydrophobicContact SD-CG1 4.31Å; M382-V385 HydrophobicContact SD-CG2 4.33Å; V385-S388 PolarHBondContact O-OG 3.25Å
386	S	98.6	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-74.2	-45.3	-176.1	62.6	0	0	0	0	113	F292 Y293 M382 E383 S388 V389 T390	F292-S386 VanDerWaalsContact CE1-CA 3.42Å; F292-S386 VanDerWaalsContact CE1-CB 3.43Å; Y293-S386 WeakPolarHBondContact OH-CB 3.2Å; Y293-S386 PolarHBondContact OH-OG 3.33Å; M382-S386 VanDerWaalsContact O-CB 3.29Å; M382-S386 WeakPolarHBondContact O-CB 3.45Å; M382-S386 PolarHBondContact O-N 3.34Å; M382-S386 PolarHBondContact O-OG 3.39Å; E383-S386 PolarHBondContact O-OG 2.9Å; S386-S388 VanDerWaalsContact C-N 3.33Å; S386-S388 PolarHBondContact O-N 2.88Å; S386-V389 PolarHBondContact O-N 3.33Å; S386-T390 WeakPolarHBondContact O-CG2 3.5Å; S386-T390 PolarHBondContact O-N 3.4Å; S386-T390 PolarHBondContact O-OG1 3.01Å
387	V	98.7	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-72.2	-29.6	-176.3	-179.7	0	0	0	0	111.2	L289 T348 M349 A352 E383 V389 T390 H391 L394 V396	L289-V387 HydrophobicContact CD2-CG2 4.24Å; T348-V387 HydrophobicContact CG2-CG1 3.94Å; T348-V387 HydrophobicContact CG2-CG2 4.03Å; M349-V387 HydrophobicContact SD-CB 4.01Å; M349-V387 HydrophobicContact SD-CG1 4.11Å; M349-V387 HydrophobicContact SD-CG2 3.86Å; A352-V387 HydrophobicContact CB-CG2 3.57Å; E383-V387 WeakPolarHBondContact O-CB 3.37Å; E383-V387 WeakPolarHBondContact O-CG2 3.14Å; E383-V387 PolarHBondContact O-N 2.79Å; V387-V389 PolarHBondContact O-N 3.39Å; V387-T390 WeakPolarHBondContact CA-OG1 3.25Å; V387-H391 HydrophobicContact CG1-CB 4.04Å; V387-H391 CarbonylContact O-C 3.54Å; V387-H391 VanDerWaalsContact O-C 3.24Å; V387-H391 WeakPolarHBondContact O-CA 3Å; V387-H391 PolarHBondContact O-N 2.86Å; V387-L394 HydrophobicContact CG1-CD1 4.07Å; V387-V396 HydrophobicContact CB-CG1 4.31Å; V387-V396 HydrophobicContact CB-CG2 3.93Å; V387-V396 HydrophobicContact CG1-CB 4.38Å; V387-V396 HydrophobicContact CG1-CG1 3.56Å; V387-V396 HydrophobicContact CG1-CG2 3.96Å
388	S	98.3	Very high	97.9	Very high	55 Å²	55	36.5 Å²	36.5	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-25.3	172.9	68.6	0	0	0	0	113.8	F384 V385 S386	F384-S388 WeakPolarHBondContact O-CB 3.23Å; F384-S388 PolarHBondContact O-N 2.78Å; F384-S388 VanDerWaalsContact O-N 3.13Å; F384-S388 PolarHBondContact O-OG 3.35Å; V385-S388 PolarHBondContact O-OG 3.25Å; S386-S388 VanDerWaalsContact C-N 3.33Å; S386-S388 PolarHBondContact O-N 2.88Å
389	V	98.5	Very high	97.7	Very high	91 Å²	91	42.7 Å²	42.7	55%	0.552	23%	0.229	S	C	*	.	H	α-helix	trans	-93.7	-46.2	178.1	177.3	0	0	0	0	111.5	F292 S386 V387	F292-V389 HydrophobicContact CD2-CB 4.17Å; F292-V389 HydrophobicContact CD2-CG1 3.94Å; F292-V389 HydrophobicContact CE2-CB 3.76Å; F292-V389 HydrophobicContact CE2-CG1 3.8Å; F292-V389 HydrophobicContact CE2-CG2 3.91Å; F292-V389 HydrophobicContact CZ-CG2 4.44Å; S386-V389 PolarHBondContact O-N 3.33Å; V387-V389 PolarHBondContact O-N 3.39Å
390	T	98.4	Very high	97.7	Very high	27 Å²	27	43.5 Å²	43.5	17%	0.166	23%	0.232	C	C	.	.	H	α-helix	trans	-78.3	-31.4	-174.3	56.6	0	0	0	0	113.1	T288 L289 F292 S386 V387	T288-T390 HydrophobicContact CG2-CG2 3.93Å; L289-T390 HydrophobicContact CD2-CG2 4.11Å; F292-T390 HydrophobicContact CB-CG2 3.74Å; F292-T390 HydrophobicContact CD2-CG2 4.26Å; F292-T390 HydrophobicContact CG-CG2 4.02Å; S386-T390 WeakPolarHBondContact O-CG2 3.5Å; S386-T390 PolarHBondContact O-N 3.4Å; S386-T390 PolarHBondContact O-OG1 3.01Å; V387-T390 WeakPolarHBondContact CA-OG1 3.25Å
391	H	97.9	Very high	97.5	Very high	21 Å²	21	47.2 Å²	47.2	10%	0.097	25%	0.249	C	C	.	.			trans	-135.5	62.3	-178.1	-61.7	82.3	0	0	0	110.9	V387 E393 L394	V387-H391 HydrophobicContact CG1-CB 4.04Å; V387-H391 CarbonylContact O-C 3.54Å; V387-H391 VanDerWaalsContact O-C 3.24Å; V387-H391 WeakPolarHBondContact O-CA 3Å; V387-H391 PolarHBondContact O-N 2.86Å; H391-E393 WeakPolarHBondContact CA-OE2 3.27Å; H391-E393 IonicContact CD2-OE1 2.64Å; H391-E393 PolarHBondContact CD2-OE1 3.12Å; H391-E393 IonicContact CG-OE1 3.51Å; H391-E393 PolarHBondContact O-N 2.72Å; H391-E393 VanDerWaalsContact O-N 3.08Å; H391-L394 HydrophobicContact CB-CD1 3.71Å; H391-L394 HydrophobicContact CB-CG 3.98Å; H391-L394 WeakPolarHBondContact O-CB 3.33Å; H391-L394 PolarHBondContact O-N 3.46Å
392	P	97.9	Very high	97.4	Very high	69 Å²	69	48.2 Å²	48.2	45%	0.448	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.2	-174.8	27.7	-36.2	0	0	0	113.7	L394 K395	P392-L394 PolarHBondContact O-N 3.34Å; P392-K395 WeakPolarHBondContact O-CD 3.43Å; P392-K395 WeakPolarHBondContact O-CE 3.39Å; P392-K395 PolarHBondContact O-N 3.31Å
393	E	97.1	Very high	97.4	Very high	122 Å²	122	51.5 Å²	51.5	57%	0.57	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.4	-24.1	173.4	76.4	-73.5	178.1	0	0	113.2	H391 K395	H391-E393 WeakPolarHBondContact CA-OE2 3.27Å; H391-E393 IonicContact CD2-OE1 2.64Å; H391-E393 PolarHBondContact CD2-OE1 3.12Å; H391-E393 IonicContact CG-OE1 3.51Å; H391-E393 PolarHBondContact O-N 2.72Å; H391-E393 VanDerWaalsContact O-N 3.08Å; E393-K395 VanDerWaalsContact C-N 3.32Å
394	L	96.4	Very high	97.3	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.168	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-80	-12.6	178	-63.2	-179.2	0	0	0	113.2	L345 T348 V387 H391 P392 V396 Y399	L345-L394 HydrophobicContact CD1-CB 4.34Å; L345-L394 HydrophobicContact CD1-CD1 4.15Å; T348-L394 HydrophobicContact CG2-CD1 4.03Å; V387-L394 HydrophobicContact CG1-CD1 4.07Å; H391-L394 HydrophobicContact CB-CD1 3.71Å; H391-L394 HydrophobicContact CB-CG 3.98Å; H391-L394 WeakPolarHBondContact O-CB 3.33Å; H391-L394 PolarHBondContact O-N 3.46Å; P392-L394 PolarHBondContact O-N 3.34Å; L394-V396 HydrophobicContact CB-CG1 3.9Å; L394-V396 PolarHBondContact O-N 2.81Å; L394-V396 VanDerWaalsContact O-N 3.09Å; L394-Y399 WeakPolarHBondContact O-CE2 3.28Å
395	K	96.6	Very high	97.3	Very high	125 Å²	125	57.1 Å²	57.1	54%	0.543	30%	0.302	S	S	.	.			trans	49.7	37.2	174.9	-63.6	-68.5	177.1	-175.1	0	114.7	P392 E393 G397 D398	P392-K395 WeakPolarHBondContact O-CD 3.43Å; P392-K395 WeakPolarHBondContact O-CE 3.39Å; P392-K395 PolarHBondContact O-N 3.31Å; E393-K395 VanDerWaalsContact C-N 3.32Å; K395-G397 PolarHBondContact O-N 3.2Å; K395-G397 VanDerWaalsContact O-N 3.08Å; K395-D398 WeakPolarHBondContact O-CB 3.49Å; K395-D398 PolarHBondContact O-N 2.98Å
396	V	97.4	Very high	97.2	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59.9	-26.6	-172.8	-60.6	0	0	0	0	114.8	L345 M349 F384 V387 L394 D398 Y399 F400	L345-V396 HydrophobicContact CD1-CG1 3.55Å; M349-V396 HydrophobicContact SD-CB 4.31Å; M349-V396 HydrophobicContact SD-CG1 3.91Å; F384-V396 HydrophobicContact CD1-CB 4.21Å; F384-V396 HydrophobicContact CD1-CG2 4.42Å; F384-V396 VanDerWaalsContact CD1-O 3.28Å; F384-V396 WeakPolarHBondContact CD1-O 3.41Å; F384-V396 WeakPolarHBondContact CE1-O 3.48Å; V387-V396 HydrophobicContact CB-CG1 4.31Å; V387-V396 HydrophobicContact CB-CG2 3.93Å; V387-V396 HydrophobicContact CG1-CB 4.38Å; V387-V396 HydrophobicContact CG1-CG1 3.56Å; V387-V396 HydrophobicContact CG1-CG2 3.96Å; L394-V396 HydrophobicContact CB-CG1 3.9Å; L394-V396 PolarHBondContact O-N 2.81Å; L394-V396 VanDerWaalsContact O-N 3.09Å; V396-D398 PolarHBondContact O-N 3.32Å; V396-Y399 PolarHBondContact O-N 3.14Å; V396-F400 PolarHBondContact O-N 3.08Å
397	G	95.8	Very high	97.2	Very high	43 Å²	43	60.5 Å²	60.5	44%	0.443	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-58.5	-32.1	175.3	0	0	0	0	0	113.1	K395 Y399 F400	K395-G397 PolarHBondContact O-N 3.2Å; K395-G397 VanDerWaalsContact O-N 3.08Å; G397-Y399 PolarHBondContact O-N 2.8Å; G397-F400 PolarHBondContact O-N 3.25Å
398	D	96.1	Very high	97.1	Very high	107 Å²	107	64 Å²	64	57%	0.572	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-73.5	-15	178.8	-60.7	-11	0	0	0	112	K395 V396 F401	K395-D398 WeakPolarHBondContact O-CB 3.49Å; K395-D398 PolarHBondContact O-N 2.98Å; V396-D398 PolarHBondContact O-N 3.32Å; D398-F401 WeakPolarHBondContact O-CD1 3.49Å; D398-F401 WeakPolarHBondContact O-CE1 3.41Å
399	Y	94.8	Very high	97	Very high	130 Å²	130	66.6 Å²	66.6	51%	0.51	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-98	-13.1	178.8	-52.1	-41.2	0	0	0	113.1	L345 L394 V396 G397 F401 G402	L345-Y399 HydrophobicContact CD2-CD2 4.12Å; L345-Y399 HydrophobicContact CD2-CE2 4.03Å; L394-Y399 WeakPolarHBondContact O-CE2 3.28Å; V396-Y399 PolarHBondContact O-N 3.14Å; G397-Y399 PolarHBondContact O-N 2.8Å; Y399-F401 PolarHBondContact O-N 3.36Å; Y399-G402 PolarHBondContact O-N 3.15Å; Y399-G402 VanDerWaalsContact O-N 3.14Å
400	F	97.1	Very high	96.8	Very high	16 Å²	16	64.2 Å²	64.2	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-46	-171.8	179	-103	0	0	0	113.3	F384 V396 G397 G402 K403 A442 N446	F384-F400 HydrophobicContact CB-CD2 4.14Å; F384-F400 HydrophobicContact CD1-CB 3.71Å; F384-F400 AromaticContact CD1-CD2 3.74Å; F384-F400 HydrophobicContact CD1-CD2 3.74Å; F384-F400 HydrophobicContact CD1-CG 4.21Å; F384-F400 AromaticContact CD2-CD2 3.44Å; F384-F400 HydrophobicContact CD2-CD2 3.44Å; F384-F400 VanDerWaalsContact CD2-CD2 3.44Å; F384-F400 AromaticContact CD2-CE2 3.9Å; F384-F400 HydrophobicContact CD2-CE2 3.9Å; F384-F400 VanDerWaalsContact CE1-CA 3.46Å; F384-F400 HydrophobicContact CE1-CB 3.79Å; F384-F400 AromaticContact CE1-CD2 3.93Å; F384-F400 HydrophobicContact CE1-CD2 3.93Å; F384-F400 HydrophobicContact CE1-CG 4.39Å; F384-F400 AromaticContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CD2 3.65Å; F384-F400 HydrophobicContact CE2-CE2 4.16Å; F384-F400 HydrophobicContact CG-CB 4.29Å; F384-F400 AromaticContact CG-CD2 3.48Å; F384-F400 HydrophobicContact CG-CD2 3.48Å; F384-F400 VanDerWaalsContact CG-CD2 3.48Å; F384-F400 HydrophobicContact CG-CE2 4.27Å; F384-F400 HydrophobicContact CG-CG 4.31Å; F384-F400 HydrophobicContact CZ-CB 4.43Å; F384-F400 AromaticContact CZ-CD2 3.88Å; F384-F400 HydrophobicContact CZ-CD2 3.88Å; V396-F400 PolarHBondContact O-N 3.08Å; G397-F400 PolarHBondContact O-N 3.25Å; F400-G402 PolarHBondContact O-N 3.28Å; F400-K403 WeakPolarHBondContact O-CB 3.32Å; F400-K403 PolarHBondContact O-N 3.07Å; F400-A442 HydrophobicContact CE2-CB 4.27Å; F400-A442 HydrophobicContact CZ-CB 4.46Å; F400-N446 HydrophobicContact CD1-CB 4.48Å; F400-N446 HydrophobicContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CG 3.46Å; F400-N446 WeakPolarHBondContact CE1-ND2 3.4Å; F400-N446 HydrophobicContact CZ-CB 3.45Å; F400-N446 VanDerWaalsContact CZ-CB 3.45Å
401	F	95.2	Very high	96.7	Very high	109 Å²	109	63.2 Å²	63.2	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-21	-176.6	69.8	-99.3	0	0	0	112.9	D398 Y399 K403 C404 F405	D398-F401 WeakPolarHBondContact O-CD1 3.49Å; D398-F401 WeakPolarHBondContact O-CE1 3.41Å; Y399-F401 PolarHBondContact O-N 3.36Å; F401-K403 PolarHBondContact O-N 3.17Å; F401-C404 WeakPolarHBondContact O-CB 3.15Å; F401-C404 PolarHBondContact O-N 3.15Å; F401-C404 VanDerWaalsContact O-N 3.15Å; F401-F405 AromaticContact CD2-CD2 3.75Å; F401-F405 HydrophobicContact CD2-CD2 3.75Å; F401-F405 AromaticContact CD2-CE2 3.36Å; F401-F405 HydrophobicContact CD2-CE2 3.36Å; F401-F405 HydrophobicContact CD2-CZ 4.29Å; F401-F405 HydrophobicContact CE2-CD2 4.18Å; F401-F405 AromaticContact CE2-CE2 3.73Å; F401-F405 HydrophobicContact CE2-CE2 3.73Å; F401-F405 PolarHBondContact O-N 2.74Å; F401-F405 VanDerWaalsContact O-N 3.15Å
402	G	97.1	Very high	96.5	Very high	24 Å²	24	62.3 Å²	62.3	25%	0.247	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-38.5	172.5	0	0	0	0	0	112.1	Y399 F400 C404 F405 D406	Y399-G402 PolarHBondContact O-N 3.15Å; Y399-G402 VanDerWaalsContact O-N 3.14Å; F400-G402 PolarHBondContact O-N 3.28Å; G402-C404 VanDerWaalsContact C-N 3.32Å; G402-C404 PolarHBondContact O-N 2.7Å; G402-F405 PolarHBondContact O-N 3.39Å; G402-F405 VanDerWaalsContact O-N 3.11Å; G402-D406 PolarHBondContact O-N 2.95Å
403	K	97.3	Very high	96.2	Very high	70 Å²	70	62.4 Å²	62.4	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-36.8	175.8	-60.6	-49.5	-172.7	177.4	0	112.8	F384 F400 F401 F405 D406 A407 D439	F384-K403 HydrophobicContact CE2-CG 4.42Å; F384-K403 HydrophobicContact CZ-CG 4.03Å; F400-K403 WeakPolarHBondContact O-CB 3.32Å; F400-K403 PolarHBondContact O-N 3.07Å; F401-K403 PolarHBondContact O-N 3.17Å; K403-F405 VanDerWaalsContact C-N 3.3Å; K403-F405 PolarHBondContact O-N 3.15Å; K403-D406 IonicContact NZ-OD2 3.92Å; K403-D406 PolarHBondContact O-N 3.45Å; K403-A407 WeakPolarHBondContact O-CB 3.37Å; K403-A407 PolarHBondContact O-N 3.07Å; K403-D439 HydrophobicContact CB-CB 4.15Å; K403-D439 WeakPolarHBondContact O-CB 2.84Å
404	C	97.8	Very high	95.9	Very high	25 Å²	25	62.3 Å²	62.3	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-35.1	175	-50	0	0	0	0	111.6	F401 G402 M408 C443	F401-C404 WeakPolarHBondContact O-CB 3.15Å; F401-C404 PolarHBondContact O-N 3.15Å; F401-C404 VanDerWaalsContact O-N 3.15Å; G402-C404 VanDerWaalsContact C-N 3.32Å; G402-C404 PolarHBondContact O-N 2.7Å; C404-M408 WeakPolarHBondContact O-CB 3.44Å; C404-M408 WeakPolarHBondContact O-CG 2.98Å; C404-M408 PolarHBondContact O-N 3.24Å; C404-C443 WeakPolarHBondContact CA-SG 3.36Å; C404-C443 HydrophobicContact CB-CB 4Å; C404-C443 WeakPolarHBondContact CB-SG 3.49Å; C404-C443 PolarHBondContact N-SG 3.06Å; C404-C443 WeakPolarHBondContact SG-CB 3.48Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.15Å
405	F	97.8	Very high	95.7	Very high	117 Å²	117	65.8 Å²	65.8	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-71.1	-38	174.2	-66.6	-41.8	0	0	0	113	F401 G402 K403 M408 E409	F401-F405 AromaticContact CD2-CD2 3.75Å; F401-F405 HydrophobicContact CD2-CD2 3.75Å; F401-F405 AromaticContact CD2-CE2 3.36Å; F401-F405 HydrophobicContact CD2-CE2 3.36Å; F401-F405 HydrophobicContact CD2-CZ 4.29Å; F401-F405 HydrophobicContact CE2-CD2 4.18Å; F401-F405 AromaticContact CE2-CE2 3.73Å; F401-F405 HydrophobicContact CE2-CE2 3.73Å; F401-F405 PolarHBondContact O-N 2.74Å; F401-F405 VanDerWaalsContact O-N 3.15Å; G402-F405 PolarHBondContact O-N 3.39Å; G402-F405 VanDerWaalsContact O-N 3.11Å; K403-F405 VanDerWaalsContact C-N 3.3Å; K403-F405 PolarHBondContact O-N 3.15Å; F405-M408 HydrophobicContact CD1-SD 3.96Å; F405-M408 HydrophobicContact CE1-SD 4.37Å; F405-M408 PolarHBondContact O-N 3.48Å; F405-E409 PolarHBondContact O-N 2.73Å
406	D	96.9	Very high	95.5	Very high	81 Å²	81	60.3 Å²	60.3	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-58.1	-50.6	172.6	-65.6	-23.6	0	0	0	109.9	G402 K403 M408 E409	G402-D406 PolarHBondContact O-N 2.95Å; K403-D406 IonicContact NZ-OD2 3.92Å; K403-D406 PolarHBondContact O-N 3.45Å; D406-M408 VanDerWaalsContact C-N 3.35Å; D406-M408 PolarHBondContact O-N 3.36Å; D406-E409 WeakPolarHBondContact O-CB 3.37Å; D406-E409 PolarHBondContact O-N 3.1Å; D406-E409 VanDerWaalsContact O-N 3.17Å
407	A	97.6	Very high	95.5	Very high	5 Å²	5	62.2 Å²	62.2	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-39.6	175.6	0	0	0	0	0	113.4	K403 E409 V410 D411 D439 K440	K403-A407 WeakPolarHBondContact O-CB 3.37Å; K403-A407 PolarHBondContact O-N 3.07Å; A407-E409 PolarHBondContact O-N 3.29Å; A407-V410 VanDerWaalsContact O-CG1 3.28Å; A407-V410 WeakPolarHBondContact O-CG1 3.27Å; A407-V410 PolarHBondContact O-N 2.86Å; A407-D411 WeakPolarHBondContact O-CB 3.4Å; A407-D411 PolarHBondContact O-N 3.49Å; A407-D439 HydrophobicContact CB-CB 3.92Å; A407-K440 HydrophobicContact CB-CB 4Å
408	M	97	Very high	95.6	Very high	73 Å²	73	61.5 Å²	61.5	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-28.2	178.3	-78.4	176	-173.6	0	0	113	C404 F405 D406 A412 F530	C404-M408 WeakPolarHBondContact O-CB 3.44Å; C404-M408 WeakPolarHBondContact O-CG 2.98Å; C404-M408 PolarHBondContact O-N 3.24Å; F405-M408 HydrophobicContact CD1-SD 3.96Å; F405-M408 HydrophobicContact CE1-SD 4.37Å; F405-M408 PolarHBondContact O-N 3.48Å; D406-M408 VanDerWaalsContact C-N 3.35Å; D406-M408 PolarHBondContact O-N 3.36Å; M408-A412 WeakPolarHBondContact O-CB 3.16Å; M408-A412 PolarHBondContact O-N 3.13Å; M408-F530 HydrophobicContact CB-CE1 3.73Å; M408-F530 HydrophobicContact CB-CZ 3.81Å; M408-F530 HydrophobicContact CG-CD1 4.04Å; M408-F530 HydrophobicContact CG-CE1 3.65Å; M408-F530 HydrophobicContact CG-CE2 4.17Å; M408-F530 HydrophobicContact CG-CG 4.46Å; M408-F530 HydrophobicContact CG-CZ 3.71Å; M408-F530 HydrophobicContact SD-CE2 4.28Å; M408-F530 HydrophobicContact SD-CZ 4.27Å
409	E	96.2	Very high	95.7	Very high	110 Å²	110	56.4 Å²	56.4	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-44.6	179.7	-178.7	62.2	-162	0	0	111.5	F405 D406 A407 K551	F405-E409 PolarHBondContact O-N 2.73Å; D406-E409 WeakPolarHBondContact O-CB 3.37Å; D406-E409 PolarHBondContact O-N 3.1Å; D406-E409 VanDerWaalsContact O-N 3.17Å; A407-E409 PolarHBondContact O-N 3.29Å; E409-K551 IonicContact OE1-NZ 2.73Å; E409-K551 PolarHBondContact OE1-NZ 3.42Å; E409-K551 IonicContact OE2-NZ 2.64Å; E409-K551 PolarHBondContact OE2-NZ 3.43Å
410	V	95.2	Very high	95.9	Very high	42 Å²	42	50.8 Å²	50.8	26%	0.255	27%	0.272	S	S	.	.	H	α-helix	trans	-76.3	-39	174.8	63.5	0	0	0	0	111.8	A407 A412 L413 D435 V436	A407-V410 VanDerWaalsContact O-CG1 3.28Å; A407-V410 WeakPolarHBondContact O-CG1 3.27Å; A407-V410 PolarHBondContact O-N 2.86Å; V410-A412 VanDerWaalsContact C-N 3.29Å; V410-A412 PolarHBondContact O-N 3.12Å; V410-L413 WeakPolarHBondContact O-CB 3.35Å; V410-L413 PolarHBondContact O-N 2.76Å; V410-L413 VanDerWaalsContact O-N 3.1Å; V410-D435 HydrophobicContact CG1-CB 4.18Å; V410-V436 HydrophobicContact CG1-CG2 4.14Å
411	D	95.6	Very high	95.8	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-76.1	-17	-172.6	-161.5	39.4	0	0	0	113.3	A407 L413 S416 K440 G529 F530	A407-D411 WeakPolarHBondContact O-CB 3.4Å; A407-D411 PolarHBondContact O-N 3.49Å; D411-L413 PolarHBondContact O-N 2.85Å; D411-S416 PolarHBondContact OD1-OG 3.39Å; D411-K440 VanDerWaalsContact CG-NZ 3.3Å; D411-K440 IonicContact OD1-NZ 2.73Å; D411-K440 PolarHBondContact OD1-NZ 3.44Å; D411-K440 WeakPolarHBondContact OD2-CD 3.22Å; D411-K440 WeakPolarHBondContact OD2-CE 3.31Å; D411-K440 IonicContact OD2-NZ 2.6Å; D411-K440 PolarHBondContact OD2-NZ 3.16Å; D411-G529 VanDerWaalsContact CG-CA 3.41Å; D411-G529 WeakPolarHBondContact O-CA 3.17Å; D411-G529 WeakPolarHBondContact OD1-CA 3.33Å; D411-G529 PolarHBondContact OD1-N 3.47Å; D411-G529 WeakPolarHBondContact OD2-CA 3.35Å; D411-G529 PolarHBondContact OD2-N 3.18Å; D411-F530 HydrophobicContact CB-CD1 4.25Å; D411-F530 HydrophobicContact CB-CE1 4.44Å
412	A	94.5	Very high	95.9	Very high	3 Å²	3	52 Å²	52	3%	0.025	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.5	170.1	0	0	0	0	0	113.7	M408 V410 F530 Y549 M550 K551	M408-A412 WeakPolarHBondContact O-CB 3.16Å; M408-A412 PolarHBondContact O-N 3.13Å; V410-A412 VanDerWaalsContact C-N 3.29Å; V410-A412 PolarHBondContact O-N 3.12Å; A412-F530 HydrophobicContact CB-CE1 3.99Å; A412-F530 HydrophobicContact CB-CZ 4.16Å; A412-Y549 HydrophobicContact CB-CD1 3.72Å; A412-Y549 HydrophobicContact CB-CE1 3.61Å; A412-M550 WeakPolarHBondContact O-CA 3.48Å; A412-K551 HydrophobicContact CB-CB 4.11Å; A412-K551 PolarHBondContact O-N 2.99Å
413	L	91.9	Very high	95.9	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.366	29%	0.285	S	S	.	.	S	Bend	trans	-88.3	145.4	179.7	-56.8	177.2	0	0	0	111.1	V410 D411 S415 S416 K551	V410-L413 WeakPolarHBondContact O-CB 3.35Å; V410-L413 PolarHBondContact O-N 2.76Å; V410-L413 VanDerWaalsContact O-N 3.1Å; D411-L413 PolarHBondContact O-N 2.85Å; L413-S415 PolarHBondContact O-N 3.42Å; L413-S415 VanDerWaalsContact O-N 3.15Å; L413-S416 VanDerWaalsContact O-CB 3.27Å; L413-S416 WeakPolarHBondContact O-CB 3.21Å; L413-S416 PolarHBondContact O-N 2.96Å; L413-K551 HydrophobicContact CD2-CB 4.43Å; L413-K551 HydrophobicContact CD2-CD 4.48Å
414	N	89.2	Confident	95.8	Very high	120 Å²	120	52.8 Å²	52.8	64%	0.642	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.9	175	-172.3	38.3	0	0	0	112.9	S416 K528	N414-S416 VanDerWaalsContact C-N 3.26Å; N414-S416 PolarHBondContact O-N 3.43Å; N414-K528 PolarHBondContact O-NZ 3.02Å; N414-K528 PolarHBondContact OD1-NZ 3.02Å
415	S	91.9	Very high	95.7	Very high	105 Å²	105	54.1 Å²	54.1	73%	0.734	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.2	174.2	52.6	0	0	0	0	114.3	L413	L413-S415 PolarHBondContact O-N 3.42Å; L413-S415 VanDerWaalsContact O-N 3.15Å
416	S	94.4	Very high	95.6	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.07	28%	0.279	C	S	.	.			trans	-62.4	167	172.2	-173.4	0	0	0	0	111.8	D411 L413 N414 K528	D411-S416 PolarHBondContact OD1-OG 3.39Å; L413-S416 VanDerWaalsContact O-CB 3.27Å; L413-S416 WeakPolarHBondContact O-CB 3.21Å; L413-S416 PolarHBondContact O-N 2.96Å; N414-S416 VanDerWaalsContact C-N 3.26Å; N414-S416 PolarHBondContact O-N 3.43Å; S416-K528 VanDerWaalsContact O-CD 3.26Å; S416-K528 WeakPolarHBondContact O-CD 3.24Å
417	H	96.7	Very high	95.5	Very high	41 Å²	41	47.7 Å²	47.7	19%	0.19	28%	0.275	C	S	.	.			trans	-128.8	160.5	174	59	84.6	0	0	0	111.8	T421 D434 K528	H417-T421 HydrophobicContact CB-CG2 4.13Å; H417-D434 IonicContact CE1-OD1 2.69Å; H417-D434 IonicContact CE1-OD2 2.7Å; H417-D434 IonicContact NE2-OD1 3.67Å; H417-D434 IonicContact NE2-OD2 2.63Å; H417-D434 PolarHBondContact NE2-OD2 3Å; H417-K528 VanDerWaalsContact C-CB 3.49Å
418	P	97.9	Very high	95.4	Very high	28 Å²	28	50.9 Å²	50.9	18%	0.182	29%	0.289	C	S	.	.			trans	-59	153.2	167.2	-21.7	34.1	0	0	0	111.4	S420 T525 K528	P418-S420 VanDerWaalsContact C-N 3.29Å; P418-S420 PolarHBondContact O-N 2.83Å; P418-T525 WeakPolarHBondContact CB-O 3.32Å; P418-K528 HydrophobicContact CG-CB 4.44Å
419	V	97.9	Very high	95.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-59	-42.6	178.2	-178.6	0	0	0	0	111.1	W373 V436 K440 I444 T525	W373-V419 HydrophobicContact CB-CG1 3.5Å; W373-V419 HydrophobicContact CD2-CG1 3.71Å; W373-V419 HydrophobicContact CE3-CG1 4.24Å; W373-V419 HydrophobicContact CG-CG1 3.33Å; V419-V436 HydrophobicContact CG2-CG1 4.09Å; V419-K440 HydrophobicContact CG2-CD 3.67Å; V419-K440 HydrophobicContact CG2-CG 3.94Å; V419-I444 HydrophobicContact CG2-CD1 4.41Å; V419-T525 PolarHBondContact N-O 2.85Å; V419-T525 VanDerWaalsContact N-O 3.09Å
420	S	97.9	Very high	95.4	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.084	27%	0.271	C	S	.	.	S	Bend	trans	-100.7	109	169.1	-74.8	0	0	0	0	109.6	N370 D371 W373 P418 T525	N370-S420 WeakPolarHBondContact O-CA 3.43Å; D371-S420 WeakPolarHBondContact OD1-CB 3.37Å; D371-S420 PolarHBondContact OD1-OG 3.48Å; W373-S420 PolarHBondContact NE1-OG 3.27Å; P418-S420 VanDerWaalsContact C-N 3.29Å; P418-S420 PolarHBondContact O-N 2.83Å; S420-T525 PolarHBondContact N-O 2.71Å
421	T	96.4	Very high	95.4	Very high	32 Å²	32	53 Å²	53	20%	0.196	29%	0.289	C	S	.	.			trans	-137.2	141.6	-178.9	-171.6	0	0	0	0	112.3	N370 H417 V423 M432	N370-T421 VanDerWaalsContact CA-O 3.24Å; N370-T421 WeakPolarHBondContact CA-O 3.47Å; N370-T421 WeakPolarHBondContact CB-O 3.47Å; N370-T421 PolarHBondContact O-N 3.42Å; H417-T421 HydrophobicContact CB-CG2 4.13Å; T421-V423 PolarHBondContact O-N 2.88Å; T421-M432 HydrophobicContact CG2-CE 3.84Å; T421-M432 HydrophobicContact CG2-SD 3.42Å; T421-M432 WeakPolarHBondContact CG2-SD 2.8Å
422	P	97.6	Very high	95.4	Very high	119 Å²	119	53 Å²	53	77%	0.773	29%	0.289	S	S	*	.			trans	-63.4	133.1	-179.6	-22.1	33.7	0	0	0	113.3
423	V	97	Very high	95.4	Very high	18 Å²	18	55.5 Å²	55.5	11%	0.109	30%	0.3	C	S	.	.			trans	-135.6	151.4	172.4	-65.8	0	0	0	0	110.1	W368 W369 T421 Q428 I429 M432	W368-V423 PolarHBondContact NE1-O 3.45Å; W369-V423 HydrophobicContact CB-CG2 3.81Å; T421-V423 PolarHBondContact O-N 2.88Å; V423-Q428 HydrophobicContact CB-CB 3.94Å; V423-Q428 HydrophobicContact CG1-CB 4.02Å; V423-I429 HydrophobicContact CB-CG1 4.32Å; V423-I429 HydrophobicContact CG2-CG1 3.89Å; V423-M432 HydrophobicContact CB-CG 4.47Å; V423-M432 HydrophobicContact CG1-CG 3.65Å; V423-M432 HydrophobicContact CG1-SD 3.66Å; V423-M432 HydrophobicContact CG2-CG 4.12Å
424	E	94.9	Very high	95.6	Very high	92 Å²	92	53.9 Å²	53.9	43%	0.43	29%	0.291	S	S	.	.			trans	-131	-54.3	-177.2	-167.9	178.3	-176	0	0	113.1	I52	I52-E424 HydrophobicContact CB-CG 3.95Å; I52-E424 HydrophobicContact CD1-CG 3.93Å; I52-E424 HydrophobicContact CG1-CG 4.47Å; I52-E424 HydrophobicContact CG2-CG 4.17Å
425	N	95.3	Very high	96	Very high	53 Å²	53	52 Å²	52	28%	0.283	28%	0.281	S	S	.	.	S	Bend	trans	-88.8	160.1	-175.2	70.7	62.6	0	0	0	112.7	I52 A427 Q428 I429	I52-N425 HydrophobicContact CD1-CB 4.14Å; N425-A427 PolarHBondContact O-N 3.47Å; N425-A427 VanDerWaalsContact O-N 3.1Å; N425-A427 WeakPolarHBondContact OD1-CB 2.91Å; N425-A427 PolarHBondContact OD1-N 3.21Å; N425-Q428 PolarHBondContact ND2-OE1 2.79Å; N425-Q428 VanDerWaalsContact ND2-OE1 3.11Å; N425-Q428 PolarHBondContact O-N 2.82Å; N425-Q428 VanDerWaalsContact O-N 3.13Å; N425-Q428 PolarHBondContact OD1-N 3.26Å; N425-I429 WeakPolarHBondContact O-CG1 2.94Å; N425-I429 PolarHBondContact O-N 3.38Å
426	P	95.4	Very high	96.2	Very high	22 Å²	22	47 Å²	47	14%	0.143	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-28.7	-177.5	-29.9	37.2	0	0	0	115.7	R430	P426-R430 WeakPolarHBondContact O-CG 3.41Å; P426-R430 VanDerWaalsContact O-CZ 3.23Å; P426-R430 PolarHBondContact O-N 3.38Å; P426-R430 VanDerWaalsContact O-N 3.13Å; P426-R430 PolarHBondContact O-NH1 3.49Å
427	A	95.4	Very high	96.4	Very high	42 Å²	42	46.6 Å²	46.6	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-72	-47.4	177.4	0	0	0	0	0	111.1	N425 I429 R430 E431	N425-A427 PolarHBondContact O-N 3.47Å; N425-A427 VanDerWaalsContact O-N 3.1Å; N425-A427 WeakPolarHBondContact OD1-CB 2.91Å; N425-A427 PolarHBondContact OD1-N 3.21Å; A427-I429 VanDerWaalsContact C-N 3.29Å; A427-I429 PolarHBondContact O-N 3.49Å; A427-R430 PolarHBondContact O-N 3.3Å; A427-R430 VanDerWaalsContact O-N 3.16Å; A427-E431 WeakPolarHBondContact O-CG 3.41Å; A427-E431 PolarHBondContact O-N 3.06Å
428	Q	95.9	Very high	96.5	Very high	72 Å²	72	47.1 Å²	47.1	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-39	174.4	-68.5	170.7	-28.7	0	0	112	V423 N425 R430 E431 M432	V423-Q428 HydrophobicContact CB-CB 3.94Å; V423-Q428 HydrophobicContact CG1-CB 4.02Å; N425-Q428 PolarHBondContact ND2-OE1 2.79Å; N425-Q428 VanDerWaalsContact ND2-OE1 3.11Å; N425-Q428 PolarHBondContact O-N 2.82Å; N425-Q428 VanDerWaalsContact O-N 3.13Å; N425-Q428 PolarHBondContact OD1-N 3.26Å; Q428-R430 VanDerWaalsContact C-N 3.33Å; Q428-R430 PolarHBondContact O-N 3.17Å; Q428-E431 WeakPolarHBondContact O-CB 2.95Å; Q428-E431 PolarHBondContact O-N 3.1Å; Q428-M432 PolarHBondContact O-N 2.95Å
429	I	97.1	Very high	96.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-42.4	176.4	-66.4	164.2	0	0	0	110.5	P184 T185 W368 W369 V423 N425 A427 E431 M432 F433	P184-I429 HydrophobicContact CB-CG2 3.48Å; P184-I429 VanDerWaalsContact CB-CG2 3.48Å; P184-I429 HydrophobicContact CG-CG2 3.65Å; T185-I429 HydrophobicContact CG2-CD1 3.99Å; W368-I429 HydrophobicContact CH2-CD1 3.93Å; W368-I429 HydrophobicContact CZ2-CD1 3.82Å; W368-I429 HydrophobicContact CZ2-CG1 4.44Å; W369-I429 HydrophobicContact CB-CB 4.41Å; W369-I429 HydrophobicContact CB-CG1 4.03Å; W369-I429 HydrophobicContact CB-CG2 3.74Å; W369-I429 HydrophobicContact CD2-CG2 3.56Å; W369-I429 HydrophobicContact CE3-CG2 4Å; W369-I429 HydrophobicContact CG-CB 4.35Å; W369-I429 HydrophobicContact CG-CD1 4.23Å; W369-I429 HydrophobicContact CG-CG1 4.04Å; W369-I429 HydrophobicContact CG-CG2 3.39Å; V423-I429 HydrophobicContact CB-CG1 4.32Å; V423-I429 HydrophobicContact CG2-CG1 3.89Å; N425-I429 WeakPolarHBondContact O-CG1 2.94Å; N425-I429 PolarHBondContact O-N 3.38Å; A427-I429 VanDerWaalsContact C-N 3.29Å; A427-I429 PolarHBondContact O-N 3.49Å; I429-E431 VanDerWaalsContact C-N 3.29Å; I429-E431 PolarHBondContact O-N 2.9Å; I429-M432 WeakPolarHBondContact O-CB 3.03Å; I429-M432 PolarHBondContact O-N 3.02Å; I429-F433 HydrophobicContact CG2-CE2 4.46Å; I429-F433 WeakPolarHBondContact O-CD2 3.38Å
430	R	95.7	Very high	96.5	Very high	132 Å²	132	46.6 Å²	46.6	50%	0.498	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-31.3	175.6	-76.2	-175.3	-62.7	-91.3	2.1	113.1	P184 P426 A427 Q428 M432 F433	P184-R430 HydrophobicContact CG-CG 3.91Å; P426-R430 WeakPolarHBondContact O-CG 3.41Å; P426-R430 VanDerWaalsContact O-CZ 3.23Å; P426-R430 PolarHBondContact O-N 3.38Å; P426-R430 VanDerWaalsContact O-N 3.13Å; P426-R430 PolarHBondContact O-NH1 3.49Å; A427-R430 PolarHBondContact O-N 3.3Å; A427-R430 VanDerWaalsContact O-N 3.16Å; Q428-R430 VanDerWaalsContact C-N 3.33Å; Q428-R430 PolarHBondContact O-N 3.17Å; R430-M432 PolarHBondContact O-N 2.89Å; R430-F433 PolarHBondContact O-N 3.08Å
431	E	94.9	Very high	96.5	Very high	135 Å²	135	46 Å²	46	63%	0.631	24%	0.235	S	C	*	.	H	α-helix	trans	-65.6	-20.3	175.6	-71.7	167.8	-177.2	0	0	112.7	A427 Q428 I429 F433	A427-E431 WeakPolarHBondContact O-CG 3.41Å; A427-E431 PolarHBondContact O-N 3.06Å; Q428-E431 WeakPolarHBondContact O-CB 2.95Å; Q428-E431 PolarHBondContact O-N 3.1Å; I429-E431 VanDerWaalsContact C-N 3.29Å; I429-E431 PolarHBondContact O-N 2.9Å; E431-F433 PolarHBondContact O-N 3.26Å
432	M	95.6	Very high	96.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16	174	-64.1	-64.6	-61.7	0	0	113.3	L372 T421 V423 Q428 I429 R430 D434 S437	L372-M432 HydrophobicContact CB-CB 4.44Å; L372-M432 HydrophobicContact CD2-CB 3.71Å; T421-M432 HydrophobicContact CG2-CE 3.84Å; T421-M432 HydrophobicContact CG2-SD 3.42Å; T421-M432 WeakPolarHBondContact CG2-SD 2.8Å; V423-M432 HydrophobicContact CB-CG 4.47Å; V423-M432 HydrophobicContact CG1-CG 3.65Å; V423-M432 HydrophobicContact CG1-SD 3.66Å; V423-M432 HydrophobicContact CG2-CG 4.12Å; Q428-M432 PolarHBondContact O-N 2.95Å; I429-M432 WeakPolarHBondContact O-CB 3.03Å; I429-M432 PolarHBondContact O-N 3.02Å; R430-M432 PolarHBondContact O-N 2.89Å; M432-D434 PolarHBondContact O-N 3.07Å; M432-S437 WeakPolarHBondContact O-CB 2.73Å; M432-S437 PolarHBondContact O-OG 2.9Å
433	F	95.1	Very high	96.7	Very high	57 Å²	57	39.7 Å²	39.7	25%	0.25	20%	0.195	C	C	.	.	S	Bend	trans	-83.9	70.1	177.6	-67	-99.4	0	0	0	109.8	E183 P184 W369 L372 I429 R430 E431 Y438	E183-F433 HydrophobicContact CG-CE1 4.21Å; E183-F433 HydrophobicContact CG-CZ 3.81Å; E183-F433 WeakPolarHBondContact OE2-CE1 3.41Å; P184-F433 HydrophobicContact CB-CE2 3.97Å; P184-F433 HydrophobicContact CB-CZ 4.15Å; P184-F433 HydrophobicContact CG-CE2 4.04Å; W369-F433 HydrophobicContact CE3-CE2 4.37Å; W369-F433 HydrophobicContact CE3-CZ 4.21Å; W369-F433 HydrophobicContact CZ3-CE2 4.41Å; W369-F433 AromaticContact CZ3-CZ 3.84Å; W369-F433 HydrophobicContact CZ3-CZ 3.84Å; L372-F433 HydrophobicContact CD1-CE1 3.99Å; L372-F433 HydrophobicContact CD1-CZ 3.9Å; L372-F433 HydrophobicContact CD2-CD1 3.82Å; L372-F433 HydrophobicContact CD2-CD2 3.62Å; L372-F433 HydrophobicContact CD2-CE1 3.76Å; L372-F433 HydrophobicContact CD2-CE2 3.57Å; L372-F433 HydrophobicContact CD2-CG 3.75Å; L372-F433 HydrophobicContact CD2-CZ 3.64Å; L372-F433 HydrophobicContact CG-CE1 4.5Å; L372-F433 HydrophobicContact CG-CZ 4.45Å; I429-F433 HydrophobicContact CG2-CE2 4.46Å; I429-F433 WeakPolarHBondContact O-CD2 3.38Å; R430-F433 PolarHBondContact O-N 3.08Å; E431-F433 PolarHBondContact O-N 3.26Å; F433-Y438 HydrophobicContact CB-CE2 4.28Å; F433-Y438 HydrophobicContact CD1-CE2 4.32Å
434	D	95.7	Very high	96.7	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.193	19%	0.191	C	C	.	.	S	Bend	trans	-138.3	173.6	-171.1	82.2	-32.4	0	0	0	113.1	H417 M432 V436 S437 Y438	H417-D434 IonicContact CE1-OD1 2.69Å; H417-D434 IonicContact CE1-OD2 2.7Å; H417-D434 IonicContact NE2-OD1 3.67Å; H417-D434 IonicContact NE2-OD2 2.63Å; H417-D434 PolarHBondContact NE2-OD2 3Å; M432-D434 PolarHBondContact O-N 3.07Å; D434-V436 PolarHBondContact O-N 3.36Å; D434-V436 WeakPolarHBondContact OD1-CB 3.46Å; D434-V436 PolarHBondContact OD1-N 2.04Å; D434-V436 WeakPolarHBondContact OD2-CB 3.48Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.49Å; D434-V436 PolarHBondContact OD2-N 3.33Å; D434-S437 PolarHBondContact O-N 3.16Å; D434-S437 VanDerWaalsContact O-N 3.11Å; D434-S437 PolarHBondContact OD1-N 3.24Å; D434-Y438 VanDerWaalsContact O-CD2 3.27Å; D434-Y438 WeakPolarHBondContact O-CD2 3.04Å; D434-Y438 PolarHBondContact O-N 3.27Å; D434-Y438 VanDerWaalsContact O-N 3.09Å
435	D	96.6	Very high	96.9	Very high	80 Å²	80	34.8 Å²	34.8	43%	0.428	17%	0.171	S	C	.	.	H	α-helix	trans	-61.8	-18.4	-177.6	-58.7	-21.3	0	0	0	112.8	V410 D439 K440	V410-D435 HydrophobicContact CG1-CB 4.18Å; D435-D439 WeakPolarHBondContact O-CA 3.43Å; D435-D439 WeakPolarHBondContact O-CB 3.49Å; D435-D439 PolarHBondContact O-N 3Å; D435-K440 PolarHBondContact O-N 3.46Å
436	V	97.4	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.167	C	C	.	.	I	π-helix	trans	-71.9	-49.5	173.5	179.5	0	0	0	0	110.9	V410 V419 D434 K440 G441	V410-V436 HydrophobicContact CG1-CG2 4.14Å; V419-V436 HydrophobicContact CG2-CG1 4.09Å; D434-V436 PolarHBondContact O-N 3.36Å; D434-V436 WeakPolarHBondContact OD1-CB 3.46Å; D434-V436 PolarHBondContact OD1-N 2.04Å; D434-V436 WeakPolarHBondContact OD2-CB 3.48Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.49Å; D434-V436 PolarHBondContact OD2-N 3.33Å; V436-K440 HydrophobicContact CG1-CD 4.19Å; V436-K440 WeakPolarHBondContact O-CB 3.45Å; V436-G441 PolarHBondContact O-N 2.99Å; V436-G441 VanDerWaalsContact O-N 3.16Å
437	S	97.5	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-68.1	-40.1	178.6	-65.9	0	0	0	0	112.7	G377 M432 D434	G377-S437 WeakPolarHBondContact CA-O 3.16Å; G377-S437 PolarHBondContact N-O 3.34Å; M432-S437 WeakPolarHBondContact O-CB 2.73Å; M432-S437 PolarHBondContact O-OG 2.9Å; D434-S437 PolarHBondContact O-N 3.16Å; D434-S437 VanDerWaalsContact O-N 3.11Å; D434-S437 PolarHBondContact OD1-N 3.24Å
438	Y	98.2	Very high	97.2	Very high	52 Å²	52	33 Å²	33	20%	0.204	15%	0.153	C	C	.	.	I	π-helix	trans	-80.2	-69.5	-178.2	-75.9	-97.9	0	0	0	112	H353 E376 F433 D434 A442	H353-Y438 AromaticContact CE1-CE1 3.87Å; H353-Y438 AromaticContact NE2-CE1 3.8Å; E376-Y438 HydrophobicContact CB-CD1 3.86Å; E376-Y438 HydrophobicContact CB-CD2 4.02Å; E376-Y438 HydrophobicContact CB-CE1 3.79Å; E376-Y438 HydrophobicContact CB-CE2 3.97Å; E376-Y438 HydrophobicContact CB-CG 3.98Å; E376-Y438 HydrophobicContact CG-CD1 4.49Å; E376-Y438 HydrophobicContact CG-CD2 4.32Å; E376-Y438 HydrophobicContact CG-CE1 3.95Å; E376-Y438 HydrophobicContact CG-CE2 3.77Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.35Å; E376-Y438 PolarHBondContact OE2-OH 3.32Å; F433-Y438 HydrophobicContact CB-CE2 4.28Å; F433-Y438 HydrophobicContact CD1-CE2 4.32Å; D434-Y438 VanDerWaalsContact O-CD2 3.27Å; D434-Y438 WeakPolarHBondContact O-CD2 3.04Å; D434-Y438 PolarHBondContact O-N 3.27Å; D434-Y438 VanDerWaalsContact O-N 3.09Å; Y438-A442 WeakPolarHBondContact O-CB 3.33Å; Y438-A442 PolarHBondContact O-N 3.24Å
439	D	98.4	Very high	97.2	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	15%	0.149	C	C	.	.	I	π-helix	trans	-80.5	-47.2	-165.8	-71.5	-18.9	0	0	0	111.4	K403 A407 D435 G441 A442 C443	K403-D439 HydrophobicContact CB-CB 4.15Å; K403-D439 WeakPolarHBondContact O-CB 2.84Å; A407-D439 HydrophobicContact CB-CB 3.92Å; D435-D439 WeakPolarHBondContact O-CA 3.43Å; D435-D439 WeakPolarHBondContact O-CB 3.49Å; D435-D439 PolarHBondContact O-N 3Å; D439-G441 VanDerWaalsContact C-N 3.32Å; D439-G441 PolarHBondContact O-N 3.09Å; D439-A442 PolarHBondContact O-N 2.82Å; D439-C443 WeakPolarHBondContact O-CB 3.3Å; D439-C443 PolarHBondContact O-N 3.43Å; D439-C443 PolarHBondContact O-SG 3.15Å
440	K	98.5	Very high	97	Very high	11 Å²	11	36.1 Å²	36.1	5%	0.048	17%	0.165	C	C	.	.	I	π-helix	trans	-62.2	-42.4	174.1	-179.9	177.2	178	173.7	0	110.8	A407 D411 V419 D435 V436 A442 C443 I444 G529	A407-K440 HydrophobicContact CB-CB 4Å; D411-K440 VanDerWaalsContact CG-NZ 3.3Å; D411-K440 IonicContact OD1-NZ 2.73Å; D411-K440 PolarHBondContact OD1-NZ 3.44Å; D411-K440 WeakPolarHBondContact OD2-CD 3.22Å; D411-K440 WeakPolarHBondContact OD2-CE 3.31Å; D411-K440 IonicContact OD2-NZ 2.6Å; D411-K440 PolarHBondContact OD2-NZ 3.16Å; V419-K440 HydrophobicContact CG2-CD 3.67Å; V419-K440 HydrophobicContact CG2-CG 3.94Å; D435-K440 PolarHBondContact O-N 3.46Å; V436-K440 HydrophobicContact CG1-CD 4.19Å; V436-K440 WeakPolarHBondContact O-CB 3.45Å; K440-A442 PolarHBondContact O-N 2.77Å; K440-C443 PolarHBondContact O-N 3.09Å; K440-I444 HydrophobicContact CG-CG2 4.32Å; K440-I444 WeakPolarHBondContact O-CG1 3.02Å; K440-I444 WeakPolarHBondContact O-CG2 3.17Å; K440-I444 PolarHBondContact O-N 3.38Å; K440-G529 PolarHBondContact NZ-O 3.15Å
441	G	98.4	Very high	96.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-52	-51.5	172.8	0	0	0	0	0	112.5	V436 D439 C443 I444 L445	V436-G441 PolarHBondContact O-N 2.99Å; V436-G441 VanDerWaalsContact O-N 3.16Å; D439-G441 VanDerWaalsContact C-N 3.32Å; D439-G441 PolarHBondContact O-N 3.09Å; G441-C443 PolarHBondContact O-N 2.69Å; G441-I444 VanDerWaalsContact O-CG1 3.22Å; G441-I444 WeakPolarHBondContact O-CG1 3.47Å; G441-L445 VanDerWaalsContact O-CG 3.3Å; G441-L445 WeakPolarHBondContact O-CG 3.07Å; G441-L445 PolarHBondContact O-N 2.97Å
442	A	98.7	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-40.8	177.3	0	0	0	0	0	113.3	G377 K380 F381 F400 Y438 D439 K440 L445 N446	G377-A442 WeakPolarHBondContact O-CA 3.28Å; K380-A442 HydrophobicContact CB-CB 3.92Å; K380-A442 HydrophobicContact CG-CB 3.58Å; F381-A442 HydrophobicContact CB-CB 3.93Å; F400-A442 HydrophobicContact CE2-CB 4.27Å; F400-A442 HydrophobicContact CZ-CB 4.46Å; Y438-A442 WeakPolarHBondContact O-CB 3.33Å; Y438-A442 PolarHBondContact O-N 3.24Å; D439-A442 PolarHBondContact O-N 2.82Å; K440-A442 PolarHBondContact O-N 2.77Å; A442-L445 PolarHBondContact O-N 3.14Å; A442-N446 PolarHBondContact O-N 2.96Å
443	C	98.6	Very high	96.2	Very high	19 Å²	19	27.3 Å²	27.3	13%	0.128	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-41.3	-179.8	-69.5	0	0	0	0	112.8	C404 D439 K440 G441 L445 N446 M447	C404-C443 WeakPolarHBondContact CA-SG 3.36Å; C404-C443 HydrophobicContact CB-CB 4Å; C404-C443 WeakPolarHBondContact CB-SG 3.49Å; C404-C443 PolarHBondContact N-SG 3.06Å; C404-C443 WeakPolarHBondContact SG-CB 3.48Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.15Å; D439-C443 WeakPolarHBondContact O-CB 3.3Å; D439-C443 PolarHBondContact O-N 3.43Å; D439-C443 PolarHBondContact O-SG 3.15Å; K440-C443 PolarHBondContact O-N 3.09Å; G441-C443 PolarHBondContact O-N 2.69Å; C443-L445 VanDerWaalsContact C-N 3.33Å; C443-N446 PolarHBondContact O-N 3.43Å; C443-M447 WeakPolarHBondContact O-CB 3.41Å; C443-M447 PolarHBondContact O-N 3.33Å
444	I	98.4	Very high	96	Very high	6 Å²	6	26 Å²	26	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-71.2	-30.1	176.6	66.8	173.9	0	0	0	112	W373 V419 K440 G441 M447 L448 M521 W524 T525	W373-I444 HydrophobicContact CZ3-CD1 4.48Å; V419-I444 HydrophobicContact CG2-CD1 4.41Å; K440-I444 HydrophobicContact CG-CG2 4.32Å; K440-I444 WeakPolarHBondContact O-CG1 3.02Å; K440-I444 WeakPolarHBondContact O-CG2 3.17Å; K440-I444 PolarHBondContact O-N 3.38Å; G441-I444 VanDerWaalsContact O-CG1 3.22Å; G441-I444 WeakPolarHBondContact O-CG1 3.47Å; I444-M447 HydrophobicContact CB-CE 4.35Å; I444-M447 HydrophobicContact CG2-CE 4.43Å; I444-L448 WeakPolarHBondContact O-CB 3.14Å; I444-L448 PolarHBondContact O-N 3.11Å; I444-M521 HydrophobicContact CB-CE 4.11Å; I444-M521 HydrophobicContact CD1-CE 4.24Å; I444-M521 HydrophobicContact CG1-CE 4.27Å; I444-W524 HydrophobicContact CD1-CB 4.32Å; I444-W524 HydrophobicContact CG2-CB 4.21Å; I444-W524 HydrophobicContact CG2-CD2 4.44Å; I444-W524 HydrophobicContact CG2-CE3 4.04Å; I444-T525 HydrophobicContact CD1-CG2 3.8Å
445	L	98.5	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.9	-43	171.4	-71.5	173.4	0	0	0	111.7	W373 F378 F381 G441 A442 C443 L448 R449 F457	W373-L445 HydrophobicContact CH2-CD2 4.48Å; W373-L445 HydrophobicContact CZ3-CD1 4.28Å; W373-L445 HydrophobicContact CZ3-CD2 4.06Å; W373-L445 HydrophobicContact CZ3-CG 4.12Å; F378-L445 HydrophobicContact CB-CD1 4.44Å; F378-L445 HydrophobicContact CD1-CD1 3.71Å; F378-L445 HydrophobicContact CD2-CD1 3.8Å; F378-L445 HydrophobicContact CE1-CD1 3.68Å; F378-L445 HydrophobicContact CE1-CD2 3.82Å; F378-L445 HydrophobicContact CE1-CG 4.37Å; F378-L445 HydrophobicContact CE2-CD1 3.83Å; F378-L445 HydrophobicContact CE2-CD2 3.85Å; F378-L445 HydrophobicContact CE2-CG 4.48Å; F378-L445 HydrophobicContact CG-CD1 3.75Å; F378-L445 HydrophobicContact CZ-CD1 3.77Å; F378-L445 HydrophobicContact CZ-CD2 3.37Å; F378-L445 HydrophobicContact CZ-CG 4.23Å; F381-L445 HydrophobicContact CB-CB 4.45Å; F381-L445 HydrophobicContact CB-CD1 4.17Å; F381-L445 HydrophobicContact CD1-CB 4.42Å; F381-L445 HydrophobicContact CD2-CB 4.32Å; F381-L445 HydrophobicContact CG-CB 4.13Å; G441-L445 VanDerWaalsContact O-CG 3.3Å; G441-L445 WeakPolarHBondContact O-CG 3.07Å; G441-L445 PolarHBondContact O-N 2.97Å; A442-L445 PolarHBondContact O-N 3.14Å; C443-L445 VanDerWaalsContact C-N 3.33Å; L445-L448 PolarHBondContact O-N 3.43Å; L445-R449 WeakPolarHBondContact O-CB 3.33Å; L445-R449 PolarHBondContact O-N 2.95Å; L445-F457 HydrophobicContact CB-CZ 4.4Å; L445-F457 HydrophobicContact CD2-CE2 4.3Å; L445-F457 HydrophobicContact CD2-CZ 4.21Å
446	N	98.3	Very high	95.4	Very high	38 Å²	38	26.3 Å²	26.3	20%	0.203	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-45.4	174.2	-176	67.6	0	0	0	111.5	F381 F400 A442 C443 L448 R449 E450	F381-N446 HydrophobicContact CD2-CB 4.07Å; F381-N446 HydrophobicContact CE2-CB 3.75Å; F400-N446 HydrophobicContact CD1-CB 4.48Å; F400-N446 HydrophobicContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CB 3.41Å; F400-N446 VanDerWaalsContact CE1-CG 3.46Å; F400-N446 WeakPolarHBondContact CE1-ND2 3.4Å; F400-N446 HydrophobicContact CZ-CB 3.45Å; F400-N446 VanDerWaalsContact CZ-CB 3.45Å; A442-N446 PolarHBondContact O-N 2.96Å; C443-N446 PolarHBondContact O-N 3.43Å; N446-L448 VanDerWaalsContact C-N 3.3Å; N446-L448 PolarHBondContact O-N 2.94Å; N446-R449 WeakPolarHBondContact O-CB 3.41Å; N446-R449 PolarHBondContact O-N 3.03Å; N446-E450 WeakPolarHBondContact O-CG 3.24Å; N446-E450 PolarHBondContact O-N 3.29Å
447	M	97.4	Very high	95.2	Very high	41 Å²	41	26.2 Å²	26.2	20%	0.202	14%	0.136	C	C	.	.	H	α-helix	trans	-58.2	-42.7	174.4	176.1	-174.5	70	0	0	111.7	C443 I444 E450 Y451 M520 W524 P566	C443-M447 WeakPolarHBondContact O-CB 3.41Å; C443-M447 PolarHBondContact O-N 3.33Å; I444-M447 HydrophobicContact CB-CE 4.35Å; I444-M447 HydrophobicContact CG2-CE 4.43Å; M447-E450 PolarHBondContact O-N 3.03Å; M447-Y451 WeakPolarHBondContact O-CB 3.23Å; M447-Y451 PolarHBondContact O-N 3.04Å; M447-M520 HydrophobicContact CE-CE 4.19Å; M447-W524 HydrophobicContact CE-CD2 3.6Å; M447-W524 HydrophobicContact CE-CE3 4.22Å; M447-W524 HydrophobicContact CE-CG 3.84Å; M447-W524 HydrophobicContact CE-CH2 4.38Å; M447-W524 HydrophobicContact CE-CZ2 3.8Å; M447-W524 HydrophobicContact SD-CH2 4.16Å; M447-W524 HydrophobicContact SD-CZ2 3.78Å; M447-P566 HydrophobicContact CG-CG 3.5Å; M447-P566 HydrophobicContact SD-CG 3.72Å
448	L	96.1	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-42.5	176.4	-179.3	62	0	0	0	111.9	I444 L445 N446 E450 Y451 L452 F457 W479 V517 M521	I444-L448 WeakPolarHBondContact O-CB 3.14Å; I444-L448 PolarHBondContact O-N 3.11Å; L445-L448 PolarHBondContact O-N 3.43Å; N446-L448 VanDerWaalsContact C-N 3.3Å; N446-L448 PolarHBondContact O-N 2.94Å; L448-E450 VanDerWaalsContact C-N 3.33Å; L448-E450 PolarHBondContact O-N 3.5Å; L448-Y451 HydrophobicContact CD1-CD1 4.41Å; L448-Y451 PolarHBondContact O-N 3.37Å; L448-L452 HydrophobicContact CD1-CD1 3.74Å; L448-L452 HydrophobicContact CD1-CG 3.81Å; L448-L452 HydrophobicContact CD2-CD1 4.5Å; L448-L452 HydrophobicContact CG-CD1 3.96Å; L448-L452 HydrophobicContact CG-CG 4.32Å; L448-L452 WeakPolarHBondContact O-CB 3.47Å; L448-L452 PolarHBondContact O-N 3.17Å; L448-F457 HydrophobicContact CB-CE2 4.48Å; L448-F457 HydrophobicContact CD2-CD2 4.46Å; L448-F457 HydrophobicContact CD2-CE2 4.21Å; L448-F457 HydrophobicContact CG-CD2 4.28Å; L448-F457 HydrophobicContact CG-CE2 4.34Å; L448-W479 HydrophobicContact CD2-CE3 4.33Å; L448-W479 HydrophobicContact CD2-CH2 4.44Å; L448-W479 HydrophobicContact CD2-CZ3 3.59Å; L448-V517 HydrophobicContact CD1-CG1 4.06Å; L448-V517 HydrophobicContact CD2-CG1 4.27Å; L448-M521 HydrophobicContact CB-CE 4.26Å; L448-M521 HydrophobicContact CB-SD 4.11Å; L448-M521 HydrophobicContact CD1-CG 4.17Å; L448-M521 HydrophobicContact CD1-SD 3.9Å; L448-M521 HydrophobicContact CD2-CE 4.27Å; L448-M521 HydrophobicContact CD2-CG 4.05Å; L448-M521 HydrophobicContact CD2-SD 4.12Å; L448-M521 HydrophobicContact CG-SD 4.27Å
449	R	95.8	Very high	94.8	Very high	63 Å²	63	29.6 Å²	29.6	24%	0.238	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-44.4	174.4	176.2	179.5	174.5	-90.7	9.2	111.3	F381 L445 N446 Y451 S453 F457	F381-R449 HydrophobicContact CZ-CB 4.41Å; L445-R449 WeakPolarHBondContact O-CB 3.33Å; L445-R449 PolarHBondContact O-N 2.95Å; N446-R449 WeakPolarHBondContact O-CB 3.41Å; N446-R449 PolarHBondContact O-N 3.03Å; R449-Y451 VanDerWaalsContact C-N 3.3Å; R449-Y451 PolarHBondContact O-N 3.11Å; R449-S453 CarbonylContact O-C 3.56Å; R449-S453 WeakPolarHBondContact O-CA 3.37Å; R449-S453 PolarHBondContact O-N 3.32Å; R449-F457 HydrophobicContact CB-CB 4.17Å; R449-F457 HydrophobicContact CB-CD1 4.13Å; R449-F457 HydrophobicContact CB-CD2 3.84Å; R449-F457 HydrophobicContact CB-CE2 4.24Å; R449-F457 HydrophobicContact CB-CG 3.77Å; R449-F457 HydrophobicContact CG-CB 4.08Å; R449-F457 HydrophobicContact CG-CD1 4.21Å; R449-F457 HydrophobicContact CG-CG 4.04Å
450	E	93	Very high	94.6	Very high	78 Å²	78	29.3 Å²	29.3	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-68.8	-30.8	178	-71.2	-52.5	126.3	0	0	112.3	N446 M447 L448 R579	N446-E450 WeakPolarHBondContact O-CG 3.24Å; N446-E450 PolarHBondContact O-N 3.29Å; M447-E450 PolarHBondContact O-N 3.03Å; L448-E450 VanDerWaalsContact C-N 3.33Å; L448-E450 PolarHBondContact O-N 3.5Å; E450-R579 VanDerWaalsContact O-CZ 3.3Å; E450-R579 PolarHBondContact O-NH1 3.27Å; E450-R579 PolarHBondContact O-NH2 3.34Å
451	Y	91.4	Very high	94.5	Very high	27 Å²	27	28.9 Å²	28.9	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-73.7	-46.9	176.5	176.1	-111.9	0	0	0	112.9	M447 L448 R449 V515 M520 P566 L581	M447-Y451 WeakPolarHBondContact O-CB 3.23Å; M447-Y451 PolarHBondContact O-N 3.04Å; L448-Y451 HydrophobicContact CD1-CD1 4.41Å; L448-Y451 PolarHBondContact O-N 3.37Å; R449-Y451 VanDerWaalsContact C-N 3.3Å; R449-Y451 PolarHBondContact O-N 3.11Å; Y451-V515 HydrophobicContact CE1-CG1 4.07Å; Y451-M520 HydrophobicContact CD1-CE 4.24Å; Y451-M520 HydrophobicContact CD1-SD 4Å; Y451-M520 HydrophobicContact CE1-SD 3.95Å; Y451-M520 HydrophobicContact CG-CE 4.41Å; Y451-P566 HydrophobicContact CD2-CB 3.52Å; Y451-P566 HydrophobicContact CE2-CB 4.25Å; Y451-P566 HydrophobicContact CG-CB 3.96Å; Y451-L581 HydrophobicContact CE2-CD1 4.35Å
452	L	88.5	Confident	94.4	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.073	16%	0.162	C	C	.	.	H	α-helix	trans	-78.8	-21.2	178.1	-65.4	-178.1	0	0	0	112.3	L448 F497 V515 V517	L448-L452 HydrophobicContact CD1-CD1 3.74Å; L448-L452 HydrophobicContact CD1-CG 3.81Å; L448-L452 HydrophobicContact CD2-CD1 4.5Å; L448-L452 HydrophobicContact CG-CD1 3.96Å; L448-L452 HydrophobicContact CG-CG 4.32Å; L448-L452 WeakPolarHBondContact O-CB 3.47Å; L448-L452 PolarHBondContact O-N 3.17Å; L452-F497 WeakPolarHBondContact O-CE1 3.48Å; L452-F497 WeakPolarHBondContact O-CZ 3.38Å; L452-V515 HydrophobicContact CD2-CG1 3.63Å; L452-V517 HydrophobicContact CD1-CG2 4.29Å; L452-V517 HydrophobicContact CD2-CG2 4.08Å
453	S	90.3	Very high	94.3	Very high	44 Å²	44	33.3 Å²	33.3	31%	0.308	18%	0.178	S	C	.	.			trans	76	154.6	-161.2	122.3	0	0	0	0	114.5	R449 D455 F457 F497	R449-S453 CarbonylContact O-C 3.56Å; R449-S453 WeakPolarHBondContact O-CA 3.37Å; R449-S453 PolarHBondContact O-N 3.32Å; S453-D455 PolarHBondContact O-N 3.48Å; S453-F457 WeakPolarHBondContact O-CB 3.49Å; S453-F457 PolarHBondContact O-N 3.19Å; S453-F457 VanDerWaalsContact O-N 3.12Å; S453-F497 WeakPolarHBondContact OG-CE2 3.31Å; S453-F497 WeakPolarHBondContact OG-CZ 3.49Å
454	A	90.4	Very high	94.3	Very high	31 Å²	31	32.5 Å²	32.5	26%	0.256	17%	0.172	S	C	.	.	H	α-helix	trans	-58.7	-39.8	-171.3	0	0	0	0	0	113.9	K458	A454-K458 VanDerWaalsContact O-CB 3.24Å; A454-K458 WeakPolarHBondContact O-CB 3.49Å; A454-K458 PolarHBondContact O-N 3.42Å
455	D	90.1	Very high	94.3	Very high	115 Å²	115	32.2 Å²	32.2	62%	0.615	17%	0.171	S	C	*	.	H	α-helix	trans	-72.7	-42.2	-173.7	-68.9	-31.4	0	0	0	112.8	S453 S459 F497	S453-D455 PolarHBondContact O-N 3.48Å; D455-S459 WeakPolarHBondContact O-CB 3.46Å; D455-S459 PolarHBondContact O-N 3.4Å; D455-S459 PolarHBondContact O-OG 3.38Å; D455-F497 HydrophobicContact CB-CE2 4.45Å
456	A	88.6	Confident	94.2	Very high	6 Å²	6	37.6 Å²	37.6	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-72.1	-37.8	175	0	0	0	0	0	112.3	K458 S459 G460 I485 F497	A456-K458 VanDerWaalsContact C-N 3.33Å; A456-K458 PolarHBondContact O-N 3.16Å; A456-S459 PolarHBondContact O-N 2.97Å; A456-G460 PolarHBondContact O-N 3.19Å; A456-I485 HydrophobicContact CB-CG2 3.87Å; A456-F497 HydrophobicContact CB-CD1 3.76Å; A456-F497 HydrophobicContact CB-CE1 2.99Å; A456-F497 HydrophobicContact CB-CE2 4.3Å; A456-F497 HydrophobicContact CB-CZ 3.23Å
457	F	94.1	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-49.2	173.1	-177.1	-88.2	0	0	0	110.5	F378 F381 L445 L448 R449 S453 S459 G460 I461 M482	F378-F457 HydrophobicContact CE1-CZ 4.23Å; F381-F457 HydrophobicContact CD1-CE1 4.47Å; F381-F457 AromaticContact CE1-CE1 3.67Å; F381-F457 HydrophobicContact CE1-CE1 3.67Å; F381-F457 HydrophobicContact CE1-CZ 4.03Å; F381-F457 HydrophobicContact CZ-CE1 4.31Å; L445-F457 HydrophobicContact CB-CZ 4.4Å; L445-F457 HydrophobicContact CD2-CE2 4.3Å; L445-F457 HydrophobicContact CD2-CZ 4.21Å; L448-F457 HydrophobicContact CB-CE2 4.48Å; L448-F457 HydrophobicContact CD2-CD2 4.46Å; L448-F457 HydrophobicContact CD2-CE2 4.21Å; L448-F457 HydrophobicContact CG-CD2 4.28Å; L448-F457 HydrophobicContact CG-CE2 4.34Å; R449-F457 HydrophobicContact CB-CB 4.17Å; R449-F457 HydrophobicContact CB-CD1 4.13Å; R449-F457 HydrophobicContact CB-CD2 3.84Å; R449-F457 HydrophobicContact CB-CE2 4.24Å; R449-F457 HydrophobicContact CB-CG 3.77Å; R449-F457 HydrophobicContact CG-CB 4.08Å; R449-F457 HydrophobicContact CG-CD1 4.21Å; R449-F457 HydrophobicContact CG-CG 4.04Å; S453-F457 WeakPolarHBondContact O-CB 3.49Å; S453-F457 PolarHBondContact O-N 3.19Å; S453-F457 VanDerWaalsContact O-N 3.12Å; F457-S459 VanDerWaalsContact C-N 3.35Å; F457-S459 PolarHBondContact O-N 3.22Å; F457-G460 PolarHBondContact O-N 3.28Å; F457-I461 HydrophobicContact CD1-CG1 4.04Å; F457-I461 HydrophobicContact CE1-CD1 4.28Å; F457-I461 HydrophobicContact CE1-CG1 3.67Å; F457-I461 HydrophobicContact CZ-CD1 4.24Å; F457-I461 HydrophobicContact CZ-CG1 4.09Å; F457-I461 WeakPolarHBondContact O-CG1 3.35Å; F457-I461 PolarHBondContact O-N 3.13Å; F457-M482 HydrophobicContact CD2-CE 3.78Å; F457-M482 HydrophobicContact CD2-SD 4.28Å; F457-M482 HydrophobicContact CE2-CE 3.59Å; F457-M482 HydrophobicContact CG-CE 4.38Å; F457-M482 HydrophobicContact CZ-CE 4.02Å
458	K	94.6	Very high	94.3	Very high	64 Å²	64	39.8 Å²	39.8	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-57.7	-46.3	176	-176.7	-176.6	-178.7	-174.5	0	111.7	Y296 A454 A456 G460 I461 V462	Y296-K458 HydrophobicContact CD2-CD 4.35Å; Y296-K458 HydrophobicContact CE1-CD 4.32Å; Y296-K458 HydrophobicContact CE1-CG 4.01Å; Y296-K458 HydrophobicContact CE2-CD 3.88Å; Y296-K458 HydrophobicContact CE2-CG 4.4Å; Y296-K458 WeakPolarHBondContact O-CE 3.43Å; Y296-K458 PolarHBondContact O-NZ 3.43Å; A454-K458 VanDerWaalsContact O-CB 3.24Å; A454-K458 WeakPolarHBondContact O-CB 3.49Å; A454-K458 PolarHBondContact O-N 3.42Å; A456-K458 VanDerWaalsContact C-N 3.33Å; A456-K458 PolarHBondContact O-N 3.16Å; K458-G460 VanDerWaalsContact C-N 3.34Å; K458-G460 PolarHBondContact O-N 3.29Å; K458-I461 PolarHBondContact O-N 3.04Å; K458-V462 WeakPolarHBondContact O-CG2 3.39Å; K458-V462 PolarHBondContact O-N 3.05Å
459	S	92.6	Very high	94.4	Very high	59 Å²	59	41.2 Å²	41.2	41%	0.413	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-42.7	179.4	-58.7	0	0	0	0	112.1	D455 A456 F457 I461 V462 Q463	D455-S459 WeakPolarHBondContact O-CB 3.46Å; D455-S459 PolarHBondContact O-N 3.4Å; D455-S459 PolarHBondContact O-OG 3.38Å; A456-S459 PolarHBondContact O-N 2.97Å; F457-S459 VanDerWaalsContact C-N 3.35Å; F457-S459 PolarHBondContact O-N 3.22Å; S459-I461 PolarHBondContact O-N 3.13Å; S459-V462 PolarHBondContact O-N 3.1Å; S459-Q463 WeakPolarHBondContact O-CB 3.36Å; S459-Q463 PolarHBondContact O-N 2.05Å
460	G	94.3	Very high	94.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-39	176.9	0	0	0	0	0	112.6	A456 F457 K458 Y464	A456-G460 PolarHBondContact O-N 3.19Å; F457-G460 PolarHBondContact O-N 3.28Å; K458-G460 VanDerWaalsContact C-N 3.34Å; K458-G460 PolarHBondContact O-N 3.29Å; G460-Y464 VanDerWaalsContact O-CB 3.31Å; G460-Y464 WeakPolarHBondContact O-CB 3.46Å; G460-Y464 PolarHBondContact O-N 2.87Å
461	I	96.4	Very high	94.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-46.3	174.4	-71.8	-59.2	0	0	0	112.5	F297 F360 F378 F457 K458 S459 Q463 Y464 L465 L478 M482	F297-I461 HydrophobicContact CD1-CG2 4.09Å; F297-I461 HydrophobicContact CE1-CG2 3.96Å; F360-I461 HydrophobicContact CE1-CD1 4.26Å; F360-I461 HydrophobicContact CE1-CG2 4.15Å; F360-I461 HydrophobicContact CZ-CD1 4.34Å; F360-I461 HydrophobicContact CZ-CG2 3.5Å; F378-I461 HydrophobicContact CD1-CD1 4.22Å; F378-I461 HydrophobicContact CE1-CD1 3.2Å; F378-I461 HydrophobicContact CE1-CG1 4.3Å; F378-I461 HydrophobicContact CZ-CD1 3.54Å; F457-I461 HydrophobicContact CD1-CG1 4.04Å; F457-I461 HydrophobicContact CE1-CD1 4.28Å; F457-I461 HydrophobicContact CE1-CG1 3.67Å; F457-I461 HydrophobicContact CZ-CD1 4.24Å; F457-I461 HydrophobicContact CZ-CG1 4.09Å; F457-I461 WeakPolarHBondContact O-CG1 3.35Å; F457-I461 PolarHBondContact O-N 3.13Å; K458-I461 PolarHBondContact O-N 3.04Å; S459-I461 PolarHBondContact O-N 3.13Å; I461-Q463 VanDerWaalsContact C-N 3.31Å; I461-Q463 PolarHBondContact O-N 3.26Å; I461-Y464 WeakPolarHBondContact O-CB 3.37Å; I461-Y464 PolarHBondContact O-N 2.62Å; I461-L465 HydrophobicContact CG2-CD1 4.01Å; I461-L465 HydrophobicContact CG2-CG 4.46Å; I461-L465 WeakPolarHBondContact O-CG 3.06Å; I461-L465 PolarHBondContact O-N 3.04Å; I461-L478 HydrophobicContact CD1-CD1 4.21Å; I461-M482 HydrophobicContact CD1-CE 3.28Å; I461-M482 HydrophobicContact CG1-CE 3.56Å
462	V	96.6	Very high	95.1	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-44.7	178.4	171.2	0	0	0	0	110.2	F297 K458 S459 Y464 L465 Q466	F297-V462 WeakPolarHBondContact O-CG1 3.47Å; F297-V462 WeakPolarHBondContact O-CG2 3.38Å; K458-V462 WeakPolarHBondContact O-CG2 3.39Å; K458-V462 PolarHBondContact O-N 3.05Å; S459-V462 PolarHBondContact O-N 3.1Å; V462-Y464 PolarHBondContact O-N 3.15Å; V462-L465 PolarHBondContact O-N 2.72Å; V462-Q466 HydrophobicContact CG1-CG 4.34Å; V462-Q466 WeakPolarHBondContact O-CB 3.14Å; V462-Q466 VanDerWaalsContact O-CG 3.26Å; V462-Q466 WeakPolarHBondContact O-CG 3.24Å; V462-Q466 PolarHBondContact O-N 3.06Å
463	Q	96.1	Very high	95.6	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-42.2	176.7	-176.3	177.6	-16.7	0	0	112.4	S459 I461 K467 S484	S459-Q463 WeakPolarHBondContact O-CB 3.36Å; S459-Q463 PolarHBondContact O-N 2.05Å; I461-Q463 VanDerWaalsContact C-N 3.31Å; I461-Q463 PolarHBondContact O-N 3.26Å; Q463-K467 WeakPolarHBondContact O-CB 3.29Å; Q463-K467 PolarHBondContact O-N 3.1Å; Q463-S484 VanDerWaalsContact CD-OG 3.27Å; Q463-S484 PolarHBondContact NE2-OG 3.42Å; Q463-S484 PolarHBondContact OE1-OG 3.07Å; Q463-S484 VanDerWaalsContact OE1-OG 3.1Å
464	Y	98.1	Very high	95.9	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-57.4	-52.1	174.7	168.2	-101.6	0	0	0	111.3	F360 V364 G460 I461 V462 Q466 K467 H468 T473 L478	F360-Y464 HydrophobicContact CD1-CE1 4.47Å; F360-Y464 HydrophobicContact CE1-CD1 4.46Å; F360-Y464 HydrophobicContact CE1-CE1 4.38Å; V364-Y464 HydrophobicContact CB-CE1 4.46Å; V364-Y464 HydrophobicContact CG1-CE1 3.95Å; G460-Y464 VanDerWaalsContact O-CB 3.31Å; G460-Y464 WeakPolarHBondContact O-CB 3.46Å; G460-Y464 PolarHBondContact O-N 2.87Å; I461-Y464 WeakPolarHBondContact O-CB 3.37Å; I461-Y464 PolarHBondContact O-N 2.62Å; V462-Y464 PolarHBondContact O-N 3.15Å; Y464-Q466 PolarHBondContact O-N 3.34Å; Y464-K467 PolarHBondContact O-N 2.72Å; Y464-H468 WeakPolarHBondContact O-CB 3.45Å; Y464-H468 PolarHBondContact O-CD2 2.85Å; Y464-H468 VanDerWaalsContact O-CD2 3.32Å; Y464-H468 PolarHBondContact O-N 3.2Å; Y464-H468 VanDerWaalsContact O-N 3.09Å; Y464-T473 HydrophobicContact CE2-CG2 3.58Å; Y464-T473 WeakPolarHBondContact OH-CB 3.49Å; Y464-T473 PolarHBondContact OH-OG1 2.92Å; Y464-L478 HydrophobicContact CD1-CD1 4.36Å; Y464-L478 HydrophobicContact CD2-CB 4.35Å; Y464-L478 HydrophobicContact CD2-CD1 4.09Å; Y464-L478 HydrophobicContact CE2-CB 4.07Å; Y464-L478 HydrophobicContact CE2-CD1 4.27Å; Y464-L478 HydrophobicContact CG-CD1 4.12Å
465	L	98.4	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-45	-179.7	-70.5	173.7	0	0	0	111.9	F297 I299 W359 F360 V364 I461 V462 S469	F297-L465 HydrophobicContact CB-CD1 4.28Å; F297-L465 HydrophobicContact CD1-CD1 3.77Å; F297-L465 HydrophobicContact CD2-CD1 4.46Å; F297-L465 HydrophobicContact CE1-CD1 4.27Å; F297-L465 HydrophobicContact CG-CD1 3.92Å; I299-L465 HydrophobicContact CD1-CB 3.49Å; I299-L465 VanDerWaalsContact CD1-CB 3.49Å; I299-L465 HydrophobicContact CD1-CD1 4.28Å; W359-L465 HydrophobicContact CB-CD1 4.08Å; W359-L465 HydrophobicContact CB-CD2 4.14Å; W359-L465 HydrophobicContact CG-CD1 4.44Å; F360-L465 HydrophobicContact CD1-CD2 4.04Å; F360-L465 HydrophobicContact CE1-CD1 4.31Å; F360-L465 HydrophobicContact CE1-CD2 3.93Å; F360-L465 HydrophobicContact CE1-CG 4.24Å; F360-L465 HydrophobicContact CE2-CD1 4.36Å; F360-L465 HydrophobicContact CZ-CD1 3.98Å; F360-L465 HydrophobicContact CZ-CD2 4.39Å; F360-L465 HydrophobicContact CZ-CG 4.4Å; V364-L465 HydrophobicContact CB-CD2 4.23Å; V364-L465 HydrophobicContact CG2-CD2 3.8Å; I461-L465 HydrophobicContact CG2-CD1 4.01Å; I461-L465 HydrophobicContact CG2-CG 4.46Å; I461-L465 WeakPolarHBondContact O-CG 3.06Å; I461-L465 PolarHBondContact O-N 3.04Å; V462-L465 PolarHBondContact O-N 2.72Å; L465-S469 WeakPolarHBondContact O-CA 3.4Å; L465-S469 WeakPolarHBondContact O-CB 3.23Å; L465-S469 PolarHBondContact O-N 2.93Å; L465-S469 PolarHBondContact O-OG 3.23Å
466	Q	97.4	Very high	96.3	Very high	113 Å²	113	44.9 Å²	44.9	53%	0.528	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-46.5	178.7	-72.8	174.1	-9	0	0	112.3	I299 V462 Y464 H468	I299-Q466 HydrophobicContact CD1-CG 3.85Å; I299-Q466 HydrophobicContact CG1-CG 4.08Å; V462-Q466 HydrophobicContact CG1-CG 4.34Å; V462-Q466 WeakPolarHBondContact O-CB 3.14Å; V462-Q466 VanDerWaalsContact O-CG 3.26Å; V462-Q466 WeakPolarHBondContact O-CG 3.24Å; V462-Q466 PolarHBondContact O-N 3.06Å; Y464-Q466 PolarHBondContact O-N 3.34Å; Q466-H468 VanDerWaalsContact C-N 3.31Å; Q466-H468 PolarHBondContact O-N 3.32Å
467	K	98.1	Very high	96.8	Very high	109 Å²	109	46.5 Å²	46.5	47%	0.474	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-36.6	-177.5	-179.8	-178.7	169.2	-156.7	0	112.2	Q463 Y464	Q463-K467 WeakPolarHBondContact O-CB 3.29Å; Q463-K467 PolarHBondContact O-N 3.1Å; Y464-K467 PolarHBondContact O-N 2.72Å
468	H	98.5	Very high	96.9	Very high	16 Å²	16	46.5 Å²	46.5	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-107.7	10.1	-172.4	-62.2	-87.7	0	0	0	114.1	V364 Y464 Q466 Y470 K471 T473 D477	V364-H468 HydrophobicContact CG1-CB 3.84Å; V364-H468 HydrophobicContact CG2-CB 4.15Å; Y464-H468 WeakPolarHBondContact O-CB 3.45Å; Y464-H468 PolarHBondContact O-CD2 2.85Å; Y464-H468 VanDerWaalsContact O-CD2 3.32Å; Y464-H468 PolarHBondContact O-N 3.2Å; Y464-H468 VanDerWaalsContact O-N 3.09Å; Q466-H468 VanDerWaalsContact C-N 3.31Å; Q466-H468 PolarHBondContact O-N 3.32Å; H468-Y470 PolarHBondContact O-N 3.39Å; H468-K471 WeakPolarHBondContact O-CB 2.99Å; H468-K471 PolarHBondContact O-N 2.97Å; H468-T473 HydrophobicContact CB-CG2 3.48Å; H468-T473 VanDerWaalsContact CB-CG2 3.48Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.21Å; H468-D477 IonicContact CE1-OD1 2.79Å
469	S	98.6	Very high	96.9	Very high	30 Å²	30	43.5 Å²	43.5	21%	0.21	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	131.2	176.6	-75.7	0	0	0	0	112.7	L465 K471	L465-S469 WeakPolarHBondContact O-CA 3.4Å; L465-S469 WeakPolarHBondContact O-CB 3.23Å; L465-S469 PolarHBondContact O-N 2.93Å; L465-S469 PolarHBondContact O-OG 3.23Å; S469-K471 PolarHBondContact O-N 3Å
470	Y	98.5	Very high	96.9	Very high	79 Å²	79	43.8 Å²	43.8	31%	0.31	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	21.8	-176.7	-50	-74.8	0	0	0	115	V240 P302 W322 L363 H468	V240-Y470 HydrophobicContact CB-CD1 4.24Å; V240-Y470 HydrophobicContact CB-CE1 3.76Å; V240-Y470 HydrophobicContact CG1-CE1 4.13Å; V240-Y470 HydrophobicContact CG2-CD1 4.36Å; V240-Y470 HydrophobicContact CG2-CE1 3.89Å; P302-Y470 WeakPolarHBondContact CB-OH 3.38Å; W322-Y470 HydrophobicContact CH2-CD1 4.04Å; W322-Y470 AromaticContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CZ2-CE1 4.46Å; L363-Y470 HydrophobicContact CD1-CD1 4.02Å; L363-Y470 HydrophobicContact CD1-CD2 4.19Å; L363-Y470 HydrophobicContact CD1-CE1 3.78Å; L363-Y470 HydrophobicContact CD1-CE2 3.96Å; L363-Y470 HydrophobicContact CD1-CG 4.22Å; L363-Y470 WeakPolarHBondContact O-CA 3.48Å; L363-Y470 PolarHBondContact O-N 2.93Å; H468-Y470 PolarHBondContact O-N 3.39Å
471	K	98.4	Very high	96.8	Very high	126 Å²	126	43.8 Å²	43.8	55%	0.548	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	-169.8	177.8	-58.8	176	-174.2	170.4	0	109.8	K200 T365 H468 S469	K200-K471 WeakPolarHBondContact CE-O 3.36Å; K200-K471 PolarHBondContact NZ-O 3.31Å; K200-K471 VanDerWaalsContact NZ-O 3.1Å; T365-K471 PolarHBondContact N-O 3.47Å; H468-K471 WeakPolarHBondContact O-CB 2.99Å; H468-K471 PolarHBondContact O-N 2.97Å; S469-K471 PolarHBondContact O-N 3Å
472	N	98.6	Very high	96.5	Very high	29 Å²	29	44 Å²	44	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	162.1	177.2	-57.3	73.7	0	0	0	111.8	P197 T365 M366 E367	P197-N472 PolarHBondContact O-ND2 3.3Å; T365-N472 CarbonylContact O-C 3.43Å; T365-N472 WeakPolarHBondContact O-CA 3.05Å; T365-N472 WeakPolarHBondContact O-CB 3.43Å; M366-N472 PolarHBondContact O-ND2 3.02Å; E367-N472 HydrophobicContact CB-CB 4.13Å
473	T	98.3	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.7	-176.6	47.3	0	0	0	0	112.7	V364 T365 M366 E367 Y464 H468 D477	V364-T473 HydrophobicContact CG1-CG2 3.61Å; T365-T473 PolarHBondContact O-N 3.01Å; M366-T473 CarbonylContact C-O 3.5Å; M366-T473 WeakPolarHBondContact CA-O 3.42Å; E367-T473 PolarHBondContact N-O 2.93Å; Y464-T473 HydrophobicContact CE2-CG2 3.58Å; Y464-T473 WeakPolarHBondContact OH-CB 3.49Å; Y464-T473 PolarHBondContact OH-OG1 2.92Å; H468-T473 HydrophobicContact CB-CG2 3.48Å; H468-T473 VanDerWaalsContact CB-CG2 3.48Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.21Å; T473-D477 WeakPolarHBondContact CA-OD2 3.33Å; T473-D477 HydrophobicContact CG2-CB 4.05Å
474	K	97.7	Very high	95.5	Very high	88 Å²	88	43.5 Å²	43.5	38%	0.383	22%	0.215	S	C	.	.			trans	-110.3	169.6	168.6	-63.5	177.3	-175.6	-179	0	110.7	E367 E476 D477	E367-K474 HydrophobicContact CB-CG 4.27Å; E367-K474 WeakPolarHBondContact OE1-CE 3.13Å; E367-K474 IonicContact OE1-NZ 3.03Å; E367-K474 PolarHBondContact OE1-NZ 3.28Å; E367-K474 WeakPolarHBondContact OE2-CE 3.43Å; E367-K474 IonicContact OE2-NZ 2.62Å; E367-K474 PolarHBondContact OE2-NZ 3.42Å; K474-E476 PolarHBondContact O-N 2.96Å; K474-E476 VanDerWaalsContact O-N 3.1Å; K474-D477 PolarHBondContact N-OD2 3.3Å; K474-D477 PolarHBondContact O-N 3.45Å
475	N	94.1	Very high	94.6	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-45.4	-42.1	171.6	-161	62.5	0	0	0	112.9	D371 W373 W479 T525	D371-N475 PolarHBondContact OD2-N 2.58Å; W373-N475 WeakPolarHBondContact CZ2-OD1 3.42Å; W373-N475 PolarHBondContact NE1-OD1 3.38Å; N475-W479 PolarHBondContact ND2-NE1 2.91Å; N475-W479 PolarHBondContact O-NE1 3.37Å; N475-T525 PolarHBondContact ND2-OG1 3.32Å
476	E	95.3	Very high	92.7	Very high	117 Å²	117	46.3 Å²	46.3	55%	0.547	23%	0.231	S	C	.	.	H	α-helix	trans	-67.7	-35.1	-177.9	-63	-175.2	173.1	0	0	114.1	K474 L478 W479 D480	K474-E476 PolarHBondContact O-N 2.96Å; K474-E476 VanDerWaalsContact O-N 3.1Å; E476-L478 VanDerWaalsContact C-N 3.29Å; E476-L478 PolarHBondContact O-N 2.86Å; E476-W479 PolarHBondContact O-N 3.28Å; E476-D480 PolarHBondContact O-N 3.43Å
477	D	97.6	Very high	90.3	Very high	41 Å²	41	45 Å²	45	22%	0.219	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-35.7	-178.1	-68.7	-60.5	0	0	0	112	H468 T473 K474 S481	H468-D477 IonicContact CE1-OD1 2.79Å; T473-D477 WeakPolarHBondContact CA-OD2 3.33Å; T473-D477 HydrophobicContact CG2-CB 4.05Å; K474-D477 PolarHBondContact N-OD2 3.3Å; K474-D477 PolarHBondContact O-N 3.45Å; D477-S481 PolarHBondContact O-N 3.03Å; D477-S481 VanDerWaalsContact O-N 3.13Å; D477-S481 PolarHBondContact O-OG 3.17Å
478	L	96.6	Very high	87.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-49.1	174.5	176.6	66.1	0	0	0	110.8	W373 L374 F378 I461 Y464 E476 D480 S481 M482	W373-L478 HydrophobicContact CH2-CD2 3.56Å; W373-L478 HydrophobicContact CZ2-CD2 4.09Å; W373-L478 HydrophobicContact CZ3-CD2 4.47Å; L374-L478 HydrophobicContact CD2-CB 4.28Å; L374-L478 HydrophobicContact CD2-CD2 3.79Å; F378-L478 HydrophobicContact CE2-CD1 4.09Å; F378-L478 HydrophobicContact CE2-CD2 3.6Å; F378-L478 HydrophobicContact CE2-CG 4.5Å; F378-L478 HydrophobicContact CZ-CD1 3.76Å; F378-L478 HydrophobicContact CZ-CD2 3.82Å; F378-L478 HydrophobicContact CZ-CG 4.44Å; I461-L478 HydrophobicContact CD1-CD1 4.21Å; Y464-L478 HydrophobicContact CD1-CD1 4.36Å; Y464-L478 HydrophobicContact CD2-CB 4.35Å; Y464-L478 HydrophobicContact CD2-CD1 4.09Å; Y464-L478 HydrophobicContact CE2-CB 4.07Å; Y464-L478 HydrophobicContact CE2-CD1 4.27Å; Y464-L478 HydrophobicContact CG-CD1 4.12Å; E476-L478 VanDerWaalsContact C-N 3.29Å; E476-L478 PolarHBondContact O-N 2.86Å; L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 2.96Å; L478-S481 PolarHBondContact O-N 3.11Å; L478-M482 HydrophobicContact CD1-CE 4.09Å; L478-M482 HydrophobicContact CD1-CG 4.45Å; L478-M482 WeakPolarHBondContact O-CG 3.44Å; L478-M482 PolarHBondContact O-N 2.71Å
479	W	94.3	Very high	84.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-35.7	-179.2	-54.4	138.6	0	0	0	112.5	W373 L448 N475 E476 S481 M482 A483 V517 K518 M521 T525	W373-W479 AromaticContact CH2-CH2 3.57Å; W373-W479 HydrophobicContact CH2-CH2 3.57Å; W373-W479 AromaticContact CH2-CZ2 3.61Å; W373-W479 HydrophobicContact CH2-CZ2 3.61Å; W373-W479 HydrophobicContact CZ2-CH2 4.21Å; W373-W479 AromaticContact CZ2-CZ2 3.78Å; W373-W479 HydrophobicContact CZ2-CZ2 3.78Å; L448-W479 HydrophobicContact CD2-CE3 4.33Å; L448-W479 HydrophobicContact CD2-CH2 4.44Å; L448-W479 HydrophobicContact CD2-CZ3 3.59Å; N475-W479 PolarHBondContact ND2-NE1 2.91Å; N475-W479 PolarHBondContact O-NE1 3.37Å; E476-W479 PolarHBondContact O-N 3.28Å; W479-S481 VanDerWaalsContact C-N 3.34Å; W479-M482 PolarHBondContact O-N 3.41Å; W479-A483 VanDerWaalsContact O-CB 3.24Å; W479-A483 WeakPolarHBondContact O-CB 3.11Å; W479-A483 PolarHBondContact O-N 3.01Å; W479-V517 HydrophobicContact CE3-CG1 4.01Å; W479-K518 HydrophobicContact CB-CB 4.09Å; W479-K518 HydrophobicContact CB-CG 4.27Å; W479-M521 HydrophobicContact CD2-CB 3.67Å; W479-M521 HydrophobicContact CD2-CG 4.2Å; W479-M521 VanDerWaalsContact CE2-CB 3.45Å; W479-M521 HydrophobicContact CE3-CB 3.82Å; W479-M521 HydrophobicContact CE3-CG 3.82Å; W479-M521 HydrophobicContact CG-CB 4.44Å; W479-M521 HydrophobicContact CH2-CB 3.63Å; W479-M521 HydrophobicContact CH2-CE 3.63Å; W479-M521 HydrophobicContact CH2-CG 3.81Å; W479-M521 HydrophobicContact CZ2-CB 3.45Å; W479-M521 VanDerWaalsContact CZ2-CB 3.45Å; W479-M521 HydrophobicContact CZ2-CE 4.27Å; W479-M521 HydrophobicContact CZ2-CG 4.17Å; W479-M521 HydrophobicContact CZ3-CB 3.82Å; W479-M521 HydrophobicContact CZ3-CE 4.16Å; W479-M521 HydrophobicContact CZ3-CG 3.63Å; W479-T525 HydrophobicContact CZ2-CG2 3.8Å
480	D	93.1	Very high	82	Confident	65 Å²	65	53.2 Å²	53.2	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-41	173.4	-75.8	-17.8	0	0	0	112	E476 L478 S484 K518	E476-D480 PolarHBondContact O-N 3.43Å; L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 2.96Å; D480-S484 WeakPolarHBondContact O-CB 3.28Å; D480-S484 PolarHBondContact O-N 3.25Å; D480-K518 WeakPolarHBondContact OD1-CE 3.18Å; D480-K518 IonicContact OD1-NZ 2.86Å; D480-K518 PolarHBondContact OD1-NZ 3.31Å; D480-K518 IonicContact OD2-NZ 3.23Å
481	S	93.3	Very high	78.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.007	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-44.9	177.1	-57.3	0	0	0	0	111.2	D477 L478 W479 S484	D477-S481 PolarHBondContact O-N 3.03Å; D477-S481 VanDerWaalsContact O-N 3.13Å; D477-S481 PolarHBondContact O-OG 3.17Å; L478-S481 PolarHBondContact O-N 3.11Å; W479-S481 VanDerWaalsContact C-N 3.34Å; S481-S484 PolarHBondContact O-N 3.08Å; S481-S484 PolarHBondContact O-OG 3.22Å
482	M	89.9	Confident	76.1	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.02	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-42.9	176.5	-69.1	-67.3	-173.2	0	0	112.9	F457 I461 L478 W479 S484 I485 V517	F457-M482 HydrophobicContact CD2-CE 3.78Å; F457-M482 HydrophobicContact CD2-SD 4.28Å; F457-M482 HydrophobicContact CE2-CE 3.59Å; F457-M482 HydrophobicContact CG-CE 4.38Å; F457-M482 HydrophobicContact CZ-CE 4.02Å; I461-M482 HydrophobicContact CD1-CE 3.28Å; I461-M482 HydrophobicContact CG1-CE 3.56Å; L478-M482 HydrophobicContact CD1-CE 4.09Å; L478-M482 HydrophobicContact CD1-CG 4.45Å; L478-M482 WeakPolarHBondContact O-CG 3.44Å; L478-M482 PolarHBondContact O-N 2.71Å; W479-M482 PolarHBondContact O-N 3.41Å; M482-S484 VanDerWaalsContact C-N 3.29Å; M482-S484 PolarHBondContact O-N 2.81Å; M482-I485 PolarHBondContact O-N 3.33Å; M482-V517 HydrophobicContact CB-CG1 4Å
483	A	86.8	Confident	73.1	Confident	33 Å²	33	61.4 Å²	61.4	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-30.6	179.4	0	0	0	0	0	112.4	W479 I485 C486	W479-A483 VanDerWaalsContact O-CB 3.24Å; W479-A483 WeakPolarHBondContact O-CB 3.11Å; W479-A483 PolarHBondContact O-N 3.01Å; A483-I485 PolarHBondContact O-N 3.22Å; A483-C486 CarbonylContact O-C 3.57Å; A483-C486 PolarHBondContact O-N 3.41Å; A483-C486 VanDerWaalsContact O-N 3.1Å
484	S	83.9	Confident	70.1	Confident	51 Å²	51	69.8 Å²	69.8	36%	0.357	41%	0.41	S	S	.	.	H	α-helix	trans	-67.1	-19.8	-178.3	73.5	0	0	0	0	114.7	Q463 D480 S481 M482 C486	Q463-S484 VanDerWaalsContact CD-OG 3.27Å; Q463-S484 PolarHBondContact NE2-OG 3.42Å; Q463-S484 PolarHBondContact OE1-OG 3.07Å; Q463-S484 VanDerWaalsContact OE1-OG 3.1Å; D480-S484 WeakPolarHBondContact O-CB 3.28Å; D480-S484 PolarHBondContact O-N 3.25Å; S481-S484 PolarHBondContact O-N 3.08Å; S481-S484 PolarHBondContact O-OG 3.22Å; M482-S484 VanDerWaalsContact C-N 3.29Å; M482-S484 PolarHBondContact O-N 2.81Å; S484-C486 VanDerWaalsContact C-N 3.29Å
485	I	78.9	Confident	67.2	Low	45 Å²	45	72.8 Å²	72.8	23%	0.231	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.2	175	-55.9	-59.3	0	0	0	111.7	A456 M482 A483 P487 C498	A456-I485 HydrophobicContact CB-CG2 3.87Å; M482-I485 PolarHBondContact O-N 3.33Å; A483-I485 PolarHBondContact O-N 3.22Å; I485-P487 WeakPolarHBondContact O-CD 3.34Å; I485-C498 PolarHBondContact O-SG 2.92Å
486	C	58.4	Low	64.5	Low	17 Å²	17	75.7 Å²	75.7	12%	0.115	46%	0.462	C	S	.	.	S	Bend	trans	-118.8	80.7	176	-76.5	0	0	0	0	111.7	A483 S484 T488 C498	A483-C486 CarbonylContact O-C 3.57Å; A483-C486 PolarHBondContact O-N 3.41Å; A483-C486 VanDerWaalsContact O-N 3.1Å; S484-C486 VanDerWaalsContact C-N 3.29Å; C486-T488 PolarHBondContact O-N 3.08Å; C486-C498 WeakPolarHBondContact CA-SG 3.34Å; C486-C498 HydrophobicContact CB-CB 3.59Å; C486-C498 WeakPolarHBondContact CB-SG 3.41Å; C486-C498 WeakPolarHBondContact SG-CB 3.4Å; C486-C498 CovalentContact SG-SG 2.05Å; C486-C498 PolarHBondContact SG-SG 2.91Å
487	P	47.1	Very low	62.2	Low	85 Å²	85	74.3 Å²	74.3	55%	0.552	46%	0.455	S	S	*	.			trans	-57.9	127.9	175.8	-20.1	31.2	0	0	0	111	I485 D489	I485-P487 WeakPolarHBondContact O-CD 3.34Å; P487-D489 PolarHBondContact O-N 3.44Å
488	T	44.8	Very low	59.5	Low	120 Å²	120	74.8 Å²	74.8	74%	0.736	46%	0.461	S	S	*	.	S	Bend	trans	-70.9	-15.4	169.7	46.7	0	0	0	0	112.5	C486	C486-T488 PolarHBondContact O-N 3.08Å
489	D	37.5	Very low	56.6	Low	122 Å²	122	79.2 Å²	79.2	65%	0.652	49%	0.492	S	S	*	.	S	Bend	trans	-95.6	124.5	179.3	-68.8	-27.7	0	0	0	110.6	P487 V491	P487-D489 PolarHBondContact O-N 3.44Å; D489-V491 PolarHBondContact O-N 3.32Å
490	G	38.3	Very low	53.9	Low	86 Å²	86	88.7 Å²	88.7	89%	0.887	53%	0.528	S	S	*	.			trans	-66.8	56.8	-169.4	0	0	0	0	0	116.7
491	V	34.8	Very low	51	Low	127 Å²	127	90 Å²	90	77%	0.77	54%	0.542	S	S	*	.			trans	-86.3	112	170.3	-175.2	0	0	0	0	108.6	D489 G493	D489-V491 PolarHBondContact O-N 3.32Å; V491-G493 PolarHBondContact O-N 2.95Å; V491-G493 VanDerWaalsContact O-N 3.07Å
492	K	39.8	Very low	48	Very low	212 Å²	212	96.8 Å²	96.8	92%	0.922	57%	0.573	S	S	*	*			trans	-63.2	103	172.9	-72.8	176.7	174.5	179.1	0	109.6
493	G	35.3	Very low	45.2	Very low	66 Å²	66	105.4 Å²	105.4	68%	0.68	61%	0.613	S	S	*	*			trans	-167.7	113.5	169.6	0	0	0	0	0	111.6	V491	V491-G493 PolarHBondContact O-N 2.95Å; V491-G493 VanDerWaalsContact O-N 3.07Å
494	M	34.1	Very low	42.4	Very low	177 Å²	177	108.5 Å²	108.5	87%	0.872	63%	0.633	S	S	*	*	S	Bend	trans	75.1	111	176.6	-110.6	81.6	113	0	0	118.5	G496	M494-G496 PolarHBondContact O-N 3.35Å
495	D	36.5	Very low	39.8	Very low	150 Å²	150	110.3 Å²	110.3	80%	0.802	65%	0.645	S	S	*	*	S	Bend	trans	36.2	76.2	148.5	-58.4	-11.8	0	0	0	117.9	F497	D495-F497 WeakPolarHBondContact O-CB 3.39Å; D495-F497 PolarHBondContact O-N 3.16Å
496	G	38.5	Very low	37.8	Very low	70 Å²	70	114.6 Å²	114.6	72%	0.722	68%	0.679	S	S	*	*	S	Bend	trans	62.6	-6.2	137.7	0	0	0	0	0	120.1	M494	M494-G496 PolarHBondContact O-N 3.35Å
497	F	47.1	Very low	36.5	Very low	88 Å²	88	119 Å²	119	39%	0.386	71%	0.71	S	S	.	*	S	Bend	trans	-89.8	-40.5	-161.4	-165.2	-82.1	0	0	0	113.5	L452 S453 D455 A456 D495	L452-F497 WeakPolarHBondContact O-CE1 3.48Å; L452-F497 WeakPolarHBondContact O-CZ 3.38Å; S453-F497 WeakPolarHBondContact OG-CE2 3.31Å; S453-F497 WeakPolarHBondContact OG-CZ 3.49Å; D455-F497 HydrophobicContact CB-CE2 4.45Å; A456-F497 HydrophobicContact CB-CD1 3.76Å; A456-F497 HydrophobicContact CB-CE1 2.99Å; A456-F497 HydrophobicContact CB-CE2 4.3Å; A456-F497 HydrophobicContact CB-CZ 3.23Å; D495-F497 WeakPolarHBondContact O-CB 3.39Å; D495-F497 PolarHBondContact O-N 3.16Å
498	C	40.3	Very low	35.9	Very low	51 Å²	51	117.5 Å²	117.5	35%	0.345	70%	0.702	S	S	.	*	S	Bend	trans	-106.3	13.3	177.6	-50.7	0	0	0	0	112	I485 C486	I485-C498 PolarHBondContact O-SG 2.92Å; C486-C498 WeakPolarHBondContact CA-SG 3.34Å; C486-C498 HydrophobicContact CB-CB 3.59Å; C486-C498 WeakPolarHBondContact CB-SG 3.41Å; C486-C498 WeakPolarHBondContact SG-CB 3.4Å; C486-C498 CovalentContact SG-SG 2.05Å; C486-C498 PolarHBondContact SG-SG 2.91Å
499	S	35.8	Very low	35.5	Very low	93 Å²	93	119.9 Å²	119.9	65%	0.65	70%	0.704	S	S	*	*			trans	-86.5	127.8	-175.6	-148	0	0	0	0	111.6	S501	S499-S501 PolarHBondContact O-N 2.99Å
500	R	38.3	Very low	35.5	Very low	200 Å²	200	116.8 Å²	116.8	76%	0.755	68%	0.683	S	S	*	*			trans	-55	108.7	164.8	-153.6	175.3	105.4	162.1	6.8	107.4	Q502	R500-Q502 PolarHBondContact O-N 3.33Å
501	S	30.8	Very low	35.5	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	67%	0.668	S	S	*	*			trans	-65.7	83.3	176.5	50.8	0	0	0	0	110.3	S499 H503	S499-S501 PolarHBondContact O-N 2.99Å; S501-H503 PolarHBondContact O-N 2.86Å
502	Q	31.3	Very low	35.8	Very low	144 Å²	144	119 Å²	119	67%	0.673	66%	0.662	S	S	*	*			trans	-74.6	77.8	161	-73.7	-171.1	-6.1	0	0	107.1	R500	R500-Q502 PolarHBondContact O-N 3.33Å
503	H	30.4	Very low	36	Very low	185 Å²	185	115.5 Å²	115.5	86%	0.856	65%	0.649	S	S	*	*			trans	169.2	96	150	-84.6	-46.2	0	0	0	109.5	S501	S501-H503 PolarHBondContact O-N 2.86Å
504	S	28.5	Very low	36.7	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	65%	0.649	S	S	*	*	S	Bend	trans	175	113.3	140	178.1	0	0	0	0	111.6
505	S	29.3	Very low	38.2	Very low	89 Å²	89	108.7 Å²	108.7	62%	0.622	62%	0.617	S	S	*	*			trans	23.3	108.9	158.4	61.6	0	0	0	0	121.3	S507	S505-S507 PolarHBondContact O-N 3.41Å
506	S	36.6	Very low	40.4	Very low	135 Å²	135	105.6 Å²	105.6	94%	0.944	60%	0.601	S	S	*	*	S	Bend	trans	-20.6	63.3	149.7	178.1	0	0	0	0	120.2
507	S	31.7	Very low	42.9	Very low	109 Å²	109	102.3 Å²	102.3	76%	0.762	57%	0.567	S	S	*	*			trans	-151.8	8	165.7	48.9	0	0	0	0	118.2	S505	S505-S507 PolarHBondContact O-N 3.41Å
508	S	34.2	Very low	45	Very low	55 Å²	55	101 Å²	101	39%	0.385	56%	0.561	S	S	.	*			trans	-136.9	114.5	176.1	42.9	0	0	0	0	111.1	W510 H511	S508-W510 PolarHBondContact O-N 2.63Å; S508-H511 PolarHBondContact O-CD2 3.45Å
509	H	36	Very low	47.5	Very low	169 Å²	169	101.4 Å²	101.4	78%	0.782	56%	0.562	S	S	*	*	S	Bend	trans	-70.6	22.3	177.8	-75.5	-77.8	0	0	0	114.3
510	W	38.4	Very low	50.4	Low	57 Å²	57	97.1 Å²	97.1	22%	0.216	53%	0.531	C	S	.	.			trans	-104.7	27.7	-170.3	-59.2	101.9	0	0	0	113.5	S508 F569 F580 S590	S508-W510 PolarHBondContact O-N 2.63Å; W510-F569 HydrophobicContact CH2-CE1 4.12Å; W510-F569 AromaticContact CH2-CZ 3.88Å; W510-F569 HydrophobicContact CH2-CZ 3.88Å; W510-F569 HydrophobicContact CZ2-CZ 4.22Å; W510-F569 AromaticContact CZ3-CE1 3.95Å; W510-F569 HydrophobicContact CZ3-CE1 3.95Å; W510-F569 HydrophobicContact CZ3-CZ 4.06Å; W510-F580 HydrophobicContact CE3-CB 3.91Å; W510-F580 AromaticContact CE3-CD2 3.44Å; W510-F580 HydrophobicContact CE3-CD2 3.44Å; W510-F580 VanDerWaalsContact CE3-CD2 3.44Å; W510-F580 HydrophobicContact CE3-CE2 4.34Å; W510-F580 HydrophobicContact CE3-CG 4.05Å; W510-F580 HydrophobicContact CH2-CD2 4.38Å; W510-F580 HydrophobicContact CZ3-CB 3.61Å; W510-F580 AromaticContact CZ3-CD2 3.24Å; W510-F580 HydrophobicContact CZ3-CD2 3.24Å; W510-F580 HydrophobicContact CZ3-CE2 4.05Å; W510-F580 AromaticContact CZ3-CG 3.59Å; W510-F580 HydrophobicContact CZ3-CG 3.59Å; W510-S590 WeakPolarHBondContact CZ2-O 3.32Å; W510-S590 PolarHBondContact NE1-O 3.1Å
511	H	38.8	Very low	53.1	Low	121 Å²	121	87.6 Å²	87.6	56%	0.56	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-96.5	133.8	-177.8	-70.6	-64.8	0	0	0	113.1	S508 E513	S508-H511 PolarHBondContact O-CD2 3.45Å; H511-E513 PolarHBondContact O-N 3.39Å
512	Q	40.8	Very low	56.3	Low	138 Å²	138	85.2 Å²	85.2	65%	0.645	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-60.9	119.2	-178.7	-77.2	166.6	-48.5	0	0	112.2
513	E	43.6	Very low	59.4	Low	140 Å²	140	79.3 Å²	79.3	65%	0.654	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-72.9	155.2	154.7	-73.1	179.9	156.1	0	0	109.3	H511 K583	H511-E513 PolarHBondContact O-N 3.39Å; E513-K583 IonicContact OE2-NZ 2.67Å; E513-K583 PolarHBondContact OE2-NZ 3.29Å
514	G	50.7	Low	62.7	Low	65 Å²	65	71.5 Å²	71.5	67%	0.67	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-47.3	150	-170.5	0	0	0	0	0	115.7	D516	G514-D516 PolarHBondContact O-N 3.43Å
515	V	64.4	Low	66	Low	35 Å²	35	66.9 Å²	66.9	21%	0.212	38%	0.38	C	S	.	.			trans	-81.4	100.4	-173.7	-175.3	0	0	0	0	109.9	Y451 L452 V517	Y451-V515 HydrophobicContact CE1-CG1 4.07Å; L452-V515 HydrophobicContact CD2-CG1 3.63Å; V515-V517 HydrophobicContact CG1-CG2 3.5Å; V515-V517 VanDerWaalsContact CG1-CG2 3.5Å
516	D	84	Confident	69.2	Low	84 Å²	84	67.3 Å²	67.3	45%	0.449	38%	0.375	S	S	.	.			trans	-97.9	81.7	166.9	-172	-11.2	0	0	0	109.6	G514 K518 T519 M520	G514-D516 PolarHBondContact O-N 3.43Å; D516-K518 VanDerWaalsContact C-N 3.28Å; D516-K518 PolarHBondContact O-N 2.95Å; D516-K518 PolarHBondContact OD1-N 2.78Å; D516-T519 WeakPolarHBondContact OD1-CB 3.48Å; D516-T519 PolarHBondContact OD1-N 2.91Å; D516-T519 PolarHBondContact OD1-OG1 2.95Å; D516-T519 WeakPolarHBondContact OD2-CB 3.47Å; D516-T519 PolarHBondContact OD2-OG1 2.99Å; D516-M520 WeakPolarHBondContact O-CB 3.2Å; D516-M520 PolarHBondContact O-N 3.05Å; D516-M520 VanDerWaalsContact O-N 3.08Å
517	V	89.6	Confident	72	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-58.3	-43.6	179.6	-178.6	0	0	0	0	110.4	L448 L452 W479 M482 V515 M520 M521	L448-V517 HydrophobicContact CD1-CG1 4.06Å; L448-V517 HydrophobicContact CD2-CG1 4.27Å; L452-V517 HydrophobicContact CD1-CG2 4.29Å; L452-V517 HydrophobicContact CD2-CG2 4.08Å; W479-V517 HydrophobicContact CE3-CG1 4.01Å; M482-V517 HydrophobicContact CB-CG1 4Å; V515-V517 HydrophobicContact CG1-CG2 3.5Å; V515-V517 VanDerWaalsContact CG1-CG2 3.5Å; V517-M520 PolarHBondContact O-N 3.3Å; V517-M521 HydrophobicContact CG1-CG 3.86Å; V517-M521 WeakPolarHBondContact O-CB 3.3Å; V517-M521 VanDerWaalsContact O-CG 3.31Å; V517-M521 WeakPolarHBondContact O-CG 3.44Å; V517-M521 PolarHBondContact O-N 2.87Å
518	K	91.9	Very high	75	Confident	59 Å²	59	58.9 Å²	58.9	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-53.1	-176.2	-178.4	176.3	-67.1	-165.1	0	111	W479 D480 D516 M520 M521 N522	W479-K518 HydrophobicContact CB-CB 4.09Å; W479-K518 HydrophobicContact CB-CG 4.27Å; D480-K518 WeakPolarHBondContact OD1-CE 3.18Å; D480-K518 IonicContact OD1-NZ 2.86Å; D480-K518 PolarHBondContact OD1-NZ 3.31Å; D480-K518 IonicContact OD2-NZ 3.23Å; D516-K518 VanDerWaalsContact C-N 3.28Å; D516-K518 PolarHBondContact O-N 2.95Å; D516-K518 PolarHBondContact OD1-N 2.78Å; K518-M520 VanDerWaalsContact C-N 3.3Å; K518-M520 PolarHBondContact O-N 3Å; K518-M521 PolarHBondContact O-N 3.5Å; K518-N522 VanDerWaalsContact O-CB 3.3Å; K518-N522 WeakPolarHBondContact O-CB 3.31Å; K518-N522 PolarHBondContact O-N 2.93Å; K518-N522 PolarHBondContact O-ND2 3.07Å
519	T	93.6	Very high	77.9	Confident	61 Å²	61	56.3 Å²	56.3	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-41.2	179.2	-60.9	0	0	0	0	111.1	D516 T523 H564	D516-T519 WeakPolarHBondContact OD1-CB 3.48Å; D516-T519 PolarHBondContact OD1-N 2.91Å; D516-T519 PolarHBondContact OD1-OG1 2.95Å; D516-T519 WeakPolarHBondContact OD2-CB 3.47Å; D516-T519 PolarHBondContact OD2-OG1 2.99Å; T519-T523 WeakPolarHBondContact O-CG2 3.36Å; T519-H564 VanDerWaalsContact CG2-CE1 3.48Å; T519-H564 WeakPolarHBondContact CG2-CE1 3.3Å
520	M	94.9	Very high	80.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-54.4	176.7	169.4	172.3	162.9	0	0	112.1	M447 Y451 D516 V517 K518 N522 T523 W524 H564 P566 L581	M447-M520 HydrophobicContact CE-CE 4.19Å; Y451-M520 HydrophobicContact CD1-CE 4.24Å; Y451-M520 HydrophobicContact CD1-SD 4Å; Y451-M520 HydrophobicContact CE1-SD 3.95Å; Y451-M520 HydrophobicContact CG-CE 4.41Å; D516-M520 WeakPolarHBondContact O-CB 3.2Å; D516-M520 PolarHBondContact O-N 3.05Å; D516-M520 VanDerWaalsContact O-N 3.08Å; V517-M520 PolarHBondContact O-N 3.3Å; K518-M520 VanDerWaalsContact C-N 3.3Å; K518-M520 PolarHBondContact O-N 3Å; M520-N522 PolarHBondContact O-N 3.27Å; M520-T523 WeakPolarHBondContact O-CB 3.39Å; M520-T523 PolarHBondContact O-N 3.09Å; M520-T523 VanDerWaalsContact O-N 3.1Å; M520-T523 PolarHBondContact O-OG1 2.99Å; M520-W524 VanDerWaalsContact O-CD1 3.24Å; M520-H564 HydrophobicContact CB-CB 3.78Å; M520-H564 HydrophobicContact CG-CB 3.73Å; M520-P566 HydrophobicContact CE-CB 4.18Å; M520-P566 HydrophobicContact CE-CG 3.62Å; M520-L581 HydrophobicContact SD-CD1 4.19Å
521	M	96.6	Very high	83.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-74	-26.4	-172	-63	-52.6	-62.1	0	0	113.1	I444 L448 W479 V517 K518 T523 W524 T525	I444-M521 HydrophobicContact CB-CE 4.11Å; I444-M521 HydrophobicContact CD1-CE 4.24Å; I444-M521 HydrophobicContact CG1-CE 4.27Å; L448-M521 HydrophobicContact CB-CE 4.26Å; L448-M521 HydrophobicContact CB-SD 4.11Å; L448-M521 HydrophobicContact CD1-CG 4.17Å; L448-M521 HydrophobicContact CD1-SD 3.9Å; L448-M521 HydrophobicContact CD2-CE 4.27Å; L448-M521 HydrophobicContact CD2-CG 4.05Å; L448-M521 HydrophobicContact CD2-SD 4.12Å; L448-M521 HydrophobicContact CG-SD 4.27Å; W479-M521 HydrophobicContact CD2-CB 3.67Å; W479-M521 HydrophobicContact CD2-CG 4.2Å; W479-M521 VanDerWaalsContact CE2-CB 3.45Å; W479-M521 HydrophobicContact CE3-CB 3.82Å; W479-M521 HydrophobicContact CE3-CG 3.82Å; W479-M521 HydrophobicContact CG-CB 4.44Å; W479-M521 HydrophobicContact CH2-CB 3.63Å; W479-M521 HydrophobicContact CH2-CE 3.63Å; W479-M521 HydrophobicContact CH2-CG 3.81Å; W479-M521 HydrophobicContact CZ2-CB 3.45Å; W479-M521 VanDerWaalsContact CZ2-CB 3.45Å; W479-M521 HydrophobicContact CZ2-CE 4.27Å; W479-M521 HydrophobicContact CZ2-CG 4.17Å; W479-M521 HydrophobicContact CZ3-CB 3.82Å; W479-M521 HydrophobicContact CZ3-CE 4.16Å; W479-M521 HydrophobicContact CZ3-CG 3.63Å; V517-M521 HydrophobicContact CG1-CG 3.86Å; V517-M521 WeakPolarHBondContact O-CB 3.3Å; V517-M521 VanDerWaalsContact O-CG 3.31Å; V517-M521 WeakPolarHBondContact O-CG 3.44Å; V517-M521 PolarHBondContact O-N 2.87Å; K518-M521 PolarHBondContact O-N 3.5Å; M521-T523 PolarHBondContact O-N 2.69Å; M521-W524 HydrophobicContact CE-CB 4.33Å; M521-W524 CarbonylContact O-C 3.48Å; M521-W524 WeakPolarHBondContact O-CA 3.33Å; M521-W524 PolarHBondContact O-N 3.08Å; M521-T525 PolarHBondContact O-N 3.38Å; M521-T525 PolarHBondContact O-OG1 2.78Å
522	N	97.1	Very high	86.3	Confident	42 Å²	42	45.5 Å²	45.5	23%	0.225	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-35.3	168.4	-78.5	-13.1	0	0	0	112.1	K518 M520 W524 T525 L526	K518-N522 VanDerWaalsContact O-CB 3.3Å; K518-N522 WeakPolarHBondContact O-CB 3.31Å; K518-N522 PolarHBondContact O-N 2.93Å; K518-N522 PolarHBondContact O-ND2 3.07Å; M520-N522 PolarHBondContact O-N 3.27Å; N522-W524 PolarHBondContact O-N 3.01Å; N522-T525 PolarHBondContact O-N 3.45Å; N522-L526 HydrophobicContact CB-CD1 4.07Å; N522-L526 WeakPolarHBondContact O-CB 3.42Å; N522-L526 PolarHBondContact O-N 3.1Å
523	T	97.1	Very high	88.8	Confident	21 Å²	21	41 Å²	41	13%	0.129	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-15.4	173.2	72	0	0	0	0	113.3	T519 M520 M521 Q527 W563 H564	T519-T523 WeakPolarHBondContact O-CG2 3.36Å; M520-T523 WeakPolarHBondContact O-CB 3.39Å; M520-T523 PolarHBondContact O-N 3.09Å; M520-T523 VanDerWaalsContact O-N 3.1Å; M520-T523 PolarHBondContact O-OG1 2.99Å; M521-T523 PolarHBondContact O-N 2.69Å; T523-Q527 WeakPolarHBondContact O-CG 3.44Å; T523-Q527 PolarHBondContact O-NE2 3.34Å; T523-W563 PolarHBondContact O-NE1 3.23Å; T523-H564 PolarHBondContact OG1-N 2.7Å
524	W	98.1	Very high	91.2	Very high	20 Å²	20	36.9 Å²	36.9	8%	0.076	21%	0.21	C	C	.	.	H	α-helix	trans	-99.1	-26.6	177.8	-69.4	102.1	0	0	0	112.8	I444 M447 M520 M521 N522 P531 W563 H564 V565	I444-W524 HydrophobicContact CD1-CB 4.32Å; I444-W524 HydrophobicContact CG2-CB 4.21Å; I444-W524 HydrophobicContact CG2-CD2 4.44Å; I444-W524 HydrophobicContact CG2-CE3 4.04Å; M447-W524 HydrophobicContact CE-CD2 3.6Å; M447-W524 HydrophobicContact CE-CE3 4.22Å; M447-W524 HydrophobicContact CE-CG 3.84Å; M447-W524 HydrophobicContact CE-CH2 4.38Å; M447-W524 HydrophobicContact CE-CZ2 3.8Å; M447-W524 HydrophobicContact SD-CH2 4.16Å; M447-W524 HydrophobicContact SD-CZ2 3.78Å; M520-W524 VanDerWaalsContact O-CD1 3.24Å; M521-W524 HydrophobicContact CE-CB 4.33Å; M521-W524 CarbonylContact O-C 3.48Å; M521-W524 WeakPolarHBondContact O-CA 3.33Å; M521-W524 PolarHBondContact O-N 3.08Å; N522-W524 PolarHBondContact O-N 3.01Å; W524-P531 HydrophobicContact CH2-CG 3.94Å; W524-W563 AromaticContact CD2-CD1 3.6Å; W524-W563 AromaticContact CE2-CD1 3.75Å; W524-W563 AromaticContact CE3-CD1 3.67Å; W524-W563 AromaticContact CE3-NE1 3.99Å; W524-W563 HydrophobicContact CH2-CG 4.47Å; W524-W563 HydrophobicContact CZ2-CB 4.09Å; W524-W563 AromaticContact CZ2-CD1 4Å; W524-W563 HydrophobicContact CZ2-CG 4.31Å; W524-W563 AromaticContact CZ3-CD1 3.92Å; W524-H564 PolarHBondContact NE1-O 2.85Å; W524-V565 HydrophobicContact CZ2-CB 4.43Å; W524-V565 HydrophobicContact CZ2-CG1 4.28Å; W524-V565 HydrophobicContact CZ2-CG2 4.06Å
525	T	97.9	Very high	93.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-99.5	-31.2	-177.8	60.9	0	0	0	0	114.6	W373 P418 V419 S420 I444 N475 W479 M521 N522	W373-T525 HydrophobicContact CH2-CG2 4.34Å; W373-T525 HydrophobicContact CZ2-CG2 3.95Å; P418-T525 WeakPolarHBondContact CB-O 3.32Å; V419-T525 PolarHBondContact N-O 2.85Å; V419-T525 VanDerWaalsContact N-O 3.09Å; S420-T525 PolarHBondContact N-O 2.71Å; I444-T525 HydrophobicContact CD1-CG2 3.8Å; N475-T525 PolarHBondContact ND2-OG1 3.32Å; W479-T525 HydrophobicContact CZ2-CG2 3.8Å; M521-T525 PolarHBondContact O-N 3.38Å; M521-T525 PolarHBondContact O-OG1 2.78Å; N522-T525 PolarHBondContact O-N 3.45Å
526	L	97.3	Very high	94.5	Very high	98 Å²	98	38.8 Å²	38.8	51%	0.513	21%	0.205	S	C	.	.	S	Bend	trans	-99.5	-1.6	-171.5	-56.4	-179.5	0	0	0	114.3	N522	N522-L526 HydrophobicContact CB-CD1 4.07Å; N522-L526 WeakPolarHBondContact O-CB 3.42Å; N522-L526 PolarHBondContact O-N 3.1Å
527	Q	95.1	Very high	94.7	Very high	32 Å²	32	38.2 Å²	38.2	15%	0.15	21%	0.205	C	C	.	.	S	Bend	trans	-127.8	143.9	172	60.6	-167.9	24.7	0	0	110.5	T523 Y561 L562 W563	T523-Q527 WeakPolarHBondContact O-CG 3.44Å; T523-Q527 PolarHBondContact O-NE2 3.34Å; Q527-Y561 HydrophobicContact CB-CE2 4.4Å; Q527-L562 PolarHBondContact NE2-O 2.82Å; Q527-W563 HydrophobicContact CG-CZ2 4.18Å; Q527-W563 VanDerWaalsContact NE2-CD1 3.25Å; Q527-W563 VanDerWaalsContact NE2-CG 3.32Å
528	K	94.9	Very high	94.5	Very high	36 Å²	36	46.7 Å²	46.7	16%	0.157	24%	0.236	C	C	.	.			trans	-78.5	163.1	177.6	69.5	-179.8	-176.7	-178.7	0	111.4	N414 S416 H417 P418 Y561	N414-K528 PolarHBondContact O-NZ 3.02Å; N414-K528 PolarHBondContact OD1-NZ 3.02Å; S416-K528 VanDerWaalsContact O-CD 3.26Å; S416-K528 WeakPolarHBondContact O-CD 3.24Å; H417-K528 VanDerWaalsContact C-CB 3.49Å; P418-K528 HydrophobicContact CG-CB 4.44Å; K528-Y561 HydrophobicContact CG-CE2 4.06Å; K528-Y561 WeakPolarHBondContact O-CE2 2.94Å
529	G	95.3	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	73.7	-172.2	178.6	0	0	0	0	0	113.7	D411 K440	D411-G529 VanDerWaalsContact CG-CA 3.41Å; D411-G529 WeakPolarHBondContact O-CA 3.17Å; D411-G529 WeakPolarHBondContact OD1-CA 3.33Å; D411-G529 PolarHBondContact OD1-N 3.47Å; D411-G529 WeakPolarHBondContact OD2-CA 3.35Å; D411-G529 PolarHBondContact OD2-N 3.18Å; K440-G529 PolarHBondContact NZ-O 3.15Å
530	F	97	Very high	93.5	Very high	30 Å²	30	49.7 Å²	49.7	13%	0.132	25%	0.25	C	S	.	.			trans	-143.9	159.2	-178.4	58.9	-89.6	0	0	0	111.2	M408 D411 A412 Y549	M408-F530 HydrophobicContact CB-CE1 3.73Å; M408-F530 HydrophobicContact CB-CZ 3.81Å; M408-F530 HydrophobicContact CG-CD1 4.04Å; M408-F530 HydrophobicContact CG-CE1 3.65Å; M408-F530 HydrophobicContact CG-CE2 4.17Å; M408-F530 HydrophobicContact CG-CG 4.46Å; M408-F530 HydrophobicContact CG-CZ 3.71Å; M408-F530 HydrophobicContact SD-CE2 4.28Å; M408-F530 HydrophobicContact SD-CZ 4.27Å; D411-F530 HydrophobicContact CB-CD1 4.25Å; D411-F530 HydrophobicContact CB-CE1 4.44Å; A412-F530 HydrophobicContact CB-CE1 3.99Å; A412-F530 HydrophobicContact CB-CZ 4.16Å; F530-Y549 HydrophobicContact CE1-CD1 4.17Å; F530-Y549 AromaticContact CE2-CD1 3.61Å; F530-Y549 HydrophobicContact CE2-CD1 3.61Å; F530-Y549 HydrophobicContact CE2-CE1 4.42Å; F530-Y549 AromaticContact CE2-CG 3.87Å; F530-Y549 HydrophobicContact CE2-CG 3.87Å; F530-Y549 AromaticContact CZ-CD1 3.34Å; F530-Y549 HydrophobicContact CZ-CD1 3.34Å; F530-Y549 AromaticContact CZ-CE1 3.95Å; F530-Y549 HydrophobicContact CZ-CE1 3.95Å; F530-Y549 HydrophobicContact CZ-CG 4.09Å; F530-Y549 PolarHBondContact O-N 3.49Å
531	P	96.3	Very high	92.9	Very high	16 Å²	16	52.9 Å²	52.9	10%	0.104	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.9	-178.1	30.4	-32.3	0	0	0	112.9	W524 I533 Q546 E547 W563 V565	W524-P531 HydrophobicContact CH2-CG 3.94Å; P531-I533 HydrophobicContact CB-CD1 3.99Å; P531-I533 HydrophobicContact CG-CD1 4.29Å; P531-Q546 HydrophobicContact CB-CB 4.32Å; P531-E547 CarbonylContact C-O 3.58Å; P531-E547 VanDerWaalsContact CA-O 3.32Å; P531-E547 WeakPolarHBondContact CA-O 3.27Å; P531-W563 HydrophobicContact CB-CD2 4.14Å; P531-W563 HydrophobicContact CB-CE3 3.72Å; P531-W563 HydrophobicContact CB-CZ3 4.12Å; P531-W563 HydrophobicContact CG-CB 4.23Å; P531-W563 HydrophobicContact CG-CD2 4.04Å; P531-W563 HydrophobicContact CG-CE3 4.14Å; P531-W563 HydrophobicContact CG-CG 4.1Å; P531-V565 HydrophobicContact CB-CG2 4.49Å; P531-V565 HydrophobicContact CG-CG2 3.75Å
532	L	95.3	Very high	92.4	Very high	74 Å²	74	53.3 Å²	53.3	39%	0.387	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.8	156.9	175.9	63.5	0	0	0	109.3	Q546 E547 Y549	L532-Q546 WeakPolarHBondContact O-CA 3.15Å; L532-E547 HydrophobicContact CB-CG 4.16Å; L532-E547 HydrophobicContact CD2-CG 4.35Å; L532-E547 PolarHBondContact N-O 2.86Å; L532-E547 PolarHBondContact O-N 3.43Å; L532-Y549 HydrophobicContact CB-CD2 4.22Å; L532-Y549 HydrophobicContact CD2-CD2 4.47Å
533	I	95	Very high	92.1	Very high	44 Å²	44	54.7 Å²	54.7	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.9	177.1	-51.5	-59.9	0	0	0	110	P531 I535 K545 Q546 V565 L567 L582	P531-I533 HydrophobicContact CB-CD1 3.99Å; P531-I533 HydrophobicContact CG-CD1 4.29Å; I533-I535 HydrophobicContact CG2-CD1 3.71Å; I533-I535 HydrophobicContact CG2-CG1 4.36Å; I533-K545 CarbonylContact C-O 3.16Å; I533-K545 WeakPolarHBondContact CA-O 3.34Å; I533-Q546 HydrophobicContact CD1-CB 3.59Å; I533-V565 HydrophobicContact CD1-CG2 4.32Å; I533-L567 HydrophobicContact CG1-CD2 4.04Å; I533-L567 HydrophobicContact CG2-CD1 4.3Å; I533-L567 HydrophobicContact CG2-CD2 4.22Å; I533-L582 HydrophobicContact CD1-CD2 4.06Å
534	T	94.1	Very high	91.9	Very high	53 Å²	53	54 Å²	54	33%	0.325	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.2	174.4	-63.9	0	0	0	0	110.2	K545	T534-K545 PolarHBondContact N-O 2.89Å; T534-K545 PolarHBondContact O-N 3.49Å
535	I	91.8	Very high	91.7	Very high	77 Å²	77	56.6 Å²	56.6	40%	0.395	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.3	177.2	-55.1	-60.7	0	0	0	110	I533 V537 V542 H543 M544	I533-I535 HydrophobicContact CG2-CD1 3.71Å; I533-I535 HydrophobicContact CG2-CG1 4.36Å; I535-V537 HydrophobicContact CG2-CG2 4.08Å; I535-V542 HydrophobicContact CG2-CG1 3.79Å; I535-H543 WeakPolarHBondContact CA-O 3.18Å; I535-M544 HydrophobicContact CD1-CB 4.32Å; I535-M544 HydrophobicContact CD1-CG 3.6Å
536	T	91	Very high	91.6	Very high	63 Å²	63	56.6 Å²	56.6	39%	0.387	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.2	173.4	-59.1	0	0	0	0	110.4	R538 H543	T536-R538 HydrophobicContact CG2-CG 4.39Å; T536-H543 PolarHBondContact N-O 2.59Å; T536-H543 PolarHBondContact O-N 3.44Å
537	V	88.4	Confident	91.4	Very high	73 Å²	73	55 Å²	55	44%	0.442	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.7	-177.7	-174.3	0	0	0	0	110.4	I535 I598	I535-V537 HydrophobicContact CG2-CG2 4.08Å; V537-I598 HydrophobicContact CG1-CD1 4.49Å; V537-I598 HydrophobicContact CG2-CD1 4.03Å
538	R	86.4	Confident	91.3	Very high	179 Å²	179	54.7 Å²	54.7	68%	0.675	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	88.1	174.6	-65.8	-172	-179.1	-154.9	2	110.2	T536 R540 N541	T536-R538 HydrophobicContact CG2-CG 4.39Å; R538-R540 PolarHBondContact O-N 2.63Å; R538-N541 PolarHBondContact N-O 3.39Å; R538-N541 WeakPolarHBondContact O-CB 3.26Å; R538-N541 PolarHBondContact O-N 3.01Å
539	G	83	Confident	91.3	Very high	35 Å²	35	57.2 Å²	57.2	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-102.1	-178.5	0	0	0	0	0	112.2
540	R	79.8	Confident	91	Very high	149 Å²	149	59 Å²	59	56%	0.562	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-14.9	173.8	-69.6	-168.1	-61.6	172.2	1.1	113	R538 C591 K594	R538-R540 PolarHBondContact O-N 2.63Å; R540-C591 WeakPolarHBondContact CB-O 3.44Å; R540-C591 WeakPolarHBondContact CD-O 3.39Å; R540-C591 PolarHBondContact O-N 2.67Å; R540-K594 HydrophobicContact CG-CG 4.5Å
541	N	83.3	Confident	90.5	Very high	68 Å²	68	62.3 Å²	62.3	36%	0.364	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.6	-174.6	-66.8	-3.7	0	0	0	109.2	R538 L588	R538-N541 PolarHBondContact N-O 3.39Å; R538-N541 WeakPolarHBondContact O-CB 3.26Å; R538-N541 PolarHBondContact O-N 3.01Å; N541-L588 HydrophobicContact CB-CD1 3.95Å
542	V	86.9	Confident	89.4	Confident	10 Å²	10	65.7 Å²	65.7	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	104.2	177.8	-175.2	0	0	0	0	106.7	I535 M544 G589 I598	I535-V542 HydrophobicContact CG2-CG1 3.79Å; V542-M544 HydrophobicContact CG1-CG 4.46Å; V542-G589 PolarHBondContact N-O 2.95Å; V542-G589 PolarHBondContact O-N 3.01Å; V542-I598 HydrophobicContact CG1-CD1 4.38Å; V542-I598 HydrophobicContact CG2-CD1 3.48Å; V542-I598 VanDerWaalsContact CG2-CD1 3.48Å
543	H	89.9	Confident	87.9	Confident	71 Å²	71	64.3 Å²	64.3	33%	0.329	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.9	175.4	-65.8	-104.5	0	0	0	108.6	I535 T536 L588	I535-H543 WeakPolarHBondContact CA-O 3.18Å; T536-H543 PolarHBondContact N-O 2.59Å; T536-H543 PolarHBondContact O-N 3.44Å; H543-L588 WeakPolarHBondContact CE1-CD1 3.46Å; H543-L588 WeakPolarHBondContact NE2-CD1 3.45Å
544	M	93.1	Very high	86.1	Confident	7 Å²	7	70.9 Å²	70.9	3%	0.034	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.8	178.3	-67.2	164.2	-82.8	0	0	108.1	I535 V542 L567 F580 L582 T586 A587	I535-M544 HydrophobicContact CD1-CB 4.32Å; I535-M544 HydrophobicContact CD1-CG 3.6Å; V542-M544 HydrophobicContact CG1-CG 4.46Å; M544-L567 HydrophobicContact CG-CD1 4.38Å; M544-L567 HydrophobicContact SD-CD1 3.76Å; M544-F580 HydrophobicContact CE-CD1 3.86Å; M544-F580 HydrophobicContact CE-CE1 3.55Å; M544-F580 HydrophobicContact CE-CE2 4.29Å; M544-F580 HydrophobicContact CE-CG 4.36Å; M544-F580 HydrophobicContact CE-CZ 3.78Å; M544-F580 HydrophobicContact SD-CD1 3.61Å; M544-F580 HydrophobicContact SD-CE1 3.72Å; M544-F580 HydrophobicContact SD-CG 4.35Å; M544-L582 HydrophobicContact CB-CD1 4.37Å; M544-L582 HydrophobicContact CB-CD2 4.48Å; M544-T586 CarbonylContact O-C 3.53Å; M544-T586 WeakPolarHBondContact O-CA 3.47Å; M544-A587 HydrophobicContact CE-CB 4.35Å; M544-A587 PolarHBondContact N-O 2.7Å; M544-A587 PolarHBondContact O-N 2.89Å
545	K	94	Very high	84.2	Confident	73 Å²	73	72 Å²	72	32%	0.317	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.3	172.8	177.1	-171.5	170	-133.3	0	108.4	I533 T534 E547 K585 T586	I533-K545 CarbonylContact C-O 3.16Å; I533-K545 WeakPolarHBondContact CA-O 3.34Å; T534-K545 PolarHBondContact N-O 2.89Å; T534-K545 PolarHBondContact O-N 3.49Å; K545-E547 IonicContact NZ-OE1 2.85Å; K545-E547 PolarHBondContact NZ-OE1 2.98Å; K545-E547 IonicContact NZ-OE2 2.69Å; K545-E547 PolarHBondContact NZ-OE2 2.93Å; K545-K585 WeakPolarHBondContact CA-O 3.49Å; K545-T586 HydrophobicContact CB-CG2 4.09Å; K545-T586 HydrophobicContact CG-CG2 4.01Å
546	Q	95.1	Very high	82.5	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.7	169.3	62.3	173.3	-58.9	0	0	110.9	P531 L532 I533 L562 W563 L582 T584 K585	P531-Q546 HydrophobicContact CB-CB 4.32Å; L532-Q546 WeakPolarHBondContact O-CA 3.15Å; I533-Q546 HydrophobicContact CD1-CB 3.59Å; Q546-L562 HydrophobicContact CG-CD2 4.04Å; Q546-W563 PolarHBondContact NE2-O 3.26Å; Q546-W563 PolarHBondContact OE1-O 2.97Å; Q546-L582 HydrophobicContact CB-CD2 3.88Å; Q546-L582 HydrophobicContact CG-CD2 4.08Å; Q546-T584 PolarHBondContact NE2-O 2.82Å; Q546-K585 PolarHBondContact N-O 2.89Å
547	E	93.6	Very high	81	Confident	65 Å²	65	72.7 Å²	72.7	30%	0.304	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.1	169.5	61.8	-156.9	126.5	0	0	110	P531 L532 K545 Y549	P531-E547 CarbonylContact C-O 3.58Å; P531-E547 VanDerWaalsContact CA-O 3.32Å; P531-E547 WeakPolarHBondContact CA-O 3.27Å; L532-E547 HydrophobicContact CB-CG 4.16Å; L532-E547 HydrophobicContact CD2-CG 4.35Å; L532-E547 PolarHBondContact N-O 2.86Å; L532-E547 PolarHBondContact O-N 3.43Å; K545-E547 IonicContact NZ-OE1 2.85Å; K545-E547 PolarHBondContact NZ-OE1 2.98Å; K545-E547 IonicContact NZ-OE2 2.69Å; K545-E547 PolarHBondContact NZ-OE2 2.93Å; E547-Y549 PolarHBondContact O-N 2.82Å
548	H	94.1	Very high	80.1	Confident	25 Å²	25	74.5 Å²	74.5	12%	0.116	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	123.7	178.3	179.2	-158.5	0	0	0	110.5	T559 Y561 W563	H548-T559 PolarHBondContact ND1-OG1 2.9Å; H548-Y561 HydrophobicContact CB-CD2 4.41Å; H548-Y561 AromaticContact CE1-CD2 3.86Å; H548-Y561 AromaticContact CE1-CE2 3.8Å; H548-Y561 AromaticContact CG-CD2 3.88Å; H548-Y561 AromaticContact ND1-CD2 3.6Å; H548-Y561 AromaticContact ND1-CE2 3.91Å; H548-W563 HydrophobicContact CB-CH2 3.87Å; H548-W563 HydrophobicContact CB-CZ3 4.07Å; H548-W563 AromaticContact CD2-CH2 3.75Å; H548-W563 AromaticContact CG-CH2 3.9Å
549	Y	93.2	Very high	79.8	Confident	89 Å²	89	68.7 Å²	68.7	35%	0.349	40%	0.401	S	S	.	.			trans	-79.8	124.7	174.7	-177.1	-99.2	0	0	0	110.5	A412 F530 L532 E547	A412-Y549 HydrophobicContact CB-CD1 3.72Å; A412-Y549 HydrophobicContact CB-CE1 3.61Å; F530-Y549 HydrophobicContact CE1-CD1 4.17Å; F530-Y549 AromaticContact CE2-CD1 3.61Å; F530-Y549 HydrophobicContact CE2-CD1 3.61Å; F530-Y549 HydrophobicContact CE2-CE1 4.42Å; F530-Y549 AromaticContact CE2-CG 3.87Å; F530-Y549 HydrophobicContact CE2-CG 3.87Å; F530-Y549 AromaticContact CZ-CD1 3.34Å; F530-Y549 HydrophobicContact CZ-CD1 3.34Å; F530-Y549 AromaticContact CZ-CE1 3.95Å; F530-Y549 HydrophobicContact CZ-CE1 3.95Å; F530-Y549 HydrophobicContact CZ-CG 4.09Å; F530-Y549 PolarHBondContact O-N 3.49Å; L532-Y549 HydrophobicContact CB-CD2 4.22Å; L532-Y549 HydrophobicContact CD2-CD2 4.47Å; E547-Y549 PolarHBondContact O-N 2.82Å
550	M	89.1	Confident	79.9	Confident	38 Å²	38	69.5 Å²	69.5	19%	0.187	41%	0.409	C	S	.	.			trans	-134	130.4	173.2	-75.6	-174	-69.8	0	0	110.3	A412 S553 A556 T559	A412-M550 WeakPolarHBondContact O-CA 3.48Å; M550-S553 WeakPolarHBondContact CB-OG 3.34Å; M550-A556 HydrophobicContact CE-CB 3.62Å; M550-T559 HydrophobicContact CE-CG2 4.09Å
551	K	86.6	Confident	80.5	Confident	99 Å²	99	65.6 Å²	65.6	43%	0.43	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	132.4	-178.9	-165.7	171.4	-175.6	170.4	0	110.4	E409 A412 L413 S553	E409-K551 IonicContact OE1-NZ 2.73Å; E409-K551 PolarHBondContact OE1-NZ 3.42Å; E409-K551 IonicContact OE2-NZ 2.64Å; E409-K551 PolarHBondContact OE2-NZ 3.43Å; A412-K551 HydrophobicContact CB-CB 4.11Å; A412-K551 PolarHBondContact O-N 2.99Å; L413-K551 HydrophobicContact CD2-CB 4.43Å; L413-K551 HydrophobicContact CD2-CD 4.48Å; K551-S553 VanDerWaalsContact C-N 3.33Å; K551-S553 PolarHBondContact O-N 3.21Å
552	G	74.6	Confident	81.1	Confident	87 Å²	87	65.7 Å²	65.7	90%	0.897	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	11.1	173.5	0	0	0	0	0	115.8
553	S	63.6	Low	81.5	Confident	45 Å²	45	65.2 Å²	65.2	32%	0.315	39%	0.392	S	S	.	.			trans	-112.4	75.5	177.7	77.3	0	0	0	0	112.9	M550 K551 G555 A556	M550-S553 WeakPolarHBondContact CB-OG 3.34Å; K551-S553 VanDerWaalsContact C-N 3.33Å; K551-S553 PolarHBondContact O-N 3.21Å; S553-G555 VanDerWaalsContact C-N 3.34Å; S553-G555 PolarHBondContact O-N 3.03Å; S553-A556 VanDerWaalsContact CB-CB 3.45Å; S553-A556 VanDerWaalsContact OG-CB 3.32Å; S553-A556 WeakPolarHBondContact OG-CB 3.46Å
554	D	55.7	Low	81.8	Confident	182 Å²	182	63.5 Å²	63.5	97%	0.973	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	98.8	160.7	-80.7	-28.1	0	0	0	108.2
555	G	54.6	Low	81.9	Confident	77 Å²	77	63.8 Å²	63.8	79%	0.794	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	24.9	176.8	0	0	0	0	0	116.9	S553	S553-G555 VanDerWaalsContact C-N 3.34Å; S553-G555 PolarHBondContact O-N 3.03Å
556	A	57.2	Low	82	Confident	41 Å²	41	61.2 Å²	61.2	34%	0.339	38%	0.377	S	S	.	.			trans	-59.3	146.4	167	0	0	0	0	0	111.6	M550 S553	M550-A556 HydrophobicContact CE-CB 3.62Å; S553-A556 VanDerWaalsContact CB-CB 3.45Å; S553-A556 VanDerWaalsContact OG-CB 3.32Å; S553-A556 WeakPolarHBondContact OG-CB 3.46Å
557	P	59.4	Low	81.8	Confident	113 Å²	113	62.6 Å²	62.6	73%	0.734	38%	0.384	S	S	*	.			trans	-59.9	141.6	176.4	23	-30.8	0	0	0	111.4	T559	P557-T559 PolarHBondContact O-N 2.94Å; P557-T559 VanDerWaalsContact O-N 3.11Å
558	D	69.2	Low	81.6	Confident	111 Å²	111	60.9 Å²	60.9	59%	0.594	38%	0.378	S	S	*	.			trans	-58	112.6	177.5	-168.3	-10.6	0	0	0	109.2	G560 K585	D558-G560 PolarHBondContact O-N 2.85Å; D558-G560 PolarHBondContact OD1-N 3.28Å; D558-K585 IonicContact OD2-NZ 2.6Å; D558-K585 PolarHBondContact OD2-NZ 2.88Å
559	T	79	Confident	81.2	Confident	57 Å²	57	60.9 Å²	60.9	35%	0.35	38%	0.378	S	S	.	.			trans	-68	-11.7	178.3	60.5	0	0	0	0	112	H548 M550 P557 Y561	H548-T559 PolarHBondContact ND1-OG1 2.9Å; M550-T559 HydrophobicContact CE-CG2 4.09Å; P557-T559 PolarHBondContact O-N 2.94Å; P557-T559 VanDerWaalsContact O-N 3.11Å; T559-Y561 WeakPolarHBondContact O-CD1 3.5Å; T559-Y561 PolarHBondContact O-N 3.02Å; T559-Y561 WeakPolarHBondContact OG1-CB 3.47Å; T559-Y561 WeakPolarHBondContact OG1-CD1 3.2Å; T559-Y561 WeakPolarHBondContact OG1-CD2 3.34Å; T559-Y561 PolarHBondContact OG1-N 2.73Å
560	G	85.7	Confident	81	Confident	52 Å²	52	58.3 Å²	58.3	54%	0.536	37%	0.37	S	S	.	.			trans	70.5	8	-174	0	0	0	0	0	113.4	D558	D558-G560 PolarHBondContact O-N 2.85Å; D558-G560 PolarHBondContact OD1-N 3.28Å
561	Y	92.5	Very high	80.7	Confident	67 Å²	67	56.5 Å²	56.5	26%	0.263	36%	0.361	S	S	.	.			trans	-65.9	136.8	-179	-67.6	-3.1	0	0	0	110.9	Q527 K528 H548 T559 W563	Q527-Y561 HydrophobicContact CB-CE2 4.4Å; K528-Y561 HydrophobicContact CG-CE2 4.06Å; K528-Y561 WeakPolarHBondContact O-CE2 2.94Å; H548-Y561 HydrophobicContact CB-CD2 4.41Å; H548-Y561 AromaticContact CE1-CD2 3.86Å; H548-Y561 AromaticContact CE1-CE2 3.8Å; H548-Y561 AromaticContact CG-CD2 3.88Å; H548-Y561 AromaticContact ND1-CD2 3.6Å; H548-Y561 AromaticContact ND1-CE2 3.91Å; T559-Y561 WeakPolarHBondContact O-CD1 3.5Å; T559-Y561 PolarHBondContact O-N 3.02Å; T559-Y561 WeakPolarHBondContact OG1-CB 3.47Å; T559-Y561 WeakPolarHBondContact OG1-CD1 3.2Å; T559-Y561 WeakPolarHBondContact OG1-CD2 3.34Å; T559-Y561 PolarHBondContact OG1-N 2.73Å; Y561-W563 VanDerWaalsContact CB-CH2 3.4Å; Y561-W563 VanDerWaalsContact CB-CZ3 3.42Å; Y561-W563 AromaticContact CD2-CH2 3.67Å; Y561-W563 HydrophobicContact CD2-CH2 3.67Å; Y561-W563 HydrophobicContact CD2-CZ2 4.08Å; Y561-W563 HydrophobicContact CG-CH2 4.03Å
562	L	95.3	Very high	80.6	Confident	70 Å²	70	53.6 Å²	53.6	37%	0.366	35%	0.353	S	S	.	.			trans	-137.1	139	175.2	-72	175.3	0	0	0	108.6	Q527 Q546 K585	Q527-L562 PolarHBondContact NE2-O 2.82Å; Q546-L562 HydrophobicContact CG-CD2 4.04Å; L562-K585 HydrophobicContact CD2-CB 3.92Å; L562-K585 HydrophobicContact CD2-CG 4.39Å
563	W	96.6	Very high	81	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.338	C	S	.	.			trans	-116.4	152.6	175.8	-68.3	-102.3	0	0	0	109.9	T523 W524 Q527 P531 Q546 H548 Y561 V565 L582	T523-W563 PolarHBondContact O-NE1 3.23Å; W524-W563 AromaticContact CD2-CD1 3.6Å; W524-W563 AromaticContact CE2-CD1 3.75Å; W524-W563 AromaticContact CE3-CD1 3.67Å; W524-W563 AromaticContact CE3-NE1 3.99Å; W524-W563 HydrophobicContact CH2-CG 4.47Å; W524-W563 HydrophobicContact CZ2-CB 4.09Å; W524-W563 AromaticContact CZ2-CD1 4Å; W524-W563 HydrophobicContact CZ2-CG 4.31Å; W524-W563 AromaticContact CZ3-CD1 3.92Å; Q527-W563 HydrophobicContact CG-CZ2 4.18Å; Q527-W563 VanDerWaalsContact NE2-CD1 3.25Å; Q527-W563 VanDerWaalsContact NE2-CG 3.32Å; P531-W563 HydrophobicContact CB-CD2 4.14Å; P531-W563 HydrophobicContact CB-CE3 3.72Å; P531-W563 HydrophobicContact CB-CZ3 4.12Å; P531-W563 HydrophobicContact CG-CB 4.23Å; P531-W563 HydrophobicContact CG-CD2 4.04Å; P531-W563 HydrophobicContact CG-CE3 4.14Å; P531-W563 HydrophobicContact CG-CG 4.1Å; Q546-W563 PolarHBondContact NE2-O 3.26Å; Q546-W563 PolarHBondContact OE1-O 2.97Å; H548-W563 HydrophobicContact CB-CH2 3.87Å; H548-W563 HydrophobicContact CB-CZ3 4.07Å; H548-W563 AromaticContact CD2-CH2 3.75Å; H548-W563 AromaticContact CG-CH2 3.9Å; Y561-W563 VanDerWaalsContact CB-CH2 3.4Å; Y561-W563 VanDerWaalsContact CB-CZ3 3.42Å; Y561-W563 AromaticContact CD2-CH2 3.67Å; Y561-W563 HydrophobicContact CD2-CH2 3.67Å; Y561-W563 HydrophobicContact CD2-CZ2 4.08Å; Y561-W563 HydrophobicContact CG-CH2 4.03Å; W563-V565 HydrophobicContact CB-CG2 3.59Å; W563-V565 PolarHBondContact O-N 2.94Å; W563-L582 VanDerWaalsContact O-O 3.1Å
564	H	95.6	Very high	81.9	Confident	34 Å²	34	55.1 Å²	55.1	16%	0.157	33%	0.333	C	S	.	.			trans	-87.9	99.3	160.8	-71.7	-170.2	0	0	0	108	T519 M520 T523 W524 P566 L581 L582	T519-H564 VanDerWaalsContact CG2-CE1 3.48Å; T519-H564 WeakPolarHBondContact CG2-CE1 3.3Å; M520-H564 HydrophobicContact CB-CB 3.78Å; M520-H564 HydrophobicContact CG-CB 3.73Å; T523-H564 PolarHBondContact OG1-N 2.7Å; W524-H564 PolarHBondContact NE1-O 2.85Å; H564-P566 WeakPolarHBondContact O-CD 3.32Å; H564-L581 HydrophobicContact CB-CD1 4.37Å; H564-L582 WeakPolarHBondContact CA-O 3.42Å
565	V	96.1	Very high	83.4	Confident	13 Å²	13	52.8 Å²	52.8	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.1	-171.2	-167.6	0	0	0	0	110.4	W524 P531 I533 W563 L567 L582	W524-V565 HydrophobicContact CZ2-CB 4.43Å; W524-V565 HydrophobicContact CZ2-CG1 4.28Å; W524-V565 HydrophobicContact CZ2-CG2 4.06Å; P531-V565 HydrophobicContact CB-CG2 4.49Å; P531-V565 HydrophobicContact CG-CG2 3.75Å; I533-V565 HydrophobicContact CD1-CG2 4.32Å; W563-V565 HydrophobicContact CB-CG2 3.59Å; W563-V565 PolarHBondContact O-N 2.94Å; V565-L567 VanDerWaalsContact C-N 3.29Å; V565-L567 HydrophobicContact CB-CD2 4.3Å; V565-L567 HydrophobicContact CB-CG 4.49Å; V565-L567 HydrophobicContact CG1-CD2 3.55Å; V565-L567 HydrophobicContact CG1-CG 4.17Å; V565-L567 PolarHBondContact O-N 3.42Å; V565-L582 HydrophobicContact CB-CB 4.39Å; V565-L582 PolarHBondContact N-O 3.04Å; V565-L582 PolarHBondContact O-N 2.83Å
566	P	94.4	Very high	84.9	Confident	19 Å²	19	55.4 Å²	55.4	12%	0.123	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	76	178	35.2	-37.2	0	0	0	110.1	M447 Y451 M520 H564 L581	M447-P566 HydrophobicContact CG-CG 3.5Å; M447-P566 HydrophobicContact SD-CG 3.72Å; Y451-P566 HydrophobicContact CD2-CB 3.52Å; Y451-P566 HydrophobicContact CE2-CB 4.25Å; Y451-P566 HydrophobicContact CG-CB 3.96Å; M520-P566 HydrophobicContact CE-CB 4.18Å; M520-P566 HydrophobicContact CE-CG 3.62Å; H564-P566 WeakPolarHBondContact O-CD 3.32Å; P566-L581 HydrophobicContact CB-CD1 4.27Å
567	L	92.2	Very high	86.3	Confident	30 Å²	30	56.5 Å²	56.5	16%	0.157	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.1	-178.1	-59.7	176.4	0	0	0	111.2	I533 M544 V565 R579 F580 L582	I533-L567 HydrophobicContact CG1-CD2 4.04Å; I533-L567 HydrophobicContact CG2-CD1 4.3Å; I533-L567 HydrophobicContact CG2-CD2 4.22Å; M544-L567 HydrophobicContact CG-CD1 4.38Å; M544-L567 HydrophobicContact SD-CD1 3.76Å; V565-L567 VanDerWaalsContact C-N 3.29Å; V565-L567 HydrophobicContact CB-CD2 4.3Å; V565-L567 HydrophobicContact CB-CG 4.49Å; V565-L567 HydrophobicContact CG1-CD2 3.55Å; V565-L567 HydrophobicContact CG1-CG 4.17Å; V565-L567 PolarHBondContact O-N 3.42Å; L567-R579 CarbonylContact O-C 3.58Å; L567-R579 WeakPolarHBondContact O-CA 3.45Å; L567-F580 WeakPolarHBondContact CA-O 3.36Å; L567-F580 WeakPolarHBondContact CB-O 3.42Å; L567-F580 HydrophobicContact CD1-CD1 4.29Å; L567-F580 PolarHBondContact N-O 2.93Å; L567-F580 PolarHBondContact O-N 2.85Å; L567-L582 HydrophobicContact CD1-CB 3.96Å; L567-L582 HydrophobicContact CD1-CD2 4.21Å; L567-L582 HydrophobicContact CG-CB 4.35Å
568	T	89.5	Confident	87.6	Confident	29 Å²	29	53.4 Å²	53.4	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.2	169.1	71.1	0	0	0	0	111	V577 H578 R579 P600 C601	T568-V577 HydrophobicContact CG2-CG1 4.15Å; T568-H578 CarbonylContact C-O 3.58Å; T568-H578 WeakPolarHBondContact CA-O 3.4Å; T568-R579 HydrophobicContact CG2-CG 4.2Å; T568-P600 WeakPolarHBondContact O-CA 3.49Å; T568-C601 PolarHBondContact O-N 3.11Å; T568-C601 VanDerWaalsContact OG1-CB 3.31Å; T568-C601 WeakPolarHBondContact OG1-CB 3.34Å; T568-C601 PolarHBondContact OG1-O 2.85Å
569	F	85.9	Confident	88.4	Confident	25 Å²	25	53.1 Å²	53.1	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151.2	179.9	64.5	-86.7	0	0	0	112.8	W510 T571 H578 I598 Y599	W510-F569 HydrophobicContact CH2-CE1 4.12Å; W510-F569 AromaticContact CH2-CZ 3.88Å; W510-F569 HydrophobicContact CH2-CZ 3.88Å; W510-F569 HydrophobicContact CZ2-CZ 4.22Å; W510-F569 AromaticContact CZ3-CE1 3.95Å; W510-F569 HydrophobicContact CZ3-CE1 3.95Å; W510-F569 HydrophobicContact CZ3-CZ 4.06Å; F569-T571 HydrophobicContact CD2-CG2 4.08Å; F569-T571 HydrophobicContact CE2-CG2 4.23Å; F569-H578 HydrophobicContact CD1-CB 4.14Å; F569-H578 HydrophobicContact CD2-CB 4.06Å; F569-H578 HydrophobicContact CE1-CB 3.74Å; F569-H578 HydrophobicContact CE2-CB 3.65Å; F569-H578 AromaticContact CE2-CD2 3.83Å; F569-H578 AromaticContact CE2-CG 3.97Å; F569-H578 HydrophobicContact CG-CB 4.29Å; F569-H578 HydrophobicContact CZ-CB 3.48Å; F569-H578 VanDerWaalsContact CZ-CB 3.48Å; F569-H578 PolarHBondContact N-O 3.42Å; F569-H578 PolarHBondContact O-N 3.32Å; F569-I598 HydrophobicContact CB-CG2 4.19Å; F569-I598 HydrophobicContact CD2-CG2 3.98Å; F569-I598 HydrophobicContact CG-CG2 4.3Å; F569-Y599 VanDerWaalsContact CA-O 3.3Å; F569-Y599 WeakPolarHBondContact CA-O 3.46Å; F569-Y599 WeakPolarHBondContact CB-O 3.22Å
570	I	87.3	Confident	88.8	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.185	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	172.5	167	55.9	169.8	0	0	0	109.8	V577 W597 Y599 C601	I570-V577 HydrophobicContact CG2-CG2 4.34Å; I570-W597 HydrophobicContact CG1-CZ3 4.36Å; I570-Y599 PolarHBondContact N-O 2.85Å; I570-Y599 PolarHBondContact O-N 2.93Å; I570-C601 WeakPolarHBondContact CG2-SG 3.47Å
571	T	84.3	Confident	89	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.5	-179.4	72.4	0	0	0	0	110.3	F569 K573 S574 R595 I598	F569-T571 HydrophobicContact CD2-CG2 4.08Å; F569-T571 HydrophobicContact CE2-CG2 4.23Å; T571-K573 PolarHBondContact O-N 2.7Å; T571-K573 PolarHBondContact OG1-N 2.91Å; T571-S574 PolarHBondContact N-O 2.82Å; T571-S574 CarbonylContact O-C 3.59Å; T571-S574 PolarHBondContact O-N 3.45Å; T571-S574 PolarHBondContact OG1-N 3.11Å; T571-R595 PolarHBondContact OG1-NH1 3.19Å; T571-I598 HydrophobicContact CG2-CG1 4.28Å
572	S	84.5	Confident	89	Confident	38 Å²	38	49 Å²	49	27%	0.266	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-16.2	170.4	53.8	0	0	0	0	118.4	P596 W597	S572-P596 WeakPolarHBondContact OG-CD 3.46Å; S572-P596 WeakPolarHBondContact OG-CG 3.44Å; S572-W597 VanDerWaalsContact CA-CE2 3.46Å; S572-W597 VanDerWaalsContact CB-CE2 3.47Å; S572-W597 PolarHBondContact N-O 2.69Å
573	K	81.6	Confident	88.8	Confident	133 Å²	133	49.3 Å²	49.3	58%	0.578	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-1.7	-177.8	-67	-169.3	172.8	-173.8	0	113.6	T571 L593	T571-K573 PolarHBondContact O-N 2.7Å; T571-K573 PolarHBondContact OG1-N 2.91Å; K573-L593 HydrophobicContact CD-CD1 4.43Å
574	S	82.3	Confident	88.7	Confident	30 Å²	30	53 Å²	53	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	115.1	-174.7	178.9	0	0	0	0	109.2	T571 M576	T571-S574 PolarHBondContact N-O 2.82Å; T571-S574 CarbonylContact O-C 3.59Å; T571-S574 PolarHBondContact O-N 3.45Å; T571-S574 PolarHBondContact OG1-N 3.11Å; S574-M576 WeakPolarHBondContact OG-CB 3.15Å; S574-M576 PolarHBondContact OG-N 3.26Å
575	D	87.9	Confident	88.5	Confident	134 Å²	134	55.7 Å²	55.7	72%	0.717	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	-0.7	171.8	-53.8	-31.4	0	0	0	111.4	V577	D575-V577 PolarHBondContact O-N 2.94Å
576	M	87.2	Confident	88.3	Confident	132 Å²	132	59.4 Å²	59.4	65%	0.65	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	125.3	168.9	-174.6	-174.6	178.7	0	0	109.6	S574 H578	S574-M576 WeakPolarHBondContact OG-CB 3.15Å; S574-M576 PolarHBondContact OG-N 3.26Å; M576-H578 PolarHBondContact O-CD2 2.83Å; M576-H578 PolarHBondContact O-N 3.07Å; M576-H578 VanDerWaalsContact O-N 3.16Å
577	V	86.3	Confident	87.9	Confident	63 Å²	63	59.6 Å²	59.6	38%	0.382	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	109.7	174.8	-177	0	0	0	0	109.3	T568 I570 D575	T568-V577 HydrophobicContact CG2-CG1 4.15Å; I570-V577 HydrophobicContact CG2-CG2 4.34Å; D575-V577 PolarHBondContact O-N 2.94Å
578	H	86.1	Confident	87.3	Confident	48 Å²	48	62.9 Å²	62.9	22%	0.222	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	144.9	172.3	-62.1	-68.6	0	0	0	109.9	T568 F569 M576	T568-H578 CarbonylContact C-O 3.58Å; T568-H578 WeakPolarHBondContact CA-O 3.4Å; F569-H578 HydrophobicContact CD1-CB 4.14Å; F569-H578 HydrophobicContact CD2-CB 4.06Å; F569-H578 HydrophobicContact CE1-CB 3.74Å; F569-H578 HydrophobicContact CE2-CB 3.65Å; F569-H578 AromaticContact CE2-CD2 3.83Å; F569-H578 AromaticContact CE2-CG 3.97Å; F569-H578 HydrophobicContact CG-CB 4.29Å; F569-H578 HydrophobicContact CZ-CB 3.48Å; F569-H578 VanDerWaalsContact CZ-CB 3.48Å; F569-H578 PolarHBondContact N-O 3.42Å; F569-H578 PolarHBondContact O-N 3.32Å; M576-H578 PolarHBondContact O-CD2 2.83Å; M576-H578 PolarHBondContact O-N 3.07Å; M576-H578 VanDerWaalsContact O-N 3.16Å
579	R	86.3	Confident	86.5	Confident	106 Å²	106	61.7 Å²	61.7	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.5	-176.3	-58.4	-179.5	178.9	-93.6	6.3	111	E450 L567 T568	E450-R579 VanDerWaalsContact O-CZ 3.3Å; E450-R579 PolarHBondContact O-NH1 3.27Å; E450-R579 PolarHBondContact O-NH2 3.34Å; L567-R579 CarbonylContact O-C 3.58Å; L567-R579 WeakPolarHBondContact O-CA 3.45Å; T568-R579 HydrophobicContact CG2-CG 4.2Å
580	F	87.4	Confident	85.5	Confident	43 Å²	43	62.7 Å²	62.7	19%	0.189	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	125.7	176.1	-178.2	-95.7	0	0	0	111.3	W510 M544 L567 L582 A587	W510-F580 HydrophobicContact CE3-CB 3.91Å; W510-F580 AromaticContact CE3-CD2 3.44Å; W510-F580 HydrophobicContact CE3-CD2 3.44Å; W510-F580 VanDerWaalsContact CE3-CD2 3.44Å; W510-F580 HydrophobicContact CE3-CE2 4.34Å; W510-F580 HydrophobicContact CE3-CG 4.05Å; W510-F580 HydrophobicContact CH2-CD2 4.38Å; W510-F580 HydrophobicContact CZ3-CB 3.61Å; W510-F580 AromaticContact CZ3-CD2 3.24Å; W510-F580 HydrophobicContact CZ3-CD2 3.24Å; W510-F580 HydrophobicContact CZ3-CE2 4.05Å; W510-F580 AromaticContact CZ3-CG 3.59Å; W510-F580 HydrophobicContact CZ3-CG 3.59Å; M544-F580 HydrophobicContact CE-CD1 3.86Å; M544-F580 HydrophobicContact CE-CE1 3.55Å; M544-F580 HydrophobicContact CE-CE2 4.29Å; M544-F580 HydrophobicContact CE-CG 4.36Å; M544-F580 HydrophobicContact CE-CZ 3.78Å; M544-F580 HydrophobicContact SD-CD1 3.61Å; M544-F580 HydrophobicContact SD-CE1 3.72Å; M544-F580 HydrophobicContact SD-CG 4.35Å; L567-F580 WeakPolarHBondContact CA-O 3.36Å; L567-F580 WeakPolarHBondContact CB-O 3.42Å; L567-F580 HydrophobicContact CD1-CD1 4.29Å; L567-F580 PolarHBondContact N-O 2.93Å; L567-F580 PolarHBondContact O-N 2.85Å; F580-L582 HydrophobicContact CD1-CB 4.32Å; F580-L582 HydrophobicContact CE1-CB 4.14Å; F580-L582 HydrophobicContact CE1-CD1 4.18Å; F580-L582 PolarHBondContact O-N 2.73Å; F580-A587 HydrophobicContact CE1-CB 3.93Å; F580-A587 HydrophobicContact CZ-CB 3.81Å
581	L	90.3	Very high	84.2	Confident	44 Å²	44	61.3 Å²	61.3	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.2	177.3	-174.6	66.9	0	0	0	110.5	Y451 M520 H564 P566 K583	Y451-L581 HydrophobicContact CE2-CD1 4.35Å; M520-L581 HydrophobicContact SD-CD1 4.19Å; H564-L581 HydrophobicContact CB-CD1 4.37Å; P566-L581 HydrophobicContact CB-CD1 4.27Å; L581-K583 HydrophobicContact CD2-CD 3.98Å; L581-K583 HydrophobicContact CD2-CG 3.97Å; L581-K583 HydrophobicContact CG-CD 4.45Å; L581-K583 HydrophobicContact CG-CG 3.92Å; L581-K583 PolarHBondContact O-N 2.84Å
582	L	92	Very high	82.8	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	105.9	175.1	-179.7	66.7	0	0	0	109.9	I533 M544 Q546 W563 H564 V565 L567 F580 T584 A587	I533-L582 HydrophobicContact CD1-CD2 4.06Å; M544-L582 HydrophobicContact CB-CD1 4.37Å; M544-L582 HydrophobicContact CB-CD2 4.48Å; Q546-L582 HydrophobicContact CB-CD2 3.88Å; Q546-L582 HydrophobicContact CG-CD2 4.08Å; W563-L582 VanDerWaalsContact O-O 3.1Å; H564-L582 WeakPolarHBondContact CA-O 3.42Å; V565-L582 HydrophobicContact CB-CB 4.39Å; V565-L582 PolarHBondContact N-O 3.04Å; V565-L582 PolarHBondContact O-N 2.83Å; L567-L582 HydrophobicContact CD1-CB 3.96Å; L567-L582 HydrophobicContact CD1-CD2 4.21Å; L567-L582 HydrophobicContact CG-CB 4.35Å; F580-L582 HydrophobicContact CD1-CB 4.32Å; F580-L582 HydrophobicContact CE1-CB 4.14Å; F580-L582 HydrophobicContact CE1-CD1 4.18Å; F580-L582 PolarHBondContact O-N 2.73Å; L582-T584 WeakPolarHBondContact CD1-O 3.43Å; L582-A587 HydrophobicContact CD1-CB 3.44Å; L582-A587 VanDerWaalsContact CD1-CB 3.44Å
583	K	91.8	Very high	81.3	Confident	77 Å²	77	68.1 Å²	68.1	34%	0.335	36%	0.358	S	S	.	.			trans	-99.8	-21.5	179.6	-62	-176.7	-76	-175.5	0	114	E513 L581	E513-K583 IonicContact OE2-NZ 2.67Å; E513-K583 PolarHBondContact OE2-NZ 3.29Å; L581-K583 HydrophobicContact CD2-CD 3.98Å; L581-K583 HydrophobicContact CD2-CG 3.97Å; L581-K583 HydrophobicContact CG-CD 4.45Å; L581-K583 HydrophobicContact CG-CG 3.92Å; L581-K583 PolarHBondContact O-N 2.84Å
584	T	93.1	Very high	79.9	Confident	79 Å²	79	69.4 Å²	69.4	49%	0.485	36%	0.364	S	S	.	.	S	Bend	trans	-110.7	164.9	-174	50.3	0	0	0	0	111.3	Q546 L582 T586	Q546-T584 PolarHBondContact NE2-O 2.82Å; L582-T584 WeakPolarHBondContact CD1-O 3.43Å; T584-T586 PolarHBondContact O-N 3.01Å; T584-T586 PolarHBondContact OG1-O 2.88Å
585	K	92.5	Very high	79	Confident	90 Å²	90	69.9 Å²	69.9	39%	0.391	36%	0.361	S	S	.	.	S	Bend	trans	-55.5	-38.7	177.2	-169.3	167.4	-171.6	162.4	0	112.6	K545 Q546 D558 L562	K545-K585 WeakPolarHBondContact CA-O 3.49Å; Q546-K585 PolarHBondContact N-O 2.89Å; D558-K585 IonicContact OD2-NZ 2.6Å; D558-K585 PolarHBondContact OD2-NZ 2.88Å; L562-K585 HydrophobicContact CD2-CB 3.92Å; L562-K585 HydrophobicContact CD2-CG 4.39Å
586	T	91.3	Very high	77.3	Confident	91 Å²	91	68.7 Å²	68.7	56%	0.558	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.9	175.4	57.1	0	0	0	0	111	M544 K545 T584	M544-T586 CarbonylContact O-C 3.53Å; M544-T586 WeakPolarHBondContact O-CA 3.47Å; K545-T586 HydrophobicContact CB-CG2 4.09Å; K545-T586 HydrophobicContact CG-CG2 4.01Å; T584-T586 PolarHBondContact O-N 3.01Å; T584-T586 PolarHBondContact OG1-O 2.88Å
587	A	86.4	Confident	76.3	Confident	22 Å²	22	68.5 Å²	68.5	18%	0.182	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.5	172.1	0	0	0	0	0	111.3	M544 F580 L582	M544-A587 HydrophobicContact CE-CB 4.35Å; M544-A587 PolarHBondContact N-O 2.7Å; M544-A587 PolarHBondContact O-N 2.89Å; F580-A587 HydrophobicContact CE1-CB 3.93Å; F580-A587 HydrophobicContact CZ-CB 3.81Å; L582-A587 HydrophobicContact CD1-CB 3.44Å; L582-A587 VanDerWaalsContact CD1-CB 3.44Å
588	L	80.5	Confident	75.1	Confident	100 Å²	100	67.4 Å²	67.4	52%	0.524	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.7	176.8	-174.4	63.4	0	0	0	109.9	N541 H543	N541-L588 HydrophobicContact CB-CD1 3.95Å; H543-L588 WeakPolarHBondContact CE1-CD1 3.46Å; H543-L588 WeakPolarHBondContact NE2-CD1 3.45Å
589	G	71.4	Confident	73.6	Confident	4 Å²	4	72 Å²	72	4%	0.041	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	152.8	169.1	0	0	0	0	0	111.5	V542	V542-G589 PolarHBondContact N-O 2.95Å; V542-G589 PolarHBondContact O-N 3.01Å
590	S	65	Low	72	Confident	46 Å²	46	70.8 Å²	70.8	32%	0.322	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122	173.1	59.6	0	0	0	0	111.4	W510	W510-S590 WeakPolarHBondContact CZ2-O 3.32Å; W510-S590 PolarHBondContact NE1-O 3.1Å
591	C	60	Low	69.8	Low	7 Å²	7	70.4 Å²	70.4	5%	0.047	37%	0.369	C	S	.	.			trans	-84.7	138.1	174.1	-89.5	0	0	0	0	110.5	R540 L593	R540-C591 WeakPolarHBondContact CB-O 3.44Å; R540-C591 WeakPolarHBondContact CD-O 3.39Å; R540-C591 PolarHBondContact O-N 2.67Å; C591-L593 PolarHBondContact O-N 3.05Å; C591-L593 VanDerWaalsContact O-N 3.11Å
592	P	55.2	Low	67.1	Low	86 Å²	86	76.4 Å²	76.4	56%	0.558	41%	0.408	S	S	*	.	S	Bend	trans	-53.3	-33.5	177.9	-27.4	29.2	0	0	0	114.8
593	L	52.5	Low	65.8	Low	94 Å²	94	80.2 Å²	80.2	49%	0.492	43%	0.428	S	S	.	.	S	Bend	trans	-135.8	154.6	-175.4	-67.8	168	0	0	0	110.8	K573 C591 R595	K573-L593 HydrophobicContact CD-CD1 4.43Å; C591-L593 PolarHBondContact O-N 3.05Å; C591-L593 VanDerWaalsContact O-N 3.11Å; L593-R595 WeakPolarHBondContact O-CG 3.5Å; L593-R595 PolarHBondContact O-N 3.19Å
594	K	53.6	Low	64.5	Low	161 Å²	161	80.4 Å²	80.4	70%	0.7	43%	0.433	S	S	*	.			trans	-60.7	129.1	166.1	-97	-178.6	174.4	179.8	0	108.5	R540	R540-K594 HydrophobicContact CG-CG 4.5Å
595	R	61.5	Low	62.9	Low	40 Å²	40	80.4 Å²	80.4	15%	0.151	43%	0.43	C	S	.	.			trans	-125.7	137	-174.1	-48.1	-160.4	-173.6	-136	0.1	111.6	T571 L593	T571-R595 PolarHBondContact OG1-NH1 3.19Å; L593-R595 WeakPolarHBondContact O-CG 3.5Å; L593-R595 PolarHBondContact O-N 3.19Å
596	P	52.2	Low	61.1	Low	109 Å²	109	79.9 Å²	79.9	71%	0.708	43%	0.432	S	S	*	.	S	Bend	trans	-68.3	-29.8	179	23	-32.9	0	0	0	114	S572	S572-P596 WeakPolarHBondContact OG-CD 3.46Å; S572-P596 WeakPolarHBondContact OG-CG 3.44Å
597	W	66.4	Low	59.3	Low	127 Å²	127	79.2 Å²	79.2	48%	0.481	42%	0.424	S	S	.	.			trans	-151.3	153.5	171	56.7	-98.5	0	0	0	111.9	I570 S572	I570-W597 HydrophobicContact CG1-CZ3 4.36Å; S572-W597 VanDerWaalsContact CA-CE2 3.46Å; S572-W597 VanDerWaalsContact CB-CE2 3.47Å; S572-W597 PolarHBondContact N-O 2.69Å
598	I	62.2	Low	57.5	Low	41 Å²	41	83 Å²	83	21%	0.21	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.7	170.3	-66.4	169.8	0	0	0	105.1	V537 V542 F569 T571	V537-I598 HydrophobicContact CG1-CD1 4.49Å; V537-I598 HydrophobicContact CG2-CD1 4.03Å; V542-I598 HydrophobicContact CG1-CD1 4.38Å; V542-I598 HydrophobicContact CG2-CD1 3.48Å; V542-I598 VanDerWaalsContact CG2-CD1 3.48Å; F569-I598 HydrophobicContact CB-CG2 4.19Å; F569-I598 HydrophobicContact CD2-CG2 3.98Å; F569-I598 HydrophobicContact CG-CG2 4.3Å; T571-I598 HydrophobicContact CG2-CG1 4.28Å
599	Y	54	Low	55.8	Low	143 Å²	143	81.8 Å²	81.8	56%	0.561	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.2	-179.5	-163.8	-96.9	0	0	0	109.1	F569 I570	F569-Y599 VanDerWaalsContact CA-O 3.3Å; F569-Y599 WeakPolarHBondContact CA-O 3.46Å; F569-Y599 WeakPolarHBondContact CB-O 3.22Å; I570-Y599 PolarHBondContact N-O 2.85Å; I570-Y599 PolarHBondContact O-N 2.93Å
600	P	53	Low	54.6	Low	81 Å²	81	87.8 Å²	87.8	53%	0.526	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.5	173	26.8	-30	0	0	0	109.4	T568	T568-P600 WeakPolarHBondContact O-CA 3.49Å
601	C	40	Very low	53.7	Low	36 Å²	36	91.3 Å²	91.3	24%	0.243	48%	0.477	C	S	.	.			trans	-84.5	129.6	169	-71.5	0	0	0	0	107.7	T568 I570	T568-C601 PolarHBondContact O-N 3.11Å; T568-C601 VanDerWaalsContact OG1-CB 3.31Å; T568-C601 WeakPolarHBondContact OG1-CB 3.34Å; T568-C601 PolarHBondContact OG1-O 2.85Å; I570-C601 WeakPolarHBondContact CG2-SG 3.47Å
602	T	34.2	Very low	53.2	Low	170 Å²	170	98.9 Å²	98.9	100%	1.043	52%	0.516	S	S	*	.			trans	-84.3	0	173.3	48.2	0	0	0	0	110.8

Retrieved 602 of 602 residues in 322.9 ms (Link to these results)

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