A0A096N6A2_PAPAN Loading...

3-hydroxyisobutyrate dehydrogenase

AlphaFold DB (F6W2R9), UniProt , Accession A0A096N6A2, Species PAPAN (Papio anubis, Olive baboon), Gene HIBADH, Length 336 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	34.2	Very low	242 Å²	242	131.4 Å²	131.4	100%	1.192	81%	0.808	S	S	*	*				0	96.6	0	-70.9	178.3	175.2	0	0	106.1
2	A	31.4	Very low	34.2	Very low	104 Å²	104	130.9 Å²	130.9	86%	0.86	81%	0.814	S	S	*	*				46.6	124.2	75.5	0	0	0	0	0	110.9
3	A	33.3	Very low	34.1	Very low	93 Å²	93	126.2 Å²	126.2	77%	0.769	81%	0.806	S	S	*	*			cis	-160.4	145.6	28.9	0	0	0	0	0	109.4
4	S	35.7	Very low	33.9	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	81%	0.808	S	S	*	*				67	133.6	88.9	-154.7	0	0	0	0	113.7
5	L	32.8	Very low	34.1	Very low	145 Å²	145	135.7 Å²	135.7	76%	0.759	81%	0.813	S	S	*	*			cis	-161.2	141.2	46.2	-101.1	98.1	0	0	0	108.9
6	R	37.4	Very low	33.9	Very low	211 Å²	211	140.6 Å²	140.6	80%	0.796	82%	0.815	S	S	*	*				62.2	141.2	85.2	-80.3	-173.1	-176.4	-146.8	3	114.5
7	L	35.7	Very low	33.8	Very low	122 Å²	122	146.2 Å²	146.2	64%	0.639	82%	0.82	S	S	*	*			cis	-179.3	144.4	29.4	-121.6	161.2	0	0	0	109.2
8	L	33.3	Very low	34.1	Very low	163 Å²	163	143.9 Å²	143.9	85%	0.853	82%	0.815	S	S	*	*				129.7	144.8	118.2	-82	150.2	0	0	0	110.7
9	G	28.4	Very low	34	Very low	61 Å²	61	149.3 Å²	149.3	63%	0.629	82%	0.821	S	S	*	*			cis	-165.6	153.6	5.7	0	0	0	0	0	111.4
10	A	33.6	Very low	34.5	Very low	109 Å²	109	154.2 Å²	154.2	90%	0.901	83%	0.827	S	S	*	*				52.5	145.3	116	0	0	0	0	0	117.7
11	A	33.9	Very low	34.5	Very low	96 Å²	96	155.2 Å²	155.2	79%	0.793	83%	0.831	S	S	*	*			cis	177.4	139.6	-18.8	0	0	0	0	0	104.8
12	S	34.4	Very low	34.4	Very low	126 Å²	126	154.9 Å²	154.9	88%	0.881	82%	0.816	S	S	*	*			trans	-176.9	119.7	147.2	53.4	0	0	0	0	110.8
13	G	32.7	Very low	34.6	Very low	69 Å²	69	156.3 Å²	156.3	71%	0.711	82%	0.817	S	S	*	*			trans	-89.8	164	172.5	0	0	0	0	0	113
14	L	31.4	Very low	34.7	Very low	160 Å²	160	156.6 Å²	156.6	84%	0.838	82%	0.819	S	S	*	*			trans	-155.8	118.8	148.4	-109.8	128.4	0	0	0	108.6	Y16	L14-Y16 HydrophobicContact CD2-CD2 4.25Å; L14-Y16 HydrophobicContact CD2-CE2 3.99Å
15	R	36.3	Very low	35.3	Very low	235 Å²	235	157.1 Å²	157.1	89%	0.887	83%	0.83	S	S	*	*			trans	-76.6	136.4	169.7	-66.9	176.9	-178.8	-145.6	-0.9	108.1
16	Y	31.1	Very low	35.4	Very low	214 Å²	214	153.6 Å²	153.6	84%	0.839	83%	0.828	S	S	*	*			trans	-138.8	144.4	153.1	-101.5	-84.7	0	0	0	111.8	L14	L14-Y16 HydrophobicContact CD2-CD2 4.25Å; L14-Y16 HydrophobicContact CD2-CE2 3.99Å
17	W	31.6	Very low	35.2	Very low	236 Å²	236	149.2 Å²	149.2	89%	0.894	83%	0.83	S	S	*	*			trans	-71.8	155.3	-163.4	-83.2	36.8	0	0	0	115.5
18	S	39.7	Very low	35.4	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	84%	0.843	S	S	*	*			trans	-55.4	136.7	170.6	53.3	0	0	0	0	115
19	R	32.8	Very low	35.7	Very low	247 Å²	247	149.5 Å²	149.5	93%	0.932	84%	0.835	S	S	*	*			trans	-140.6	123.2	147.6	-89.2	-172.6	174.4	-160.1	-1.8	110.3
20	R	43.5	Very low	36.3	Very low	247 Å²	247	151.2 Å²	151.2	93%	0.932	84%	0.843	S	S	*	*			trans	-68.8	135.2	168.3	-76.1	-178.5	-177.9	-160.7	-0.1	109.9
21	L	34.7	Very low	36.4	Very low	175 Å²	175	152.8 Å²	152.8	92%	0.916	84%	0.841	S	S	*	*			trans	-137.5	143.9	156.7	-77.5	170.7	0	0	0	110
22	R	39.7	Very low	36.4	Very low	236 Å²	236	153.6 Å²	153.6	89%	0.891	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-66.3	160.8	-169.7	-67.2	175.1	174.1	-155.3	-2	113.2
23	P	34.9	Very low	36.5	Very low	134 Å²	134	152.6 Å²	152.6	87%	0.87	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-74.8	130.2	176.3	31.8	-31.3	0	0	0	110.1
24	A	36	Very low	36.9	Very low	99 Å²	99	160.9 Å²	160.9	82%	0.818	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-95.8	138.3	166.5	0	0	0	0	0	109.2	G26	A24-G26 PolarHBondContact O-N 3.46Å
25	A	47.2	Very low	37.5	Very low	110 Å²	110	158.2 Å²	158.2	91%	0.909	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-54.8	126.8	-175.7	0	0	0	0	0	112.9
26	G	34.2	Very low	37.9	Very low	70 Å²	70	153.4 Å²	153.4	72%	0.722	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-98	121.5	170.5	0	0	0	0	0	110.6	A24	A24-G26 PolarHBondContact O-N 3.46Å
27	S	35.2	Very low	38.8	Very low	119 Å²	119	147.4 Å²	147.4	83%	0.832	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-47.3	129	175.3	-171.7	0	0	0	0	113.1	A29	S27-A29 PolarHBondContact O-N 3.04Å
28	F	38.8	Very low	40.3	Very low	208 Å²	208	140.6 Å²	140.6	91%	0.912	82%	0.817	S	S	*	*			trans	-64.3	102.2	164.5	-92.9	-97.6	0	0	0	108.6	A30	F28-A30 PolarHBondContact O-N 3.39Å
29	A	39.3	Very low	42.4	Very low	84 Å²	84	139.4 Å²	139.4	69%	0.694	80%	0.799	S	S	*	*			trans	-72.6	116.9	162.3	0	0	0	0	0	107.5	S27 V31	S27-A29 PolarHBondContact O-N 3.04Å; A29-V31 PolarHBondContact O-N 3.07Å; A29-V31 VanDerWaalsContact O-N 3.07Å
30	A	41.2	Very low	45.2	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	78%	0.78	S	S	*	*			trans	-55.4	113.7	172.4	0	0	0	0	0	109.2	F28 C32	F28-A30 PolarHBondContact O-N 3.39Å; A30-C32 VanDerWaalsContact C-N 3.29Å; A30-C32 PolarHBondContact O-N 2.98Å
31	V	36	Very low	47.7	Very low	141 Å²	141	122.7 Å²	122.7	86%	0.855	75%	0.752	S	S	*	*			trans	-69.9	96	165.9	178.9	0	0	0	0	105.7	A29 S33	A29-V31 PolarHBondContact O-N 3.07Å; A29-V31 VanDerWaalsContact O-N 3.07Å; V31-S33 PolarHBondContact O-N 2.97Å
32	C	34.8	Very low	50.8	Low	114 Å²	114	114.3 Å²	114.3	77%	0.77	71%	0.709	S	S	*	*			trans	-61.2	106.1	168	-150	0	0	0	0	106.2	A30 R34	A30-C32 VanDerWaalsContact C-N 3.29Å; A30-C32 PolarHBondContact O-N 2.98Å; C32-R34 PolarHBondContact O-N 2.97Å
33	S	36.9	Very low	53.6	Low	105 Å²	105	103.1 Å²	103.1	73%	0.734	67%	0.666	S	S	*	*			trans	-57.1	112	171.9	49.7	0	0	0	0	106.7	V31 S35	V31-S33 PolarHBondContact O-N 2.97Å; S33-S35 PolarHBondContact O-N 2.98Å
34	R	40.6	Very low	56.6	Low	242 Å²	242	96.7 Å²	96.7	91%	0.913	63%	0.625	S	S	*	*			trans	-60.4	111.4	165.7	-74.2	-177.2	178.3	-160.3	-0.8	105.2	C32 V36	C32-R34 PolarHBondContact O-N 2.97Å; R34-V36 PolarHBondContact O-N 2.98Å
35	S	43.2	Very low	59.6	Low	105 Å²	105	92.1 Å²	92.1	73%	0.734	59%	0.586	S	S	*	*			trans	-45.3	126.3	162.6	132.8	0	0	0	0	106.5	S33 A37	S33-S35 PolarHBondContact O-N 2.98Å; S35-A37 PolarHBondContact O-N 3.19Å
36	V	45	Very low	62.1	Low	134 Å²	134	87 Å²	87	81%	0.812	55%	0.545	S	S	*	.			trans	-53.7	114	166.7	-176.4	0	0	0	0	104.5	R34 S38	R34-V36 PolarHBondContact O-N 2.98Å; V36-S38 PolarHBondContact O-N 3.25Å
37	A	49.9	Very low	65.1	Low	87 Å²	87	84 Å²	84	72%	0.719	51%	0.513	S	S	*	.			trans	-57.5	112.9	174.5	0	0	0	0	0	106.2	S35 K39	S35-A37 PolarHBondContact O-N 3.19Å; A37-K39 PolarHBondContact O-N 2.94Å
38	S	62.9	Low	68	Low	94 Å²	94	80.5 Å²	80.5	66%	0.657	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-54.6	127	179.6	179	0	0	0	0	108.1	V36	V36-S38 PolarHBondContact O-N 3.25Å
39	K	83.8	Confident	70.4	Confident	79 Å²	79	77 Å²	77	34%	0.343	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-58.9	151.4	173.5	-69.3	-178.7	166.3	-171.7	0	109.3	A37 H61 Y63 P64	A37-K39 PolarHBondContact O-N 2.94Å; K39-H61 WeakPolarHBondContact CE-O 3.33Å; K39-H61 PolarHBondContact NZ-O 3.49Å; K39-Y63 HydrophobicContact CB-CD1 3.79Å; K39-Y63 HydrophobicContact CB-CE1 4.02Å; K39-Y63 HydrophobicContact CB-CG 4.42Å; K39-Y63 HydrophobicContact CD-CD1 3.82Å; K39-Y63 HydrophobicContact CD-CD2 4Å; K39-Y63 HydrophobicContact CD-CE1 3.62Å; K39-Y63 HydrophobicContact CD-CE2 3.78Å; K39-Y63 HydrophobicContact CD-CG 4Å; K39-Y63 HydrophobicContact CG-CD1 4.44Å; K39-Y63 HydrophobicContact CG-CE1 4.31Å; K39-Y63 PolarHBondContact NZ-OH 2.9Å; K39-P64 VanDerWaalsContact O-CD 3.23Å; K39-P64 WeakPolarHBondContact O-CD 3.47Å; K39-P64 WeakPolarHBondContact O-CG 3.42Å
40	T	91.4	Very high	73.1	Confident	89 Å²	89	74.7 Å²	74.7	55%	0.546	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-64.2	143.1	177.9	49	0	0	0	0	110.8
41	P	96.9	Very high	75.8	Confident	54 Å²	54	70.1 Å²	70.1	35%	0.351	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-57.8	142.6	179.2	-24.5	33.5	0	0	0	113.4	P64 I66	P41-P64 CarbonylContact C-O 3.51Å; P41-P64 VanDerWaalsContact CA-O 3.3Å; P41-P64 WeakPolarHBondContact CA-O 3.47Å; P41-I66 HydrophobicContact CB-CD1 3.68Å; P41-I66 HydrophobicContact CB-CG1 4.39Å
42	V	98.8	Very high	78.8	Confident	0 Å²	0	65 Å²	65	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.8	173.8	178.2	0	0	0	0	109.2	L58 Y63 P64 L65 I66 R98 I100 L188	V42-L58 HydrophobicContact CG1-CD1 4.29Å; V42-Y63 HydrophobicContact CG2-CD1 3.63Å; V42-Y63 HydrophobicContact CG2-CE1 4.34Å; V42-Y63 HydrophobicContact CG2-CG 4.09Å; V42-P64 PolarHBondContact N-O 2.92Å; V42-L65 HydrophobicContact CB-CD2 3.92Å; V42-L65 HydrophobicContact CG1-CD2 4.44Å; V42-L65 VanDerWaalsContact O-CA 3.31Å; V42-L65 WeakPolarHBondContact O-CA 3.46Å; V42-I66 PolarHBondContact O-N 2.79Å; V42-R98 WeakPolarHBondContact CA-O 3.32Å; V42-I100 HydrophobicContact CG1-CD1 4.11Å; V42-L188 HydrophobicContact CG2-CD2 3.76Å
43	G	98.9	Very high	81.8	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.4	171.9	0	0	0	0	0	110.9	I66 R98 I99 I100	G43-I66 CarbonylContact C-O 3.47Å; G43-I66 WeakPolarHBondContact CA-O 3.23Å; G43-R98 PolarHBondContact N-O 3.09Å; G43-I99 CarbonylContact O-C 3.59Å; G43-I99 WeakPolarHBondContact O-CA 3.34Å; G43-I100 PolarHBondContact O-N 2.78Å
44	F	98.9	Very high	84.7	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.5	174.1	-150.4	-72.6	0	0	0	110.8	G46 L47 M54 A55 L58 I66 I67 Y68 I100 M102 M192	F44-G46 VanDerWaalsContact CE1-O 3.3Å; F44-G46 WeakPolarHBondContact CE1-O 3.3Å; F44-L47 HydrophobicContact CD1-CD2 3.87Å; F44-L47 HydrophobicContact CE1-CD2 4.31Å; F44-M54 HydrophobicContact CE2-CB 4.09Å; F44-M54 HydrophobicContact CZ-CB 3.69Å; F44-M54 HydrophobicContact CZ-CE 4.28Å; F44-A55 HydrophobicContact CD1-CB 4.15Å; F44-A55 HydrophobicContact CD2-CB 4Å; F44-A55 HydrophobicContact CE1-CB 4.33Å; F44-A55 HydrophobicContact CE2-CB 4.17Å; F44-A55 HydrophobicContact CG-CB 3.98Å; F44-A55 HydrophobicContact CZ-CB 4.34Å; F44-L58 HydrophobicContact CD2-CD1 3.7Å; F44-L58 HydrophobicContact CE2-CD1 3.88Å; F44-I66 PolarHBondContact N-O 3.28Å; F44-I67 HydrophobicContact CB-CD1 3.74Å; F44-I67 WeakPolarHBondContact O-CA 3.15Å; F44-Y68 PolarHBondContact O-N 2.91Å; F44-I100 WeakPolarHBondContact CA-O 3.38Å; F44-I100 HydrophobicContact CD2-CB 4.04Å; F44-I100 HydrophobicContact CD2-CD1 4.41Å; F44-I100 HydrophobicContact CD2-CG2 4.23Å; F44-I100 HydrophobicContact CE2-CB 4.06Å; F44-I100 HydrophobicContact CE2-CD1 4.33Å; F44-I100 HydrophobicContact CE2-CG2 3.75Å; F44-I100 HydrophobicContact CZ-CG2 4.01Å; F44-M102 HydrophobicContact CE1-CB 4.11Å; F44-M102 HydrophobicContact CZ-CB 4.36Å; F44-M192 HydrophobicContact CE2-SD 4.11Å
45	I	98.9	Very high	87.5	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.5	-173.6	-62.5	172.2	0	0	0	109	Y68 P89 V92 I99 I100 T101 M102 L103 A112 I119	I45-Y68 WeakPolarHBondContact CA-O 3.46Å; I45-Y68 HydrophobicContact CG2-CD1 4Å; I45-P89 HydrophobicContact CD1-CB 3.94Å; I45-V92 HydrophobicContact CD1-CB 4.2Å; I45-V92 HydrophobicContact CD1-CG1 4.26Å; I45-V92 HydrophobicContact CD1-CG2 4.25Å; I45-V92 HydrophobicContact CG1-CB 4.38Å; I45-V92 HydrophobicContact CG1-CG1 4.26Å; I45-V92 HydrophobicContact CG1-CG2 4Å; I45-I99 HydrophobicContact CD1-CG2 3.77Å; I45-I99 HydrophobicContact CG1-CG2 4.24Å; I45-I100 PolarHBondContact N-O 3.18Å; I45-T101 HydrophobicContact CB-CG2 3.81Å; I45-T101 HydrophobicContact CD1-CG2 4.05Å; I45-T101 HydrophobicContact CG1-CG2 4.45Å; I45-T101 HydrophobicContact CG2-CG2 4.09Å; I45-T101 WeakPolarHBondContact O-CA 3.28Å; I45-M102 PolarHBondContact O-N 2.73Å; I45-L103 HydrophobicContact CG2-CD2 4.32Å; I45-A112 HydrophobicContact CG2-CB 4.38Å; I45-I119 HydrophobicContact CD1-CD1 3.68Å; I45-I119 HydrophobicContact CD1-CG1 3.73Å
46	G	98.6	Very high	90.1	Very high	4 Å²	4	41.4 Å²	41.4	4%	0.041	26%	0.257	C	S	.	.			trans	97	113	-177.6	0	0	0	0	0	112.8	F44 G51 Y68 D69	F44-G46 VanDerWaalsContact CE1-O 3.3Å; F44-G46 WeakPolarHBondContact CE1-O 3.3Å; G46-G51 WeakPolarHBondContact O-CA 2.94Å; G46-Y68 PolarHBondContact N-O 3.36Å; G46-D69 WeakPolarHBondContact CA-OD2 3.27Å
47	L	98.4	Very high	92.7	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	22%	0.22	C	C	.	.			trans	-122.9	34.4	-170.1	-64.8	179	0	0	0	112.8	F44 N52 A55 I67 D69 A74 F78	F44-L47 HydrophobicContact CD1-CD2 3.87Å; F44-L47 HydrophobicContact CE1-CD2 4.31Å; L47-N52 WeakPolarHBondContact O-CB 3.47Å; L47-A55 HydrophobicContact CD2-CB 3.95Å; L47-I67 HydrophobicContact CD1-CG2 3.3Å; L47-I67 HydrophobicContact CG-CG2 4.26Å; L47-D69 HydrophobicContact CB-CB 4.36Å; L47-D69 HydrophobicContact CD1-CB 4.47Å; L47-D69 HydrophobicContact CG-CB 4.44Å; L47-D69 PolarHBondContact N-OD2 3.18Å; L47-A74 HydrophobicContact CB-CB 4.19Å; L47-F78 HydrophobicContact CB-CE2 4.46Å; L47-F78 HydrophobicContact CD1-CD2 3.52Å; L47-F78 HydrophobicContact CD1-CE2 3.57Å; L47-F78 HydrophobicContact CD1-CG 4.44Å; L47-F78 HydrophobicContact CD2-CD2 4.38Å; L47-F78 HydrophobicContact CD2-CE2 3.76Å; L47-F78 HydrophobicContact CD2-CZ 3.96Å; L47-F78 HydrophobicContact CG-CE2 4.15Å
48	G	94.2	Very high	95	Very high	45 Å²	45	31.2 Å²	31.2	46%	0.464	19%	0.186	S	C	.	.	S	Bend	trans	-68.9	-162.9	172.7	0	0	0	0	0	113.5	M50 G51 N52	G48-M50 PolarHBondContact O-N 2.94Å; G48-G51 PolarHBondContact O-N 2.78Å; G48-N52 WeakPolarHBondContact O-CB 3.39Å; G48-N52 PolarHBondContact O-N 3.19Å
49	N	90.3	Very high	96.7	Very high	134 Å²	134	29 Å²	29	72%	0.717	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.1	-176.7	-69.4	-21.6	0	0	0	115	P53 V163	N49-P53 WeakPolarHBondContact O-CD 3.46Å; N49-P53 VanDerWaalsContact O-CG 3.29Å; N49-P53 WeakPolarHBondContact O-CG 3.22Å; N49-V163 HydrophobicContact CB-CG2 3.97Å
50	M	95.2	Very high	97.4	Very high	36 Å²	36	32.4 Å²	32.4	18%	0.177	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-46.8	175.4	-61.5	-63.3	-69.1	0	0	111.9	G48 N52 P53 M54 M102 V159 G162 V163 A166 L171	G48-M50 PolarHBondContact O-N 2.94Å; M50-N52 PolarHBondContact O-N 3.09Å; M50-P53 VanDerWaalsContact O-CD 3.24Å; M50-P53 WeakPolarHBondContact O-CD 3.29Å; M50-P53 VanDerWaalsContact O-CG 3.3Å; M50-P53 WeakPolarHBondContact O-CG 3.38Å; M50-M54 HydrophobicContact CB-SD 4.12Å; M50-M54 WeakPolarHBondContact O-CB 3.47Å; M50-M54 WeakPolarHBondContact O-CG 3.38Å; M50-M54 PolarHBondContact O-N 3.37Å; M50-M54 VanDerWaalsContact O-N 3.17Å; M50-M54 VanDerWaalsContact O-SD 3.38Å; M50-M102 HydrophobicContact CB-CE 3.42Å; M50-M102 VanDerWaalsContact CB-CE 3.42Å; M50-M102 HydrophobicContact CB-CG 4.14Å; M50-M102 HydrophobicContact CG-CE 3.8Å; M50-V159 HydrophobicContact CE-CG2 3.75Å; M50-G162 VanDerWaalsContact SD-C 3.59Å; M50-V163 HydrophobicContact SD-CG2 4.07Å; M50-A166 HydrophobicContact CE-CB 3.9Å; M50-A166 HydrophobicContact SD-CB 4.15Å; M50-L171 HydrophobicContact CE-CD1 4.41Å; M50-L171 HydrophobicContact CE-CD2 3.71Å
51	G	98.1	Very high	97.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-43.1	-175.6	0	0	0	0	0	113.8	G46 G48 M54 A55	G46-G51 WeakPolarHBondContact O-CA 2.94Å; G48-G51 PolarHBondContact O-N 2.78Å; G51-M54 PolarHBondContact O-N 3.03Å; G51-A55 WeakPolarHBondContact O-CB 3.3Å; G51-A55 PolarHBondContact O-N 3.34Å
52	N	98.4	Very high	97.7	Very high	32 Å²	32	32.1 Å²	32.1	17%	0.171	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-55.5	179.3	176.9	-71.9	0	0	0	113	L47 G48 M50 M54 A55 K56 E77 F78	L47-N52 WeakPolarHBondContact O-CB 3.47Å; G48-N52 WeakPolarHBondContact O-CB 3.39Å; G48-N52 PolarHBondContact O-N 3.19Å; M50-N52 PolarHBondContact O-N 3.09Å; N52-M54 VanDerWaalsContact C-N 3.32Å; N52-M54 PolarHBondContact O-N 3.21Å; N52-A55 PolarHBondContact O-N 2.86Å; N52-K56 WeakPolarHBondContact O-CG 3.47Å; N52-K56 PolarHBondContact O-N 3.41Å; N52-K56 VanDerWaalsContact O-N 3.08Å; N52-K56 VanDerWaalsContact OD1-CE 3.29Å; N52-K56 WeakPolarHBondContact OD1-CE 3.48Å; N52-K56 PolarHBondContact OD1-NZ 3.37Å; N52-E77 PolarHBondContact ND2-OE2 2.79Å; N52-F78 HydrophobicContact CB-CE2 4.47Å; N52-F78 HydrophobicContact CB-CZ 4.41Å; N52-F78 WeakPolarHBondContact ND2-CE2 3.48Å
53	P	98.1	Very high	97.7	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-29.8	177.8	24.2	-33.2	0	0	0	113.8	N49 M50 N57 A166 R167	N49-P53 WeakPolarHBondContact O-CD 3.46Å; N49-P53 VanDerWaalsContact O-CG 3.29Å; N49-P53 WeakPolarHBondContact O-CG 3.22Å; M50-P53 VanDerWaalsContact O-CD 3.24Å; M50-P53 WeakPolarHBondContact O-CD 3.29Å; M50-P53 VanDerWaalsContact O-CG 3.3Å; M50-P53 WeakPolarHBondContact O-CG 3.38Å; P53-N57 PolarHBondContact O-N 3.47Å; P53-N57 VanDerWaalsContact O-N 3.09Å; P53-N57 PolarHBondContact O-ND2 2.65Å; P53-A166 HydrophobicContact CB-CB 4.28Å; P53-A166 HydrophobicContact CG-CB 3.78Å; P53-R167 HydrophobicContact CB-CB 4.36Å; P53-R167 HydrophobicContact CB-CG 3.66Å; P53-R167 HydrophobicContact CG-CG 4.24Å
54	M	98.8	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-49.9	173.9	-75.7	167.1	66.6	0	0	111.5	F44 M50 G51 N52 K56 N57 L58 M102 V159 A166 L171 F173 M192	F44-M54 HydrophobicContact CE2-CB 4.09Å; F44-M54 HydrophobicContact CZ-CB 3.69Å; F44-M54 HydrophobicContact CZ-CE 4.28Å; M50-M54 HydrophobicContact CB-SD 4.12Å; M50-M54 WeakPolarHBondContact O-CB 3.47Å; M50-M54 WeakPolarHBondContact O-CG 3.38Å; M50-M54 PolarHBondContact O-N 3.37Å; M50-M54 VanDerWaalsContact O-N 3.17Å; M50-M54 VanDerWaalsContact O-SD 3.38Å; G51-M54 PolarHBondContact O-N 3.03Å; N52-M54 VanDerWaalsContact C-N 3.32Å; N52-M54 PolarHBondContact O-N 3.21Å; M54-K56 PolarHBondContact O-N 3.3Å; M54-N57 PolarHBondContact O-N 3.29Å; M54-N57 VanDerWaalsContact O-N 3.11Å; M54-L58 PolarHBondContact O-N 3.25Å; M54-M102 HydrophobicContact CE-CG 4.36Å; M54-M102 HydrophobicContact CE-SD 4.23Å; M54-M102 HydrophobicContact SD-CE 4.32Å; M54-M102 HydrophobicContact SD-CG 4.07Å; M54-M102 HydrophobicContact SD-SD 4.2Å; M54-V159 HydrophobicContact CE-CG1 4.44Å; M54-A166 HydrophobicContact CG-CB 4.43Å; M54-L171 HydrophobicContact CG-CD1 3.77Å; M54-L171 HydrophobicContact SD-CD1 3.98Å; M54-F173 HydrophobicContact CE-CE1 4.16Å; M54-F173 HydrophobicContact CE-CZ 4.08Å; M54-M192 HydrophobicContact CB-CG 4.46Å; M54-M192 HydrophobicContact CB-SD 3.72Å; M54-M192 HydrophobicContact CE-SD 4.14Å; M54-M192 HydrophobicContact CG-SD 4.28Å
55	A	98.8	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-45.7	175.6	0	0	0	0	0	111.6	F44 L47 G51 N52 N57 L58 M59 L65 F78	F44-A55 HydrophobicContact CD1-CB 4.15Å; F44-A55 HydrophobicContact CD2-CB 4Å; F44-A55 HydrophobicContact CE1-CB 4.33Å; F44-A55 HydrophobicContact CE2-CB 4.17Å; F44-A55 HydrophobicContact CG-CB 3.98Å; F44-A55 HydrophobicContact CZ-CB 4.34Å; L47-A55 HydrophobicContact CD2-CB 3.95Å; G51-A55 WeakPolarHBondContact O-CB 3.3Å; G51-A55 PolarHBondContact O-N 3.34Å; N52-A55 PolarHBondContact O-N 2.86Å; A55-N57 PolarHBondContact O-N 3.38Å; A55-L58 WeakPolarHBondContact O-CB 3.34Å; A55-L58 PolarHBondContact O-N 3.49Å; A55-M59 PolarHBondContact O-N 3.21Å; A55-M59 VanDerWaalsContact O-N 3.1Å; A55-L65 HydrophobicContact CB-CD1 3.82Å; A55-L65 WeakPolarHBondContact O-CD1 3.45Å; A55-F78 HydrophobicContact CB-CE1 3.61Å; A55-F78 HydrophobicContact CB-CZ 3.77Å
56	K	98.6	Very high	97.6	Very high	62 Å²	62	34.5 Å²	34.5	27%	0.27	19%	0.194	S	C	.	.	H	α-helix	trans	-57.9	-35.7	175.2	-75	173.9	176.8	161.8	0	113.3	N52 M54 M59 K60 E77 F78	N52-K56 WeakPolarHBondContact O-CG 3.47Å; N52-K56 PolarHBondContact O-N 3.41Å; N52-K56 VanDerWaalsContact O-N 3.08Å; N52-K56 VanDerWaalsContact OD1-CE 3.29Å; N52-K56 WeakPolarHBondContact OD1-CE 3.48Å; N52-K56 PolarHBondContact OD1-NZ 3.37Å; M54-K56 PolarHBondContact O-N 3.3Å; K56-M59 WeakPolarHBondContact O-CB 3.48Å; K56-M59 PolarHBondContact O-N 3.12Å; K56-K60 WeakPolarHBondContact O-CG 3.43Å; K56-K60 PolarHBondContact O-N 3.38Å; K56-E77 WeakPolarHBondContact CE-OE1 3.37Å; K56-E77 VanDerWaalsContact CE-OE2 3.27Å; K56-E77 WeakPolarHBondContact CE-OE2 3.5Å; K56-E77 IonicContact NZ-OE1 3.43Å; K56-E77 PolarHBondContact NZ-OE1 3.28Å; K56-E77 IonicContact NZ-OE2 2.67Å; K56-E77 PolarHBondContact NZ-OE2 2.88Å; K56-F78 HydrophobicContact CG-CE1 3.94Å; K56-F78 HydrophobicContact CG-CZ 4.13Å
57	N	98.8	Very high	97.6	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-70.8	-32	177.3	-77.1	-21.6	0	0	0	112.5	P53 M54 A55 K60 H61 A166 G169 C191 M192	P53-N57 PolarHBondContact O-N 3.47Å; P53-N57 VanDerWaalsContact O-N 3.09Å; P53-N57 PolarHBondContact O-ND2 2.65Å; M54-N57 PolarHBondContact O-N 3.29Å; M54-N57 VanDerWaalsContact O-N 3.11Å; A55-N57 PolarHBondContact O-N 3.38Å; N57-K60 PolarHBondContact O-N 2.89Å; N57-K60 PolarHBondContact OD1-NZ 2.74Å; N57-H61 PolarHBondContact O-N 3.1Å; N57-H61 PolarHBondContact O-ND1 2.78Å; N57-A166 PolarHBondContact ND2-O 3.32Å; N57-G169 PolarHBondContact ND2-N 3.36Å; N57-C191 WeakPolarHBondContact CB-O 3.4Å; N57-M192 HydrophobicContact CB-CG 4.36Å
58	L	98.6	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-43.3	169.5	-67.6	167.3	0	0	0	111.6	V42 F44 M54 A55 K60 H61 G62 Y63 L65 I100 L188 C191 M192	V42-L58 HydrophobicContact CG1-CD1 4.29Å; F44-L58 HydrophobicContact CD2-CD1 3.7Å; F44-L58 HydrophobicContact CE2-CD1 3.88Å; M54-L58 PolarHBondContact O-N 3.25Å; A55-L58 WeakPolarHBondContact O-CB 3.34Å; A55-L58 PolarHBondContact O-N 3.49Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.39Å; L58-H61 CarbonylContact O-C 3.58Å; L58-H61 WeakPolarHBondContact O-CA 3.2Å; L58-H61 PolarHBondContact O-N 3.45Å; L58-G62 PolarHBondContact O-N 2.88Å; L58-Y63 HydrophobicContact CD2-CD2 4.19Å; L58-Y63 PolarHBondContact O-N 3.47Å; L58-L65 HydrophobicContact CB-CD2 4.07Å; L58-L65 HydrophobicContact CD1-CD2 4.17Å; L58-I100 HydrophobicContact CD1-CD1 3.76Å; L58-L188 HydrophobicContact CD2-CD2 4.49Å; L58-C191 HydrophobicContact CD2-CB 3.93Å; L58-M192 HydrophobicContact CD1-CE 4.49Å; L58-M192 HydrophobicContact CD1-SD 3.84Å; L58-M192 HydrophobicContact CD2-CE 4.39Å; L58-M192 HydrophobicContact CD2-CG 4.15Å; L58-M192 HydrophobicContact CD2-SD 4.21Å; L58-M192 HydrophobicContact CG-CG 3.97Å; L58-M192 HydrophobicContact CG-SD 3.82Å
59	M	98.3	Very high	97.9	Very high	48 Å²	48	35.3 Å²	35.3	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-43.1	175.7	-61.7	166	66.5	0	0	111.8	A55 K56 H61 G62 L65 F78 A81 E83	A55-M59 PolarHBondContact O-N 3.21Å; A55-M59 VanDerWaalsContact O-N 3.1Å; K56-M59 WeakPolarHBondContact O-CB 3.48Å; K56-M59 PolarHBondContact O-N 3.12Å; M59-H61 PolarHBondContact O-N 3.25Å; M59-G62 WeakPolarHBondContact O-CA 3.05Å; M59-G62 PolarHBondContact O-N 3.13Å; M59-L65 HydrophobicContact CG-CD1 3.6Å; M59-L65 HydrophobicContact CG-CG 4.02Å; M59-L65 HydrophobicContact SD-CD1 4.16Å; M59-F78 HydrophobicContact SD-CD1 3.64Å; M59-F78 HydrophobicContact SD-CE1 3.76Å; M59-A81 HydrophobicContact CE-CB 3.78Å; M59-E83 HydrophobicContact CE-CG 3.77Å; M59-E83 WeakPolarHBondContact CE-OE1 3.49Å; M59-E83 HydrophobicContact CG-CG 4.48Å; M59-E83 WeakPolarHBondContact CG-OE1 3.26Å; M59-E83 HydrophobicContact SD-CG 4.07Å
60	K	97.9	Very high	98.3	Very high	149 Å²	149	33.7 Å²	33.7	65%	0.648	18%	0.179	S	C	*	.	H	α-helix	trans	-59	-28.8	175.1	-72.1	175.7	-168	163.7	0	113	K56 N57 L58 G62	K56-K60 WeakPolarHBondContact O-CG 3.43Å; K56-K60 PolarHBondContact O-N 3.38Å; N57-K60 PolarHBondContact O-N 2.89Å; N57-K60 PolarHBondContact OD1-NZ 2.74Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.39Å; K60-G62 VanDerWaalsContact C-N 3.29Å
61	H	97.9	Very high	98.4	Very high	92 Å²	92	39 Å²	39	43%	0.426	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	9.3	175.9	-70	85	0	0	0	113.3	K39 N57 L58 M59 Y63 C191	K39-H61 WeakPolarHBondContact CE-O 3.33Å; K39-H61 PolarHBondContact NZ-O 3.49Å; N57-H61 PolarHBondContact O-N 3.1Å; N57-H61 PolarHBondContact O-ND1 2.78Å; L58-H61 CarbonylContact O-C 3.58Å; L58-H61 WeakPolarHBondContact O-CA 3.2Å; L58-H61 PolarHBondContact O-N 3.45Å; M59-H61 PolarHBondContact O-N 3.25Å; H61-Y63 HydrophobicContact CB-CD2 4.2Å; H61-Y63 HydrophobicContact CB-CE2 4.3Å; H61-C191 HydrophobicContact CB-CB 4.12Å; H61-C191 PolarHBondContact CE1-O 3.42Å; H61-C191 VanDerWaalsContact CE1-O 3.25Å; H61-C191 PolarHBondContact ND1-O 3.27Å
62	G	97.3	Very high	98.3	Very high	45 Å²	45	43.7 Å²	43.7	46%	0.464	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	17.8	172.5	0	0	0	0	0	115.2	L58 M59 K60 P64	L58-G62 PolarHBondContact O-N 2.88Å; M59-G62 WeakPolarHBondContact O-CA 3.05Å; M59-G62 PolarHBondContact O-N 3.13Å; K60-G62 VanDerWaalsContact C-N 3.29Å; G62-P64 WeakPolarHBondContact O-CD 3.19Å
63	Y	98.3	Very high	98.3	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.024	25%	0.253	C	S	.	.			trans	-83.5	122.3	172	-69.5	-83.8	0	0	0	110.2	K39 V42 L58 H61 E187 L188	K39-Y63 HydrophobicContact CB-CD1 3.79Å; K39-Y63 HydrophobicContact CB-CE1 4.02Å; K39-Y63 HydrophobicContact CB-CG 4.42Å; K39-Y63 HydrophobicContact CD-CD1 3.82Å; K39-Y63 HydrophobicContact CD-CD2 4Å; K39-Y63 HydrophobicContact CD-CE1 3.62Å; K39-Y63 HydrophobicContact CD-CE2 3.78Å; K39-Y63 HydrophobicContact CD-CG 4Å; K39-Y63 HydrophobicContact CG-CD1 4.44Å; K39-Y63 HydrophobicContact CG-CE1 4.31Å; K39-Y63 PolarHBondContact NZ-OH 2.9Å; V42-Y63 HydrophobicContact CG2-CD1 3.63Å; V42-Y63 HydrophobicContact CG2-CE1 4.34Å; V42-Y63 HydrophobicContact CG2-CG 4.09Å; L58-Y63 HydrophobicContact CD2-CD2 4.19Å; L58-Y63 PolarHBondContact O-N 3.47Å; H61-Y63 HydrophobicContact CB-CD2 4.2Å; H61-Y63 HydrophobicContact CB-CE2 4.3Å; Y63-E187 PolarHBondContact OH-OE1 3.17Å; Y63-L188 HydrophobicContact CD1-CD2 4.13Å; Y63-L188 HydrophobicContact CE1-CD2 3.65Å; Y63-L188 HydrophobicContact CE2-CD2 4.18Å
64	P	98.3	Very high	98.2	Very high	39 Å²	39	48.8 Å²	48.8	25%	0.253	26%	0.262	S	S	.	.			trans	-63.7	143.1	165.1	-14.8	29.3	0	0	0	109.8	K39 P41 V42 G62	K39-P64 VanDerWaalsContact O-CD 3.23Å; K39-P64 WeakPolarHBondContact O-CD 3.47Å; K39-P64 WeakPolarHBondContact O-CG 3.42Å; P41-P64 CarbonylContact C-O 3.51Å; P41-P64 VanDerWaalsContact CA-O 3.3Å; P41-P64 WeakPolarHBondContact CA-O 3.47Å; V42-P64 PolarHBondContact N-O 2.92Å; G62-P64 WeakPolarHBondContact O-CD 3.19Å
65	L	98.8	Very high	98.2	Very high	3 Å²	3	49 Å²	49	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.6	-177.7	-61.1	-173.4	0	0	0	113.1	V42 A55 L58 M59 I67 E83 Q84	V42-L65 HydrophobicContact CB-CD2 3.92Å; V42-L65 HydrophobicContact CG1-CD2 4.44Å; V42-L65 VanDerWaalsContact O-CA 3.31Å; V42-L65 WeakPolarHBondContact O-CA 3.46Å; A55-L65 HydrophobicContact CB-CD1 3.82Å; A55-L65 WeakPolarHBondContact O-CD1 3.45Å; L58-L65 HydrophobicContact CB-CD2 4.07Å; L58-L65 HydrophobicContact CD1-CD2 4.17Å; M59-L65 HydrophobicContact CG-CD1 3.6Å; M59-L65 HydrophobicContact CG-CG 4.02Å; M59-L65 HydrophobicContact SD-CD1 4.16Å; L65-I67 HydrophobicContact CB-CD1 3.68Å; L65-I67 HydrophobicContact CB-CG1 4.05Å; L65-I67 HydrophobicContact CD1-CD1 3.89Å; L65-I67 HydrophobicContact CG-CD1 4.41Å; L65-E83 WeakPolarHBondContact CA-OE2 3.09Å; L65-E83 HydrophobicContact CB-CB 4.41Å; L65-E83 HydrophobicContact CB-CG 4.23Å; L65-E83 PolarHBondContact N-OE2 3.29Å; L65-Q84 PolarHBondContact O-N 3.2Å
66	I	98.9	Very high	98.1	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115	166.4	-62.9	149.7	0	0	0	107.6	P41 V42 G43 F44 Q84 V86 V92 K95 A96	P41-I66 HydrophobicContact CB-CD1 3.68Å; P41-I66 HydrophobicContact CB-CG1 4.39Å; V42-I66 PolarHBondContact O-N 2.79Å; G43-I66 CarbonylContact C-O 3.47Å; G43-I66 WeakPolarHBondContact CA-O 3.23Å; F44-I66 PolarHBondContact N-O 3.28Å; I66-Q84 CarbonylContact C-O 3.11Å; I66-Q84 WeakPolarHBondContact CA-O 3.35Å; I66-Q84 HydrophobicContact CG1-CB 4.36Å; I66-V86 HydrophobicContact CG2-CG1 3.82Å; I66-V86 HydrophobicContact CG2-CG2 4.05Å; I66-V92 HydrophobicContact CB-CG1 4.5Å; I66-V92 HydrophobicContact CG2-CB 4.31Å; I66-V92 HydrophobicContact CG2-CG1 4.2Å; I66-V92 HydrophobicContact CG2-CG2 4.23Å; I66-K95 HydrophobicContact CD1-CB 3.43Å; I66-K95 VanDerWaalsContact CD1-CB 3.43Å; I66-K95 WeakPolarHBondContact CD1-O 3.33Å; I66-K95 HydrophobicContact CG1-CB 4.32Å; I66-K95 HydrophobicContact CG2-CB 4.46Å; I66-A96 HydrophobicContact CD1-CB 3.82Å
67	I	98.8	Very high	98.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.1	-162	-63.2	-58.2	0	0	0	111.4	F44 L47 L65 C75 F78 E83 Q84 V85 V86	F44-I67 HydrophobicContact CB-CD1 3.74Å; F44-I67 WeakPolarHBondContact O-CA 3.15Å; L47-I67 HydrophobicContact CD1-CG2 3.3Å; L47-I67 HydrophobicContact CG-CG2 4.26Å; L65-I67 HydrophobicContact CB-CD1 3.68Å; L65-I67 HydrophobicContact CB-CG1 4.05Å; L65-I67 HydrophobicContact CD1-CD1 3.89Å; L65-I67 HydrophobicContact CG-CD1 4.41Å; I67-C75 HydrophobicContact CG2-CB 4.34Å; I67-F78 HydrophobicContact CD1-CD1 4.49Å; I67-F78 HydrophobicContact CG1-CB 4.12Å; I67-F78 HydrophobicContact CG1-CG 4.37Å; I67-E83 HydrophobicContact CG1-CB 4.33Å; I67-Q84 PolarHBondContact N-O 2.98Å; I67-V85 HydrophobicContact CB-CG2 4.25Å; I67-V85 HydrophobicContact CG2-CG2 4.37Å; I67-V85 WeakPolarHBondContact O-CA 3.39Å; I67-V86 WeakPolarHBondContact O-CG2 3.43Å; I67-V86 PolarHBondContact O-N 3.04Å
68	Y	98.9	Very high	98	Very high	49 Å²	49	55.5 Å²	55.5	19%	0.192	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.1	162.9	174.1	-93.2	0	0	0	111.4	F44 I45 G46 S87 P89	F44-Y68 PolarHBondContact O-N 2.91Å; I45-Y68 WeakPolarHBondContact CA-O 3.46Å; I45-Y68 HydrophobicContact CG2-CD1 4Å; G46-Y68 PolarHBondContact N-O 3.36Å; Y68-S87 VanDerWaalsContact CE2-O 3.29Å; Y68-S87 WeakPolarHBondContact CE2-O 3.31Å; Y68-P89 HydrophobicContact CD1-CG 3.85Å; Y68-P89 HydrophobicContact CE1-CG 3.68Å
69	D	98.8	Very high	98	Very high	24 Å²	24	61.1 Å²	61.1	13%	0.128	32%	0.319	C	S	.	.			trans	-140.1	149.8	161.7	-164.5	-70.7	0	0	0	107.9	G46 L47 F71 A74 C75	G46-D69 WeakPolarHBondContact CA-OD2 3.27Å; L47-D69 HydrophobicContact CB-CB 4.36Å; L47-D69 HydrophobicContact CD1-CB 4.47Å; L47-D69 HydrophobicContact CG-CB 4.44Å; L47-D69 PolarHBondContact N-OD2 3.18Å; D69-F71 PolarHBondContact O-N 3.01Å; D69-F71 WeakPolarHBondContact OD1-CB 3.37Å; D69-F71 PolarHBondContact OD1-N 3.42Å; D69-A74 HydrophobicContact CB-CB 4.26Å; D69-C75 PolarHBondContact N-SG 3.43Å
70	V	98.1	Very high	98	Very high	100 Å²	100	65.6 Å²	65.6	61%	0.606	34%	0.344	S	S	*	.	S	Bend	trans	-67.4	-23.2	175.8	70.4	0	0	0	0	111.9	P72	V70-P72 WeakPolarHBondContact O-CD 3.48Å
71	F	97.7	Very high	98	Very high	148 Å²	148	61.3 Å²	61.3	65%	0.649	34%	0.337	S	S	*	.	S	Bend	trans	-96.6	105.8	172.5	-67.5	-83.9	0	0	0	110.2	D69 D73 A74	D69-F71 PolarHBondContact O-N 3.01Å; D69-F71 WeakPolarHBondContact OD1-CB 3.37Å; D69-F71 PolarHBondContact OD1-N 3.42Å; F71-D73 PolarHBondContact O-N 3.15Å; F71-D73 VanDerWaalsContact O-N 3.11Å; F71-A74 HydrophobicContact CB-CB 4.47Å; F71-A74 WeakPolarHBondContact O-CB 3.48Å; F71-A74 PolarHBondContact O-N 3.47Å
72	P	96.7	Very high	98	Very high	99 Å²	99	60.2 Å²	60.2	64%	0.643	35%	0.35	S	S	*	.	H	α-helix	trans	-59.2	-31	-175.7	-25.1	35	0	0	0	113.8	V70 A74 C75	V70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-A74 PolarHBondContact O-N 2.76Å; P72-C75 WeakPolarHBondContact O-CB 3.4Å; P72-C75 PolarHBondContact O-N 3.17Å; P72-C75 VanDerWaalsContact O-N 3.09Å
73	D	97.8	Very high	98	Very high	116 Å²	116	59.6 Å²	59.6	62%	0.62	34%	0.335	S	S	*	.	H	α-helix	trans	-63	-29.4	178.6	-73.1	-21.5	0	0	0	112.9	F71 C75 K76	F71-D73 PolarHBondContact O-N 3.15Å; F71-D73 VanDerWaalsContact O-N 3.11Å; D73-C75 PolarHBondContact O-N 2.8Å; D73-K76 VanDerWaalsContact OD1-CE 3.24Å; D73-K76 WeakPolarHBondContact OD1-CE 3.31Å; D73-K76 IonicContact OD1-NZ 2.74Å; D73-K76 PolarHBondContact OD1-NZ 2.84Å
74	A	96.9	Very high	98	Very high	32 Å²	32	63.6 Å²	63.6	26%	0.264	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-21.8	176.8	0	0	0	0	0	112.7	L47 D69 F71 P72	L47-A74 HydrophobicContact CB-CB 4.19Å; D69-A74 HydrophobicContact CB-CB 4.26Å; F71-A74 HydrophobicContact CB-CB 4.47Å; F71-A74 WeakPolarHBondContact O-CB 3.48Å; F71-A74 PolarHBondContact O-N 3.47Å; P72-A74 PolarHBondContact O-N 2.76Å
75	C	98.3	Very high	98	Very high	6 Å²	6	64.1 Å²	64.1	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-86.7	-22.3	-178.5	-60	0	0	0	0	113.6	I67 D69 P72 D73 E77 F78 Q79 V85	I67-C75 HydrophobicContact CG2-CB 4.34Å; D69-C75 PolarHBondContact N-SG 3.43Å; P72-C75 WeakPolarHBondContact O-CB 3.4Å; P72-C75 PolarHBondContact O-N 3.17Å; P72-C75 VanDerWaalsContact O-N 3.09Å; D73-C75 PolarHBondContact O-N 2.8Å; C75-E77 VanDerWaalsContact C-N 3.28Å; C75-E77 PolarHBondContact O-N 2.89Å; C75-F78 PolarHBondContact O-N 3.47Å; C75-Q79 PolarHBondContact O-N 2.93Å; C75-V85 HydrophobicContact CB-CG1 3.73Å; C75-V85 HydrophobicContact CB-CG2 3.96Å
76	K	97.5	Very high	98	Very high	111 Å²	111	65 Å²	65	48%	0.483	36%	0.362	S	S	.	.	H	α-helix	trans	-53.7	-44.2	-172.6	-73.6	176.8	172.9	165.7	0	112.8	D73 F78 Q79 D80	D73-K76 VanDerWaalsContact OD1-CE 3.24Å; D73-K76 WeakPolarHBondContact OD1-CE 3.31Å; D73-K76 IonicContact OD1-NZ 2.74Å; D73-K76 PolarHBondContact OD1-NZ 2.84Å; K76-F78 VanDerWaalsContact C-N 3.26Å; K76-F78 PolarHBondContact O-N 3.18Å; K76-Q79 WeakPolarHBondContact O-CB 3.35Å; K76-Q79 PolarHBondContact O-N 2.88Å; K76-D80 VanDerWaalsContact O-CG 3.25Å; K76-D80 PolarHBondContact O-N 3Å
77	E	97	Very high	98	Very high	93 Å²	93	69.4 Å²	69.4	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-36.9	179.2	-175.6	179.3	-159	0	0	113	N52 K56 C75 A81	N52-E77 PolarHBondContact ND2-OE2 2.79Å; K56-E77 WeakPolarHBondContact CE-OE1 3.37Å; K56-E77 VanDerWaalsContact CE-OE2 3.27Å; K56-E77 WeakPolarHBondContact CE-OE2 3.5Å; K56-E77 IonicContact NZ-OE1 3.43Å; K56-E77 PolarHBondContact NZ-OE1 3.28Å; K56-E77 IonicContact NZ-OE2 2.67Å; K56-E77 PolarHBondContact NZ-OE2 2.88Å; C75-E77 VanDerWaalsContact C-N 3.28Å; C75-E77 PolarHBondContact O-N 2.89Å; E77-A81 WeakPolarHBondContact O-CB 3.34Å; E77-A81 PolarHBondContact O-N 3.08Å
78	F	98.4	Very high	98	Very high	1 Å²	1	69.9 Å²	69.9	0%	0.004	40%	0.397	C	S	.	.	H	α-helix	trans	-78.5	-36.8	178.9	-65.5	-85.9	0	0	0	111.7	L47 N52 A55 K56 M59 I67 C75 K76 A81 G82 E83	L47-F78 HydrophobicContact CB-CE2 4.46Å; L47-F78 HydrophobicContact CD1-CD2 3.52Å; L47-F78 HydrophobicContact CD1-CE2 3.57Å; L47-F78 HydrophobicContact CD1-CG 4.44Å; L47-F78 HydrophobicContact CD2-CD2 4.38Å; L47-F78 HydrophobicContact CD2-CE2 3.76Å; L47-F78 HydrophobicContact CD2-CZ 3.96Å; L47-F78 HydrophobicContact CG-CE2 4.15Å; N52-F78 HydrophobicContact CB-CE2 4.47Å; N52-F78 HydrophobicContact CB-CZ 4.41Å; N52-F78 WeakPolarHBondContact ND2-CE2 3.48Å; A55-F78 HydrophobicContact CB-CE1 3.61Å; A55-F78 HydrophobicContact CB-CZ 3.77Å; K56-F78 HydrophobicContact CG-CE1 3.94Å; K56-F78 HydrophobicContact CG-CZ 4.13Å; M59-F78 HydrophobicContact SD-CD1 3.64Å; M59-F78 HydrophobicContact SD-CE1 3.76Å; I67-F78 HydrophobicContact CD1-CD1 4.49Å; I67-F78 HydrophobicContact CG1-CB 4.12Å; I67-F78 HydrophobicContact CG1-CG 4.37Å; C75-F78 PolarHBondContact O-N 3.47Å; K76-F78 VanDerWaalsContact C-N 3.26Å; K76-F78 PolarHBondContact O-N 3.18Å; F78-A81 CarbonylContact O-C 3.54Å; F78-A81 PolarHBondContact O-N 3.31Å; F78-G82 PolarHBondContact O-N 2.84Å; F78-E83 HydrophobicContact CB-CB 4.17Å; F78-E83 HydrophobicContact CB-CG 4.41Å; F78-E83 WeakPolarHBondContact O-CB 3.45Å; F78-E83 PolarHBondContact O-N 2.82Å
79	Q	97.9	Very high	98	Very high	118 Å²	118	68 Å²	68	55%	0.551	39%	0.39	S	S	*	.	H	α-helix	trans	-60.5	-45.8	173.5	-170.3	175	5.7	0	0	111.5	C75 K76 A81 G82 V85	C75-Q79 PolarHBondContact O-N 2.93Å; K76-Q79 WeakPolarHBondContact O-CB 3.35Å; K76-Q79 PolarHBondContact O-N 2.88Å; Q79-A81 PolarHBondContact O-N 3.22Å; Q79-G82 PolarHBondContact O-N 2.87Å; Q79-V85 HydrophobicContact CB-CG2 3.81Å; Q79-V85 HydrophobicContact CG-CG2 4.39Å
80	D	98	Very high	98	Very high	141 Å²	141	67 Å²	67	75%	0.754	39%	0.385	S	S	*	.	H	α-helix	trans	-65.2	-26.9	178.1	-66.8	-20.6	0	0	0	112.1	K76 G82	K76-D80 VanDerWaalsContact O-CG 3.25Å; K76-D80 PolarHBondContact O-N 3Å; D80-G82 VanDerWaalsContact C-N 3.27Å; D80-G82 PolarHBondContact O-N 3.33Å
81	A	97.3	Very high	98.1	Very high	60 Å²	60	63.4 Å²	63.4	50%	0.496	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.2	173.6	0	0	0	0	0	114	M59 E77 F78 Q79	M59-A81 HydrophobicContact CE-CB 3.78Å; E77-A81 WeakPolarHBondContact O-CB 3.34Å; E77-A81 PolarHBondContact O-N 3.08Å; F78-A81 CarbonylContact O-C 3.54Å; F78-A81 PolarHBondContact O-N 3.31Å; Q79-A81 PolarHBondContact O-N 3.22Å
82	G	97.6	Very high	98.1	Very high	68 Å²	68	56.4 Å²	56.4	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	7.2	177.1	0	0	0	0	0	115.3	F78 Q79 D80	F78-G82 PolarHBondContact O-N 2.84Å; Q79-G82 PolarHBondContact O-N 2.87Å; D80-G82 VanDerWaalsContact C-N 3.27Å; D80-G82 PolarHBondContact O-N 3.33Å
83	E	98.5	Very high	98.2	Very high	32 Å²	32	51.7 Å²	51.7	15%	0.15	30%	0.301	C	S	.	.			trans	-78.6	152.2	175.8	-56.1	-59.3	165.7	0	0	111.7	M59 L65 I67 F78 V85	M59-E83 HydrophobicContact CE-CG 3.77Å; M59-E83 WeakPolarHBondContact CE-OE1 3.49Å; M59-E83 HydrophobicContact CG-CG 4.48Å; M59-E83 WeakPolarHBondContact CG-OE1 3.26Å; M59-E83 HydrophobicContact SD-CG 4.07Å; L65-E83 WeakPolarHBondContact CA-OE2 3.09Å; L65-E83 HydrophobicContact CB-CB 4.41Å; L65-E83 HydrophobicContact CB-CG 4.23Å; L65-E83 PolarHBondContact N-OE2 3.29Å; I67-E83 HydrophobicContact CG1-CB 4.33Å; F78-E83 HydrophobicContact CB-CB 4.17Å; F78-E83 HydrophobicContact CB-CG 4.41Å; F78-E83 WeakPolarHBondContact O-CB 3.45Å; F78-E83 PolarHBondContact O-N 2.82Å; E83-V85 PolarHBondContact O-N 2.97Å
84	Q	98.5	Very high	98.2	Very high	90 Å²	90	50.5 Å²	50.5	42%	0.421	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.4	-178.7	-178.6	170	4.4	0	0	111	L65 I66 I67 V86 K95	L65-Q84 PolarHBondContact O-N 3.2Å; I66-Q84 CarbonylContact C-O 3.11Å; I66-Q84 WeakPolarHBondContact CA-O 3.35Å; I66-Q84 HydrophobicContact CG1-CB 4.36Å; I67-Q84 PolarHBondContact N-O 2.98Å; Q84-V86 HydrophobicContact CG-CG1 4.15Å; Q84-K95 VanDerWaalsContact NE2-CE 3.34Å
85	V	98.8	Very high	98.3	Very high	51 Å²	51	53.2 Å²	53.2	31%	0.309	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.6	170.7	-176.3	0	0	0	0	110.1	I67 C75 Q79 E83	I67-V85 HydrophobicContact CB-CG2 4.25Å; I67-V85 HydrophobicContact CG2-CG2 4.37Å; I67-V85 WeakPolarHBondContact O-CA 3.39Å; C75-V85 HydrophobicContact CB-CG1 3.73Å; C75-V85 HydrophobicContact CB-CG2 3.96Å; Q79-V85 HydrophobicContact CB-CG2 3.81Å; Q79-V85 HydrophobicContact CG-CG2 4.39Å; E83-V85 PolarHBondContact O-N 2.97Å
86	V	98.8	Very high	98.3	Very high	21 Å²	21	53 Å²	53	13%	0.127	30%	0.296	C	S	.	.			trans	-121.2	170.8	179.9	-61.6	0	0	0	0	112.2	I66 I67 Q84 D91 V92 K95	I66-V86 HydrophobicContact CG2-CG1 3.82Å; I66-V86 HydrophobicContact CG2-CG2 4.05Å; I67-V86 WeakPolarHBondContact O-CG2 3.43Å; I67-V86 PolarHBondContact O-N 3.04Å; Q84-V86 HydrophobicContact CG-CG1 4.15Å; V86-D91 HydrophobicContact CB-CB 3.78Å; V86-D91 HydrophobicContact CG1-CB 4.36Å; V86-D91 HydrophobicContact CG2-CB 3.94Å; V86-V92 HydrophobicContact CG2-CB 4.36Å; V86-V92 HydrophobicContact CG2-CG2 3.39Å; V86-K95 HydrophobicContact CG1-CD 4.13Å
87	S	98.2	Very high	98.3	Very high	98 Å²	98	51.6 Å²	51.6	69%	0.685	29%	0.294	S	S	*	.	S	Bend	trans	-86.6	-15.4	-172	33.5	0	0	0	0	115.6	Y68 D91	Y68-S87 VanDerWaalsContact CE2-O 3.29Å; Y68-S87 WeakPolarHBondContact CE2-O 3.31Å; S87-D91 PolarHBondContact OG-OD2 3.46Å
88	S	98.9	Very high	98.4	Very high	10 Å²	10	49 Å²	49	7%	0.07	28%	0.28	C	S	.	.	S	Bend	trans	-158.4	162	-177.2	68.5	0	0	0	0	113.3	A90 D91 V92	S88-A90 VanDerWaalsContact C-N 3.25Å; S88-A90 PolarHBondContact O-N 2.83Å; S88-D91 PolarHBondContact N-OD2 3.21Å; S88-D91 PolarHBondContact O-N 3.39Å; S88-D91 VanDerWaalsContact O-N 3.09Å; S88-D91 PolarHBondContact OG-N 2.79Å; S88-D91 PolarHBondContact OG-OD1 3.31Å; S88-D91 PolarHBondContact OG-OD2 2.9Å; S88-V92 PolarHBondContact O-N 3.05Å
89	P	98.9	Very high	98.4	Very high	9 Å²	9	49 Å²	49	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-36.4	169.6	-27.3	36.4	0	0	0	113.7	I45 Y68 D91 V92 A93 A112 N117 I119	I45-P89 HydrophobicContact CD1-CB 3.94Å; Y68-P89 HydrophobicContact CD1-CG 3.85Å; Y68-P89 HydrophobicContact CE1-CG 3.68Å; P89-D91 VanDerWaalsContact C-N 3.33Å; P89-D91 PolarHBondContact O-N 2.94Å; P89-V92 WeakPolarHBondContact O-CB 3.43Å; P89-V92 PolarHBondContact O-N 3.11Å; P89-A93 PolarHBondContact O-N 3.04Å; P89-A93 VanDerWaalsContact O-N 3.14Å; P89-A112 VanDerWaalsContact CB-O 3.32Å; P89-A112 WeakPolarHBondContact CB-O 3.41Å; P89-A112 HydrophobicContact CG-CB 4.47Å; P89-N117 WeakPolarHBondContact CD-O 3.35Å; P89-I119 HydrophobicContact CB-CG1 3.93Å
90	A	98.9	Very high	98.5	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-42.5	173.8	0	0	0	0	0	111.8	S88 V92 A93 E94 N117 G118 K121 K122	S88-A90 VanDerWaalsContact C-N 3.25Å; S88-A90 PolarHBondContact O-N 2.83Å; A90-V92 VanDerWaalsContact C-N 3.25Å; A90-V92 PolarHBondContact O-N 3.44Å; A90-A93 PolarHBondContact O-N 3.34Å; A90-A93 VanDerWaalsContact O-N 3.11Å; A90-E94 PolarHBondContact O-N 2.73Å; A90-N117 WeakPolarHBondContact CB-O 3.48Å; A90-N117 PolarHBondContact N-O 3.43Å; A90-G118 WeakPolarHBondContact CB-O 3.49Å; A90-K121 HydrophobicContact CB-CB 4.16Å; A90-K122 HydrophobicContact CB-CB 4.4Å; A90-K122 HydrophobicContact CB-CD 4.04Å; A90-K122 HydrophobicContact CB-CG 4.07Å; A90-K122 WeakPolarHBondContact O-CB 3.34Å
91	D	98.8	Very high	98.5	Very high	25 Å²	25	36.6 Å²	36.6	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-25.4	-179.6	-57.4	-33.5	0	0	0	112.3	V86 S87 S88 P89 K122	V86-D91 HydrophobicContact CB-CB 3.78Å; V86-D91 HydrophobicContact CG1-CB 4.36Å; V86-D91 HydrophobicContact CG2-CB 3.94Å; S87-D91 PolarHBondContact OG-OD2 3.46Å; S88-D91 PolarHBondContact N-OD2 3.21Å; S88-D91 PolarHBondContact O-N 3.39Å; S88-D91 VanDerWaalsContact O-N 3.09Å; S88-D91 PolarHBondContact OG-N 2.79Å; S88-D91 PolarHBondContact OG-OD1 3.31Å; S88-D91 PolarHBondContact OG-OD2 2.9Å; P89-D91 VanDerWaalsContact C-N 3.33Å; P89-D91 PolarHBondContact O-N 2.94Å; D91-K122 IonicContact OD1-NZ 2.92Å; D91-K122 PolarHBondContact OD1-NZ 3.01Å
92	V	98.9	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-50	168.1	180	0	0	0	0	109.4	I45 I66 V86 S88 P89 A90 E94 K95 A96 I99	I45-V92 HydrophobicContact CD1-CB 4.2Å; I45-V92 HydrophobicContact CD1-CG1 4.26Å; I45-V92 HydrophobicContact CD1-CG2 4.25Å; I45-V92 HydrophobicContact CG1-CB 4.38Å; I45-V92 HydrophobicContact CG1-CG1 4.26Å; I45-V92 HydrophobicContact CG1-CG2 4Å; I66-V92 HydrophobicContact CB-CG1 4.5Å; I66-V92 HydrophobicContact CG2-CB 4.31Å; I66-V92 HydrophobicContact CG2-CG1 4.2Å; I66-V92 HydrophobicContact CG2-CG2 4.23Å; V86-V92 HydrophobicContact CG2-CB 4.36Å; V86-V92 HydrophobicContact CG2-CG2 3.39Å; S88-V92 PolarHBondContact O-N 3.05Å; P89-V92 WeakPolarHBondContact O-CB 3.43Å; P89-V92 PolarHBondContact O-N 3.11Å; A90-V92 VanDerWaalsContact C-N 3.25Å; A90-V92 PolarHBondContact O-N 3.44Å; V92-E94 VanDerWaalsContact C-N 3.29Å; V92-E94 PolarHBondContact O-N 2.98Å; V92-K95 PolarHBondContact O-N 2.86Å; V92-A96 HydrophobicContact CG1-CB 4.5Å; V92-A96 PolarHBondContact O-N 3.35Å; V92-I99 HydrophobicContact CG1-CD1 4.32Å; V92-I99 HydrophobicContact CG1-CG1 4.4Å; V92-I99 HydrophobicContact CG1-CG2 4.1Å
93	A	98.8	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-27.3	-177	0	0	0	0	0	114.2	P89 A90 K95 I99 I119 V123	P89-A93 PolarHBondContact O-N 3.04Å; P89-A93 VanDerWaalsContact O-N 3.14Å; A90-A93 PolarHBondContact O-N 3.34Å; A90-A93 VanDerWaalsContact O-N 3.11Å; A93-K95 PolarHBondContact O-N 2.95Å; A93-I99 HydrophobicContact CB-CD1 3.68Å; A93-I119 HydrophobicContact CB-CB 4.46Å; A93-I119 HydrophobicContact CB-CG2 3.92Å; A93-V123 HydrophobicContact CB-CB 4.41Å
94	E	98.6	Very high	98.4	Very high	91 Å²	91	35.5 Å²	35.5	43%	0.425	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-31.1	172.1	-170.3	176.3	174.3	0	0	112.2	A90 V92 K122 K124	A90-E94 PolarHBondContact O-N 2.73Å; V92-E94 VanDerWaalsContact C-N 3.29Å; V92-E94 PolarHBondContact O-N 2.98Å; E94-K122 HydrophobicContact CB-CB 4.18Å; E94-K122 HydrophobicContact CB-CD 3.84Å; E94-K122 HydrophobicContact CG-CD 4.23Å; E94-K122 WeakPolarHBondContact OE2-CD 3.24Å; E94-K122 IonicContact OE2-NZ 2.65Å; E94-K122 PolarHBondContact OE2-NZ 2.93Å; E94-K124 WeakPolarHBondContact O-CE 3.38Å; E94-K124 PolarHBondContact O-NZ 2.88Å; E94-K124 VanDerWaalsContact O-NZ 3.13Å
95	K	98.5	Very high	98.2	Very high	89 Å²	89	33.3 Å²	33.3	39%	0.387	19%	0.186	S	C	.	.	H	α-helix	trans	-110.2	-21.3	-169	-63.1	178.8	-172.2	-64.4	0	113.8	I66 Q84 V86 V92 A93	I66-K95 HydrophobicContact CD1-CB 3.43Å; I66-K95 VanDerWaalsContact CD1-CB 3.43Å; I66-K95 WeakPolarHBondContact CD1-O 3.33Å; I66-K95 HydrophobicContact CG1-CB 4.32Å; I66-K95 HydrophobicContact CG2-CB 4.46Å; Q84-K95 VanDerWaalsContact NE2-CE 3.34Å; V86-K95 HydrophobicContact CG1-CD 4.13Å; V92-K95 PolarHBondContact O-N 2.86Å; A93-K95 PolarHBondContact O-N 2.95Å
96	A	98.4	Very high	98.1	Very high	1 Å²	1	32 Å²	32	1%	0.008	18%	0.179	C	C	.	.			trans	-121.4	136.2	-179.8	0	0	0	0	0	111.8	I66 V92 I99	I66-A96 HydrophobicContact CD1-CB 3.82Å; V92-A96 HydrophobicContact CG1-CB 4.5Å; V92-A96 PolarHBondContact O-N 3.35Å; A96-I99 HydrophobicContact CB-CG1 4.25Å
97	D	97.3	Very high	98.1	Very high	83 Å²	83	37 Å²	37	44%	0.444	20%	0.203	S	C	.	.	S	Bend	trans	-95.7	-10.5	178.6	-53.2	-16.4	0	0	0	111.6	K124 S127 L128	D97-K124 VanDerWaalsContact OD1-CD 3.29Å; D97-K124 WeakPolarHBondContact OD1-CD 3.31Å; D97-K124 WeakPolarHBondContact OD1-CE 3.36Å; D97-K124 IonicContact OD1-NZ 2.88Å; D97-K124 PolarHBondContact OD1-NZ 3.23Å; D97-S127 CarbonylContact O-C 3.55Å; D97-S127 WeakPolarHBondContact O-CA 3.39Å; D97-S127 WeakPolarHBondContact O-CB 3.3Å; D97-S127 PolarHBondContact O-OG 3.1Å; D97-L128 PolarHBondContact O-N 2.98Å
98	R	98.7	Very high	98.1	Very high	37 Å²	37	35.3 Å²	35.3	14%	0.14	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.3	174.6	-53.4	173.8	82.1	178.3	4.3	107.9	V42 G43 L128 A184 E187 L188	V42-R98 WeakPolarHBondContact CA-O 3.32Å; G43-R98 PolarHBondContact N-O 3.09Å; R98-L128 CarbonylContact C-O 3.59Å; R98-L128 VanDerWaalsContact CA-O 3.26Å; R98-L128 WeakPolarHBondContact CA-O 3.4Å; R98-L128 HydrophobicContact CG-CB 4.33Å; R98-A184 PolarHBondContact NH2-O 2.76Å; R98-E187 IonicContact CZ-OE2 2.74Å; R98-E187 IonicContact NH1-OE1 2.63Å; R98-E187 IonicContact NH1-OE2 2.8Å; R98-E187 PolarHBondContact NH1-OE2 3.45Å; R98-E187 IonicContact NH2-OE2 3.62Å; R98-E187 PolarHBondContact NH2-OE2 3.08Å; R98-L188 HydrophobicContact CB-CD1 3.95Å; R98-L188 VanDerWaalsContact NE-CD1 3.33Å
99	I	98.9	Very high	98.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134	-171.9	-49.4	176.1	0	0	0	109.9	G43 I45 V92 A93 A96 I119 L128 L129 I130	G43-I99 CarbonylContact O-C 3.59Å; G43-I99 WeakPolarHBondContact O-CA 3.34Å; I45-I99 HydrophobicContact CD1-CG2 3.77Å; I45-I99 HydrophobicContact CG1-CG2 4.24Å; V92-I99 HydrophobicContact CG1-CD1 4.32Å; V92-I99 HydrophobicContact CG1-CG1 4.4Å; V92-I99 HydrophobicContact CG1-CG2 4.1Å; A93-I99 HydrophobicContact CB-CD1 3.68Å; A96-I99 HydrophobicContact CB-CG1 4.25Å; I99-I119 HydrophobicContact CD1-CG2 4.06Å; I99-L128 PolarHBondContact N-O 2.92Å; I99-L129 HydrophobicContact CB-CD2 3.77Å; I99-L129 HydrophobicContact CD1-CD2 3.63Å; I99-L129 HydrophobicContact CG1-CD2 3.81Å; I99-I130 PolarHBondContact O-N 2.84Å
100	I	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.5	172.4	-64.7	156.3	0	0	0	109.2	V42 G43 F44 I45 L58 I130 M192	V42-I100 HydrophobicContact CG1-CD1 4.11Å; G43-I100 PolarHBondContact O-N 2.78Å; F44-I100 WeakPolarHBondContact CA-O 3.38Å; F44-I100 HydrophobicContact CD2-CB 4.04Å; F44-I100 HydrophobicContact CD2-CD1 4.41Å; F44-I100 HydrophobicContact CD2-CG2 4.23Å; F44-I100 HydrophobicContact CE2-CB 4.06Å; F44-I100 HydrophobicContact CE2-CD1 4.33Å; F44-I100 HydrophobicContact CE2-CG2 3.75Å; F44-I100 HydrophobicContact CZ-CG2 4.01Å; I45-I100 PolarHBondContact N-O 3.18Å; L58-I100 HydrophobicContact CD1-CD1 3.76Å; I100-I130 VanDerWaalsContact CA-O 3.3Å; I100-I130 WeakPolarHBondContact CA-O 3.36Å; I100-I130 HydrophobicContact CG1-CB 4.29Å; I100-M192 HydrophobicContact CD1-CE 3.63Å; I100-M192 HydrophobicContact CD1-SD 4.38Å
101	T	98.9	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.2	170.7	48.3	0	0	0	0	110.5	I45 L103 Y113 I119 I130 D131 S132 S133	I45-T101 HydrophobicContact CB-CG2 3.81Å; I45-T101 HydrophobicContact CD1-CG2 4.05Å; I45-T101 HydrophobicContact CG1-CG2 4.45Å; I45-T101 HydrophobicContact CG2-CG2 4.09Å; I45-T101 WeakPolarHBondContact O-CA 3.28Å; T101-L103 HydrophobicContact CG2-CD1 4.38Å; T101-Y113 HydrophobicContact CG2-CE2 3.66Å; T101-Y113 WeakPolarHBondContact OG1-CE2 3.37Å; T101-Y113 PolarHBondContact OG1-OH 3.08Å; T101-I119 HydrophobicContact CG2-CD1 3.75Å; T101-I130 PolarHBondContact N-O 3Å; T101-D131 VanDerWaalsContact OG1-CA 3.28Å; T101-D131 WeakPolarHBondContact OG1-CA 3.45Å; T101-D131 WeakPolarHBondContact OG1-CB 3.49Å; T101-D131 PolarHBondContact OG1-OD1 3.17Å; T101-S132 WeakPolarHBondContact O-CA 3.39Å; T101-S132 PolarHBondContact O-N 3.16Å; T101-S133 PolarHBondContact O-N 2.98Å
102	M	98.8	Very high	98.1	Very high	28 Å²	28	42.1 Å²	42.1	14%	0.138	22%	0.218	C	C	.	.			trans	-135.9	83.8	178.3	-171.1	58.6	-174.7	0	0	110.8	F44 I45 M50 M54 V159	F44-M102 HydrophobicContact CE1-CB 4.11Å; F44-M102 HydrophobicContact CZ-CB 4.36Å; I45-M102 PolarHBondContact O-N 2.73Å; M50-M102 HydrophobicContact CB-CE 3.42Å; M50-M102 VanDerWaalsContact CB-CE 3.42Å; M50-M102 HydrophobicContact CB-CG 4.14Å; M50-M102 HydrophobicContact CG-CE 3.8Å; M54-M102 HydrophobicContact CE-CG 4.36Å; M54-M102 HydrophobicContact CE-SD 4.23Å; M54-M102 HydrophobicContact SD-CE 4.32Å; M54-M102 HydrophobicContact SD-CG 4.07Å; M54-M102 HydrophobicContact SD-SD 4.2Å; M102-V159 HydrophobicContact CE-CG2 3.62Å
103	L	98.4	Very high	98.1	Very high	27 Å²	27	42.1 Å²	42.1	14%	0.141	22%	0.218	C	C	.	.			trans	-118.7	156.5	-163.9	-58.2	167.4	0	0	0	112.6	I45 T101 N108 A109 A112 S133	I45-L103 HydrophobicContact CG2-CD2 4.32Å; T101-L103 HydrophobicContact CG2-CD1 4.38Å; L103-N108 HydrophobicContact CB-CB 4.04Å; L103-A109 HydrophobicContact CD1-CB 4.45Å; L103-A112 HydrophobicContact CD1-CB 3.49Å; L103-A112 VanDerWaalsContact CD1-CB 3.49Å; L103-S133 WeakPolarHBondContact CB-OG 3.44Å; L103-S133 PolarHBondContact N-OG 3.23Å; L103-S133 WeakPolarHBondContact O-CB 3.48Å
104	P	93.8	Very high	98.1	Very high	82 Å²	82	44.4 Å²	44.4	53%	0.532	23%	0.234	S	C	.	.	S	Bend	trans	-72.2	-33.7	-170.2	-21.3	34.3	0	0	0	115.2
105	T	94.2	Very high	98.1	Very high	44 Å²	44	40.3 Å²	40.3	27%	0.27	22%	0.217	S	C	.	.	S	Bend	trans	-146.9	165.5	-170.2	70.9	0	0	0	0	112.8	I107 N108 A109	T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.5Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.2Å; T105-N108 PolarHBondContact N-OD1 3.3Å; T105-N108 PolarHBondContact O-N 3.21Å; T105-N108 VanDerWaalsContact O-N 3.11Å; T105-N108 PolarHBondContact OG1-N 3Å; T105-N108 PolarHBondContact OG1-OD1 3.32Å; T105-A109 PolarHBondContact O-N 3.2Å
106	S	97.1	Very high	98.1	Very high	24 Å²	24	39.9 Å²	39.9	17%	0.168	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-41.5	175.5	-51.1	0	0	0	0	112.7	N108 A109 I110 D136	S106-N108 VanDerWaalsContact C-N 3.3Å; S106-N108 PolarHBondContact O-N 2.97Å; S106-A109 PolarHBondContact O-N 3.39Å; S106-I110 VanDerWaalsContact O-CG1 3.28Å; S106-I110 WeakPolarHBondContact O-CG1 3.26Å; S106-I110 PolarHBondContact O-N 2.62Å; S106-D136 PolarHBondContact OG-N 3.35Å
107	I	97.9	Very high	98.1	Very high	124 Å²	124	45 Å²	45	64%	0.636	26%	0.257	S	S	*	.	H	α-helix	trans	-65.9	-34.6	179	59	166.7	0	0	0	112	T105 E111	T105-I107 VanDerWaalsContact C-N 3.3Å; T105-I107 PolarHBondContact O-N 3.5Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.2Å; I107-E111 WeakPolarHBondContact O-CB 3.23Å; I107-E111 PolarHBondContact O-N 2.79Å
108	N	98.6	Very high	98.2	Very high	63 Å²	63	41.1 Å²	41.1	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-70	-40.2	176.7	-58.5	124.3	0	0	0	110.8	L103 T105 S106 E111 A112	L103-N108 HydrophobicContact CB-CB 4.04Å; T105-N108 PolarHBondContact N-OD1 3.3Å; T105-N108 PolarHBondContact O-N 3.21Å; T105-N108 VanDerWaalsContact O-N 3.11Å; T105-N108 PolarHBondContact OG1-N 3Å; T105-N108 PolarHBondContact OG1-OD1 3.32Å; S106-N108 VanDerWaalsContact C-N 3.3Å; S106-N108 PolarHBondContact O-N 2.97Å; N108-E111 PolarHBondContact O-N 3.28Å; N108-A112 WeakPolarHBondContact O-CB 3.37Å; N108-A112 PolarHBondContact O-N 3.32Å
109	A	98.8	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-50.6	173	0	0	0	0	0	110.8	L103 T105 S106 E111 A112 Y113 I135 L143	L103-A109 HydrophobicContact CD1-CB 4.45Å; T105-A109 PolarHBondContact O-N 3.2Å; S106-A109 PolarHBondContact O-N 3.39Å; A109-E111 VanDerWaalsContact C-N 3.32Å; A109-E111 PolarHBondContact O-N 3.09Å; A109-A112 PolarHBondContact O-N 2.87Å; A109-Y113 VanDerWaalsContact O-CD2 3.26Å; A109-Y113 WeakPolarHBondContact O-CD2 3.31Å; A109-Y113 PolarHBondContact O-N 3.11Å; A109-I135 HydrophobicContact CB-CD1 4.28Å; A109-I135 HydrophobicContact CB-CG2 4.14Å; A109-L143 HydrophobicContact CB-CD1 4.32Å
110	I	98.8	Very high	98.2	Very high	64 Å²	64	40.2 Å²	40.2	33%	0.328	23%	0.234	S	C	.	.	H	α-helix	trans	-57.3	-45.3	177.7	-65	162.4	0	0	0	111.3	S106 Y113 S114 V139	S106-I110 VanDerWaalsContact O-CG1 3.28Å; S106-I110 WeakPolarHBondContact O-CG1 3.26Å; S106-I110 PolarHBondContact O-N 2.62Å; I110-Y113 PolarHBondContact O-N 3.37Å; I110-S114 WeakPolarHBondContact O-CA 3.36Å; I110-S114 WeakPolarHBondContact O-CB 3.37Å; I110-S114 PolarHBondContact O-N 2.88Å; I110-V139 HydrophobicContact CD1-CG1 3.72Å; I110-V139 HydrophobicContact CD1-CG2 4.33Å; I110-V139 HydrophobicContact CG1-CG1 3.61Å
111	E	98.8	Very high	98.2	Very high	118 Å²	118	46.2 Å²	46.2	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-64.4	-42.6	178.5	-176.9	57.9	-153	0	0	112.2	I107 N108 A109 Y113 G115	I107-E111 WeakPolarHBondContact O-CB 3.23Å; I107-E111 PolarHBondContact O-N 2.79Å; N108-E111 PolarHBondContact O-N 3.28Å; A109-E111 VanDerWaalsContact C-N 3.32Å; A109-E111 PolarHBondContact O-N 3.09Å; E111-Y113 VanDerWaalsContact C-N 3.29Å; E111-Y113 PolarHBondContact O-N 2.8Å; E111-G115 WeakPolarHBondContact O-CA 3.31Å; E111-G115 PolarHBondContact O-N 3.37Å; E111-G115 WeakPolarHBondContact OE1-CA 3.38Å
112	A	98.9	Very high	98.1	Very high	9 Å²	9	50.1 Å²	50.1	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-33.8	179.2	0	0	0	0	0	112.8	I45 P89 L103 N108 A109 G118 I119	I45-A112 HydrophobicContact CG2-CB 4.38Å; P89-A112 VanDerWaalsContact CB-O 3.32Å; P89-A112 WeakPolarHBondContact CB-O 3.41Å; P89-A112 HydrophobicContact CG-CB 4.47Å; L103-A112 HydrophobicContact CD1-CB 3.49Å; L103-A112 VanDerWaalsContact CD1-CB 3.49Å; N108-A112 WeakPolarHBondContact O-CB 3.37Å; N108-A112 PolarHBondContact O-N 3.32Å; A109-A112 PolarHBondContact O-N 2.87Å; A112-G118 CarbonylContact O-C 3.53Å; A112-G118 WeakPolarHBondContact O-CA 3.43Å; A112-I119 WeakPolarHBondContact O-CG1 3.3Å; A112-I119 PolarHBondContact O-N 3.27Å
113	Y	98.9	Very high	98.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-86.7	-53.3	178.3	-79.7	-100.5	0	0	0	112.5	T101 A109 I110 E111 G118 I119 L120 L129 D131 L143 V147 F154	T101-Y113 HydrophobicContact CG2-CE2 3.66Å; T101-Y113 WeakPolarHBondContact OG1-CE2 3.37Å; T101-Y113 PolarHBondContact OG1-OH 3.08Å; A109-Y113 VanDerWaalsContact O-CD2 3.26Å; A109-Y113 WeakPolarHBondContact O-CD2 3.31Å; A109-Y113 PolarHBondContact O-N 3.11Å; I110-Y113 PolarHBondContact O-N 3.37Å; E111-Y113 VanDerWaalsContact C-N 3.29Å; E111-Y113 PolarHBondContact O-N 2.8Å; Y113-G118 CarbonylContact O-C 3.6Å; Y113-G118 WeakPolarHBondContact O-CA 3.28Å; Y113-I119 HydrophobicContact CD1-CB 4.44Å; Y113-I119 HydrophobicContact CD1-CD1 3.93Å; Y113-I119 HydrophobicContact CD2-CD1 3.98Å; Y113-I119 HydrophobicContact CE1-CD1 3.87Å; Y113-I119 HydrophobicContact CE2-CD1 3.95Å; Y113-I119 HydrophobicContact CG-CD1 3.98Å; Y113-I119 PolarHBondContact O-N 2.9Å; Y113-L120 WeakPolarHBondContact O-CB 3.43Å; Y113-L120 VanDerWaalsContact O-CG 3.28Å; Y113-L120 WeakPolarHBondContact O-CG 3.39Å; Y113-L120 PolarHBondContact O-N 3.47Å; Y113-L129 HydrophobicContact CD1-CD1 4.24Å; Y113-L129 HydrophobicContact CE1-CB 4.01Å; Y113-L129 HydrophobicContact CE1-CD1 3.77Å; Y113-D131 HydrophobicContact CE2-CB 4.42Å; Y113-L143 HydrophobicContact CD2-CD1 4.23Å; Y113-L143 HydrophobicContact CG-CD1 4.46Å; Y113-L143 HydrophobicContact CG-CD2 4.11Å; Y113-V147 HydrophobicContact CD1-CG2 4.11Å; Y113-V147 HydrophobicContact CE1-CG2 4.33Å; Y113-F154 AromaticContact CE1-CD2 3.87Å; Y113-F154 HydrophobicContact CE1-CD2 3.87Å; Y113-F154 AromaticContact CE1-CE2 3.85Å; Y113-F154 HydrophobicContact CE1-CE2 3.85Å; Y113-F154 HydrophobicContact CE2-CE2 4.41Å; Y113-F154 AromaticContact CZ-CE2 3.78Å
114	S	98.8	Very high	98.1	Very high	47 Å²	47	52 Å²	52	33%	0.329	29%	0.285	S	S	.	.	H	α-helix	trans	-106.4	-7	-166	-58.2	0	0	0	0	114.4	I110	I110-S114 WeakPolarHBondContact O-CA 3.36Å; I110-S114 WeakPolarHBondContact O-CB 3.37Å; I110-S114 PolarHBondContact O-N 2.88Å
115	G	98.6	Very high	98.4	Very high	6 Å²	6	56.9 Å²	56.9	6%	0.062	30%	0.297	C	S	.	.	S	Bend	trans	-60.5	173.7	178.9	0	0	0	0	0	113.6	E111 N117 G118 K121	E111-G115 WeakPolarHBondContact O-CA 3.31Å; E111-G115 PolarHBondContact O-N 3.37Å; E111-G115 WeakPolarHBondContact OE1-CA 3.38Å; G115-N117 PolarHBondContact O-N 2.86Å; G115-N117 VanDerWaalsContact O-N 3.14Å; G115-G118 PolarHBondContact O-N 3.31Å; G115-K121 WeakPolarHBondContact O-CE 3.39Å
116	A	98.5	Very high	98.5	Very high	79 Å²	79	57.9 Å²	57.9	65%	0.653	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.9	-175.5	0	0	0	0	0	112.6
117	N	98.6	Very high	98.6	Very high	109 Å²	109	56.8 Å²	56.8	58%	0.583	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	31.9	174.2	-58.1	-50.8	0	0	0	111.8	P89 A90 G115	P89-N117 WeakPolarHBondContact CD-O 3.35Å; A90-N117 WeakPolarHBondContact CB-O 3.48Å; A90-N117 PolarHBondContact N-O 3.43Å; G115-N117 PolarHBondContact O-N 2.86Å; G115-N117 VanDerWaalsContact O-N 3.14Å
118	G	98.8	Very high	98.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	28%	0.281	C	S	.	.			trans	-75.1	166	-178.3	0	0	0	0	0	113.9	A90 A112 Y113 G115 L120 K121	A90-G118 WeakPolarHBondContact CB-O 3.49Å; A112-G118 CarbonylContact O-C 3.53Å; A112-G118 WeakPolarHBondContact O-CA 3.43Å; Y113-G118 CarbonylContact O-C 3.6Å; Y113-G118 WeakPolarHBondContact O-CA 3.28Å; G115-G118 PolarHBondContact O-N 3.31Å; G118-L120 PolarHBondContact O-N 3.03Å; G118-L120 VanDerWaalsContact O-N 3.16Å; G118-K121 WeakPolarHBondContact O-CB 3.2Å; G118-K121 WeakPolarHBondContact O-CG 3.44Å; G118-K121 PolarHBondContact O-N 3.41Å
119	I	98.9	Very high	98.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-48.1	-44.3	178.9	-66.3	160.9	0	0	0	111.5	I45 P89 A93 I99 T101 A112 Y113 K121 K122 V123 L129	I45-I119 HydrophobicContact CD1-CD1 3.68Å; I45-I119 HydrophobicContact CD1-CG1 3.73Å; P89-I119 HydrophobicContact CB-CG1 3.93Å; A93-I119 HydrophobicContact CB-CB 4.46Å; A93-I119 HydrophobicContact CB-CG2 3.92Å; I99-I119 HydrophobicContact CD1-CG2 4.06Å; T101-I119 HydrophobicContact CG2-CD1 3.75Å; A112-I119 WeakPolarHBondContact O-CG1 3.3Å; A112-I119 PolarHBondContact O-N 3.27Å; Y113-I119 HydrophobicContact CD1-CB 4.44Å; Y113-I119 HydrophobicContact CD1-CD1 3.93Å; Y113-I119 HydrophobicContact CD2-CD1 3.98Å; Y113-I119 HydrophobicContact CE1-CD1 3.87Å; Y113-I119 HydrophobicContact CE2-CD1 3.95Å; Y113-I119 HydrophobicContact CG-CD1 3.98Å; Y113-I119 PolarHBondContact O-N 2.9Å; I119-K121 PolarHBondContact O-N 3.49Å; I119-K122 PolarHBondContact O-N 2.89Å; I119-K122 VanDerWaalsContact O-N 3.17Å; I119-V123 HydrophobicContact CG2-CB 4.22Å; I119-V123 HydrophobicContact CG2-CG2 4.42Å; I119-V123 WeakPolarHBondContact O-CB 3.15Å; I119-V123 PolarHBondContact O-N 3.44Å; I119-L129 HydrophobicContact CG2-CD1 3.78Å; I119-L129 HydrophobicContact CG2-CD2 4.01Å
120	L	98.8	Very high	98.7	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-63.4	-13.7	-175.3	-65	177.7	0	0	0	113.9	Y113 G118 V123 E146 V147 M150	Y113-L120 WeakPolarHBondContact O-CB 3.43Å; Y113-L120 VanDerWaalsContact O-CG 3.28Å; Y113-L120 WeakPolarHBondContact O-CG 3.39Å; Y113-L120 PolarHBondContact O-N 3.47Å; G118-L120 PolarHBondContact O-N 3.03Å; G118-L120 VanDerWaalsContact O-N 3.16Å; L120-V123 HydrophobicContact CD2-CG1 4.32Å; L120-E146 HydrophobicContact CD1-CB 3.72Å; L120-V147 HydrophobicContact CD2-CB 4.36Å; L120-V147 HydrophobicContact CD2-CG2 3.71Å; L120-M150 HydrophobicContact CD2-CG 3.98Å
121	K	98.7	Very high	98.7	Very high	125 Å²	125	45.3 Å²	45.3	54%	0.543	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-74.6	-25.5	178.2	-56.8	-55.4	179.4	-169.4	0	113.6	A90 G115 G118 I119	A90-K121 HydrophobicContact CB-CB 4.16Å; G115-K121 WeakPolarHBondContact O-CE 3.39Å; G118-K121 WeakPolarHBondContact O-CB 3.2Å; G118-K121 WeakPolarHBondContact O-CG 3.44Å; G118-K121 PolarHBondContact O-N 3.41Å; I119-K121 PolarHBondContact O-N 3.49Å
122	K	98.8	Very high	98.7	Very high	82 Å²	82	39.7 Å²	39.7	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	6	-175	-64.5	-172.7	-175.7	177.5	0	114	A90 D91 E94 I119	A90-K122 HydrophobicContact CB-CB 4.4Å; A90-K122 HydrophobicContact CB-CD 4.04Å; A90-K122 HydrophobicContact CB-CG 4.07Å; A90-K122 WeakPolarHBondContact O-CB 3.34Å; D91-K122 IonicContact OD1-NZ 2.92Å; D91-K122 PolarHBondContact OD1-NZ 3.01Å; E94-K122 HydrophobicContact CB-CB 4.18Å; E94-K122 HydrophobicContact CB-CD 3.84Å; E94-K122 HydrophobicContact CG-CD 4.23Å; E94-K122 WeakPolarHBondContact OE2-CD 3.24Å; E94-K122 IonicContact OE2-NZ 2.65Å; E94-K122 PolarHBondContact OE2-NZ 2.93Å; I119-K122 PolarHBondContact O-N 2.89Å; I119-K122 VanDerWaalsContact O-N 3.17Å
123	V	98.7	Very high	98.7	Very high	16 Å²	16	39.3 Å²	39.3	10%	0.097	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-57.2	139.9	176.4	69.1	0	0	0	0	111.4	A93 I119 L120 L129 M150 A152	A93-V123 HydrophobicContact CB-CB 4.41Å; I119-V123 HydrophobicContact CG2-CB 4.22Å; I119-V123 HydrophobicContact CG2-CG2 4.42Å; I119-V123 WeakPolarHBondContact O-CB 3.15Å; I119-V123 PolarHBondContact O-N 3.44Å; L120-V123 HydrophobicContact CD2-CG1 4.32Å; V123-L129 HydrophobicContact CG2-CD1 4.15Å; V123-L129 HydrophobicContact CG2-CD2 4.29Å; V123-M150 HydrophobicContact CG1-CB 3.67Å; V123-M150 HydrophobicContact CG1-CE 4.41Å; V123-M150 HydrophobicContact CG1-CG 3.98Å; V123-A152 HydrophobicContact CG2-CB 3.97Å
124	K	98.4	Very high	98.7	Very high	80 Å²	80	40 Å²	40	35%	0.348	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-91.9	155.6	178.9	-55.8	-178.4	-153.9	154.8	0	110.6	E94 D97 S127	E94-K124 WeakPolarHBondContact O-CE 3.38Å; E94-K124 PolarHBondContact O-NZ 2.88Å; E94-K124 VanDerWaalsContact O-NZ 3.13Å; D97-K124 VanDerWaalsContact OD1-CD 3.29Å; D97-K124 WeakPolarHBondContact OD1-CD 3.31Å; D97-K124 WeakPolarHBondContact OD1-CE 3.36Å; D97-K124 IonicContact OD1-NZ 2.88Å; D97-K124 PolarHBondContact OD1-NZ 3.23Å; K124-S127 WeakPolarHBondContact O-CB 3.49Å; K124-S127 PolarHBondContact O-N 2.84Å; K124-S127 PolarHBondContact O-OG 2.81Å
125	K	98.4	Very high	98.6	Very high	183 Å²	183	37.7 Å²	37.7	80%	0.796	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	138.7	171.7	-68.9	-175.9	177.2	-177.1	0	109.9	S127 G151	K125-S127 VanDerWaalsContact C-N 3.27Å; K125-S127 PolarHBondContact O-N 2.96Å; K125-G151 CarbonylContact C-O 3.56Å; K125-G151 WeakPolarHBondContact CA-O 3.25Å
126	G	97.8	Very high	98.6	Very high	66 Å²	66	39 Å²	39	68%	0.68	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	5.6	-177	0	0	0	0	0	114.5	G151	G126-G151 PolarHBondContact N-O 3Å
127	S	98.7	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.187	C	C	.	.			trans	-66.8	143.5	175.9	-67.6	0	0	0	0	112.2	D97 K124 K125 A152 V153	D97-S127 CarbonylContact O-C 3.55Å; D97-S127 WeakPolarHBondContact O-CA 3.39Å; D97-S127 WeakPolarHBondContact O-CB 3.3Å; D97-S127 PolarHBondContact O-OG 3.1Å; K124-S127 WeakPolarHBondContact O-CB 3.49Å; K124-S127 PolarHBondContact O-N 2.84Å; K124-S127 PolarHBondContact O-OG 2.81Å; K125-S127 VanDerWaalsContact C-N 3.27Å; K125-S127 PolarHBondContact O-N 2.96Å; S127-A152 WeakPolarHBondContact O-CB 3.41Å; S127-V153 PolarHBondContact O-N 3.19Å
128	L	98.8	Very high	98.5	Very high	9 Å²	9	33 Å²	33	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.6	174.3	178.2	63.3	0	0	0	110.1	D97 R98 I99 I130 V153 M155 A184 A185	D97-L128 PolarHBondContact O-N 2.98Å; R98-L128 CarbonylContact C-O 3.59Å; R98-L128 VanDerWaalsContact CA-O 3.26Å; R98-L128 WeakPolarHBondContact CA-O 3.4Å; R98-L128 HydrophobicContact CG-CB 4.33Å; I99-L128 PolarHBondContact N-O 2.92Å; L128-I130 HydrophobicContact CD1-CG1 4.38Å; L128-I130 HydrophobicContact CD2-CD1 4.07Å; L128-I130 HydrophobicContact CD2-CG1 4.47Å; L128-I130 HydrophobicContact CG-CD1 4.22Å; L128-I130 HydrophobicContact CG-CG1 4.08Å; L128-V153 HydrophobicContact CD1-CB 4.16Å; L128-V153 HydrophobicContact CD1-CG1 3.83Å; L128-M155 HydrophobicContact CD1-CG 4.21Å; L128-M155 HydrophobicContact CD1-SD 4.1Å; L128-A184 HydrophobicContact CD2-CB 4.11Å; L128-A185 HydrophobicContact CD2-CB 4.45Å
129	L	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122	179.3	-51.2	-177.8	0	0	0	109.7	I99 Y113 I119 V123 V147 V153 F154 M155	I99-L129 HydrophobicContact CB-CD2 3.77Å; I99-L129 HydrophobicContact CD1-CD2 3.63Å; I99-L129 HydrophobicContact CG1-CD2 3.81Å; Y113-L129 HydrophobicContact CD1-CD1 4.24Å; Y113-L129 HydrophobicContact CE1-CB 4.01Å; Y113-L129 HydrophobicContact CE1-CD1 3.77Å; I119-L129 HydrophobicContact CG2-CD1 3.78Å; I119-L129 HydrophobicContact CG2-CD2 4.01Å; V123-L129 HydrophobicContact CG2-CD1 4.15Å; V123-L129 HydrophobicContact CG2-CD2 4.29Å; L129-V147 HydrophobicContact CD1-CB 4.45Å; L129-V147 HydrophobicContact CD1-CG1 3.77Å; L129-V147 HydrophobicContact CD1-CG2 3.74Å; L129-V147 HydrophobicContact CG-CG1 4.42Å; L129-V153 WeakPolarHBondContact CB-O 3.36Å; L129-V153 PolarHBondContact N-O 3.23Å; L129-F154 CarbonylContact O-C 3.14Å; L129-F154 WeakPolarHBondContact O-CA 3.5Å; L129-M155 PolarHBondContact O-N 2.91Å
130	I	98.9	Very high	98.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	111.8	-177.6	-57.6	169.7	0	0	0	109.2	I99 I100 T101 L128 M155 A157 A185 L188 L189	I99-I130 PolarHBondContact O-N 2.84Å; I100-I130 VanDerWaalsContact CA-O 3.3Å; I100-I130 WeakPolarHBondContact CA-O 3.36Å; I100-I130 HydrophobicContact CG1-CB 4.29Å; T101-I130 PolarHBondContact N-O 3Å; L128-I130 HydrophobicContact CD1-CG1 4.38Å; L128-I130 HydrophobicContact CD2-CD1 4.07Å; L128-I130 HydrophobicContact CD2-CG1 4.47Å; L128-I130 HydrophobicContact CG-CD1 4.22Å; L128-I130 HydrophobicContact CG-CG1 4.08Å; I130-M155 CarbonylContact C-O 3.55Å; I130-M155 WeakPolarHBondContact CA-O 3.17Å; I130-A157 HydrophobicContact CG2-CB 3.46Å; I130-A157 VanDerWaalsContact CG2-CB 3.46Å; I130-A185 HydrophobicContact CD1-CB 3.88Å; I130-L188 HydrophobicContact CD1-CD1 4.38Å; I130-L189 HydrophobicContact CD1-CD2 4.4Å; I130-L189 HydrophobicContact CD1-CG 4.41Å; I130-L189 HydrophobicContact CG2-CD1 4.44Å; I130-L189 HydrophobicContact CG2-CD2 4.11Å
131	D	98.9	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.2	173.8	-171.8	35.7	0	0	0	111.4	T101 Y113 S133 I135 F154 M155 A157	T101-D131 VanDerWaalsContact OG1-CA 3.28Å; T101-D131 WeakPolarHBondContact OG1-CA 3.45Å; T101-D131 WeakPolarHBondContact OG1-CB 3.49Å; T101-D131 PolarHBondContact OG1-OD1 3.17Å; Y113-D131 HydrophobicContact CE2-CB 4.42Å; D131-S133 VanDerWaalsContact C-N 3.3Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.01Å; D131-S133 PolarHBondContact OD1-OG 3.03Å; D131-S133 WeakPolarHBondContact OD2-CB 3.27Å; D131-I135 WeakPolarHBondContact OD2-CD1 3.11Å; D131-F154 HydrophobicContact CB-CE2 3.8Å; D131-F154 HydrophobicContact CB-CZ 3.66Å; D131-M155 PolarHBondContact N-O 3.42Å; D131-A157 PolarHBondContact O-N 3.38Å
132	S	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.			trans	-87.1	-1.4	175.6	-59.7	0	0	0	0	113.3	T101 A157	T101-S132 WeakPolarHBondContact O-CA 3.39Å; T101-S132 PolarHBondContact O-N 3.16Å; S132-A157 WeakPolarHBondContact CA-O 3.43Å; S132-A157 PolarHBondContact OG-O 2.94Å
133	S	98.5	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-57.2	148	170	-46.4	0	0	0	0	110.2	T101 L103 D131 Q206	T101-S133 PolarHBondContact O-N 2.98Å; L103-S133 WeakPolarHBondContact CB-OG 3.44Å; L103-S133 PolarHBondContact N-OG 3.23Å; L103-S133 WeakPolarHBondContact O-CB 3.48Å; D131-S133 VanDerWaalsContact C-N 3.3Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.01Å; D131-S133 PolarHBondContact OD1-OG 3.03Å; D131-S133 WeakPolarHBondContact OD2-CB 3.27Å; S133-Q206 PolarHBondContact O-NE2 3.3Å
134	T	98.4	Very high	98.5	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.086	19%	0.187	C	C	.	.			trans	-91.5	113.9	166.9	-56.1	0	0	0	0	107.6	K209 K284 D285 L288	T134-K209 HydrophobicContact CG2-CG 3.88Å; T134-K209 PolarHBondContact OG1-NZ 2.91Å; T134-K209 VanDerWaalsContact OG1-NZ 3.09Å; T134-K284 PolarHBondContact O-NZ 2.8Å; T134-D285 WeakPolarHBondContact CG2-OD1 3.48Å; T134-L288 HydrophobicContact CG2-CD1 4.08Å
135	I	98.4	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.			trans	-138.7	176.8	-174.4	61.8	166.3	0	0	0	110.8	A109 D131 V139 S140 L143 Q206	A109-I135 HydrophobicContact CB-CD1 4.28Å; A109-I135 HydrophobicContact CB-CG2 4.14Å; D131-I135 WeakPolarHBondContact OD2-CD1 3.11Å; I135-V139 HydrophobicContact CD1-CB 4.26Å; I135-V139 HydrophobicContact CD1-CG1 3.93Å; I135-S140 WeakPolarHBondContact CD1-OG 3.4Å; I135-S140 WeakPolarHBondContact CG1-OG 3.44Å; I135-L143 HydrophobicContact CD1-CD1 4.25Å; I135-Q206 HydrophobicContact CG1-CG 4.31Å; I135-Q206 PolarHBondContact O-OE1 3.3Å
136	D	97.4	Very high	98.5	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.171	18%	0.178	C	C	.	.			trans	-64.8	132.5	174.5	-169.7	-66.8	0	0	0	110.7	S106 A138 V139 S140 L288	S106-D136 PolarHBondContact OG-N 3.35Å; D136-A138 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CA 3.17Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 3.37Å; D136-V139 HydrophobicContact CB-CB 4.3Å; D136-V139 HydrophobicContact CB-CG2 3.96Å; D136-V139 WeakPolarHBondContact O-CB 3.4Å; D136-V139 PolarHBondContact O-N 3.08Å; D136-S140 PolarHBondContact O-N 3.43Å; D136-S140 VanDerWaalsContact O-N 3.13Å; D136-L288 HydrophobicContact CB-CD2 4.02Å
137	P	98.1	Very high	98.6	Very high	15 Å²	15	28.5 Å²	28.5	10%	0.097	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-32.4	177.9	-24.9	33.5	0	0	0	114.4	S140 K141 Q206 I210	P137-S140 PolarHBondContact O-N 3.4Å; P137-K141 WeakPolarHBondContact O-CG 3.42Å; P137-K141 PolarHBondContact O-N 2.88Å; P137-Q206 HydrophobicContact CB-CB 4.2Å; P137-Q206 HydrophobicContact CG-CB 3.82Å; P137-I210 HydrophobicContact CG-CD1 3.86Å
138	A	97.2	Very high	98.5	Very high	48 Å²	48	35.2 Å²	35.2	40%	0.397	18%	0.176	S	C	.	.	H	α-helix	trans	-67.4	-39.6	175.9	0	0	0	0	0	111.2	D136 K141 E142	D136-A138 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CA 3.17Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 3.37Å; A138-K141 WeakPolarHBondContact O-CB 3.34Å; A138-K141 PolarHBondContact O-N 3.43Å; A138-K141 VanDerWaalsContact O-N 3.15Å; A138-E142 WeakPolarHBondContact O-CG 3.38Å; A138-E142 PolarHBondContact O-N 3.17Å
139	V	98.4	Very high	98.5	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-41.2	175.2	176	0	0	0	0	110.8	I110 I135 D136 K141 E142 L143	I110-V139 HydrophobicContact CD1-CG1 3.72Å; I110-V139 HydrophobicContact CD1-CG2 4.33Å; I110-V139 HydrophobicContact CG1-CG1 3.61Å; I135-V139 HydrophobicContact CD1-CB 4.26Å; I135-V139 HydrophobicContact CD1-CG1 3.93Å; D136-V139 HydrophobicContact CB-CB 4.3Å; D136-V139 HydrophobicContact CB-CG2 3.96Å; D136-V139 WeakPolarHBondContact O-CB 3.4Å; D136-V139 PolarHBondContact O-N 3.08Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 PolarHBondContact O-N 3.29Å; V139-E142 PolarHBondContact O-N 3.42Å; V139-L143 HydrophobicContact CG1-CD1 4.25Å; V139-L143 HydrophobicContact CG1-CG 4.36Å; V139-L143 WeakPolarHBondContact O-CG 3.27Å; V139-L143 PolarHBondContact O-N 3.04Å
140	S	98.7	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-41	172.7	-64.2	0	0	0	0	112.2	I135 D136 P137 A144 F154 V202 Q206	I135-S140 WeakPolarHBondContact CD1-OG 3.4Å; I135-S140 WeakPolarHBondContact CG1-OG 3.44Å; D136-S140 PolarHBondContact O-N 3.43Å; D136-S140 VanDerWaalsContact O-N 3.13Å; P137-S140 PolarHBondContact O-N 3.4Å; S140-A144 WeakPolarHBondContact O-CB 3.22Å; S140-A144 PolarHBondContact O-N 2.94Å; S140-F154 WeakPolarHBondContact O-CE1 3.48Å; S140-V202 WeakPolarHBondContact O-CG1 3.41Å; S140-Q206 WeakPolarHBondContact OG-CG 3.34Å
141	K	98.8	Very high	98.5	Very high	111 Å²	111	47.3 Å²	47.3	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-68	-37.1	176.8	-68.9	171.2	-175.8	178.2	0	112.6	P137 A138 V139 K145 V202	P137-K141 WeakPolarHBondContact O-CG 3.42Å; P137-K141 PolarHBondContact O-N 2.88Å; A138-K141 WeakPolarHBondContact O-CB 3.34Å; A138-K141 PolarHBondContact O-N 3.43Å; A138-K141 VanDerWaalsContact O-N 3.15Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 PolarHBondContact O-N 3.29Å; K141-K145 WeakPolarHBondContact O-CG 3.36Å; K141-K145 PolarHBondContact O-N 3.11Å; K141-V202 WeakPolarHBondContact CE-O 3.29Å; K141-V202 HydrophobicContact CG-CG1 4.26Å
142	E	98.7	Very high	98.5	Very high	116 Å²	116	47.8 Å²	47.8	54%	0.542	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-47.7	174.6	-72.9	174.5	-175.4	0	0	111.2	A138 V139 A144 K145 E146	A138-E142 WeakPolarHBondContact O-CG 3.38Å; A138-E142 PolarHBondContact O-N 3.17Å; V139-E142 PolarHBondContact O-N 3.42Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 2.85Å; E142-K145 PolarHBondContact O-N 3.27Å; E142-E146 PolarHBondContact O-N 3.47Å; E142-E146 VanDerWaalsContact O-N 3.17Å
143	L	98.8	Very high	98.5	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-45	175.5	-70.9	178.4	0	0	0	111.6	A109 Y113 I135 V139 K145 E146 V147 F154	A109-L143 HydrophobicContact CB-CD1 4.32Å; Y113-L143 HydrophobicContact CD2-CD1 4.23Å; Y113-L143 HydrophobicContact CG-CD1 4.46Å; Y113-L143 HydrophobicContact CG-CD2 4.11Å; I135-L143 HydrophobicContact CD1-CD1 4.25Å; V139-L143 HydrophobicContact CG1-CD1 4.25Å; V139-L143 HydrophobicContact CG1-CG 4.36Å; V139-L143 WeakPolarHBondContact O-CG 3.27Å; V139-L143 PolarHBondContact O-N 3.04Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 3.22Å; L143-E146 PolarHBondContact O-N 3.09Å; L143-E146 VanDerWaalsContact O-N 3.15Å; L143-V147 VanDerWaalsContact O-CG2 3.25Å; L143-V147 WeakPolarHBondContact O-CG2 3.42Å; L143-V147 PolarHBondContact O-N 3.35Å; L143-F154 HydrophobicContact CB-CD2 4.32Å; L143-F154 HydrophobicContact CB-CE2 3.91Å; L143-F154 HydrophobicContact CB-CZ 4.09Å; L143-F154 HydrophobicContact CD1-CE2 4.21Å; L143-F154 HydrophobicContact CD1-CZ 4.27Å
144	A	98.9	Very high	98.5	Very high	15 Å²	15	49.8 Å²	49.8	12%	0.124	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-42.1	177.8	0	0	0	0	0	113.1	S140 E142 E146 V147 E148 F154 V202	S140-A144 WeakPolarHBondContact O-CB 3.22Å; S140-A144 PolarHBondContact O-N 2.94Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 2.85Å; A144-E146 VanDerWaalsContact C-N 3.35Å; A144-E146 PolarHBondContact O-N 3.14Å; A144-V147 PolarHBondContact O-N 3.19Å; A144-E148 WeakPolarHBondContact O-CB 3.36Å; A144-E148 PolarHBondContact O-N 2.93Å; A144-F154 HydrophobicContact CB-CB 3.88Å; A144-F154 HydrophobicContact CB-CD1 3.7Å; A144-F154 HydrophobicContact CB-CG 4.01Å; A144-V202 HydrophobicContact CB-CB 4.29Å; A144-V202 HydrophobicContact CB-CG1 3.82Å; A144-V202 HydrophobicContact CB-CG2 3.96Å
145	K	98.8	Very high	98.5	Very high	133 Å²	133	49.1 Å²	49.1	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-62.7	-40.3	176.3	-72.1	175.3	-177.4	178.6	0	112.3	K141 E142 L143 K149	K141-K145 WeakPolarHBondContact O-CG 3.36Å; K141-K145 PolarHBondContact O-N 3.11Å; E142-K145 PolarHBondContact O-N 3.27Å; L143-K145 VanDerWaalsContact C-N 3.32Å; L143-K145 PolarHBondContact O-N 3.22Å; K145-K149 WeakPolarHBondContact O-CG 3.49Å; K145-K149 PolarHBondContact O-N 3.38Å
146	E	98.8	Very high	98.5	Very high	78 Å²	78	49.1 Å²	49.1	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-70.3	-36.8	177.3	-62.9	-52.4	138.6	0	0	112.1	L120 E142 L143 A144 K149	L120-E146 HydrophobicContact CD1-CB 3.72Å; E142-E146 PolarHBondContact O-N 3.47Å; E142-E146 VanDerWaalsContact O-N 3.17Å; L143-E146 PolarHBondContact O-N 3.09Å; L143-E146 VanDerWaalsContact O-N 3.15Å; A144-E146 VanDerWaalsContact C-N 3.35Å; A144-E146 PolarHBondContact O-N 3.14Å; E146-K149 PolarHBondContact O-N 2.96Å; E146-K149 IonicContact OE1-NZ 3.32Å; E146-K149 PolarHBondContact OE1-NZ 2.63Å; E146-K149 IonicContact OE2-NZ 3.91Å; E146-K149 PolarHBondContact OE2-NZ 2.8Å
147	V	98.8	Very high	98.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-41.9	174.6	172.3	0	0	0	0	111.5	Y113 L120 L129 L143 A144 K149 M150 G151 A152 F154	Y113-V147 HydrophobicContact CD1-CG2 4.11Å; Y113-V147 HydrophobicContact CE1-CG2 4.33Å; L120-V147 HydrophobicContact CD2-CB 4.36Å; L120-V147 HydrophobicContact CD2-CG2 3.71Å; L129-V147 HydrophobicContact CD1-CB 4.45Å; L129-V147 HydrophobicContact CD1-CG1 3.77Å; L129-V147 HydrophobicContact CD1-CG2 3.74Å; L129-V147 HydrophobicContact CG-CG1 4.42Å; L143-V147 VanDerWaalsContact O-CG2 3.25Å; L143-V147 WeakPolarHBondContact O-CG2 3.42Å; L143-V147 PolarHBondContact O-N 3.35Å; A144-V147 PolarHBondContact O-N 3.19Å; V147-K149 VanDerWaalsContact C-N 3.33Å; V147-K149 PolarHBondContact O-N 3.26Å; V147-M150 WeakPolarHBondContact O-CB 3.46Å; V147-M150 PolarHBondContact O-N 2.86Å; V147-G151 PolarHBondContact O-N 2.63Å; V147-A152 HydrophobicContact CG1-CB 3.68Å; V147-A152 PolarHBondContact O-N 3.05Å; V147-F154 HydrophobicContact CB-CB 3.98Å; V147-F154 HydrophobicContact CG1-CB 3.95Å; V147-F154 HydrophobicContact CG2-CB 4.15Å; V147-F154 HydrophobicContact CG2-CD2 4.11Å
148	E	98.4	Very high	98.6	Very high	142 Å²	142	46.9 Å²	46.9	66%	0.664	24%	0.24	S	C	*	.	H	α-helix	trans	-62.4	-38.6	178.9	-173.4	179.9	-174.6	0	0	111.9	A144 M150 G151	A144-E148 WeakPolarHBondContact O-CB 3.36Å; A144-E148 PolarHBondContact O-N 2.93Å; E148-M150 PolarHBondContact O-N 2.74Å; E148-G151 WeakPolarHBondContact O-CA 3.4Å; E148-G151 PolarHBondContact O-N 3.26Å
149	K	98.6	Very high	98.6	Very high	144 Å²	144	44.8 Å²	44.8	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	-58.8	-28.4	173.7	-70	172	-165	170.5	0	113	K145 E146 V147 G151	K145-K149 WeakPolarHBondContact O-CG 3.49Å; K145-K149 PolarHBondContact O-N 3.38Å; E146-K149 PolarHBondContact O-N 2.96Å; E146-K149 IonicContact OE1-NZ 3.32Å; E146-K149 PolarHBondContact OE1-NZ 2.63Å; E146-K149 IonicContact OE2-NZ 3.91Å; E146-K149 PolarHBondContact OE2-NZ 2.8Å; V147-K149 VanDerWaalsContact C-N 3.33Å; V147-K149 PolarHBondContact O-N 3.26Å; K149-G151 VanDerWaalsContact C-N 3.27Å
150	M	98.4	Very high	98.4	Very high	81 Å²	81	45.7 Å²	45.7	40%	0.399	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.9	176.5	-56.2	-54.2	-65.6	0	0	112.8	L120 V123 V147 E148	L120-M150 HydrophobicContact CD2-CG 3.98Å; V123-M150 HydrophobicContact CG1-CB 3.67Å; V123-M150 HydrophobicContact CG1-CE 4.41Å; V123-M150 HydrophobicContact CG1-CG 3.98Å; V147-M150 WeakPolarHBondContact O-CB 3.46Å; V147-M150 PolarHBondContact O-N 2.86Å; E148-M150 PolarHBondContact O-N 2.74Å
151	G	98.4	Very high	97.8	Very high	40 Å²	40	48.1 Å²	48.1	41%	0.412	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	28	-176.7	0	0	0	0	0	113.2	K125 G126 V147 E148 K149	K125-G151 CarbonylContact C-O 3.56Å; K125-G151 WeakPolarHBondContact CA-O 3.25Å; G126-G151 PolarHBondContact N-O 3Å; V147-G151 PolarHBondContact O-N 2.63Å; E148-G151 WeakPolarHBondContact O-CA 3.4Å; E148-G151 PolarHBondContact O-N 3.26Å; K149-G151 VanDerWaalsContact C-N 3.27Å
152	A	98.7	Very high	97.2	Very high	9 Å²	9	43.9 Å²	43.9	7%	0.074	24%	0.243	C	C	.	.			trans	-114	172.2	175.4	0	0	0	0	0	110.6	V123 S127 V147	V123-A152 HydrophobicContact CG2-CB 3.97Å; S127-A152 WeakPolarHBondContact O-CB 3.41Å; V147-A152 HydrophobicContact CG1-CB 3.68Å; V147-A152 PolarHBondContact O-N 3.05Å
153	V	98.7	Very high	96.6	Very high	32 Å²	32	40.2 Å²	40.2	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.6	-179.5	176.2	0	0	0	0	109.7	S127 L128 L129 M155 E181	S127-V153 PolarHBondContact O-N 3.19Å; L128-V153 HydrophobicContact CD1-CB 4.16Å; L128-V153 HydrophobicContact CD1-CG1 3.83Å; L129-V153 WeakPolarHBondContact CB-O 3.36Å; L129-V153 PolarHBondContact N-O 3.23Å; V153-M155 HydrophobicContact CG1-CG 4.26Å; V153-E181 HydrophobicContact CB-CG 4.49Å; V153-E181 HydrophobicContact CG1-CB 3.99Å; V153-E181 HydrophobicContact CG1-CG 3.74Å; V153-E181 HydrophobicContact CG2-CG 4.04Å
154	F	98.9	Very high	95.9	Very high	10 Å²	10	42.5 Å²	42.5	4%	0.044	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.5	171.5	-178.8	-87.3	0	0	0	110.9	Y113 L129 D131 S140 L143 A144 V147 D156 V202	Y113-F154 AromaticContact CE1-CD2 3.87Å; Y113-F154 HydrophobicContact CE1-CD2 3.87Å; Y113-F154 AromaticContact CE1-CE2 3.85Å; Y113-F154 HydrophobicContact CE1-CE2 3.85Å; Y113-F154 HydrophobicContact CE2-CE2 4.41Å; Y113-F154 AromaticContact CZ-CE2 3.78Å; L129-F154 CarbonylContact O-C 3.14Å; L129-F154 WeakPolarHBondContact O-CA 3.5Å; D131-F154 HydrophobicContact CB-CE2 3.8Å; D131-F154 HydrophobicContact CB-CZ 3.66Å; S140-F154 WeakPolarHBondContact O-CE1 3.48Å; L143-F154 HydrophobicContact CB-CD2 4.32Å; L143-F154 HydrophobicContact CB-CE2 3.91Å; L143-F154 HydrophobicContact CB-CZ 4.09Å; L143-F154 HydrophobicContact CD1-CE2 4.21Å; L143-F154 HydrophobicContact CD1-CZ 4.27Å; A144-F154 HydrophobicContact CB-CB 3.88Å; A144-F154 HydrophobicContact CB-CD1 3.7Å; A144-F154 HydrophobicContact CB-CG 4.01Å; V147-F154 HydrophobicContact CB-CB 3.98Å; V147-F154 HydrophobicContact CG1-CB 3.95Å; V147-F154 HydrophobicContact CG2-CB 4.15Å; V147-F154 HydrophobicContact CG2-CD2 4.11Å; F154-D156 HydrophobicContact CE1-CB 4.24Å; F154-V202 HydrophobicContact CD1-CG1 3.98Å; F154-V202 HydrophobicContact CD1-CG2 4.45Å; F154-V202 HydrophobicContact CE1-CG1 4.04Å
155	M	98.9	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.4	169.6	-55.7	-169.3	85.4	0	0	110.3	L128 L129 I130 D131 V153 V175 G176 E181 F182 A185	L128-M155 HydrophobicContact CD1-CG 4.21Å; L128-M155 HydrophobicContact CD1-SD 4.1Å; L129-M155 PolarHBondContact O-N 2.91Å; I130-M155 CarbonylContact C-O 3.55Å; I130-M155 WeakPolarHBondContact CA-O 3.17Å; D131-M155 PolarHBondContact N-O 3.42Å; V153-M155 HydrophobicContact CG1-CG 4.26Å; M155-V175 HydrophobicContact CB-CG1 4.35Å; M155-V175 HydrophobicContact CE-CG1 3.55Å; M155-V175 HydrophobicContact SD-CG1 4.28Å; M155-G176 CarbonylContact C-O 3.35Å; M155-G176 VanDerWaalsContact CA-O 3.23Å; M155-G176 WeakPolarHBondContact CA-O 3.38Å; M155-G176 WeakPolarHBondContact CB-O 3.39Å; M155-E181 HydrophobicContact SD-CB 4.15Å; M155-F182 HydrophobicContact CE-CB 4.32Å; M155-A185 HydrophobicContact CE-CB 4.47Å; M155-A185 HydrophobicContact SD-CB 3.53Å; M155-A185 VanDerWaalsContact SD-CB 3.53Å
156	D	98.9	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.1	165.5	57.9	-64.8	0	0	0	109.5	F154 V175 G176 V202 G203 G205 Q206	F154-D156 HydrophobicContact CE1-CB 4.24Å; D156-V175 CarbonylContact O-C 3.39Å; D156-V175 VanDerWaalsContact O-CA 3.28Å; D156-V175 WeakPolarHBondContact O-CA 3.33Å; D156-G176 PolarHBondContact N-O 2.91Å; D156-G176 VanDerWaalsContact N-O 3.08Å; D156-G176 PolarHBondContact O-N 3.33Å; D156-G176 VanDerWaalsContact OD1-CA 3.31Å; D156-G176 WeakPolarHBondContact OD1-CA 3.37Å; D156-G176 VanDerWaalsContact OD1-O 3.12Å; D156-V202 WeakPolarHBondContact OD1-CA 3.5Å; D156-G203 VanDerWaalsContact CG-N 3.33Å; D156-G203 PolarHBondContact OD1-N 3.45Å; D156-G203 WeakPolarHBondContact OD2-CA 3.44Å; D156-G203 PolarHBondContact OD2-N 2.75Å; D156-G205 VanDerWaalsContact OD2-CA 3.22Å; D156-G205 WeakPolarHBondContact OD2-CA 3.47Å; D156-G205 PolarHBondContact OD2-N 3.17Å; D156-Q206 HydrophobicContact CB-CG 4Å; D156-Q206 PolarHBondContact OD2-N 3.24Å
157	A	98.9	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.239	C	C	.	.			trans	-137.2	54.7	-178.8	0	0	0	0	0	112.3	I130 D131 S132 F173 M174 V175 L189	I130-A157 HydrophobicContact CG2-CB 3.46Å; I130-A157 VanDerWaalsContact CG2-CB 3.46Å; D131-A157 PolarHBondContact O-N 3.38Å; S132-A157 WeakPolarHBondContact CA-O 3.43Å; S132-A157 PolarHBondContact OG-O 2.94Å; A157-F173 HydrophobicContact CB-CD1 4.12Å; A157-F173 WeakPolarHBondContact O-CD1 3.46Å; A157-M174 WeakPolarHBondContact CA-O 3.44Å; A157-V175 HydrophobicContact CB-CG1 4.46Å; A157-V175 HydrophobicContact CB-CG2 4.07Å; A157-L189 HydrophobicContact CB-CD1 3.77Å
158	P	98.8	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.			trans	-58.6	150.5	178.7	27.7	-39.1	0	0	0	112.4	M174 G205 K209	P158-M174 WeakPolarHBondContact CD-O 3.32Å; P158-M174 PolarHBondContact O-N 3.5Å; P158-M174 VanDerWaalsContact O-N 3.11Å; P158-G205 VanDerWaalsContact CG-O 3.27Å; P158-G205 WeakPolarHBondContact CG-O 3.35Å; P158-K209 HydrophobicContact CB-CB 3.95Å; P158-K209 HydrophobicContact CB-CG 3.98Å; P158-K209 HydrophobicContact CG-CB 3.81Å; P158-K209 HydrophobicContact CG-CG 4.41Å
159	V	97.4	Very high	94.9	Very high	5 Å²	5	38 Å²	38	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.6	-171.6	-64.5	0	0	0	0	113.8	M50 M54 M102 L171 T172 F173 K209	M50-V159 HydrophobicContact CE-CG2 3.75Å; M54-V159 HydrophobicContact CE-CG1 4.44Å; M102-V159 HydrophobicContact CE-CG2 3.62Å; V159-L171 HydrophobicContact CB-CD1 4.36Å; V159-L171 HydrophobicContact CB-CD2 4.31Å; V159-L171 HydrophobicContact CG1-CD1 4.17Å; V159-T172 CarbonylContact C-O 3.57Å; V159-T172 VanDerWaalsContact CA-O 3.31Å; V159-T172 WeakPolarHBondContact CA-O 3.41Å; V159-F173 HydrophobicContact CG1-CD1 3.39Å; V159-F173 HydrophobicContact CG1-CD2 4.43Å; V159-F173 HydrophobicContact CG1-CE1 3.11Å; V159-F173 HydrophobicContact CG1-CE2 4.22Å; V159-F173 HydrophobicContact CG1-CG 4.05Å; V159-F173 HydrophobicContact CG1-CZ 3.59Å; V159-K209 WeakPolarHBondContact O-CE 3.33Å; V159-K209 PolarHBondContact O-NZ 3.4Å
160	S	92.5	Very high	94.8	Very high	38 Å²	38	35.6 Å²	35.6	27%	0.266	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.5	165.9	-166	0	0	0	0	111.2	L171 T172	S160-L171 WeakPolarHBondContact O-CD2 3.08Å; S160-T172 PolarHBondContact N-O 2.99Å; S160-T172 PolarHBondContact O-N 3.02Å
161	G	85.9	Confident	94.8	Very high	50 Å²	50	31.7 Å²	31.7	52%	0.515	21%	0.213	S	C	.	.	S	Bend	trans	122.1	-11.2	177.6	0	0	0	0	0	116.3	A165	G161-A165 VanDerWaalsContact C-CB 3.5Å; G161-A165 WeakPolarHBondContact O-CB 3.28Å
162	G	86.1	Confident	94.8	Very high	23 Å²	23	31.9 Å²	31.9	24%	0.237	21%	0.206	C	C	.	.	H	α-helix	trans	67.3	-169.8	175.9	0	0	0	0	0	115	M50 G164 A165 A166	M50-G162 VanDerWaalsContact SD-C 3.59Å; G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 2.96Å; G162-A165 PolarHBondContact O-N 3.5Å; G162-A166 PolarHBondContact O-N 2.75Å
163	V	86.8	Confident	94.8	Very high	39 Å²	39	31.5 Å²	31.5	24%	0.236	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-34.1	-171.2	-178.5	0	0	0	0	112.5	N49 M50 A166 R167	N49-V163 HydrophobicContact CB-CG2 3.97Å; M50-V163 HydrophobicContact SD-CG2 4.07Å; V163-A166 PolarHBondContact O-N 2.92Å; V163-R167 HydrophobicContact CG1-CG 4.45Å; V163-R167 WeakPolarHBondContact O-CG 3.26Å; V163-R167 PolarHBondContact O-N 3.18Å
164	G	84.8	Confident	94.8	Very high	53 Å²	53	30.9 Å²	30.9	55%	0.546	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-47.4	176.3	0	0	0	0	0	112.3	G162 R167 S168	G162-G164 VanDerWaalsContact C-N 3.32Å; G162-G164 PolarHBondContact O-N 2.96Å; G164-R167 PolarHBondContact O-N 2.98Å; G164-S168 PolarHBondContact O-N 3.15Å; G164-S168 VanDerWaalsContact O-N 3.08Å; G164-S168 PolarHBondContact O-OG 3.17Å
165	A	90.4	Very high	94.8	Very high	15 Å²	15	30.4 Å²	30.4	12%	0.124	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-38	174.7	0	0	0	0	0	111.8	G161 G162 R167 S168 G169 N170 L171	G161-A165 VanDerWaalsContact C-CB 3.5Å; G161-A165 WeakPolarHBondContact O-CB 3.28Å; G162-A165 PolarHBondContact O-N 3.5Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 3.38Å; A165-S168 WeakPolarHBondContact CA-OG 3.32Å; A165-S168 PolarHBondContact O-N 3.34Å; A165-S168 PolarHBondContact O-OG 3.18Å; A165-G169 PolarHBondContact O-N 3.23Å; A165-N170 PolarHBondContact O-N 2.65Å; A165-L171 HydrophobicContact CB-CD2 3.77Å; A165-L171 HydrophobicContact CB-CG 4.29Å
166	A	93.8	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-41.9	176.2	0	0	0	0	0	112.1	M50 P53 M54 N57 G162 V163 L171	M50-A166 HydrophobicContact CE-CB 3.9Å; M50-A166 HydrophobicContact SD-CB 4.15Å; P53-A166 HydrophobicContact CB-CB 4.28Å; P53-A166 HydrophobicContact CG-CB 3.78Å; M54-A166 HydrophobicContact CG-CB 4.43Å; N57-A166 PolarHBondContact ND2-O 3.32Å; G162-A166 PolarHBondContact O-N 2.75Å; V163-A166 PolarHBondContact O-N 2.92Å; A166-L171 HydrophobicContact CB-CD1 4Å; A166-L171 HydrophobicContact CB-CD2 4.14Å; A166-L171 HydrophobicContact CB-CG 4.28Å
167	R	93.9	Very high	94.8	Very high	173 Å²	173	30.5 Å²	30.5	65%	0.653	20%	0.197	S	C	*	.	H	α-helix	trans	-69.1	-40.5	177.1	-73.7	176.9	-177.7	-158	1	113	P53 V163 G164 A165 G169	P53-R167 HydrophobicContact CB-CB 4.36Å; P53-R167 HydrophobicContact CB-CG 3.66Å; P53-R167 HydrophobicContact CG-CG 4.24Å; V163-R167 HydrophobicContact CG1-CG 4.45Å; V163-R167 WeakPolarHBondContact O-CG 3.26Å; V163-R167 PolarHBondContact O-N 3.18Å; G164-R167 PolarHBondContact O-N 2.98Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 3.38Å; R167-G169 VanDerWaalsContact C-N 3.34Å
168	S	95.7	Very high	94.7	Very high	71 Å²	71	34.7 Å²	34.7	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-78.8	-15.5	-178.1	49.2	0	0	0	0	113.9	G164 A165 N170	G164-S168 PolarHBondContact O-N 3.15Å; G164-S168 VanDerWaalsContact O-N 3.08Å; G164-S168 PolarHBondContact O-OG 3.17Å; A165-S168 WeakPolarHBondContact CA-OG 3.32Å; A165-S168 PolarHBondContact O-N 3.34Å; A165-S168 PolarHBondContact O-OG 3.18Å; S168-N170 PolarHBondContact O-OD1 3.25Å
169	G	97.4	Very high	94.6	Very high	14 Å²	14	40.8 Å²	40.8	14%	0.144	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	21.7	-174	0	0	0	0	0	112.7	N57 A165 R167 M192 G193 S194	N57-G169 PolarHBondContact ND2-N 3.36Å; A165-G169 PolarHBondContact O-N 3.23Å; R167-G169 VanDerWaalsContact C-N 3.34Å; G169-M192 CarbonylContact C-O 3.43Å; G169-M192 WeakPolarHBondContact CA-O 3.34Å; G169-M192 CarbonylContact O-C 3.56Å; G169-G193 CarbonylContact O-C 3.56Å; G169-G193 WeakPolarHBondContact O-CA 3.44Å; G169-G193 PolarHBondContact O-N 2.88Å; G169-S194 PolarHBondContact O-N 2.72Å
170	N	97.4	Very high	94.6	Very high	94 Å²	94	47.5 Å²	47.5	50%	0.503	29%	0.287	S	S	.	.			trans	-107.7	17.6	-173.7	-71.2	27.4	0	0	0	113.1	A165 S168 S194	A165-N170 PolarHBondContact O-N 2.65Å; S168-N170 PolarHBondContact O-OD1 3.25Å; N170-S194 PolarHBondContact O-OG 3.49Å; N170-S194 VanDerWaalsContact O-OG 3.08Å
171	L	97.4	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	153.9	174.9	-66.9	170.1	0	0	0	112.1	M50 M54 V159 S160 A165 A166 F173 G193 S194 N195	M50-L171 HydrophobicContact CE-CD1 4.41Å; M50-L171 HydrophobicContact CE-CD2 3.71Å; M54-L171 HydrophobicContact CG-CD1 3.77Å; M54-L171 HydrophobicContact SD-CD1 3.98Å; V159-L171 HydrophobicContact CB-CD1 4.36Å; V159-L171 HydrophobicContact CB-CD2 4.31Å; V159-L171 HydrophobicContact CG1-CD1 4.17Å; S160-L171 WeakPolarHBondContact O-CD2 3.08Å; A165-L171 HydrophobicContact CB-CD2 3.77Å; A165-L171 HydrophobicContact CB-CG 4.29Å; A166-L171 HydrophobicContact CB-CD1 4Å; A166-L171 HydrophobicContact CB-CD2 4.14Å; A166-L171 HydrophobicContact CB-CG 4.28Å; L171-F173 HydrophobicContact CB-CD2 4.33Å; L171-F173 HydrophobicContact CB-CE2 3.9Å; L171-F173 HydrophobicContact CD1-CE2 4.31Å; L171-F173 HydrophobicContact CD1-CZ 4.17Å; L171-G193 CarbonylContact O-C 3.54Å; L171-G193 WeakPolarHBondContact O-CA 3.36Å; L171-S194 PolarHBondContact O-N 3.37Å; L171-N195 PolarHBondContact O-N 3.38Å
172	T	98.5	Very high	95.5	Very high	44 Å²	44	48 Å²	48	27%	0.27	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.8	163.1	-61.1	0	0	0	0	108.7	V159 S160 N195	V159-T172 CarbonylContact C-O 3.57Å; V159-T172 VanDerWaalsContact CA-O 3.31Å; V159-T172 WeakPolarHBondContact CA-O 3.41Å; S160-T172 PolarHBondContact N-O 2.99Å; S160-T172 PolarHBondContact O-N 3.02Å; T172-N195 CarbonylContact C-O 3.49Å; T172-N195 WeakPolarHBondContact CA-O 3.29Å; T172-N195 HydrophobicContact CG2-CB 4.03Å
173	F	98.8	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.6	171.8	-71.4	-93	0	0	0	109.8	M54 A157 V159 L171 V175 L189 M192 N195 V196 V197	M54-F173 HydrophobicContact CE-CE1 4.16Å; M54-F173 HydrophobicContact CE-CZ 4.08Å; A157-F173 HydrophobicContact CB-CD1 4.12Å; A157-F173 WeakPolarHBondContact O-CD1 3.46Å; V159-F173 HydrophobicContact CG1-CD1 3.39Å; V159-F173 HydrophobicContact CG1-CD2 4.43Å; V159-F173 HydrophobicContact CG1-CE1 3.11Å; V159-F173 HydrophobicContact CG1-CE2 4.22Å; V159-F173 HydrophobicContact CG1-CG 4.05Å; V159-F173 HydrophobicContact CG1-CZ 3.59Å; L171-F173 HydrophobicContact CB-CD2 4.33Å; L171-F173 HydrophobicContact CB-CE2 3.9Å; L171-F173 HydrophobicContact CD1-CE2 4.31Å; L171-F173 HydrophobicContact CD1-CZ 4.17Å; F173-V175 HydrophobicContact CB-CG2 4.12Å; F173-L189 HydrophobicContact CB-CD1 4.16Å; F173-L189 HydrophobicContact CD1-CB 4.31Å; F173-L189 HydrophobicContact CD1-CD1 3.96Å; F173-L189 HydrophobicContact CD1-CD2 3.68Å; F173-L189 HydrophobicContact CD1-CG 4.18Å; F173-L189 HydrophobicContact CD2-CB 4.09Å; F173-L189 HydrophobicContact CE1-CD2 3.52Å; F173-L189 HydrophobicContact CE1-CG 4.44Å; F173-L189 HydrophobicContact CE2-CB 4.35Å; F173-L189 WeakPolarHBondContact CE2-O 3.3Å; F173-L189 HydrophobicContact CG-CB 4.08Å; F173-L189 HydrophobicContact CG-CD1 4.12Å; F173-L189 HydrophobicContact CG-CD2 4.3Å; F173-L189 HydrophobicContact CG-CG 4.39Å; F173-L189 HydrophobicContact CZ-CD2 4.03Å; F173-M192 HydrophobicContact CE1-CE 4.37Å; F173-M192 HydrophobicContact CE2-CB 3.95Å; F173-M192 HydrophobicContact CZ-CB 3.89Å; F173-M192 HydrophobicContact CZ-CE 3.88Å; F173-N195 PolarHBondContact N-O 3.09Å; F173-V196 HydrophobicContact CB-CG1 4.18Å; F173-V196 HydrophobicContact CB-CG2 4.37Å; F173-V196 HydrophobicContact CD2-CG2 4.34Å; F173-V197 PolarHBondContact O-N 3.31Å
174	M	98.8	Very high	96.6	Very high	20 Å²	20	50 Å²	50	10%	0.099	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.5	173.6	-72.3	160.6	-79.5	0	0	107.5	A157 P158 G205 A208 K209	A157-M174 WeakPolarHBondContact CA-O 3.44Å; P158-M174 WeakPolarHBondContact CD-O 3.32Å; P158-M174 PolarHBondContact O-N 3.5Å; P158-M174 VanDerWaalsContact O-N 3.11Å; M174-G205 VanDerWaalsContact O-CA 3.26Å; M174-G205 WeakPolarHBondContact O-CA 3.16Å; M174-A208 HydrophobicContact CB-CB 4.32Å; M174-A208 HydrophobicContact CG-CB 4.25Å; M174-A208 HydrophobicContact SD-CB 3.88Å; M174-K209 HydrophobicContact CE-CB 3.75Å; M174-K209 HydrophobicContact CE-CD 3.61Å; M174-K209 HydrophobicContact CE-CG 4.22Å; M174-K209 HydrophobicContact SD-CB 4.11Å
175	V	98.9	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.6	-162.7	-171	0	0	0	0	111.3	M155 D156 A157 F173 F182 L189 V196 V197 C199	M155-V175 HydrophobicContact CB-CG1 4.35Å; M155-V175 HydrophobicContact CE-CG1 3.55Å; M155-V175 HydrophobicContact SD-CG1 4.28Å; D156-V175 CarbonylContact O-C 3.39Å; D156-V175 VanDerWaalsContact O-CA 3.28Å; D156-V175 WeakPolarHBondContact O-CA 3.33Å; A157-V175 HydrophobicContact CB-CG1 4.46Å; A157-V175 HydrophobicContact CB-CG2 4.07Å; F173-V175 HydrophobicContact CB-CG2 4.12Å; V175-F182 HydrophobicContact CB-CD2 4Å; V175-F182 HydrophobicContact CB-CE2 3.81Å; V175-F182 HydrophobicContact CG1-CD2 3.97Å; V175-F182 HydrophobicContact CG1-CE2 4.26Å; V175-F182 HydrophobicContact CG2-CD2 4.47Å; V175-F182 HydrophobicContact CG2-CE2 3.94Å; V175-L189 HydrophobicContact CG2-CD1 3.66Å; V175-V196 HydrophobicContact CG2-CG1 3.71Å; V175-V197 PolarHBondContact N-O 3.27Å; V175-C199 PolarHBondContact O-N 3.31Å
176	G	98.9	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.5	168	0	0	0	0	0	111.5	M155 D156 G200	M155-G176 CarbonylContact C-O 3.35Å; M155-G176 VanDerWaalsContact CA-O 3.23Å; M155-G176 WeakPolarHBondContact CA-O 3.38Å; M155-G176 WeakPolarHBondContact CB-O 3.39Å; D156-G176 PolarHBondContact N-O 2.91Å; D156-G176 VanDerWaalsContact N-O 3.08Å; D156-G176 PolarHBondContact O-N 3.33Å; D156-G176 VanDerWaalsContact OD1-CA 3.31Å; D156-G176 WeakPolarHBondContact OD1-CA 3.37Å; D156-G176 VanDerWaalsContact OD1-O 3.12Å; G176-G200 CarbonylContact C-O 3.37Å; G176-G200 VanDerWaalsContact CA-O 3.32Å; G176-G200 WeakPolarHBondContact CA-O 3.48Å
177	G	98.6	Very high	97.8	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	164.9	-173.6	-179.7	0	0	0	0	0	113.4	E179 Y198 G200	G177-E179 PolarHBondContact O-N 3.15Å; G177-Y198 WeakPolarHBondContact O-CE2 3.36Å; G177-Y198 PolarHBondContact O-OH 3.47Å; G177-G200 PolarHBondContact N-O 2.98Å; G177-G200 VanDerWaalsContact O-O 3.07Å
178	V	97.7	Very high	98	Very high	87 Å²	87	47.5 Å²	47.5	53%	0.527	27%	0.268	S	S	.	.			trans	-66.7	128.3	167.9	179.9	0	0	0	0	108.2	D180 E181	V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 HydrophobicContact CG1-CB 4.33Å; V178-D180 PolarHBondContact O-N 2.9Å; V178-E181 HydrophobicContact CB-CG 4.29Å; V178-E181 PolarHBondContact O-N 2.95Å; V178-E181 VanDerWaalsContact O-N 3.17Å
179	E	97.3	Very high	98.1	Very high	129 Å²	129	44.1 Å²	44.1	60%	0.603	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-61.4	-38	-173.2	-170.3	170.3	-178.9	0	0	112.7	G177 E181 F182 Y198	G177-E179 PolarHBondContact O-N 3.15Å; E179-E181 PolarHBondContact O-N 3.17Å; E179-E181 VanDerWaalsContact O-N 3.09Å; E179-F182 WeakPolarHBondContact O-CB 3.37Å; E179-F182 PolarHBondContact O-N 3.42Å; E179-Y198 HydrophobicContact CB-CE1 3.85Å; E179-Y198 HydrophobicContact CB-CE2 4.32Å; E179-Y198 HydrophobicContact CG-CD1 4.14Å; E179-Y198 HydrophobicContact CG-CE1 3.68Å; E179-Y198 PolarHBondContact N-OH 3.05Å
180	D	97.9	Very high	98.2	Very high	146 Å²	146	45.2 Å²	45.2	78%	0.781	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-58.4	-26.5	179.2	-65.7	-17.2	0	0	0	112.8	V178	V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 HydrophobicContact CG1-CB 4.33Å; V178-D180 PolarHBondContact O-N 2.9Å
181	E	98	Very high	98.2	Very high	70 Å²	70	41.2 Å²	41.2	33%	0.327	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-89.1	-11.2	-179.7	-60.5	-65.7	156.5	0	0	112.6	V153 M155 V178 E179 A183 A184 A185	V153-E181 HydrophobicContact CB-CG 4.49Å; V153-E181 HydrophobicContact CG1-CB 3.99Å; V153-E181 HydrophobicContact CG1-CG 3.74Å; V153-E181 HydrophobicContact CG2-CG 4.04Å; M155-E181 HydrophobicContact SD-CB 4.15Å; V178-E181 HydrophobicContact CB-CG 4.29Å; V178-E181 PolarHBondContact O-N 2.95Å; V178-E181 VanDerWaalsContact O-N 3.17Å; E179-E181 PolarHBondContact O-N 3.17Å; E179-E181 VanDerWaalsContact O-N 3.09Å; E181-A183 VanDerWaalsContact C-N 3.35Å; E181-A183 PolarHBondContact O-N 2.64Å; E181-A184 PolarHBondContact O-N 2.73Å; E181-A185 PolarHBondContact O-N 2.81Å
182	F	98.6	Very high	98.3	Very high	28 Å²	28	41.2 Å²	41.2	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-39.9	-176.5	177.1	-105.1	0	0	0	112.4	M155 V175 E179 A184 A185 Q186 V196 Y198	M155-F182 HydrophobicContact CE-CB 4.32Å; V175-F182 HydrophobicContact CB-CD2 4Å; V175-F182 HydrophobicContact CB-CE2 3.81Å; V175-F182 HydrophobicContact CG1-CD2 3.97Å; V175-F182 HydrophobicContact CG1-CE2 4.26Å; V175-F182 HydrophobicContact CG2-CD2 4.47Å; V175-F182 HydrophobicContact CG2-CE2 3.94Å; E179-F182 WeakPolarHBondContact O-CB 3.37Å; E179-F182 PolarHBondContact O-N 3.42Å; F182-A184 VanDerWaalsContact C-N 3.29Å; F182-A184 PolarHBondContact O-N 2.82Å; F182-A185 PolarHBondContact O-N 2.57Å; F182-Q186 HydrophobicContact CE1-CB 4.41Å; F182-Q186 HydrophobicContact CZ-CB 4.47Å; F182-Q186 VanDerWaalsContact O-CB 3.3Å; F182-Q186 WeakPolarHBondContact O-CB 3.48Å; F182-Q186 PolarHBondContact O-N 3.3Å; F182-V196 HydrophobicContact CE2-CG1 3.81Å; F182-V196 HydrophobicContact CZ-CG1 3.91Å; F182-Y198 HydrophobicContact CB-CD2 4.07Å; F182-Y198 AromaticContact CD2-CD2 3.7Å; F182-Y198 HydrophobicContact CD2-CD2 3.7Å; F182-Y198 HydrophobicContact CD2-CG 4.17Å; F182-Y198 HydrophobicContact CE2-CD2 4.37Å; F182-Y198 AromaticContact CG-CD2 3.94Å; F182-Y198 HydrophobicContact CG-CD2 3.94Å; F182-Y198 HydrophobicContact CG-CG 4.24Å
183	A	98.3	Very high	98.3	Very high	70 Å²	70	39.4 Å²	39.4	58%	0.579	23%	0.226	S	C	*	.	H	α-helix	trans	-61	-39.9	178.6	0	0	0	0	0	111.7	E181 Q186 E187	E181-A183 VanDerWaalsContact C-N 3.35Å; E181-A183 PolarHBondContact O-N 2.64Å; A183-Q186 PolarHBondContact O-N 2.89Å; A183-E187 PolarHBondContact O-N 3.22Å
184	A	97.3	Very high	98.2	Very high	33 Å²	33	42.6 Å²	42.6	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-47.5	174.4	0	0	0	0	0	110.5	R98 L128 E181 F182 Q186 E187	R98-A184 PolarHBondContact NH2-O 2.76Å; L128-A184 HydrophobicContact CD2-CB 4.11Å; E181-A184 PolarHBondContact O-N 2.73Å; F182-A184 VanDerWaalsContact C-N 3.29Å; F182-A184 PolarHBondContact O-N 2.82Å; A184-Q186 VanDerWaalsContact C-N 3.31Å; A184-Q186 PolarHBondContact O-N 3.36Å; A184-E187 WeakPolarHBondContact O-CB 3.42Å; A184-E187 PolarHBondContact O-N 2.95Å
185	A	98.2	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-42.4	176.4	0	0	0	0	0	112.3	L128 I130 M155 E181 F182 E187 L188 L189	L128-A185 HydrophobicContact CD2-CB 4.45Å; I130-A185 HydrophobicContact CD1-CB 3.88Å; M155-A185 HydrophobicContact CE-CB 4.47Å; M155-A185 HydrophobicContact SD-CB 3.53Å; M155-A185 VanDerWaalsContact SD-CB 3.53Å; E181-A185 PolarHBondContact O-N 2.81Å; F182-A185 PolarHBondContact O-N 2.57Å; A185-E187 VanDerWaalsContact C-N 3.29Å; A185-E187 PolarHBondContact O-N 3.28Å; A185-L188 PolarHBondContact O-N 2.85Å; A185-L188 VanDerWaalsContact O-N 3.1Å; A185-L189 HydrophobicContact CB-CD1 4.36Å; A185-L189 WeakPolarHBondContact O-CB 3.11Å; A185-L189 VanDerWaalsContact O-CG 3.27Å; A185-L189 WeakPolarHBondContact O-CG 3.38Å; A185-L189 PolarHBondContact O-N 3.46Å
186	Q	98.4	Very high	98.2	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-35.8	-179	-175.1	174.4	18.4	0	0	113	F182 A183 A184 L188 G190 V196	F182-Q186 HydrophobicContact CE1-CB 4.41Å; F182-Q186 HydrophobicContact CZ-CB 4.47Å; F182-Q186 VanDerWaalsContact O-CB 3.3Å; F182-Q186 WeakPolarHBondContact O-CB 3.48Å; F182-Q186 PolarHBondContact O-N 3.3Å; A183-Q186 PolarHBondContact O-N 2.89Å; A184-Q186 VanDerWaalsContact C-N 3.31Å; A184-Q186 PolarHBondContact O-N 3.36Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 3.03Å; Q186-G190 PolarHBondContact O-N 2.83Å; Q186-V196 HydrophobicContact CB-CG1 4.3Å; Q186-V196 HydrophobicContact CG-CB 4.09Å; Q186-V196 HydrophobicContact CG-CG1 4.2Å; Q186-V196 HydrophobicContact CG-CG2 4.42Å
187	E	97.8	Very high	98.2	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-57	-44	174.6	-169.6	-150.8	156.7	0	0	112	Y63 R98 A183 A184 A185 C191	Y63-E187 PolarHBondContact OH-OE1 3.17Å; R98-E187 IonicContact CZ-OE2 2.74Å; R98-E187 IonicContact NH1-OE1 2.63Å; R98-E187 IonicContact NH1-OE2 2.8Å; R98-E187 PolarHBondContact NH1-OE2 3.45Å; R98-E187 IonicContact NH2-OE2 3.62Å; R98-E187 PolarHBondContact NH2-OE2 3.08Å; A183-E187 PolarHBondContact O-N 3.22Å; A184-E187 WeakPolarHBondContact O-CB 3.42Å; A184-E187 PolarHBondContact O-N 2.95Å; A185-E187 VanDerWaalsContact C-N 3.29Å; A185-E187 PolarHBondContact O-N 3.28Å; E187-C191 PolarHBondContact O-SG 3.34Å; E187-C191 VanDerWaalsContact O-SG 3.39Å
188	L	97.9	Very high	98.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-76.8	-48.2	178.2	-71.9	178.3	0	0	0	111.8	V42 L58 Y63 R98 I130 A185 Q186 G190 C191	V42-L188 HydrophobicContact CG2-CD2 3.76Å; L58-L188 HydrophobicContact CD2-CD2 4.49Å; Y63-L188 HydrophobicContact CD1-CD2 4.13Å; Y63-L188 HydrophobicContact CE1-CD2 3.65Å; Y63-L188 HydrophobicContact CE2-CD2 4.18Å; R98-L188 HydrophobicContact CB-CD1 3.95Å; R98-L188 VanDerWaalsContact NE-CD1 3.33Å; I130-L188 HydrophobicContact CD1-CD1 4.38Å; A185-L188 PolarHBondContact O-N 2.85Å; A185-L188 VanDerWaalsContact O-N 3.1Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 3.03Å; L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 2.99Å; L188-C191 VanDerWaalsContact O-CB 3.31Å; L188-C191 WeakPolarHBondContact O-CB 3.24Å; L188-C191 PolarHBondContact O-N 2.77Å; L188-C191 VanDerWaalsContact O-N 3.12Å
189	L	98.8	Very high	98.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-33.4	-174.5	-64.2	-176.8	0	0	0	111.9	I130 A157 F173 V175 A185 C191 M192 G193 V196	I130-L189 HydrophobicContact CD1-CD2 4.4Å; I130-L189 HydrophobicContact CD1-CG 4.41Å; I130-L189 HydrophobicContact CG2-CD1 4.44Å; I130-L189 HydrophobicContact CG2-CD2 4.11Å; A157-L189 HydrophobicContact CB-CD1 3.77Å; F173-L189 HydrophobicContact CB-CD1 4.16Å; F173-L189 HydrophobicContact CD1-CB 4.31Å; F173-L189 HydrophobicContact CD1-CD1 3.96Å; F173-L189 HydrophobicContact CD1-CD2 3.68Å; F173-L189 HydrophobicContact CD1-CG 4.18Å; F173-L189 HydrophobicContact CD2-CB 4.09Å; F173-L189 HydrophobicContact CE1-CD2 3.52Å; F173-L189 HydrophobicContact CE1-CG 4.44Å; F173-L189 HydrophobicContact CE2-CB 4.35Å; F173-L189 WeakPolarHBondContact CE2-O 3.3Å; F173-L189 HydrophobicContact CG-CB 4.08Å; F173-L189 HydrophobicContact CG-CD1 4.12Å; F173-L189 HydrophobicContact CG-CD2 4.3Å; F173-L189 HydrophobicContact CG-CG 4.39Å; F173-L189 HydrophobicContact CZ-CD2 4.03Å; V175-L189 HydrophobicContact CG2-CD1 3.66Å; A185-L189 HydrophobicContact CB-CD1 4.36Å; A185-L189 WeakPolarHBondContact O-CB 3.11Å; A185-L189 VanDerWaalsContact O-CG 3.27Å; A185-L189 WeakPolarHBondContact O-CG 3.38Å; A185-L189 PolarHBondContact O-N 3.46Å; L189-C191 PolarHBondContact O-N 3.48Å; L189-M192 HydrophobicContact CD2-CE 3.65Å; L189-M192 PolarHBondContact O-N 2.83Å; L189-G193 PolarHBondContact O-N 2.98Å; L189-V196 HydrophobicContact CB-CG1 4.11Å; L189-V196 HydrophobicContact CB-CG2 3.84Å; L189-V196 HydrophobicContact CD1-CG1 4.05Å
190	G	98.5	Very high	98.3	Very high	38 Å²	38	45.9 Å²	45.9	39%	0.392	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.2	175	0	0	0	0	0	114.2	Q186 L188 M192 G193	Q186-G190 PolarHBondContact O-N 2.83Å; L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 2.99Å; G190-M192 PolarHBondContact O-N 2.95Å; G190-G193 VanDerWaalsContact O-O 3.13Å
191	C	98.6	Very high	98.3	Very high	10 Å²	10	42.1 Å²	42.1	7%	0.068	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.9	172.3	-62.6	0	0	0	0	112.5	N57 L58 H61 E187 L188 L189	N57-C191 WeakPolarHBondContact CB-O 3.4Å; L58-C191 HydrophobicContact CD2-CB 3.93Å; H61-C191 HydrophobicContact CB-CB 4.12Å; H61-C191 PolarHBondContact CE1-O 3.42Å; H61-C191 VanDerWaalsContact CE1-O 3.25Å; H61-C191 PolarHBondContact ND1-O 3.27Å; E187-C191 PolarHBondContact O-SG 3.34Å; E187-C191 VanDerWaalsContact O-SG 3.39Å; L188-C191 VanDerWaalsContact O-CB 3.31Å; L188-C191 WeakPolarHBondContact O-CB 3.24Å; L188-C191 PolarHBondContact O-N 2.77Å; L188-C191 VanDerWaalsContact O-N 3.12Å; L189-C191 PolarHBondContact O-N 3.48Å
192	M	98.7	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-11	-174.9	-57	178	-71.6	0	0	112.7	F44 M54 N57 L58 I100 G169 F173 L189 G190	F44-M192 HydrophobicContact CE2-SD 4.11Å; M54-M192 HydrophobicContact CB-CG 4.46Å; M54-M192 HydrophobicContact CB-SD 3.72Å; M54-M192 HydrophobicContact CE-SD 4.14Å; M54-M192 HydrophobicContact CG-SD 4.28Å; N57-M192 HydrophobicContact CB-CG 4.36Å; L58-M192 HydrophobicContact CD1-CE 4.49Å; L58-M192 HydrophobicContact CD1-SD 3.84Å; L58-M192 HydrophobicContact CD2-CE 4.39Å; L58-M192 HydrophobicContact CD2-CG 4.15Å; L58-M192 HydrophobicContact CD2-SD 4.21Å; L58-M192 HydrophobicContact CG-CG 3.97Å; L58-M192 HydrophobicContact CG-SD 3.82Å; I100-M192 HydrophobicContact CD1-CE 3.63Å; I100-M192 HydrophobicContact CD1-SD 4.38Å; G169-M192 CarbonylContact C-O 3.43Å; G169-M192 WeakPolarHBondContact CA-O 3.34Å; G169-M192 CarbonylContact O-C 3.56Å; F173-M192 HydrophobicContact CE1-CE 4.37Å; F173-M192 HydrophobicContact CE2-CB 3.95Å; F173-M192 HydrophobicContact CZ-CB 3.89Å; F173-M192 HydrophobicContact CZ-CE 3.88Å; L189-M192 HydrophobicContact CD2-CE 3.65Å; L189-M192 PolarHBondContact O-N 2.83Å; G190-M192 PolarHBondContact O-N 2.95Å
193	G	98.3	Very high	98.4	Very high	6 Å²	6	38.9 Å²	38.9	6%	0.062	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.3	-173.6	0	0	0	0	0	113.1	G169 L171 L189 G190	G169-G193 CarbonylContact O-C 3.56Å; G169-G193 WeakPolarHBondContact O-CA 3.44Å; G169-G193 PolarHBondContact O-N 2.88Å; L171-G193 CarbonylContact O-C 3.54Å; L171-G193 WeakPolarHBondContact O-CA 3.36Å; L189-G193 PolarHBondContact O-N 2.98Å; G190-G193 VanDerWaalsContact O-O 3.13Å
194	S	97.5	Very high	98.4	Very high	67 Å²	67	37.6 Å²	37.6	47%	0.469	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-24.4	176.9	59.5	0	0	0	0	112.4	G169 N170 L171	G169-S194 PolarHBondContact O-N 2.72Å; N170-S194 PolarHBondContact O-OG 3.49Å; N170-S194 VanDerWaalsContact O-OG 3.08Å; L171-S194 PolarHBondContact O-N 3.37Å
195	N	98.1	Very high	98.5	Very high	85 Å²	85	36 Å²	36	46%	0.455	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.1	178.9	-66.9	-78	0	0	0	109.3	L171 T172 F173	L171-N195 PolarHBondContact O-N 3.38Å; T172-N195 CarbonylContact C-O 3.49Å; T172-N195 WeakPolarHBondContact CA-O 3.29Å; T172-N195 HydrophobicContact CG2-CB 4.03Å; F173-N195 PolarHBondContact N-O 3.09Å
196	V	98.7	Very high	98.5	Very high	22 Å²	22	36 Å²	36	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.4	173.1	-173.8	0	0	0	0	106.3	F173 V175 F182 Q186 L189	F173-V196 HydrophobicContact CB-CG1 4.18Å; F173-V196 HydrophobicContact CB-CG2 4.37Å; F173-V196 HydrophobicContact CD2-CG2 4.34Å; V175-V196 HydrophobicContact CG2-CG1 3.71Å; F182-V196 HydrophobicContact CE2-CG1 3.81Å; F182-V196 HydrophobicContact CZ-CG1 3.91Å; Q186-V196 HydrophobicContact CB-CG1 4.3Å; Q186-V196 HydrophobicContact CG-CB 4.09Å; Q186-V196 HydrophobicContact CG-CG1 4.2Å; Q186-V196 HydrophobicContact CG-CG2 4.42Å; L189-V196 HydrophobicContact CB-CG1 4.11Å; L189-V196 HydrophobicContact CB-CG2 3.84Å; L189-V196 HydrophobicContact CD1-CG1 4.05Å
197	V	98.7	Very high	98.5	Very high	73 Å²	73	33.7 Å²	33.7	44%	0.442	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.7	-170.1	-175.9	0	0	0	0	108.9	F173 V175	F173-V197 PolarHBondContact O-N 3.31Å; V175-V197 PolarHBondContact N-O 3.27Å
198	Y	98.8	Very high	98.5	Very high	65 Å²	65	30.9 Å²	30.9	26%	0.255	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.1	171.1	-175	-117	0	0	0	109.9	G177 E179 F182 G200	G177-Y198 WeakPolarHBondContact O-CE2 3.36Å; G177-Y198 PolarHBondContact O-OH 3.47Å; E179-Y198 HydrophobicContact CB-CE1 3.85Å; E179-Y198 HydrophobicContact CB-CE2 4.32Å; E179-Y198 HydrophobicContact CG-CD1 4.14Å; E179-Y198 HydrophobicContact CG-CE1 3.68Å; E179-Y198 PolarHBondContact N-OH 3.05Å; F182-Y198 HydrophobicContact CB-CD2 4.07Å; F182-Y198 AromaticContact CD2-CD2 3.7Å; F182-Y198 HydrophobicContact CD2-CD2 3.7Å; F182-Y198 HydrophobicContact CD2-CG 4.17Å; F182-Y198 HydrophobicContact CE2-CD2 4.37Å; F182-Y198 AromaticContact CG-CD2 3.94Å; F182-Y198 HydrophobicContact CG-CD2 3.94Å; F182-Y198 HydrophobicContact CG-CG 4.24Å; Y198-G200 VanDerWaalsContact CE2-O 3.22Å; Y198-G200 WeakPolarHBondContact CE2-O 3.29Å; Y198-G200 VanDerWaalsContact CZ-O 3.3Å; Y198-G200 VanDerWaalsContact OH-C 3.27Å; Y198-G200 PolarHBondContact OH-O 3.42Å
199	C	98.6	Very high	98.6	Very high	43 Å²	43	31.3 Å²	31.3	29%	0.291	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-8.2	-176.3	-62.4	0	0	0	0	113.1	V175 T204	V175-C199 PolarHBondContact O-N 3.31Å; C199-T204 WeakPolarHBondContact CB-OG1 3.2Å; C199-T204 WeakPolarHBondContact O-CB 3.24Å; C199-T204 PolarHBondContact O-OG1 3.47Å
200	G	98.7	Very high	98.5	Very high	19 Å²	19	31.7 Å²	31.7	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.7	-149	-175.9	0	0	0	0	0	112.6	G176 G177 Y198 T204	G176-G200 CarbonylContact C-O 3.37Å; G176-G200 VanDerWaalsContact CA-O 3.32Å; G176-G200 WeakPolarHBondContact CA-O 3.48Å; G177-G200 PolarHBondContact N-O 2.98Å; G177-G200 VanDerWaalsContact O-O 3.07Å; Y198-G200 VanDerWaalsContact CE2-O 3.22Å; Y198-G200 WeakPolarHBondContact CE2-O 3.29Å; Y198-G200 VanDerWaalsContact CZ-O 3.3Å; Y198-G200 VanDerWaalsContact OH-C 3.27Å; Y198-G200 PolarHBondContact OH-O 3.42Å; G200-T204 VanDerWaalsContact C-OG1 3.25Å; G200-T204 PolarHBondContact N-OG1 2.68Å; G200-T204 PolarHBondContact O-OG1 3.08Å
201	A	98.8	Very high	98.6	Very high	67 Å²	67	33.5 Å²	33.5	55%	0.554	22%	0.221	S	C	*	.	S	Bend	trans	-63.5	168.3	-177.6	0	0	0	0	0	113.4	G203 T204	A201-G203 PolarHBondContact O-N 3.48Å; A201-T204 VanDerWaalsContact O-CB 3.31Å; A201-T204 WeakPolarHBondContact O-CB 3.46Å; A201-T204 VanDerWaalsContact O-CG2 3.24Å; A201-T204 WeakPolarHBondContact O-CG2 3.45Å; A201-T204 PolarHBondContact O-N 3.36Å; A201-T204 VanDerWaalsContact O-N 3.09Å; A201-T204 PolarHBondContact O-OG1 3.26Å
202	V	98.8	Very high	98.5	Very high	26 Å²	26	36.4 Å²	36.4	16%	0.158	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	134.7	177.6	177.6	0	0	0	0	112	S140 K141 A144 F154 D156	S140-V202 WeakPolarHBondContact O-CG1 3.41Å; K141-V202 WeakPolarHBondContact CE-O 3.29Å; K141-V202 HydrophobicContact CG-CG1 4.26Å; A144-V202 HydrophobicContact CB-CB 4.29Å; A144-V202 HydrophobicContact CB-CG1 3.82Å; A144-V202 HydrophobicContact CB-CG2 3.96Å; F154-V202 HydrophobicContact CD1-CG1 3.98Å; F154-V202 HydrophobicContact CD1-CG2 4.45Å; F154-V202 HydrophobicContact CE1-CG1 4.04Å; D156-V202 WeakPolarHBondContact OD1-CA 3.5Å
203	G	98.5	Very high	98.5	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	-11.7	-177.7	0	0	0	0	0	113.7	D156 A201 Q206 A207	D156-G203 VanDerWaalsContact CG-N 3.33Å; D156-G203 PolarHBondContact OD1-N 3.45Å; D156-G203 WeakPolarHBondContact OD2-CA 3.44Å; D156-G203 PolarHBondContact OD2-N 2.75Å; A201-G203 PolarHBondContact O-N 3.48Å; G203-Q206 PolarHBondContact O-N 3.22Å; G203-A207 WeakPolarHBondContact O-CB 3.24Å; G203-A207 PolarHBondContact O-N 3.38Å
204	T	98.8	Very high	98.5	Very high	44 Å²	44	38.3 Å²	38.3	27%	0.27	24%	0.243	S	C	.	.	H	α-helix	trans	-73.6	-29.1	178.1	57.4	0	0	0	0	112.9	C199 G200 A201 A207 A208	C199-T204 WeakPolarHBondContact CB-OG1 3.2Å; C199-T204 WeakPolarHBondContact O-CB 3.24Å; C199-T204 PolarHBondContact O-OG1 3.47Å; G200-T204 VanDerWaalsContact C-OG1 3.25Å; G200-T204 PolarHBondContact N-OG1 2.68Å; G200-T204 PolarHBondContact O-OG1 3.08Å; A201-T204 VanDerWaalsContact O-CB 3.31Å; A201-T204 WeakPolarHBondContact O-CB 3.46Å; A201-T204 VanDerWaalsContact O-CG2 3.24Å; A201-T204 WeakPolarHBondContact O-CG2 3.45Å; A201-T204 PolarHBondContact O-N 3.36Å; A201-T204 VanDerWaalsContact O-N 3.09Å; A201-T204 PolarHBondContact O-OG1 3.26Å; T204-A207 PolarHBondContact O-N 3.28Å; T204-A208 WeakPolarHBondContact O-CB 3.49Å; T204-A208 PolarHBondContact O-N 3.31Å
205	G	98.8	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-46.7	171.2	0	0	0	0	0	111.1	D156 P158 M174 A208 K209	D156-G205 VanDerWaalsContact OD2-CA 3.22Å; D156-G205 WeakPolarHBondContact OD2-CA 3.47Å; D156-G205 PolarHBondContact OD2-N 3.17Å; P158-G205 VanDerWaalsContact CG-O 3.27Å; P158-G205 WeakPolarHBondContact CG-O 3.35Å; M174-G205 VanDerWaalsContact O-CA 3.26Å; M174-G205 WeakPolarHBondContact O-CA 3.16Å; G205-A208 PolarHBondContact O-N 2.95Å; G205-K209 PolarHBondContact O-N 3.46Å
206	Q	98.8	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-47.4	171.9	-60.7	-57.4	-18.7	0	0	112	S133 I135 P137 S140 D156 G203 A208 K209 I210	S133-Q206 PolarHBondContact O-NE2 3.3Å; I135-Q206 HydrophobicContact CG1-CG 4.31Å; I135-Q206 PolarHBondContact O-OE1 3.3Å; P137-Q206 HydrophobicContact CB-CB 4.2Å; P137-Q206 HydrophobicContact CG-CB 3.82Å; S140-Q206 WeakPolarHBondContact OG-CG 3.34Å; D156-Q206 HydrophobicContact CB-CG 4Å; D156-Q206 PolarHBondContact OD2-N 3.24Å; G203-Q206 PolarHBondContact O-N 3.22Å; Q206-A208 PolarHBondContact O-N 2.87Å; Q206-K209 PolarHBondContact O-N 3.38Å; Q206-I210 HydrophobicContact CB-CD1 4.43Å; Q206-I210 WeakPolarHBondContact O-CB 3.38Å; Q206-I210 WeakPolarHBondContact O-CD1 3.22Å; Q206-I210 WeakPolarHBondContact O-CG1 3.44Å; Q206-I210 PolarHBondContact O-N 2.89Å
207	A	98.6	Very high	98.6	Very high	41 Å²	41	36.6 Å²	36.6	34%	0.339	23%	0.228	S	C	.	.	H	α-helix	trans	-57.8	-47.7	178.6	0	0	0	0	0	111.8	G203 T204 K209 I210 C211	G203-A207 WeakPolarHBondContact O-CB 3.24Å; G203-A207 PolarHBondContact O-N 3.38Å; T204-A207 PolarHBondContact O-N 3.28Å; A207-K209 PolarHBondContact O-N 3.37Å; A207-I210 PolarHBondContact O-N 3.18Å; A207-C211 WeakPolarHBondContact O-CB 3.4Å; A207-C211 PolarHBondContact O-N 3.04Å; A207-C211 PolarHBondContact O-SG 3.46Å
208	A	98.6	Very high	98.6	Very high	38 Å²	38	35.2 Å²	35.2	31%	0.314	22%	0.217	S	C	.	.	H	α-helix	trans	-58.8	-47.2	177.1	0	0	0	0	0	111.8	M174 T204 G205 Q206 I210 C211 N212	M174-A208 HydrophobicContact CB-CB 4.32Å; M174-A208 HydrophobicContact CG-CB 4.25Å; M174-A208 HydrophobicContact SD-CB 3.88Å; T204-A208 WeakPolarHBondContact O-CB 3.49Å; T204-A208 PolarHBondContact O-N 3.31Å; G205-A208 PolarHBondContact O-N 2.95Å; Q206-A208 PolarHBondContact O-N 2.87Å; A208-I210 PolarHBondContact O-N 3.28Å; A208-C211 PolarHBondContact O-N 3.39Å; A208-N212 WeakPolarHBondContact O-CB 3.47Å; A208-N212 PolarHBondContact O-N 3.47Å
209	K	98.3	Very high	98.6	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.048	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-46	178.2	174.4	62.8	-171.8	-69.6	0	112.4	T134 P158 V159 M174 G205 Q206 A207 N212 N213	T134-K209 HydrophobicContact CG2-CG 3.88Å; T134-K209 PolarHBondContact OG1-NZ 2.91Å; T134-K209 VanDerWaalsContact OG1-NZ 3.09Å; P158-K209 HydrophobicContact CB-CB 3.95Å; P158-K209 HydrophobicContact CB-CG 3.98Å; P158-K209 HydrophobicContact CG-CB 3.81Å; P158-K209 HydrophobicContact CG-CG 4.41Å; V159-K209 WeakPolarHBondContact O-CE 3.33Å; V159-K209 PolarHBondContact O-NZ 3.4Å; M174-K209 HydrophobicContact CE-CB 3.75Å; M174-K209 HydrophobicContact CE-CD 3.61Å; M174-K209 HydrophobicContact CE-CG 4.22Å; M174-K209 HydrophobicContact SD-CB 4.11Å; G205-K209 PolarHBondContact O-N 3.46Å; Q206-K209 PolarHBondContact O-N 3.38Å; A207-K209 PolarHBondContact O-N 3.37Å; K209-N212 PolarHBondContact O-N 3.16Å; K209-N213 VanDerWaalsContact CE-CG 3.46Å; K209-N213 WeakPolarHBondContact CE-ND2 3.44Å; K209-N213 WeakPolarHBondContact CE-OD1 3.48Å; K209-N213 PolarHBondContact O-N 3.38Å
210	I	98.6	Very high	98.6	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-46.3	-178.3	-70.9	164.6	0	0	0	110.3	P137 Q206 A207 A208 N212 N213 M214 L288 A289	P137-I210 HydrophobicContact CG-CD1 3.86Å; Q206-I210 HydrophobicContact CB-CD1 4.43Å; Q206-I210 WeakPolarHBondContact O-CB 3.38Å; Q206-I210 WeakPolarHBondContact O-CD1 3.22Å; Q206-I210 WeakPolarHBondContact O-CG1 3.44Å; Q206-I210 PolarHBondContact O-N 2.89Å; A207-I210 PolarHBondContact O-N 3.18Å; A208-I210 PolarHBondContact O-N 3.28Å; I210-N212 PolarHBondContact O-N 3.38Å; I210-N213 PolarHBondContact O-N 3.02Å; I210-M214 WeakPolarHBondContact O-CB 3.43Å; I210-M214 PolarHBondContact O-N 3.13Å; I210-L288 HydrophobicContact CD1-CB 3.84Å; I210-L288 HydrophobicContact CD1-CD1 4.26Å; I210-L288 HydrophobicContact CG1-CB 4.1Å; I210-L288 HydrophobicContact CG1-CD1 4.38Å; I210-A289 VanDerWaalsContact CG2-CA 3.41Å; I210-A289 HydrophobicContact CG2-CB 3.58Å
211	C	98.6	Very high	98.7	Very high	76 Å²	76	31.1 Å²	31.1	51%	0.514	20%	0.195	S	C	.	.	H	α-helix	trans	-60.2	-44.4	176	-70	0	0	0	0	111.9	A207 A208 M214 L215	A207-C211 WeakPolarHBondContact O-CB 3.4Å; A207-C211 PolarHBondContact O-N 3.04Å; A207-C211 PolarHBondContact O-SG 3.46Å; A208-C211 PolarHBondContact O-N 3.39Å; C211-M214 PolarHBondContact O-N 3.38Å; C211-L215 PolarHBondContact O-N 2.94Å
212	N	98.3	Very high	98.7	Very high	71 Å²	71	29.2 Å²	29.2	38%	0.38	18%	0.181	S	C	.	.	H	α-helix	trans	-58.7	-49	175.7	175.3	83.8	0	0	0	111.8	A208 K209 I210 M214 L215 L216	A208-N212 WeakPolarHBondContact O-CB 3.47Å; A208-N212 PolarHBondContact O-N 3.47Å; K209-N212 PolarHBondContact O-N 3.16Å; I210-N212 PolarHBondContact O-N 3.38Å; N212-M214 VanDerWaalsContact C-N 3.34Å; N212-M214 PolarHBondContact O-N 3.09Å; N212-L215 PolarHBondContact O-N 2.66Å; N212-L216 WeakPolarHBondContact O-CB 3.46Å; N212-L216 PolarHBondContact O-N 2.97Å
213	N	98.1	Very high	98.7	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-30.9	-177.2	-83	21.5	0	0	0	112.7	K209 I210 L216 A217 D285	K209-N213 VanDerWaalsContact CE-CG 3.46Å; K209-N213 WeakPolarHBondContact CE-ND2 3.44Å; K209-N213 WeakPolarHBondContact CE-OD1 3.48Å; K209-N213 PolarHBondContact O-N 3.38Å; I210-N213 PolarHBondContact O-N 3.02Å; N213-L216 PolarHBondContact O-N 2.99Å; N213-A217 WeakPolarHBondContact O-CB 3.26Å; N213-A217 PolarHBondContact O-N 2.91Å; N213-D285 HydrophobicContact CB-CB 4.28Å; N213-D285 PolarHBondContact ND2-OD2 2.72Å
214	M	98.8	Very high	98.7	Very high	39 Å²	39	28.2 Å²	28.2	19%	0.192	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-48.2	170.1	-175.2	179.7	66.6	0	0	111.6	I210 C211 N212 L216 A217 I218 L286 A289 I300	I210-M214 WeakPolarHBondContact O-CB 3.43Å; I210-M214 PolarHBondContact O-N 3.13Å; C211-M214 PolarHBondContact O-N 3.38Å; N212-M214 VanDerWaalsContact C-N 3.34Å; N212-M214 PolarHBondContact O-N 3.09Å; M214-L216 VanDerWaalsContact C-N 3.34Å; M214-L216 PolarHBondContact O-N 3.25Å; M214-A217 PolarHBondContact O-N 3.18Å; M214-I218 HydrophobicContact CG-CD1 4.12Å; M214-I218 WeakPolarHBondContact O-CG1 3.43Å; M214-I218 PolarHBondContact O-N 2.74Å; M214-I218 VanDerWaalsContact O-N 3.08Å; M214-L286 HydrophobicContact CB-CD2 4.26Å; M214-L286 HydrophobicContact CG-CD2 4.27Å; M214-A289 HydrophobicContact CB-CB 4.16Å; M214-A289 HydrophobicContact CG-CB 4.35Å; M214-A289 HydrophobicContact SD-CB 4.09Å; M214-I300 HydrophobicContact CE-CG2 4.18Å; M214-I300 HydrophobicContact SD-CB 4.24Å; M214-I300 HydrophobicContact SD-CD1 4.04Å; M214-I300 HydrophobicContact SD-CG2 4.06Å
215	L	98.8	Very high	98.7	Very high	107 Å²	107	30.7 Å²	30.7	56%	0.56	18%	0.184	S	C	*	.	H	α-helix	trans	-63.7	-39.7	177.1	178.7	60.2	0	0	0	112	C211 N212 I218 S219	C211-L215 PolarHBondContact O-N 2.94Å; N212-L215 PolarHBondContact O-N 2.66Å; L215-I218 PolarHBondContact O-N 3.09Å; L215-S219 WeakPolarHBondContact O-CB 3.27Å; L215-S219 PolarHBondContact O-N 2.88Å; L215-S219 PolarHBondContact O-OG 2.93Å
216	L	98.4	Very high	98.7	Very high	31 Å²	31	33.8 Å²	33.8	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-46.9	174.8	173.6	61	0	0	0	111.4	N212 N213 M214 S219 M220 W252 M282 F323	N212-L216 WeakPolarHBondContact O-CB 3.46Å; N212-L216 PolarHBondContact O-N 2.97Å; N213-L216 PolarHBondContact O-N 2.99Å; M214-L216 VanDerWaalsContact C-N 3.34Å; M214-L216 PolarHBondContact O-N 3.25Å; L216-S219 PolarHBondContact O-N 3.41Å; L216-M220 VanDerWaalsContact O-CB 3.27Å; L216-M220 WeakPolarHBondContact O-CB 3.41Å; L216-M220 PolarHBondContact O-N 3.47Å; L216-W252 HydrophobicContact CD1-CE3 3.56Å; L216-W252 HydrophobicContact CD1-CZ3 3.77Å; L216-M282 HydrophobicContact CD2-CE 3.89Å; L216-M282 HydrophobicContact CG-CE 4.06Å; L216-F323 HydrophobicContact CD1-CE2 4.07Å; L216-F323 HydrophobicContact CD1-CZ 4.05Å; L216-F323 HydrophobicContact CD2-CE2 4.11Å; L216-F323 HydrophobicContact CD2-CZ 3.94Å; L216-F323 HydrophobicContact CG-CE2 3.86Å; L216-F323 HydrophobicContact CG-CZ 4.07Å
217	A	98.8	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-48.2	178.6	0	0	0	0	0	111.9	N213 M214 S219 M220 I221 M282 L286 A306 Y310	N213-A217 WeakPolarHBondContact O-CB 3.26Å; N213-A217 PolarHBondContact O-N 2.91Å; M214-A217 PolarHBondContact O-N 3.18Å; A217-S219 VanDerWaalsContact C-N 3.3Å; A217-S219 PolarHBondContact O-N 3.27Å; A217-M220 PolarHBondContact O-N 3.12Å; A217-I221 VanDerWaalsContact O-CG1 3.3Å; A217-I221 WeakPolarHBondContact O-CG1 3.49Å; A217-I221 PolarHBondContact O-N 3Å; A217-M282 HydrophobicContact CB-CE 4.33Å; A217-M282 HydrophobicContact CB-SD 3.83Å; A217-L286 HydrophobicContact CB-CD1 3.69Å; A217-L286 HydrophobicContact CB-CD2 3.72Å; A217-L286 HydrophobicContact CB-CG 4.16Å; A217-A306 HydrophobicContact CB-CB 4.16Å; A217-Y310 HydrophobicContact CB-CD2 4.33Å; A217-Y310 HydrophobicContact CB-CE2 3.9Å
218	I	98.9	Very high	98.7	Very high	44 Å²	44	33 Å²	33	23%	0.226	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-47.5	176.8	-66	163.4	0	0	0	110	M214 L215 I221 G222 L302 A306	M214-I218 HydrophobicContact CG-CD1 4.12Å; M214-I218 WeakPolarHBondContact O-CG1 3.43Å; M214-I218 PolarHBondContact O-N 2.74Å; M214-I218 VanDerWaalsContact O-N 3.08Å; L215-I218 PolarHBondContact O-N 3.09Å; I218-I221 PolarHBondContact O-N 2.62Å; I218-G222 PolarHBondContact O-N 3.11Å; I218-L302 HydrophobicContact CD1-CB 3.99Å; I218-L302 HydrophobicContact CG1-CB 4.08Å; I218-L302 HydrophobicContact CG2-CB 4.14Å; I218-L302 HydrophobicContact CG2-CD1 4.15Å; I218-A306 HydrophobicContact CG1-CB 4.19Å
219	S	98.8	Very high	98.7	Very high	33 Å²	33	36.3 Å²	36.3	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-70.7	-34.9	-177.4	-53.7	0	0	0	0	112.7	L215 L216 A217 T223	L215-S219 WeakPolarHBondContact O-CB 3.27Å; L215-S219 PolarHBondContact O-N 2.88Å; L215-S219 PolarHBondContact O-OG 2.93Å; L216-S219 PolarHBondContact O-N 3.41Å; A217-S219 VanDerWaalsContact C-N 3.3Å; A217-S219 PolarHBondContact O-N 3.27Å; S219-T223 VanDerWaalsContact O-CB 3.31Å; S219-T223 WeakPolarHBondContact O-CB 3.44Å; S219-T223 PolarHBondContact O-N 3.38Å; S219-T223 PolarHBondContact O-OG1 3.07Å
220	M	98.9	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-45.1	175.3	-179	57.5	73.2	0	0	111.4	L216 A217 T223 A224 S253 Y257 P259 F323 V326	L216-M220 VanDerWaalsContact O-CB 3.27Å; L216-M220 WeakPolarHBondContact O-CB 3.41Å; L216-M220 PolarHBondContact O-N 3.47Å; A217-M220 PolarHBondContact O-N 3.12Å; M220-T223 PolarHBondContact O-N 3.19Å; M220-A224 WeakPolarHBondContact O-CB 3.4Å; M220-A224 PolarHBondContact O-N 3.33Å; M220-S253 PolarHBondContact N-OG 3.14Å; M220-Y257 HydrophobicContact CE-CD1 3.95Å; M220-P259 HydrophobicContact SD-CB 3.81Å; M220-P259 HydrophobicContact SD-CG 3.96Å; M220-F323 HydrophobicContact CB-CD2 4.23Å; M220-F323 HydrophobicContact CB-CE2 3.77Å; M220-F323 HydrophobicContact CE-CD2 4.49Å; M220-F323 HydrophobicContact CE-CE1 4.47Å; M220-F323 HydrophobicContact CE-CE2 3.6Å; M220-F323 HydrophobicContact CE-CZ 3.59Å; M220-F323 HydrophobicContact CG-CD2 3.87Å; M220-F323 HydrophobicContact CG-CE2 3.65Å; M220-F323 HydrophobicContact SD-CE2 4.46Å; M220-V326 HydrophobicContact CG-CG1 3.99Å
221	I	98.9	Very high	98.6	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-48.8	174.3	-66.5	166.8	0	0	0	109.9	A217 I218 T223 A224 E225 A306 I309 Y310 V326	A217-I221 VanDerWaalsContact O-CG1 3.3Å; A217-I221 WeakPolarHBondContact O-CG1 3.49Å; A217-I221 PolarHBondContact O-N 3Å; I218-I221 PolarHBondContact O-N 2.62Å; I221-T223 VanDerWaalsContact C-N 3.29Å; I221-T223 PolarHBondContact O-N 2.91Å; I221-A224 WeakPolarHBondContact O-CB 3.28Å; I221-A224 PolarHBondContact O-N 2.93Å; I221-A224 VanDerWaalsContact O-N 3.07Å; I221-E225 HydrophobicContact CG2-CG 4.3Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.12Å; I221-E225 WeakPolarHBondContact O-CG 3.38Å; I221-E225 PolarHBondContact O-N 3.14Å; I221-A306 HydrophobicContact CD1-CB 3.57Å; I221-I309 HydrophobicContact CD1-CB 4.2Å; I221-I309 HydrophobicContact CD1-CD1 3.99Å; I221-I309 HydrophobicContact CD1-CG2 4.15Å; I221-I309 HydrophobicContact CG2-CD1 4.08Å; I221-Y310 HydrophobicContact CD1-CD2 4.15Å; I221-Y310 HydrophobicContact CD1-CE2 3.79Å; I221-Y310 HydrophobicContact CG1-CE2 4.04Å; I221-V326 HydrophobicContact CG1-CG1 4.27Å; I221-V326 HydrophobicContact CG1-CG2 4Å
222	G	98.9	Very high	98.5	Very high	26 Å²	26	42.8 Å²	42.8	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-37.8	177.4	0	0	0	0	0	113.1	I218 T226	I218-G222 PolarHBondContact O-N 3.11Å; G222-T226 VanDerWaalsContact O-CB 3.25Å; G222-T226 WeakPolarHBondContact O-CB 3.36Å; G222-T226 PolarHBondContact O-N 3.19Å; G222-T226 PolarHBondContact O-OG1 2.78Å
223	T	98.9	Very high	98.5	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-47.4	173	-59.9	0	0	0	0	110.6	S219 M220 I221 T226 M227 C251 P259	S219-T223 VanDerWaalsContact O-CB 3.31Å; S219-T223 WeakPolarHBondContact O-CB 3.44Å; S219-T223 PolarHBondContact O-N 3.38Å; S219-T223 PolarHBondContact O-OG1 3.07Å; M220-T223 PolarHBondContact O-N 3.19Å; I221-T223 VanDerWaalsContact C-N 3.29Å; I221-T223 PolarHBondContact O-N 2.91Å; T223-T226 PolarHBondContact O-N 2.79Å; T223-M227 HydrophobicContact CG2-CG 4.19Å; T223-M227 VanDerWaalsContact O-CB 3.31Å; T223-M227 WeakPolarHBondContact O-CB 3.41Å; T223-M227 WeakPolarHBondContact O-CG 3.39Å; T223-M227 PolarHBondContact O-N 3.02Å; T223-C251 PolarHBondContact OG1-SG 3.32Å; T223-P259 HydrophobicContact CG2-CG 3.95Å
224	A	98.9	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-45	179.2	0	0	0	0	0	112.3	M220 I221 N228 P259 V326 F327 L330	M220-A224 WeakPolarHBondContact O-CB 3.4Å; M220-A224 PolarHBondContact O-N 3.33Å; I221-A224 WeakPolarHBondContact O-CB 3.28Å; I221-A224 PolarHBondContact O-N 2.93Å; I221-A224 VanDerWaalsContact O-N 3.07Å; A224-N228 WeakPolarHBondContact O-CB 3.32Å; A224-N228 PolarHBondContact O-N 2.67Å; A224-P259 HydrophobicContact CB-CG 4.3Å; A224-V326 HydrophobicContact CB-CG1 3.93Å; A224-F327 HydrophobicContact CB-CB 3.79Å; A224-F327 HydrophobicContact CB-CD2 4.37Å; A224-L330 HydrophobicContact CB-CD1 3.94Å
225	E	98.8	Very high	98.4	Very high	97 Å²	97	50.2 Å²	50.2	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-49	175.2	-72.8	178.4	-174.3	0	0	111.6	I221 M227 N228 L229 L330	I221-E225 HydrophobicContact CG2-CG 4.3Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.12Å; I221-E225 WeakPolarHBondContact O-CG 3.38Å; I221-E225 PolarHBondContact O-N 3.14Å; E225-M227 PolarHBondContact O-N 3.11Å; E225-N228 PolarHBondContact O-N 2.94Å; E225-L229 WeakPolarHBondContact O-CB 3.06Å; E225-L229 PolarHBondContact O-N 3.38Å; E225-L330 HydrophobicContact CG-CD1 3.7Å
226	T	98.7	Very high	98.4	Very high	64 Å²	64	49.3 Å²	49.3	39%	0.393	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-45.9	179.9	-60.4	0	0	0	0	111.3	G222 T223 G230 L244	G222-T226 VanDerWaalsContact O-CB 3.25Å; G222-T226 WeakPolarHBondContact O-CB 3.36Å; G222-T226 PolarHBondContact O-N 3.19Å; G222-T226 PolarHBondContact O-OG1 2.78Å; T223-T226 PolarHBondContact O-N 2.79Å; T226-G230 PolarHBondContact O-N 2.79Å; T226-L244 HydrophobicContact CG2-CD1 4.06Å; T226-L244 HydrophobicContact CG2-CD2 4.01Å
227	M	98.8	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-45.7	177.9	-69.2	-67.9	-69.7	0	0	111.4	T223 E225 G230 I231 P237 L240 A241 L244 V260 V263 F327	T223-M227 HydrophobicContact CG2-CG 4.19Å; T223-M227 VanDerWaalsContact O-CB 3.31Å; T223-M227 WeakPolarHBondContact O-CB 3.41Å; T223-M227 WeakPolarHBondContact O-CG 3.39Å; T223-M227 PolarHBondContact O-N 3.02Å; E225-M227 PolarHBondContact O-N 3.11Å; M227-G230 PolarHBondContact O-N 2.77Å; M227-I231 WeakPolarHBondContact O-CB 3.2Å; M227-I231 WeakPolarHBondContact O-CD1 3.47Å; M227-I231 WeakPolarHBondContact O-CG1 3.38Å; M227-I231 PolarHBondContact O-N 2.95Å; M227-P237 HydrophobicContact CE-CB 3.92Å; M227-P237 WeakPolarHBondContact CE-O 3.38Å; M227-L240 HydrophobicContact SD-CB 4.34Å; M227-L240 HydrophobicContact SD-CD2 3.91Å; M227-L240 HydrophobicContact SD-CG 3.88Å; M227-A241 HydrophobicContact CE-CB 4.11Å; M227-A241 HydrophobicContact SD-CB 4.41Å; M227-L244 HydrophobicContact CG-CD1 4.48Å; M227-L244 HydrophobicContact SD-CD1 3.82Å; M227-V260 HydrophobicContact CB-CG2 3.63Å; M227-V260 HydrophobicContact CE-CB 4.07Å; M227-V260 HydrophobicContact CE-CG2 3.54Å; M227-V260 HydrophobicContact CG-CG2 3.91Å; M227-V263 HydrophobicContact CE-CG2 4.16Å; M227-F327 HydrophobicContact CB-CE2 4.4Å
228	N	98.5	Very high	98.4	Very high	26 Å²	26	55.6 Å²	55.6	14%	0.139	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-47.7	178.6	-173.1	37.9	0	0	0	111.6	A224 E225 G230 I231 R232 F327 L330 R331	A224-N228 WeakPolarHBondContact O-CB 3.32Å; A224-N228 PolarHBondContact O-N 2.67Å; E225-N228 PolarHBondContact O-N 2.94Å; N228-G230 PolarHBondContact O-N 3.37Å; N228-I231 PolarHBondContact O-N 3.36Å; N228-R232 WeakPolarHBondContact O-CG 3.45Å; N228-R232 PolarHBondContact O-N 2.85Å; N228-F327 HydrophobicContact CB-CD2 4.31Å; N228-F327 HydrophobicContact CB-CE2 3.96Å; N228-L330 PolarHBondContact ND2-O 3.15Å; N228-R331 VanDerWaalsContact OD1-CG 3.29Å; N228-R331 WeakPolarHBondContact OD1-CG 3.47Å
229	L	98.4	Very high	98.4	Very high	106 Å²	106	57.6 Å²	57.6	56%	0.555	31%	0.314	S	S	*	.	H	α-helix	trans	-59.1	-48.7	176.3	175.9	60.1	0	0	0	111.3	E225 I231 R232 L233	E225-L229 WeakPolarHBondContact O-CB 3.06Å; E225-L229 PolarHBondContact O-N 3.38Å; L229-I231 VanDerWaalsContact C-N 3.34Å; L229-I231 PolarHBondContact O-N 3.49Å; L229-R232 PolarHBondContact O-N 3.44Å; L229-R232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD1-CD1 4.01Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 WeakPolarHBondContact O-CG 3.34Å; L229-L233 PolarHBondContact O-N 2.92Å
230	G	98.4	Very high	98.4	Very high	6 Å²	6	56.8 Å²	56.8	6%	0.062	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-40.4	179.8	0	0	0	0	0	113.4	T226 M227 N228 L233 G234 L235	T226-G230 PolarHBondContact O-N 2.79Å; M227-G230 PolarHBondContact O-N 2.77Å; N228-G230 PolarHBondContact O-N 3.37Å; G230-L233 CarbonylContact O-C 3.56Å; G230-L233 PolarHBondContact O-N 3.42Å; G230-G234 PolarHBondContact O-N 2.94Å; G230-L235 VanDerWaalsContact O-CB 3.32Å; G230-L235 WeakPolarHBondContact O-CB 3.47Å; G230-L235 PolarHBondContact O-N 3.49Å
231	I	97.9	Very high	98.4	Very high	51 Å²	51	56.9 Å²	56.9	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-44.3	174	-67.8	161.9	0	0	0	110.6	M227 N228 L229 L233 G234 P237 V260 F327	M227-I231 WeakPolarHBondContact O-CB 3.2Å; M227-I231 WeakPolarHBondContact O-CD1 3.47Å; M227-I231 WeakPolarHBondContact O-CG1 3.38Å; M227-I231 PolarHBondContact O-N 2.95Å; N228-I231 PolarHBondContact O-N 3.36Å; L229-I231 VanDerWaalsContact C-N 3.34Å; L229-I231 PolarHBondContact O-N 3.49Å; I231-L233 PolarHBondContact O-N 2.89Å; I231-G234 WeakPolarHBondContact O-CA 3.39Å; I231-G234 PolarHBondContact O-N 2.92Å; I231-P237 HydrophobicContact CD1-CB 4.03Å; I231-P237 HydrophobicContact CG1-CB 4.06Å; I231-V260 HydrophobicContact CD1-CG1 4.22Å; I231-F327 HydrophobicContact CD1-CE2 4.1Å; I231-F327 HydrophobicContact CD1-CZ 3.85Å
232	R	96.1	Very high	98.4	Very high	173 Å²	173	63.3 Å²	63.3	65%	0.653	34%	0.335	S	S	*	.	H	α-helix	trans	-66.9	-25.4	177.5	-67.8	-175.3	74.1	81.3	2.4	113.2	N228 L229 G234 E333	N228-R232 WeakPolarHBondContact O-CG 3.45Å; N228-R232 PolarHBondContact O-N 2.85Å; L229-R232 PolarHBondContact O-N 3.44Å; L229-R232 VanDerWaalsContact O-N 3.16Å; R232-G234 PolarHBondContact O-N 3.38Å; R232-E333 IonicContact NH1-OE1 2.73Å; R232-E333 PolarHBondContact NH1-OE1 3.48Å
233	L	97.4	Very high	98.4	Very high	131 Å²	131	65.7 Å²	65.7	69%	0.686	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	1.5	170.5	-67.9	171.5	0	0	0	113.3	L229 G230 I231	L229-L233 HydrophobicContact CD1-CD1 4.01Å; L229-L233 HydrophobicContact CD1-CG 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 WeakPolarHBondContact O-CG 3.34Å; L229-L233 PolarHBondContact O-N 2.92Å; G230-L233 CarbonylContact O-C 3.56Å; G230-L233 PolarHBondContact O-N 3.42Å; I231-L233 PolarHBondContact O-N 2.89Å
234	G	97.3	Very high	98.3	Very high	68 Å²	68	66.6 Å²	66.6	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	12.6	174.2	0	0	0	0	0	115.2	G230 I231 R232	G230-G234 PolarHBondContact O-N 2.94Å; I231-G234 WeakPolarHBondContact O-CA 3.39Å; I231-G234 PolarHBondContact O-N 2.92Å; R232-G234 PolarHBondContact O-N 3.38Å
235	L	98.3	Very high	98.3	Very high	75 Å²	75	68.5 Å²	68.5	39%	0.393	36%	0.356	S	S	.	.			trans	-79.6	140.4	176	-60.6	176.6	0	0	0	111.6	G230 L240	G230-L235 VanDerWaalsContact O-CB 3.32Å; G230-L235 WeakPolarHBondContact O-CB 3.47Å; G230-L235 PolarHBondContact O-N 3.49Å; L235-L240 HydrophobicContact CD1-CD1 4.06Å; L235-L240 HydrophobicContact CD1-CD2 4.3Å
236	D	98.6	Very high	98.3	Very high	87 Å²	87	70.7 Å²	70.7	47%	0.465	37%	0.368	S	S	.	.			trans	-62.4	124.4	163.7	169.1	15.1	0	0	0	109.3	K238 L239 L240	D236-K238 PolarHBondContact O-N 2.83Å; D236-K238 PolarHBondContact OD1-N 2.73Å; D236-L239 HydrophobicContact CB-CB 4.07Å; D236-L239 WeakPolarHBondContact O-CB 3.44Å; D236-L239 PolarHBondContact O-N 2.8Å; D236-L239 VanDerWaalsContact O-N 3.14Å; D236-L240 PolarHBondContact O-N 3.34Å
237	P	98.4	Very high	98.3	Very high	35 Å²	35	70.4 Å²	70.4	23%	0.227	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-33.3	179.6	23.1	-34.8	0	0	0	113.4	M227 I231 L240 A241 V260 V263	M227-P237 HydrophobicContact CE-CB 3.92Å; M227-P237 WeakPolarHBondContact CE-O 3.38Å; I231-P237 HydrophobicContact CD1-CB 4.03Å; I231-P237 HydrophobicContact CG1-CB 4.06Å; P237-L240 PolarHBondContact O-N 3.44Å; P237-A241 WeakPolarHBondContact O-CB 3.37Å; P237-A241 PolarHBondContact O-N 3.08Å; P237-V260 HydrophobicContact CB-CG1 4.04Å; P237-V263 HydrophobicContact CB-CG2 3.86Å
238	K	98.7	Very high	98.3	Very high	128 Å²	128	76.8 Å²	76.8	56%	0.557	41%	0.413	S	S	*	.	H	α-helix	trans	-67.4	-41.5	177.5	-72.5	-176.2	175.3	-176.8	0	111.6	D236 K242 G262 V263	D236-K238 PolarHBondContact O-N 2.83Å; D236-K238 PolarHBondContact OD1-N 2.73Å; K238-K242 WeakPolarHBondContact O-CB 3.22Å; K238-K242 PolarHBondContact O-N 3.48Å; K238-G262 WeakPolarHBondContact CE-O 3.37Å; K238-V263 HydrophobicContact CG-CG2 4.5Å
239	L	98.7	Very high	98.2	Very high	86 Å²	86	77.7 Å²	77.7	45%	0.45	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-47.2	174.7	176.9	62	0	0	0	111.2	D236 K242 I243	D236-L239 HydrophobicContact CB-CB 4.07Å; D236-L239 WeakPolarHBondContact O-CB 3.44Å; D236-L239 PolarHBondContact O-N 2.8Å; D236-L239 VanDerWaalsContact O-N 3.14Å; L239-K242 WeakPolarHBondContact O-CB 3.39Å; L239-K242 PolarHBondContact O-N 2.93Å; L239-I243 HydrophobicContact CD1-CD1 4.23Å; L239-I243 HydrophobicContact CG-CD1 4.14Å; L239-I243 WeakPolarHBondContact O-CG1 3.31Å; L239-I243 PolarHBondContact O-N 3.4Å
240	L	98.8	Very high	98.2	Very high	16 Å²	16	80.1 Å²	80.1	8%	0.084	43%	0.43	C	S	.	.	H	α-helix	trans	-62.6	-46	179.5	179.9	57.1	0	0	0	111.9	M227 L235 D236 P237 K242 I243 L244	M227-L240 HydrophobicContact SD-CB 4.34Å; M227-L240 HydrophobicContact SD-CD2 3.91Å; M227-L240 HydrophobicContact SD-CG 3.88Å; L235-L240 HydrophobicContact CD1-CD1 4.06Å; L235-L240 HydrophobicContact CD1-CD2 4.3Å; D236-L240 PolarHBondContact O-N 3.34Å; P237-L240 PolarHBondContact O-N 3.44Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 3.47Å; L240-I243 PolarHBondContact O-N 2.94Å; L240-I243 VanDerWaalsContact O-N 3.13Å; L240-L244 HydrophobicContact CD1-CD1 4.47Å; L240-L244 HydrophobicContact CD1-CG 4.23Å; L240-L244 HydrophobicContact CG-CD1 4.25Å; L240-L244 HydrophobicContact CG-CG 4.45Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.01Å
241	A	98.8	Very high	98.2	Very high	3 Å²	3	81.3 Å²	81.3	3%	0.025	44%	0.438	C	S	.	.	H	α-helix	trans	-57.8	-42.6	175.7	0	0	0	0	0	111.7	M227 P237 I243 L244 N245 V263	M227-A241 HydrophobicContact CE-CB 4.11Å; M227-A241 HydrophobicContact SD-CB 4.41Å; P237-A241 WeakPolarHBondContact O-CB 3.37Å; P237-A241 PolarHBondContact O-N 3.08Å; A241-I243 PolarHBondContact O-N 3.31Å; A241-L244 PolarHBondContact O-N 3.37Å; A241-N245 VanDerWaalsContact O-CB 3.26Å; A241-N245 WeakPolarHBondContact O-CB 3.47Å; A241-N245 PolarHBondContact O-N 3.3Å; A241-N245 PolarHBondContact O-ND2 2.96Å; A241-N245 VanDerWaalsContact O-ND2 3.16Å; A241-V263 HydrophobicContact CB-CG1 3.52Å
242	K	98.6	Very high	98.1	Very high	143 Å²	143	84.5 Å²	84.5	62%	0.622	45%	0.446	S	S	*	.	H	α-helix	trans	-58.3	-46.8	174.7	-178.9	-179.4	178	-179.2	0	111.7	K238 L239 L240 N245 M246	K238-K242 WeakPolarHBondContact O-CB 3.22Å; K238-K242 PolarHBondContact O-N 3.48Å; L239-K242 WeakPolarHBondContact O-CB 3.39Å; L239-K242 PolarHBondContact O-N 2.93Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 3.47Å; K242-N245 PolarHBondContact O-N 3.09Å; K242-M246 WeakPolarHBondContact O-CG 3.21Å; K242-M246 PolarHBondContact O-N 3.02Å
243	I	98.7	Very high	98.2	Very high	76 Å²	76	76.3 Å²	76.3	39%	0.39	42%	0.416	S	S	.	.	H	α-helix	trans	-61.4	-48.9	178.7	-68.6	167.6	0	0	0	110.7	L239 L240 A241 N245 M246 S247	L239-I243 HydrophobicContact CD1-CD1 4.23Å; L239-I243 HydrophobicContact CG-CD1 4.14Å; L239-I243 WeakPolarHBondContact O-CG1 3.31Å; L239-I243 PolarHBondContact O-N 3.4Å; L240-I243 PolarHBondContact O-N 2.94Å; L240-I243 VanDerWaalsContact O-N 3.13Å; A241-I243 PolarHBondContact O-N 3.31Å; I243-N245 VanDerWaalsContact C-N 3.3Å; I243-N245 PolarHBondContact O-N 3.48Å; I243-M246 WeakPolarHBondContact O-CG 3.27Å; I243-M246 PolarHBondContact O-N 3.26Å; I243-S247 VanDerWaalsContact O-CB 3.24Å; I243-S247 WeakPolarHBondContact O-CB 3.36Å; I243-S247 PolarHBondContact O-N 3.36Å; I243-S247 PolarHBondContact O-OG 2.92Å
244	L	98.6	Very high	98.2	Very high	28 Å²	28	70.1 Å²	70.1	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-56.9	-46	178.1	-67.8	175.3	0	0	0	111.2	T226 M227 L240 A241 M246 S247 R250	T226-L244 HydrophobicContact CG2-CD1 4.06Å; T226-L244 HydrophobicContact CG2-CD2 4.01Å; M227-L244 HydrophobicContact CG-CD1 4.48Å; M227-L244 HydrophobicContact SD-CD1 3.82Å; L240-L244 HydrophobicContact CD1-CD1 4.47Å; L240-L244 HydrophobicContact CD1-CG 4.23Å; L240-L244 HydrophobicContact CG-CD1 4.25Å; L240-L244 HydrophobicContact CG-CG 4.45Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.01Å; A241-L244 PolarHBondContact O-N 3.37Å; L244-M246 PolarHBondContact O-N 3.13Å; L244-S247 PolarHBondContact O-N 3.06Å; L244-S247 VanDerWaalsContact O-N 3.08Å; L244-R250 WeakPolarHBondContact O-CB 3.35Å; L244-R250 PolarHBondContact O-N 3.32Å
245	N	98.6	Very high	98.2	Very high	39 Å²	39	69.6 Å²	69.6	21%	0.209	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.2	-175.1	-64.4	-18.8	0	0	0	114.5	A241 K242 I243 R250 S254 D255	A241-N245 VanDerWaalsContact O-CB 3.26Å; A241-N245 WeakPolarHBondContact O-CB 3.47Å; A241-N245 PolarHBondContact O-N 3.3Å; A241-N245 PolarHBondContact O-ND2 2.96Å; A241-N245 VanDerWaalsContact O-ND2 3.16Å; K242-N245 PolarHBondContact O-N 3.09Å; I243-N245 VanDerWaalsContact C-N 3.3Å; I243-N245 PolarHBondContact O-N 3.48Å; N245-R250 WeakPolarHBondContact O-CD 3.44Å; N245-S254 PolarHBondContact ND2-O 3.14Å; N245-S254 VanDerWaalsContact OD1-C 3.25Å; N245-S254 VanDerWaalsContact OD1-CB 3.27Å; N245-S254 WeakPolarHBondContact OD1-CB 3.43Å; N245-S254 PolarHBondContact OD1-O 3.3Å; N245-S254 PolarHBondContact OD1-OG 2.55Å; N245-D255 HydrophobicContact CB-CB 4.16Å; N245-D255 WeakPolarHBondContact ND2-CA 3.47Å; N245-D255 WeakPolarHBondContact OD1-CB 3.4Å; N245-D255 PolarHBondContact OD1-N 3.13Å
246	M	97.8	Very high	97.9	Very high	143 Å²	143	69.2 Å²	69.2	70%	0.704	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	7.9	169.2	67.3	-177	-78.1	0	0	113.1	K242 I243 L244	K242-M246 WeakPolarHBondContact O-CG 3.21Å; K242-M246 PolarHBondContact O-N 3.02Å; I243-M246 WeakPolarHBondContact O-CG 3.27Å; I243-M246 PolarHBondContact O-N 3.26Å; L244-M246 PolarHBondContact O-N 3.13Å
247	S	98.4	Very high	97.8	Very high	58 Å²	58	66.8 Å²	66.8	41%	0.406	35%	0.35	S	S	.	.	S	Bend	trans	-122.1	-176.9	-175.4	-57.3	0	0	0	0	111.4	I243 L244 G249 R250	I243-S247 VanDerWaalsContact O-CB 3.24Å; I243-S247 WeakPolarHBondContact O-CB 3.36Å; I243-S247 PolarHBondContact O-N 3.36Å; I243-S247 PolarHBondContact O-OG 2.92Å; L244-S247 PolarHBondContact O-N 3.06Å; L244-S247 VanDerWaalsContact O-N 3.08Å; S247-G249 PolarHBondContact O-N 2.98Å; S247-R250 WeakPolarHBondContact O-CB 3.35Å; S247-R250 PolarHBondContact O-N 3.24Å
248	S	98.5	Very high	97.8	Very high	134 Å²	134	65.1 Å²	65.1	94%	0.937	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.6	-179.8	52.2	0	0	0	0	114.6	R250	S248-R250 VanDerWaalsContact C-N 3.27Å; S248-R250 PolarHBondContact O-N 3.45Å
249	G	98.1	Very high	97.8	Very high	45 Å²	45	59 Å²	59	46%	0.464	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.9	176.6	0	0	0	0	0	114.8	S247 C251	S247-G249 PolarHBondContact O-N 2.98Å; G249-C251 PolarHBondContact O-N 3.48Å
250	R	98.6	Very high	97.8	Very high	157 Å²	157	55.2 Å²	55.2	59%	0.592	29%	0.293	S	S	*	.			trans	-59.4	129.9	-178.4	-179.2	176.9	67.1	176.7	1.8	111.3	L244 N245 S247 S248 D255	L244-R250 WeakPolarHBondContact O-CB 3.35Å; L244-R250 PolarHBondContact O-N 3.32Å; N245-R250 WeakPolarHBondContact O-CD 3.44Å; S247-R250 WeakPolarHBondContact O-CB 3.35Å; S247-R250 PolarHBondContact O-N 3.24Å; S248-R250 VanDerWaalsContact C-N 3.27Å; S248-R250 PolarHBondContact O-N 3.45Å; R250-D255 WeakPolarHBondContact CD-OD2 3.47Å; R250-D255 HydrophobicContact CG-CB 4.31Å
251	C	98.1	Very high	97.8	Very high	32 Å²	32	57.7 Å²	57.7	22%	0.216	31%	0.309	C	S	.	.			trans	-145.1	169	168.1	64.7	0	0	0	0	110.3	T223 G249 S253 S254 D255	T223-C251 PolarHBondContact OG1-SG 3.32Å; G249-C251 PolarHBondContact O-N 3.48Å; C251-S253 PolarHBondContact O-N 2.9Å; C251-S254 PolarHBondContact N-OG 2.81Å; C251-S254 PolarHBondContact O-N 2.96Å; C251-S254 PolarHBondContact O-OG 2.85Å; C251-D255 PolarHBondContact O-N 2.88Å; C251-D255 VanDerWaalsContact O-N 3.09Å
252	W	95.3	Very high	97.7	Very high	118 Å²	118	59.7 Å²	59.7	45%	0.447	33%	0.331	S	S	.	.	H	α-helix	trans	-54.2	-38.3	178.6	-179.6	87.6	0	0	0	112.6	L216 S254 D255 T256 Y257 F323	L216-W252 HydrophobicContact CD1-CE3 3.56Å; L216-W252 HydrophobicContact CD1-CZ3 3.77Å; W252-S254 PolarHBondContact O-N 3.24Å; W252-D255 WeakPolarHBondContact CA-OD1 3.44Å; W252-T256 HydrophobicContact CZ2-CG2 4.43Å; W252-T256 WeakPolarHBondContact O-CB 3.34Å; W252-T256 PolarHBondContact O-N 3.23Å; W252-Y257 HydrophobicContact CE3-CG 4.5Å; W252-Y257 AromaticContact CH2-CD1 3.74Å; W252-Y257 HydrophobicContact CH2-CD1 3.74Å; W252-Y257 AromaticContact CH2-CD2 3.39Å; W252-Y257 HydrophobicContact CH2-CD2 3.39Å; W252-Y257 HydrophobicContact CH2-CE1 4.27Å; W252-Y257 AromaticContact CH2-CE2 3.97Å; W252-Y257 HydrophobicContact CH2-CE2 3.97Å; W252-Y257 AromaticContact CH2-CG 3.21Å; W252-Y257 HydrophobicContact CH2-CG 3.21Å; W252-Y257 AromaticContact CZ2-CD2 3.78Å; W252-Y257 HydrophobicContact CZ2-CD2 3.78Å; W252-Y257 HydrophobicContact CZ2-CE2 4.46Å; W252-Y257 AromaticContact CZ2-CG 3.95Å; W252-Y257 HydrophobicContact CZ2-CG 3.95Å; W252-Y257 AromaticContact CZ3-CD1 3.83Å; W252-Y257 HydrophobicContact CZ3-CD1 3.83Å; W252-Y257 HydrophobicContact CZ3-CD2 4.19Å; W252-Y257 AromaticContact CZ3-CG 3.53Å; W252-Y257 HydrophobicContact CZ3-CG 3.53Å; W252-Y257 PolarHBondContact O-N 3.23Å; W252-Y257 VanDerWaalsContact O-N 3.12Å; W252-F323 HydrophobicContact CZ3-CZ 4.03Å
253	S	97.1	Very high	97.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-28.4	177	-56.9	0	0	0	0	113	M220 C251 Y257 N258	M220-S253 PolarHBondContact N-OG 3.14Å; C251-S253 PolarHBondContact O-N 2.9Å; S253-Y257 CarbonylContact O-C 3.59Å; S253-Y257 VanDerWaalsContact O-O 3.1Å; S253-N258 WeakPolarHBondContact O-CA 3.42Å; S253-N258 PolarHBondContact O-N 3.34Å
254	S	98.2	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-94.9	-34.4	-178	71.6	0	0	0	0	113.5	N245 C251 W252 N258	N245-S254 PolarHBondContact ND2-O 3.14Å; N245-S254 VanDerWaalsContact OD1-C 3.25Å; N245-S254 VanDerWaalsContact OD1-CB 3.27Å; N245-S254 WeakPolarHBondContact OD1-CB 3.43Å; N245-S254 PolarHBondContact OD1-O 3.3Å; N245-S254 PolarHBondContact OD1-OG 2.55Å; C251-S254 PolarHBondContact N-OG 2.81Å; C251-S254 PolarHBondContact O-N 2.96Å; C251-S254 PolarHBondContact O-OG 2.85Å; W252-S254 PolarHBondContact O-N 3.24Å; S254-N258 PolarHBondContact O-ND2 2.72Å
255	D	96.9	Very high	97.5	Very high	58 Å²	58	58.5 Å²	58.5	31%	0.31	33%	0.332	S	S	.	.	H	α-helix	trans	-102.4	-17.8	-172.2	75.3	2.8	0	0	0	115.4	N245 R250 C251 W252 M264	N245-D255 HydrophobicContact CB-CB 4.16Å; N245-D255 WeakPolarHBondContact ND2-CA 3.47Å; N245-D255 WeakPolarHBondContact OD1-CB 3.4Å; N245-D255 PolarHBondContact OD1-N 3.13Å; R250-D255 WeakPolarHBondContact CD-OD2 3.47Å; R250-D255 HydrophobicContact CG-CB 4.31Å; C251-D255 PolarHBondContact O-N 2.88Å; C251-D255 VanDerWaalsContact O-N 3.09Å; W252-D255 WeakPolarHBondContact CA-OD1 3.44Å; D255-M264 WeakPolarHBondContact O-CE 3.19Å
256	T	92.7	Very high	97.2	Very high	66 Å²	66	60.7 Å²	60.7	41%	0.405	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-22.5	-177.4	-52.6	0	0	0	0	112.4	W252 M264 V267	W252-T256 HydrophobicContact CZ2-CG2 4.43Å; W252-T256 WeakPolarHBondContact O-CB 3.34Å; W252-T256 PolarHBondContact O-N 3.23Å; T256-M264 VanDerWaalsContact O-SD 3.33Å; T256-V267 WeakPolarHBondContact O-CG1 3.42Å
257	Y	95.8	Very high	97	Very high	37 Å²	37	54.5 Å²	54.5	15%	0.145	33%	0.334	C	S	.	.	S	Bend	trans	-142.2	42.2	-172.6	-143.4	-105	0	0	0	113.7	M220 W252 S253 V267 P268 D322 F323	M220-Y257 HydrophobicContact CE-CD1 3.95Å; W252-Y257 HydrophobicContact CE3-CG 4.5Å; W252-Y257 AromaticContact CH2-CD1 3.74Å; W252-Y257 HydrophobicContact CH2-CD1 3.74Å; W252-Y257 AromaticContact CH2-CD2 3.39Å; W252-Y257 HydrophobicContact CH2-CD2 3.39Å; W252-Y257 HydrophobicContact CH2-CE1 4.27Å; W252-Y257 AromaticContact CH2-CE2 3.97Å; W252-Y257 HydrophobicContact CH2-CE2 3.97Å; W252-Y257 AromaticContact CH2-CG 3.21Å; W252-Y257 HydrophobicContact CH2-CG 3.21Å; W252-Y257 AromaticContact CZ2-CD2 3.78Å; W252-Y257 HydrophobicContact CZ2-CD2 3.78Å; W252-Y257 HydrophobicContact CZ2-CE2 4.46Å; W252-Y257 AromaticContact CZ2-CG 3.95Å; W252-Y257 HydrophobicContact CZ2-CG 3.95Å; W252-Y257 AromaticContact CZ3-CD1 3.83Å; W252-Y257 HydrophobicContact CZ3-CD1 3.83Å; W252-Y257 HydrophobicContact CZ3-CD2 4.19Å; W252-Y257 AromaticContact CZ3-CG 3.53Å; W252-Y257 HydrophobicContact CZ3-CG 3.53Å; W252-Y257 PolarHBondContact O-N 3.23Å; W252-Y257 VanDerWaalsContact O-N 3.12Å; S253-Y257 CarbonylContact O-C 3.59Å; S253-Y257 VanDerWaalsContact O-O 3.1Å; Y257-V267 HydrophobicContact CD2-CG1 4.07Å; Y257-P268 HydrophobicContact CE1-CG 3.86Å; Y257-P268 HydrophobicContact CE2-CG 4.18Å; Y257-P268 VanDerWaalsContact CZ-CG 3.44Å; Y257-P268 WeakPolarHBondContact OH-CD 3.39Å; Y257-P268 WeakPolarHBondContact OH-CG 3.47Å; Y257-D322 WeakPolarHBondContact CE1-OD1 3.39Å; Y257-D322 PolarHBondContact OH-OD2 3.07Å; Y257-F323 HydrophobicContact CD1-CE1 4Å; Y257-F323 HydrophobicContact CD1-CZ 4.19Å; Y257-F323 HydrophobicContact CE1-CD1 4.37Å; Y257-F323 AromaticContact CE1-CE1 3.58Å; Y257-F323 HydrophobicContact CE1-CE1 3.58Å; Y257-F323 HydrophobicContact CE1-CZ 4.23Å
258	N	98.5	Very high	96.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.318	C	S	.	.			trans	-55.9	127.9	-169.4	-161.1	-73.7	0	0	0	112.5	S253 S254 V260 V263 M264 S269	S253-N258 WeakPolarHBondContact O-CA 3.42Å; S253-N258 PolarHBondContact O-N 3.34Å; S254-N258 PolarHBondContact O-ND2 2.72Å; N258-V260 VanDerWaalsContact C-N 3.26Å; N258-V260 PolarHBondContact O-N 3.37Å; N258-V260 PolarHBondContact OD1-N 3.39Å; N258-V260 VanDerWaalsContact OD1-N 3.14Å; N258-V263 HydrophobicContact CB-CB 4.47Å; N258-V263 HydrophobicContact CB-CG1 4.09Å; N258-M264 HydrophobicContact CB-CB 4.29Å; N258-M264 HydrophobicContact CB-CE 3.97Å; N258-S269 WeakPolarHBondContact O-CB 3.09Å; N258-S269 PolarHBondContact O-OG 2.89Å
259	P	98.6	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.274	C	S	.	.			trans	-77.3	-8.6	-173	32.1	-37.5	0	0	0	113.7	M220 T223 A224 S269 Y273 S324 F327	M220-P259 HydrophobicContact SD-CB 3.81Å; M220-P259 HydrophobicContact SD-CG 3.96Å; T223-P259 HydrophobicContact CG2-CG 3.95Å; A224-P259 HydrophobicContact CB-CG 4.3Å; P259-S269 VanDerWaalsContact O-CB 3.29Å; P259-S269 WeakPolarHBondContact O-CB 3.5Å; P259-Y273 WeakPolarHBondContact O-CE1 3.38Å; P259-Y273 PolarHBondContact O-OH 3.2Å; P259-S324 WeakPolarHBondContact CB-O 2.87Å; P259-F327 HydrophobicContact CB-CB 3.78Å; P259-F327 HydrophobicContact CG-CB 4.27Å
260	V	98.6	Very high	96.8	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	27%	0.274	C	S	.	.	S	Bend	trans	-90.2	121.9	-176.4	-175.3	0	0	0	0	111.1	M227 I231 P237 N258 G262 V263 F327	M227-V260 HydrophobicContact CB-CG2 3.63Å; M227-V260 HydrophobicContact CE-CB 4.07Å; M227-V260 HydrophobicContact CE-CG2 3.54Å; M227-V260 HydrophobicContact CG-CG2 3.91Å; I231-V260 HydrophobicContact CD1-CG1 4.22Å; P237-V260 HydrophobicContact CB-CG1 4.04Å; N258-V260 VanDerWaalsContact C-N 3.26Å; N258-V260 PolarHBondContact O-N 3.37Å; N258-V260 PolarHBondContact OD1-N 3.39Å; N258-V260 VanDerWaalsContact OD1-N 3.14Å; V260-G262 PolarHBondContact O-N 3.39Å; V260-V263 HydrophobicContact CB-CG2 3.79Å; V260-V263 HydrophobicContact CG1-CG2 3.92Å; V260-V263 PolarHBondContact O-N 2.65Å; V260-F327 HydrophobicContact CB-CE1 4.28Å; V260-F327 HydrophobicContact CB-CZ 4.33Å; V260-F327 HydrophobicContact CG1-CE1 3.99Å; V260-F327 HydrophobicContact CG1-CZ 3.92Å; V260-F327 HydrophobicContact CG2-CD1 4.24Å; V260-F327 HydrophobicContact CG2-CD2 3.92Å; V260-F327 HydrophobicContact CG2-CE1 4.05Å; V260-F327 HydrophobicContact CG2-CE2 3.7Å; V260-F327 HydrophobicContact CG2-CG 4.17Å; V260-F327 HydrophobicContact CG2-CZ 3.77Å
261	P	98.5	Very high	96.7	Very high	67 Å²	67	43.2 Å²	43.2	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	133.2	177.2	-26.3	35.5	0	0	0	112.4	S269	P261-S269 WeakPolarHBondContact CB-O 3.44Å; P261-S269 WeakPolarHBondContact CG-O 3.16Å
262	G	97.8	Very high	96.7	Very high	46 Å²	46	46.2 Å²	46.2	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-3.2	177.6	0	0	0	0	0	115.7	K238 V260	K238-G262 WeakPolarHBondContact CE-O 3.37Å; V260-G262 PolarHBondContact O-N 3.39Å
263	V	98.4	Very high	96.8	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-38.4	173.5	172.5	0	0	0	0	112	M227 P237 K238 A241 N258 V260	M227-V263 HydrophobicContact CE-CG2 4.16Å; P237-V263 HydrophobicContact CB-CG2 3.86Å; K238-V263 HydrophobicContact CG-CG2 4.5Å; A241-V263 HydrophobicContact CB-CG1 3.52Å; N258-V263 HydrophobicContact CB-CB 4.47Å; N258-V263 HydrophobicContact CB-CG1 4.09Å; V260-V263 HydrophobicContact CB-CG2 3.79Å; V260-V263 HydrophobicContact CG1-CG2 3.92Å; V260-V263 PolarHBondContact O-N 2.65Å
264	M	97.8	Very high	96.6	Very high	42 Å²	42	46.6 Å²	46.6	21%	0.207	29%	0.289	C	S	.	.	S	Bend	trans	-139.4	140.1	-174.3	-169.8	178.8	-65.4	0	0	110.5	D255 T256 N258 V267	D255-M264 WeakPolarHBondContact O-CE 3.19Å; T256-M264 VanDerWaalsContact O-SD 3.33Å; N258-M264 HydrophobicContact CB-CB 4.29Å; N258-M264 HydrophobicContact CB-CE 3.97Å; M264-V267 HydrophobicContact CB-CG2 3.9Å; M264-V267 HydrophobicContact CG-CG1 4.08Å; M264-V267 HydrophobicContact CG-CG2 4.23Å; M264-V267 WeakPolarHBondContact O-CG2 3.49Å; M264-V267 HydrophobicContact SD-CG1 3.59Å; M264-V267 VanDerWaalsContact SD-CG1 3.59Å; M264-V267 HydrophobicContact SD-CG2 4.49Å
265	D	96.3	Very high	96.1	Very high	149 Å²	149	49.2 Å²	49.2	80%	0.797	32%	0.316	S	S	*	.	S	Bend	trans	-86.4	158.3	174.5	-61.4	-39	0	0	0	110.9	V267	D265-V267 PolarHBondContact O-N 3.44Å
266	G	90.8	Very high	95.8	Very high	86 Å²	86	48.3 Å²	48.3	89%	0.887	32%	0.32	S	S	*	.	S	Bend	trans	73	4.7	174.3	0	0	0	0	0	115.8
267	V	93.8	Very high	95.7	Very high	12 Å²	12	47 Å²	47	7%	0.073	31%	0.309	C	S	.	.	S	Bend	trans	-106.8	158.1	175	-63.4	0	0	0	0	111.3	T256 Y257 M264 D265 S269 A270	T256-V267 WeakPolarHBondContact O-CG1 3.42Å; Y257-V267 HydrophobicContact CD2-CG1 4.07Å; M264-V267 HydrophobicContact CB-CG2 3.9Å; M264-V267 HydrophobicContact CG-CG1 4.08Å; M264-V267 HydrophobicContact CG-CG2 4.23Å; M264-V267 WeakPolarHBondContact O-CG2 3.49Å; M264-V267 HydrophobicContact SD-CG1 3.59Å; M264-V267 VanDerWaalsContact SD-CG1 3.59Å; M264-V267 HydrophobicContact SD-CG2 4.49Å; D265-V267 PolarHBondContact O-N 3.44Å; V267-S269 VanDerWaalsContact C-N 3.27Å; V267-S269 WeakPolarHBondContact CG2-OG 3.33Å; V267-S269 PolarHBondContact O-N 3.02Å; V267-A270 WeakPolarHBondContact O-CB 3.43Å; V267-A270 PolarHBondContact O-N 3.19Å
268	P	95.8	Very high	95.6	Very high	10 Å²	10	46 Å²	46	7%	0.065	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.4	-32.2	-176.2	-26.8	35.1	0	0	0	114.7	Y257 A270 N271 N272 Y273 D322	Y257-P268 HydrophobicContact CE1-CG 3.86Å; Y257-P268 HydrophobicContact CE2-CG 4.18Å; Y257-P268 VanDerWaalsContact CZ-CG 3.44Å; Y257-P268 WeakPolarHBondContact OH-CD 3.39Å; Y257-P268 WeakPolarHBondContact OH-CG 3.47Å; P268-A270 PolarHBondContact O-N 3.2Å; P268-N271 CarbonylContact O-C 3.24Å; P268-N271 VanDerWaalsContact O-C 3.24Å; P268-N271 WeakPolarHBondContact O-CA 3.46Å; P268-N271 PolarHBondContact O-N 2.85Å; P268-N272 PolarHBondContact O-N 3.28Å; P268-Y273 VanDerWaalsContact O-CA 3.22Å; P268-Y273 WeakPolarHBondContact O-CA 3.32Å; P268-Y273 PolarHBondContact O-N 3.38Å; P268-D322 HydrophobicContact CB-CB 3.59Å; P268-D322 HydrophobicContact CG-CB 3.89Å
269	S	97.6	Very high	95.6	Very high	3 Å²	3	46 Å²	46	2%	0.021	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59.8	-26.6	176.6	63.7	0	0	0	0	112.6	N258 P259 P261 V267 N271	N258-S269 WeakPolarHBondContact O-CB 3.09Å; N258-S269 PolarHBondContact O-OG 2.89Å; P259-S269 VanDerWaalsContact O-CB 3.29Å; P259-S269 WeakPolarHBondContact O-CB 3.5Å; P261-S269 WeakPolarHBondContact CB-O 3.44Å; P261-S269 WeakPolarHBondContact CG-O 3.16Å; V267-S269 VanDerWaalsContact C-N 3.27Å; V267-S269 WeakPolarHBondContact CG2-OG 3.33Å; V267-S269 PolarHBondContact O-N 3.02Å; S269-N271 VanDerWaalsContact C-N 3.29Å
270	A	97.4	Very high	95.5	Very high	54 Å²	54	49.1 Å²	49.1	45%	0.446	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-77.7	-10.8	172.4	0	0	0	0	0	113.9	V267 P268	V267-A270 WeakPolarHBondContact O-CB 3.43Å; V267-A270 PolarHBondContact O-N 3.19Å; P268-A270 PolarHBondContact O-N 3.2Å
271	N	97	Very high	95.3	Very high	91 Å²	91	52.7 Å²	52.7	49%	0.487	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-129.7	45.6	-179.4	-169.5	30.7	0	0	0	111.9	P268 S269 Y273 Q274	P268-N271 CarbonylContact O-C 3.24Å; P268-N271 VanDerWaalsContact O-C 3.24Å; P268-N271 WeakPolarHBondContact O-CA 3.46Å; P268-N271 PolarHBondContact O-N 2.85Å; S269-N271 VanDerWaalsContact C-N 3.29Å; N271-Y273 PolarHBondContact O-N 2.98Å; N271-Q274 WeakPolarHBondContact O-CB 3.33Å; N271-Q274 WeakPolarHBondContact O-CG 3.37Å; N271-Q274 PolarHBondContact O-N 2.77Å
272	N	97.4	Very high	95.3	Very high	95 Å²	95	49.5 Å²	49.5	51%	0.508	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	33.4	178	-165.5	19.2	0	0	0	114.3	P268 Q274 K321	P268-N272 PolarHBondContact O-N 3.28Å; N272-Q274 VanDerWaalsContact C-N 3.26Å; N272-Q274 PolarHBondContact O-N 3.39Å; N272-K321 PolarHBondContact O-NZ 3.35Å; N272-K321 PolarHBondContact OD1-NZ 3.03Å; N272-K321 VanDerWaalsContact OD1-NZ 3.11Å
273	Y	97.2	Very high	95.3	Very high	6 Å²	6	47.3 Å²	47.3	2%	0.024	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	30.8	-178.3	-47.5	-86	0	0	0	114	P259 P268 N271 K321 D322 S324 S325 Q328	P259-Y273 WeakPolarHBondContact O-CE1 3.38Å; P259-Y273 PolarHBondContact O-OH 3.2Å; P268-Y273 VanDerWaalsContact O-CA 3.22Å; P268-Y273 WeakPolarHBondContact O-CA 3.32Å; P268-Y273 PolarHBondContact O-N 3.38Å; N271-Y273 PolarHBondContact O-N 2.98Å; Y273-K321 CarbonylContact O-C 3.59Å; Y273-K321 WeakPolarHBondContact O-CA 3.4Å; Y273-D322 PolarHBondContact O-N 2.94Å; Y273-S324 WeakPolarHBondContact CD1-OG 3.31Å; Y273-S325 VanDerWaalsContact CD1-CA 3.45Å; Y273-S325 VanDerWaalsContact CD1-N 3.35Å; Y273-Q328 HydrophobicContact CE2-CB 3.75Å; Y273-Q328 HydrophobicContact CE2-CG 4.42Å
274	Q	94.4	Very high	95.3	Very high	121 Å²	121	48.1 Å²	48.1	57%	0.565	31%	0.305	S	S	*	.			trans	-78.3	147.3	173.4	-65.5	-178.4	7.5	0	0	111.9	N271 N272	N271-Q274 WeakPolarHBondContact O-CB 3.33Å; N271-Q274 WeakPolarHBondContact O-CG 3.37Å; N271-Q274 PolarHBondContact O-N 2.77Å; N272-Q274 VanDerWaalsContact C-N 3.26Å; N272-Q274 PolarHBondContact O-N 3.39Å
275	G	87.9	Confident	95.3	Very high	55 Å²	55	46.3 Å²	46.3	57%	0.567	30%	0.296	S	S	*	.	S	Bend	trans	70.9	-139.4	178.1	0	0	0	0	0	112.6
276	G	88.8	Confident	95.4	Very high	38 Å²	38	39.3 Å²	39.3	39%	0.392	26%	0.259	S	S	.	.	S	Bend	trans	63.5	-142.2	176.3	0	0	0	0	0	114.3	D322	G276-D322 WeakPolarHBondContact CA-OD2 3.43Å
277	F	91.4	Very high	95.8	Very high	40 Å²	40	35.9 Å²	35.9	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	-104.9	104.3	176.1	-176.4	-120.7	0	0	0	109.8	L281 M282 D322 F323	F277-L281 HydrophobicContact CD2-CB 4.09Å; F277-L281 HydrophobicContact CD2-CD1 4.09Å; F277-L281 HydrophobicContact CE1-CB 4.48Å; F277-L281 HydrophobicContact CE2-CB 3.43Å; F277-L281 VanDerWaalsContact CE2-CB 3.43Å; F277-L281 HydrophobicContact CE2-CD1 3.95Å; F277-L281 HydrophobicContact CE2-CG 4.34Å; F277-L281 HydrophobicContact CZ-CB 3.66Å; F277-M282 HydrophobicContact CD1-CB 4.16Å; F277-M282 HydrophobicContact CD1-CE 3.92Å; F277-M282 HydrophobicContact CE1-CB 3.69Å; F277-M282 HydrophobicContact CE1-CE 3.67Å; F277-M282 HydrophobicContact CE1-CG 4.44Å; F277-M282 HydrophobicContact CE1-SD 4.06Å; F277-D322 PolarHBondContact N-OD2 3.35Å; F277-D322 CarbonylContact O-C 3.55Å; F277-D322 WeakPolarHBondContact O-CA 3.25Å; F277-F323 HydrophobicContact CB-CD1 3.91Å; F277-F323 HydrophobicContact CB-CE1 4.18Å; F277-F323 AromaticContact CD1-CD1 3.95Å; F277-F323 HydrophobicContact CD1-CD1 3.95Å; F277-F323 HydrophobicContact CD1-CE1 4.39Å; F277-F323 HydrophobicContact CD1-CG 4.27Å; F277-F323 HydrophobicContact CG-CD1 4.44Å; F277-F323 WeakPolarHBondContact O-CD1 3.44Å; F277-F323 PolarHBondContact O-N 3.03Å
278	G	94.6	Very high	96	Very high	15 Å²	15	35.9 Å²	35.9	16%	0.155	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-61.2	143.6	-171.3	0	0	0	0	0	113.9	T280 L281 M282 K321	G278-T280 PolarHBondContact O-N 2.86Å; G278-L281 WeakPolarHBondContact O-CA 3.41Å; G278-L281 WeakPolarHBondContact O-CB 3.34Å; G278-L281 PolarHBondContact O-N 3.39Å; G278-M282 PolarHBondContact O-N 2.8Å; G278-K321 WeakPolarHBondContact CA-O 3.42Å
279	T	97.9	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-53.6	-38	178.1	-66.1	0	0	0	0	112.5	L281 M282 A283 Y310 M313 Y318 K321	T279-L281 VanDerWaalsContact C-N 3.3Å; T279-L281 PolarHBondContact O-N 2.89Å; T279-M282 PolarHBondContact O-N 2.82Å; T279-A283 VanDerWaalsContact O-CB 3.31Å; T279-A283 WeakPolarHBondContact O-CB 3.49Å; T279-A283 PolarHBondContact O-N 3.11Å; T279-Y310 HydrophobicContact CG2-CD1 4.05Å; T279-M313 HydrophobicContact CG2-CB 3.84Å; T279-M313 HydrophobicContact CG2-CE 4.14Å; T279-Y318 WeakPolarHBondContact CB-O 3.3Å; T279-Y318 PolarHBondContact OG1-O 3.29Å; T279-K321 WeakPolarHBondContact CB-O 3.36Å; T279-K321 PolarHBondContact N-O 2.96Å; T279-K321 PolarHBondContact OG1-O 2.9Å
280	T	96.6	Very high	96.2	Very high	66 Å²	66	37.3 Å²	37.3	41%	0.405	23%	0.229	S	C	.	.	H	α-helix	trans	-58	-41.7	173.6	-55.9	0	0	0	0	112.5	G278 K284 S319	G278-T280 PolarHBondContact O-N 2.86Å; T280-K284 WeakPolarHBondContact O-CB 3.32Å; T280-K284 PolarHBondContact O-N 2.88Å; T280-S319 PolarHBondContact N-O 3Å; T280-S319 VanDerWaalsContact N-O 3.13Å; T280-S319 WeakPolarHBondContact OG1-CB 3.48Å; T280-S319 PolarHBondContact OG1-O 3.14Å
281	L	94.1	Very high	96.2	Very high	81 Å²	81	39.1 Å²	39.1	42%	0.424	23%	0.231	S	C	.	.	H	α-helix	trans	-73	-41.6	-178.9	-60.4	177	0	0	0	110.9	F277 G278 T279 K284 D285	F277-L281 HydrophobicContact CD2-CB 4.09Å; F277-L281 HydrophobicContact CD2-CD1 4.09Å; F277-L281 HydrophobicContact CE1-CB 4.48Å; F277-L281 HydrophobicContact CE2-CB 3.43Å; F277-L281 VanDerWaalsContact CE2-CB 3.43Å; F277-L281 HydrophobicContact CE2-CD1 3.95Å; F277-L281 HydrophobicContact CE2-CG 4.34Å; F277-L281 HydrophobicContact CZ-CB 3.66Å; G278-L281 WeakPolarHBondContact O-CA 3.41Å; G278-L281 WeakPolarHBondContact O-CB 3.34Å; G278-L281 PolarHBondContact O-N 3.39Å; T279-L281 VanDerWaalsContact C-N 3.3Å; T279-L281 PolarHBondContact O-N 2.89Å; L281-K284 PolarHBondContact O-N 3.18Å; L281-D285 PolarHBondContact O-N 3.24Å
282	M	97.7	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-48.6	173.6	-179.8	55	84	0	0	111.2	L216 A217 F277 G278 T279 K284 D285 L286 Y310 F323	L216-M282 HydrophobicContact CD2-CE 3.89Å; L216-M282 HydrophobicContact CG-CE 4.06Å; A217-M282 HydrophobicContact CB-CE 4.33Å; A217-M282 HydrophobicContact CB-SD 3.83Å; F277-M282 HydrophobicContact CD1-CB 4.16Å; F277-M282 HydrophobicContact CD1-CE 3.92Å; F277-M282 HydrophobicContact CE1-CB 3.69Å; F277-M282 HydrophobicContact CE1-CE 3.67Å; F277-M282 HydrophobicContact CE1-CG 4.44Å; F277-M282 HydrophobicContact CE1-SD 4.06Å; G278-M282 PolarHBondContact O-N 2.8Å; T279-M282 PolarHBondContact O-N 2.82Å; M282-K284 VanDerWaalsContact C-N 3.26Å; M282-K284 PolarHBondContact O-N 2.93Å; M282-D285 PolarHBondContact O-N 3Å; M282-L286 HydrophobicContact CG-CD1 3.96Å; M282-L286 WeakPolarHBondContact O-CB 3.14Å; M282-L286 WeakPolarHBondContact O-CG 3.31Å; M282-L286 PolarHBondContact O-N 3.4Å; M282-L286 HydrophobicContact SD-CD1 4.06Å; M282-L286 HydrophobicContact SD-CG 4.13Å; M282-Y310 HydrophobicContact CG-CD1 4.12Å; M282-Y310 HydrophobicContact CG-CD2 3.75Å; M282-Y310 HydrophobicContact CG-CE1 4.15Å; M282-Y310 HydrophobicContact CG-CE2 3.76Å; M282-Y310 HydrophobicContact CG-CG 3.93Å; M282-F323 HydrophobicContact CB-CB 3.84Å; M282-F323 HydrophobicContact CE-CB 4.41Å; M282-F323 HydrophobicContact CE-CD2 3.38Å; M282-F323 HydrophobicContact CE-CE2 3.69Å; M282-F323 HydrophobicContact CE-CG 3.89Å; M282-F323 HydrophobicContact CE-CZ 4.41Å; M282-F323 HydrophobicContact CG-CB 4.08Å; M282-F323 HydrophobicContact CG-CD2 4.43Å
283	A	98.6	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-38.2	177.1	0	0	0	0	0	112.4	T279 G287	T279-A283 VanDerWaalsContact O-CB 3.31Å; T279-A283 WeakPolarHBondContact O-CB 3.49Å; T279-A283 PolarHBondContact O-N 3.11Å; A283-G287 PolarHBondContact O-N 3.32Å
284	K	97.8	Very high	96.4	Very high	47 Å²	47	36.5 Å²	36.5	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-41.9	176.9	170.4	-95.6	152.4	-171.7	0	112.1	T134 T280 L281 M282 L286 G287 L288	T134-K284 PolarHBondContact O-NZ 2.8Å; T280-K284 WeakPolarHBondContact O-CB 3.32Å; T280-K284 PolarHBondContact O-N 2.88Å; L281-K284 PolarHBondContact O-N 3.18Å; M282-K284 VanDerWaalsContact C-N 3.26Å; M282-K284 PolarHBondContact O-N 2.93Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-L286 PolarHBondContact O-N 2.94Å; K284-G287 PolarHBondContact O-N 3.36Å; K284-L288 VanDerWaalsContact CE-CD1 3.47Å; K284-L288 VanDerWaalsContact NZ-CD1 3.29Å; K284-L288 PolarHBondContact O-N 2.88Å; K284-L288 VanDerWaalsContact O-N 3.09Å
285	D	97.9	Very high	96.5	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-35.2	176.3	-76.5	-1.2	0	0	0	111.6	T134 N213 L281 M282 G287 L288 A289	T134-D285 WeakPolarHBondContact CG2-OD1 3.48Å; N213-D285 HydrophobicContact CB-CB 4.28Å; N213-D285 PolarHBondContact ND2-OD2 2.72Å; L281-D285 PolarHBondContact O-N 3.24Å; M282-D285 PolarHBondContact O-N 3Å; D285-G287 VanDerWaalsContact C-N 3.34Å; D285-L288 WeakPolarHBondContact O-CB 3.45Å; D285-L288 PolarHBondContact O-N 3.47Å; D285-A289 PolarHBondContact O-N 2.97Å
286	L	98.7	Very high	97	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-30.4	172.1	-69.4	170.2	0	0	0	113	M214 A217 M282 K284 A289 Q290 A306 H307 Y310	M214-L286 HydrophobicContact CB-CD2 4.26Å; M214-L286 HydrophobicContact CG-CD2 4.27Å; A217-L286 HydrophobicContact CB-CD1 3.69Å; A217-L286 HydrophobicContact CB-CD2 3.72Å; A217-L286 HydrophobicContact CB-CG 4.16Å; M282-L286 HydrophobicContact CG-CD1 3.96Å; M282-L286 WeakPolarHBondContact O-CB 3.14Å; M282-L286 WeakPolarHBondContact O-CG 3.31Å; M282-L286 PolarHBondContact O-N 3.4Å; M282-L286 HydrophobicContact SD-CD1 4.06Å; M282-L286 HydrophobicContact SD-CG 4.13Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-L286 PolarHBondContact O-N 2.94Å; L286-A289 WeakPolarHBondContact O-CB 3.4Å; L286-A289 PolarHBondContact O-N 3.32Å; L286-Q290 WeakPolarHBondContact O-CB 3.25Å; L286-Q290 PolarHBondContact O-N 3.37Å; L286-A306 HydrophobicContact CD1-CB 4.44Å; L286-H307 HydrophobicContact CB-CB 3.81Å; L286-Y310 HydrophobicContact CD1-CD2 3.44Å; L286-Y310 VanDerWaalsContact CD1-CD2 3.44Å; L286-Y310 HydrophobicContact CD1-CE2 4.27Å; L286-Y310 HydrophobicContact CD1-CG 4.13Å
287	G	98.6	Very high	97.4	Very high	13 Å²	13	44.5 Å²	44.5	13%	0.134	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-47.2	167.7	0	0	0	0	0	111.7	A283 K284 D285 A289 Q290 D291	A283-G287 PolarHBondContact O-N 3.32Å; K284-G287 PolarHBondContact O-N 3.36Å; D285-G287 VanDerWaalsContact C-N 3.34Å; G287-A289 VanDerWaalsContact C-N 3.3Å; G287-A289 PolarHBondContact O-N 3.07Å; G287-Q290 WeakPolarHBondContact O-CB 3.31Å; G287-Q290 PolarHBondContact O-N 3.47Å; G287-Q290 VanDerWaalsContact O-N 3.11Å; G287-D291 PolarHBondContact O-N 3.39Å
288	L	98.4	Very high	97.8	Very high	13 Å²	13	46 Å²	46	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-39.8	174.4	-62.8	177.3	0	0	0	112.3	T134 D136 I210 K284 D285 Q290 S292	T134-L288 HydrophobicContact CG2-CD1 4.08Å; D136-L288 HydrophobicContact CB-CD2 4.02Å; I210-L288 HydrophobicContact CD1-CB 3.84Å; I210-L288 HydrophobicContact CD1-CD1 4.26Å; I210-L288 HydrophobicContact CG1-CB 4.1Å; I210-L288 HydrophobicContact CG1-CD1 4.38Å; K284-L288 VanDerWaalsContact CE-CD1 3.47Å; K284-L288 VanDerWaalsContact NZ-CD1 3.29Å; K284-L288 PolarHBondContact O-N 2.88Å; K284-L288 VanDerWaalsContact O-N 3.09Å; D285-L288 WeakPolarHBondContact O-CB 3.45Å; D285-L288 PolarHBondContact O-N 3.47Å; L288-Q290 VanDerWaalsContact C-N 3.35Å; L288-S292 WeakPolarHBondContact O-CB 3.29Å; L288-S292 PolarHBondContact O-N 3.36Å; L288-S292 PolarHBondContact O-OG 3.45Å
289	A	98.6	Very high	98	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-43	174.4	0	0	0	0	0	111.7	I210 M214 D285 L286 G287 A293	I210-A289 VanDerWaalsContact CG2-CA 3.41Å; I210-A289 HydrophobicContact CG2-CB 3.58Å; M214-A289 HydrophobicContact CB-CB 4.16Å; M214-A289 HydrophobicContact CG-CB 4.35Å; M214-A289 HydrophobicContact SD-CB 4.09Å; D285-A289 PolarHBondContact O-N 2.97Å; L286-A289 WeakPolarHBondContact O-CB 3.4Å; L286-A289 PolarHBondContact O-N 3.32Å; G287-A289 VanDerWaalsContact C-N 3.3Å; G287-A289 PolarHBondContact O-N 3.07Å; A289-A293 WeakPolarHBondContact O-CB 3.47Å; A289-A293 PolarHBondContact O-N 2.89Å
290	Q	98.8	Very high	98	Very high	37 Å²	37	51.9 Å²	51.9	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-47	178.3	-168.6	76	73.8	0	0	112.1	L286 G287 L288 A293 T294 S304 H307	L286-Q290 WeakPolarHBondContact O-CB 3.25Å; L286-Q290 PolarHBondContact O-N 3.37Å; G287-Q290 WeakPolarHBondContact O-CB 3.31Å; G287-Q290 PolarHBondContact O-N 3.47Å; G287-Q290 VanDerWaalsContact O-N 3.11Å; L288-Q290 VanDerWaalsContact C-N 3.35Å; Q290-A293 PolarHBondContact O-N 2.97Å; Q290-T294 WeakPolarHBondContact O-CB 3.36Å; Q290-T294 PolarHBondContact O-N 3.07Å; Q290-T294 PolarHBondContact O-OG1 2.77Å; Q290-S304 PolarHBondContact NE2-OG 2.89Å; Q290-S304 PolarHBondContact OE1-OG 3.11Å; Q290-H307 PolarHBondContact OE1-ND1 3.32Å
291	D	98.4	Very high	98.1	Very high	93 Å²	93	56 Å²	56	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-44.2	-179	-66.4	-17.1	0	0	0	110.4	G287 A293 T294 S295	G287-D291 PolarHBondContact O-N 3.39Å; D291-A293 PolarHBondContact O-N 2.83Å; D291-T294 PolarHBondContact O-N 2.91Å; D291-S295 WeakPolarHBondContact O-CB 3.41Å; D291-S295 PolarHBondContact O-N 2.89Å
292	S	97.8	Very high	98.3	Very high	28 Å²	28	57.6 Å²	57.6	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.2	-65.4	0	0	0	0	112.3	L288 T294 S295 T296	L288-S292 WeakPolarHBondContact O-CB 3.29Å; L288-S292 PolarHBondContact O-N 3.36Å; L288-S292 PolarHBondContact O-OG 3.45Å; S292-T294 VanDerWaalsContact C-N 3.35Å; S292-S295 PolarHBondContact O-N 2.95Å; S292-T296 WeakPolarHBondContact O-CB 3.17Å; S292-T296 WeakPolarHBondContact O-CG2 3.17Å; S292-T296 PolarHBondContact O-N 3.17Å; S292-T296 PolarHBondContact O-OG1 3.24Å
293	A	98.4	Very high	98.4	Very high	10 Å²	10	57.8 Å²	57.8	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-40.1	177.3	0	0	0	0	0	111.7	A289 Q290 D291 T296 K297 T298 I300	A289-A293 WeakPolarHBondContact O-CB 3.47Å; A289-A293 PolarHBondContact O-N 2.89Å; Q290-A293 PolarHBondContact O-N 2.97Å; D291-A293 PolarHBondContact O-N 2.83Å; A293-T296 PolarHBondContact O-N 3.02Å; A293-T296 PolarHBondContact O-OG1 2.97Å; A293-K297 CarbonylContact O-C 3.59Å; A293-K297 WeakPolarHBondContact O-CA 3.22Å; A293-K297 PolarHBondContact O-N 3.34Å; A293-T298 PolarHBondContact O-N 2.94Å; A293-I300 HydrophobicContact CB-CB 4.5Å; A293-I300 HydrophobicContact CB-CD1 3.4Å; A293-I300 VanDerWaalsContact CB-CD1 3.4Å; A293-I300 HydrophobicContact CB-CG1 3.62Å; A293-I300 HydrophobicContact CB-CG2 4.05Å
294	T	98.6	Very high	98.4	Very high	98 Å²	98	59.5 Å²	59.5	60%	0.601	34%	0.339	S	S	*	.	H	α-helix	trans	-63.4	-49	175.1	-57	0	0	0	0	111	Q290 D291 S292 T296 K297	Q290-T294 WeakPolarHBondContact O-CB 3.36Å; Q290-T294 PolarHBondContact O-N 3.07Å; Q290-T294 PolarHBondContact O-OG1 2.77Å; D291-T294 PolarHBondContact O-N 2.91Å; S292-T294 VanDerWaalsContact C-N 3.35Å; T294-T296 VanDerWaalsContact C-N 3.3Å; T294-T296 PolarHBondContact O-N 2.91Å; T294-K297 PolarHBondContact O-N 3.22Å; T294-K297 VanDerWaalsContact O-N 3.15Å
295	S	97.4	Very high	98.5	Very high	102 Å²	102	61.9 Å²	61.9	71%	0.713	35%	0.354	S	S	*	.	H	α-helix	trans	-58.3	-41.2	178.6	-179	0	0	0	0	112.4	D291 S292	D291-S295 WeakPolarHBondContact O-CB 3.41Å; D291-S295 PolarHBondContact O-N 2.89Å; S292-S295 PolarHBondContact O-N 2.95Å
296	T	97.6	Very high	98.5	Very high	91 Å²	91	61.8 Å²	61.8	56%	0.558	35%	0.354	S	S	*	.	H	α-helix	trans	-88.6	-1.3	179.9	58.9	0	0	0	0	114.3	S292 A293 T294 T298	S292-T296 WeakPolarHBondContact O-CB 3.17Å; S292-T296 WeakPolarHBondContact O-CG2 3.17Å; S292-T296 PolarHBondContact O-N 3.17Å; S292-T296 PolarHBondContact O-OG1 3.24Å; A293-T296 PolarHBondContact O-N 3.02Å; A293-T296 PolarHBondContact O-OG1 2.97Å; T294-T296 VanDerWaalsContact C-N 3.3Å; T294-T296 PolarHBondContact O-N 2.91Å; T296-T298 VanDerWaalsContact C-N 3.25Å; T296-T298 PolarHBondContact O-N 3.23Å; T296-T298 PolarHBondContact OG1-OG1 2.83Å
297	K	98.4	Very high	98.5	Very high	189 Å²	189	62.9 Å²	62.9	82%	0.822	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	36.1	-175.4	-52	179.5	-177.8	179.8	0	113.4	A293 T294	A293-K297 CarbonylContact O-C 3.59Å; A293-K297 WeakPolarHBondContact O-CA 3.22Å; A293-K297 PolarHBondContact O-N 3.34Å; T294-K297 PolarHBondContact O-N 3.22Å; T294-K297 VanDerWaalsContact O-N 3.15Å
298	T	98.7	Very high	98.5	Very high	72 Å²	72	66.7 Å²	66.7	44%	0.442	37%	0.373	S	S	.	.			trans	-92.8	121.1	-179.1	-56.1	0	0	0	0	110.5	A293 T296 I300	A293-T298 PolarHBondContact O-N 2.94Å; T296-T298 VanDerWaalsContact C-N 3.25Å; T296-T298 PolarHBondContact O-N 3.23Å; T296-T298 PolarHBondContact OG1-OG1 2.83Å; T298-I300 HydrophobicContact CG2-CG2 4.19Å; T298-I300 PolarHBondContact O-N 3.19Å
299	P	98.6	Very high	98.5	Very high	115 Å²	115	66.8 Å²	66.8	75%	0.747	37%	0.373	S	S	*	.			trans	-73	121	177.6	29.3	-33.2	0	0	0	111
300	I	98.7	Very high	98.6	Very high	24 Å²	24	66.5 Å²	66.5	12%	0.123	37%	0.371	C	S	.	.			trans	-127.7	57.3	-177.6	55	157.2	0	0	0	112.1	M214 A293 T298 L302 G303 S304	M214-I300 HydrophobicContact CE-CG2 4.18Å; M214-I300 HydrophobicContact SD-CB 4.24Å; M214-I300 HydrophobicContact SD-CD1 4.04Å; M214-I300 HydrophobicContact SD-CG2 4.06Å; A293-I300 HydrophobicContact CB-CB 4.5Å; A293-I300 HydrophobicContact CB-CD1 3.4Å; A293-I300 VanDerWaalsContact CB-CD1 3.4Å; A293-I300 HydrophobicContact CB-CG1 3.62Å; A293-I300 HydrophobicContact CB-CG2 4.05Å; T298-I300 HydrophobicContact CG2-CG2 4.19Å; T298-I300 PolarHBondContact O-N 3.19Å; I300-L302 PolarHBondContact O-N 2.65Å; I300-G303 PolarHBondContact O-N 3.02Å; I300-S304 PolarHBondContact O-N 3.13Å; I300-S304 PolarHBondContact O-OG 2.81Å
301	L	98.8	Very high	98.6	Very high	152 Å²	152	70.8 Å²	70.8	80%	0.796	39%	0.386	S	S	*	.	H	α-helix	trans	-45.8	-53.3	-173.7	-63	173.8	0	0	0	113.8	L305	L301-L305 PolarHBondContact O-N 3Å
302	L	98.9	Very high	98.6	Very high	114 Å²	114	70.6 Å²	70.6	60%	0.597	38%	0.383	S	S	*	.	H	α-helix	trans	-72.6	-35.2	179.9	-59.3	-176.8	0	0	0	112.7	I218 I300 L305 A306	I218-L302 HydrophobicContact CD1-CB 3.99Å; I218-L302 HydrophobicContact CG1-CB 4.08Å; I218-L302 HydrophobicContact CG2-CB 4.14Å; I218-L302 HydrophobicContact CG2-CD1 4.15Å; I300-L302 PolarHBondContact O-N 2.65Å; L302-L305 PolarHBondContact O-N 2.85Å; L302-A306 WeakPolarHBondContact O-CB 3.45Å; L302-A306 PolarHBondContact O-N 2.88Å
303	G	98.8	Very high	98.6	Very high	4 Å²	4	69.3 Å²	69.3	4%	0.041	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-42.7	175.9	0	0	0	0	0	112	I300 A306 H307	I300-G303 PolarHBondContact O-N 3.02Å; G303-A306 PolarHBondContact O-N 2.73Å; G303-H307 WeakPolarHBondContact O-CB 3.38Å; G303-H307 PolarHBondContact O-N 3.05Å
304	S	98.9	Very high	98.6	Very high	36 Å²	36	69.9 Å²	69.9	25%	0.252	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-45.3	174.6	-64.8	0	0	0	0	111.5	Q290 I300 H307 Q308	Q290-S304 PolarHBondContact NE2-OG 2.89Å; Q290-S304 PolarHBondContact OE1-OG 3.11Å; I300-S304 PolarHBondContact O-N 3.13Å; I300-S304 PolarHBondContact O-OG 2.81Å; S304-H307 WeakPolarHBondContact O-CB 3.34Å; S304-H307 PolarHBondContact O-N 2.98Å; S304-Q308 WeakPolarHBondContact O-CG 3.44Å; S304-Q308 PolarHBondContact O-N 2.95Å
305	L	98.9	Very high	98.6	Very high	98 Å²	98	69.5 Å²	69.5	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-64.8	-43.5	177.5	-174.5	60.1	0	0	0	111.5	L301 L302 H307 Q308 I309	L301-L305 PolarHBondContact O-N 3Å; L302-L305 PolarHBondContact O-N 2.85Å; L305-H307 VanDerWaalsContact C-N 3.3Å; L305-H307 PolarHBondContact O-N 3.49Å; L305-Q308 PolarHBondContact O-N 3.19Å; L305-Q308 VanDerWaalsContact O-N 3.13Å; L305-I309 HydrophobicContact CD1-CD1 4.42Å; L305-I309 HydrophobicContact CG-CD1 3.95Å; L305-I309 HydrophobicContact CG-CG1 4.49Å; L305-I309 WeakPolarHBondContact O-CG1 3.49Å; L305-I309 PolarHBondContact O-N 3.41Å
306	A	98.9	Very high	98.6	Very high	2 Å²	2	71 Å²	71	2%	0.017	38%	0.377	C	S	.	.	H	α-helix	trans	-57.8	-43.7	175	0	0	0	0	0	111.7	A217 I218 I221 L286 L302 G303 Q308 I309 Y310	A217-A306 HydrophobicContact CB-CB 4.16Å; I218-A306 HydrophobicContact CG1-CB 4.19Å; I221-A306 HydrophobicContact CD1-CB 3.57Å; L286-A306 HydrophobicContact CD1-CB 4.44Å; L302-A306 WeakPolarHBondContact O-CB 3.45Å; L302-A306 PolarHBondContact O-N 2.88Å; G303-A306 PolarHBondContact O-N 2.73Å; A306-Q308 PolarHBondContact O-N 3.23Å; A306-I309 PolarHBondContact O-N 2.89Å; A306-Y310 WeakPolarHBondContact O-CD2 3.38Å; A306-Y310 PolarHBondContact O-N 3.13Å; A306-Y310 VanDerWaalsContact O-N 3.07Å
307	H	98.9	Very high	98.5	Very high	25 Å²	25	69.6 Å²	69.6	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-55.8	-51	173.8	178.8	-155.5	0	0	0	110.9	L286 Q290 G303 S304 L305 I309 Y310 R311	L286-H307 HydrophobicContact CB-CB 3.81Å; Q290-H307 PolarHBondContact OE1-ND1 3.32Å; G303-H307 WeakPolarHBondContact O-CB 3.38Å; G303-H307 PolarHBondContact O-N 3.05Å; S304-H307 WeakPolarHBondContact O-CB 3.34Å; S304-H307 PolarHBondContact O-N 2.98Å; L305-H307 VanDerWaalsContact C-N 3.3Å; L305-H307 PolarHBondContact O-N 3.49Å; H307-I309 PolarHBondContact O-N 3.29Å; H307-Y310 PolarHBondContact O-N 3.38Å; H307-R311 WeakPolarHBondContact O-CG 3.2Å; H307-R311 PolarHBondContact O-N 3.49Å
308	Q	98.8	Very high	98.5	Very high	92 Å²	92	61 Å²	61	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-38.8	-178.7	-59.4	-36.6	-60.4	0	0	112.9	S304 L305 A306 Y310 R311 M312	S304-Q308 WeakPolarHBondContact O-CG 3.44Å; S304-Q308 PolarHBondContact O-N 2.95Å; L305-Q308 PolarHBondContact O-N 3.19Å; L305-Q308 VanDerWaalsContact O-N 3.13Å; A306-Q308 PolarHBondContact O-N 3.23Å; Q308-Y310 PolarHBondContact O-N 2.94Å; Q308-R311 PolarHBondContact O-N 3.35Å; Q308-M312 WeakPolarHBondContact O-CG 3.34Å; Q308-M312 PolarHBondContact O-N 2.87Å
309	I	98.9	Very high	98.4	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.077	34%	0.336	C	S	.	.	H	α-helix	trans	-58.4	-50.7	175.5	-71.4	165.4	0	0	0	110.5	I221 L305 A306 H307 R311 M312 M313 V326 F329	I221-I309 HydrophobicContact CD1-CB 4.2Å; I221-I309 HydrophobicContact CD1-CD1 3.99Å; I221-I309 HydrophobicContact CD1-CG2 4.15Å; I221-I309 HydrophobicContact CG2-CD1 4.08Å; L305-I309 HydrophobicContact CD1-CD1 4.42Å; L305-I309 HydrophobicContact CG-CD1 3.95Å; L305-I309 HydrophobicContact CG-CG1 4.49Å; L305-I309 WeakPolarHBondContact O-CG1 3.49Å; L305-I309 PolarHBondContact O-N 3.41Å; A306-I309 PolarHBondContact O-N 2.89Å; H307-I309 PolarHBondContact O-N 3.29Å; I309-R311 VanDerWaalsContact C-N 3.29Å; I309-R311 PolarHBondContact O-N 3.16Å; I309-M312 HydrophobicContact CG1-CE 4.13Å; I309-M312 WeakPolarHBondContact O-CB 3.36Å; I309-M312 PolarHBondContact O-N 3.01Å; I309-M312 VanDerWaalsContact O-N 3.13Å; I309-M313 HydrophobicContact CG2-SD 4.15Å; I309-M313 WeakPolarHBondContact O-CG 3.35Å; I309-M313 PolarHBondContact O-N 3.42Å; I309-V326 HydrophobicContact CG2-CG2 3.79Å; I309-F329 HydrophobicContact CG2-CD1 4.47Å; I309-F329 HydrophobicContact CG2-CE1 4.39Å
310	Y	98.9	Very high	98.3	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-28.7	178.9	-80.9	-64.2	0	0	0	113	A217 I221 T279 M282 L286 A306 H307 Q308 M313 C314 F323 V326	A217-Y310 HydrophobicContact CB-CD2 4.33Å; A217-Y310 HydrophobicContact CB-CE2 3.9Å; I221-Y310 HydrophobicContact CD1-CD2 4.15Å; I221-Y310 HydrophobicContact CD1-CE2 3.79Å; I221-Y310 HydrophobicContact CG1-CE2 4.04Å; T279-Y310 HydrophobicContact CG2-CD1 4.05Å; M282-Y310 HydrophobicContact CG-CD1 4.12Å; M282-Y310 HydrophobicContact CG-CD2 3.75Å; M282-Y310 HydrophobicContact CG-CE1 4.15Å; M282-Y310 HydrophobicContact CG-CE2 3.76Å; M282-Y310 HydrophobicContact CG-CG 3.93Å; L286-Y310 HydrophobicContact CD1-CD2 3.44Å; L286-Y310 VanDerWaalsContact CD1-CD2 3.44Å; L286-Y310 HydrophobicContact CD1-CE2 4.27Å; L286-Y310 HydrophobicContact CD1-CG 4.13Å; A306-Y310 WeakPolarHBondContact O-CD2 3.38Å; A306-Y310 PolarHBondContact O-N 3.13Å; A306-Y310 VanDerWaalsContact O-N 3.07Å; H307-Y310 PolarHBondContact O-N 3.38Å; Q308-Y310 PolarHBondContact O-N 2.94Å; Y310-M313 HydrophobicContact CD1-CE 4.04Å; Y310-M313 HydrophobicContact CD1-SD 3.53Å; Y310-M313 VanDerWaalsContact CD1-SD 3.53Å; Y310-M313 HydrophobicContact CE1-CE 3.86Å; Y310-M313 HydrophobicContact CE1-SD 3.67Å; Y310-M313 HydrophobicContact CG-SD 4.37Å; Y310-C314 PolarHBondContact O-N 3.33Å; Y310-C314 PolarHBondContact O-SG 3.36Å; Y310-C314 VanDerWaalsContact O-SG 3.38Å; Y310-F323 HydrophobicContact CE1-CB 3.77Å; Y310-F323 VanDerWaalsContact CE1-O 3.25Å; Y310-F323 WeakPolarHBondContact CE1-O 3.35Å; Y310-F323 WeakPolarHBondContact OH-CD2 3.29Å; Y310-F323 PolarHBondContact OH-O 3.23Å; Y310-V326 HydrophobicContact CE1-CB 4.28Å
311	R	98.8	Very high	98.3	Very high	127 Å²	127	64 Å²	64	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-43.3	168.9	-69.2	-52	-64.3	170.3	-3.5	112.4	H307 Q308 I309 C314 A315	H307-R311 WeakPolarHBondContact O-CG 3.2Å; H307-R311 PolarHBondContact O-N 3.49Å; Q308-R311 PolarHBondContact O-N 3.35Å; I309-R311 VanDerWaalsContact C-N 3.29Å; I309-R311 PolarHBondContact O-N 3.16Å; R311-C314 WeakPolarHBondContact O-CB 3.49Å; R311-C314 PolarHBondContact O-N 2.95Å; R311-A315 PolarHBondContact O-N 2.92Å
312	M	98.6	Very high	98.2	Very high	89 Å²	89	56.7 Å²	56.7	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.4	-70.3	-172.8	-70.3	0	0	111.6	Q308 I309 C314 A315 K316 F329	Q308-M312 WeakPolarHBondContact O-CG 3.34Å; Q308-M312 PolarHBondContact O-N 2.87Å; I309-M312 HydrophobicContact CG1-CE 4.13Å; I309-M312 WeakPolarHBondContact O-CB 3.36Å; I309-M312 PolarHBondContact O-N 3.01Å; I309-M312 VanDerWaalsContact O-N 3.13Å; M312-C314 VanDerWaalsContact C-N 3.35Å; M312-C314 PolarHBondContact O-N 3.13Å; M312-A315 PolarHBondContact O-N 3.44Å; M312-A315 VanDerWaalsContact O-N 3.1Å; M312-K316 WeakPolarHBondContact O-CG 3.49Å; M312-K316 PolarHBondContact O-N 2.92Å; M312-K316 VanDerWaalsContact O-N 3.1Å; M312-F329 HydrophobicContact CB-CZ 4.36Å
313	M	98.5	Very high	98.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57	-46.2	175.5	-72.7	174.3	65.7	0	0	111.9	T279 I309 Y310 A315 K316 Y318 S325 V326 F329	T279-M313 HydrophobicContact CG2-CB 3.84Å; T279-M313 HydrophobicContact CG2-CE 4.14Å; I309-M313 HydrophobicContact CG2-SD 4.15Å; I309-M313 WeakPolarHBondContact O-CG 3.35Å; I309-M313 PolarHBondContact O-N 3.42Å; Y310-M313 HydrophobicContact CD1-CE 4.04Å; Y310-M313 HydrophobicContact CD1-SD 3.53Å; Y310-M313 VanDerWaalsContact CD1-SD 3.53Å; Y310-M313 HydrophobicContact CE1-CE 3.86Å; Y310-M313 HydrophobicContact CE1-SD 3.67Å; Y310-M313 HydrophobicContact CG-SD 4.37Å; M313-A315 PolarHBondContact O-N 3.31Å; M313-K316 PolarHBondContact O-N 2.88Å; M313-Y318 HydrophobicContact CB-CG 4.38Å; M313-Y318 HydrophobicContact CE-CD1 4.32Å; M313-Y318 HydrophobicContact CE-CG 4.36Å; M313-Y318 WeakPolarHBondContact O-CB 3.38Å; M313-Y318 PolarHBondContact O-N 3.5Å; M313-Y318 VanDerWaalsContact O-N 3.1Å; M313-S325 WeakPolarHBondContact CE-OG 3.19Å; M313-V326 HydrophobicContact CE-CB 3.83Å; M313-V326 HydrophobicContact CE-CG2 4.46Å; M313-V326 VanDerWaalsContact CE-N 3.32Å; M313-V326 HydrophobicContact SD-CB 3.62Å; M313-V326 HydrophobicContact SD-CG2 3.61Å; M313-F329 HydrophobicContact CG-CB 4.08Å; M313-F329 HydrophobicContact CG-CD1 3.69Å; M313-F329 HydrophobicContact CG-CD2 4.22Å; M313-F329 HydrophobicContact CG-CE1 4.17Å; M313-F329 HydrophobicContact CG-CG 3.71Å; M313-F329 HydrophobicContact SD-CB 4.44Å; M313-F329 HydrophobicContact SD-CD1 4.3Å
314	C	98.4	Very high	98.1	Very high	23 Å²	23	51.2 Å²	51.2	16%	0.155	28%	0.275	C	S	.	.	I	π-helix	trans	-53.5	-40.3	175.2	-79.7	0	0	0	0	112.7	Y310 R311 M312 K316	Y310-C314 PolarHBondContact O-N 3.33Å; Y310-C314 PolarHBondContact O-SG 3.36Å; Y310-C314 VanDerWaalsContact O-SG 3.38Å; R311-C314 WeakPolarHBondContact O-CB 3.49Å; R311-C314 PolarHBondContact O-N 2.95Å; M312-C314 VanDerWaalsContact C-N 3.35Å; M312-C314 PolarHBondContact O-N 3.13Å; C314-K316 VanDerWaalsContact C-N 3.35Å
315	A	97.9	Very high	98.1	Very high	89 Å²	89	49.5 Å²	49.5	74%	0.736	26%	0.263	S	S	*	.	I	π-helix	trans	-78.9	-15	179.9	0	0	0	0	0	114	R311 M312 M313	R311-A315 PolarHBondContact O-N 2.92Å; M312-A315 PolarHBondContact O-N 3.44Å; M312-A315 VanDerWaalsContact O-N 3.1Å; M313-A315 PolarHBondContact O-N 3.31Å
316	K	97.4	Very high	98.1	Very high	133 Å²	133	44.9 Å²	44.9	58%	0.578	24%	0.239	S	C	*	.	I	π-helix	trans	-108.3	27.9	-176.4	-70.3	176.2	173.7	-84.4	0	113.2	M312 M313 C314 Y318 F329	M312-K316 WeakPolarHBondContact O-CG 3.49Å; M312-K316 PolarHBondContact O-N 2.92Å; M312-K316 VanDerWaalsContact O-N 3.1Å; M313-K316 PolarHBondContact O-N 2.88Å; C314-K316 VanDerWaalsContact C-N 3.35Å; K316-Y318 HydrophobicContact CB-CD2 4.26Å; K316-Y318 HydrophobicContact CB-CE2 4.49Å; K316-Y318 VanDerWaalsContact O-CD2 3.25Å; K316-Y318 WeakPolarHBondContact O-CD2 3.26Å; K316-Y318 WeakPolarHBondContact O-CE2 3.48Å; K316-F329 HydrophobicContact CD-CE2 3.59Å; K316-F329 HydrophobicContact CD-CZ 4.27Å
317	G	96.5	Very high	98.1	Very high	63 Å²	63	45 Å²	45	65%	0.649	24%	0.239	S	C	*	.	I	π-helix	trans	85.6	3.7	173.8	0	0	0	0	0	115.7
318	Y	98	Very high	98	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.027	25%	0.246	C	C	.	.	I	π-helix	trans	-90.3	-4.2	179.3	-66.9	-97	0	0	0	113.7	T279 M313 K316 K320 K321 Q328 F329 E332	T279-Y318 WeakPolarHBondContact CB-O 3.3Å; T279-Y318 PolarHBondContact OG1-O 3.29Å; M313-Y318 HydrophobicContact CB-CG 4.38Å; M313-Y318 HydrophobicContact CE-CD1 4.32Å; M313-Y318 HydrophobicContact CE-CG 4.36Å; M313-Y318 WeakPolarHBondContact O-CB 3.38Å; M313-Y318 PolarHBondContact O-N 3.5Å; M313-Y318 VanDerWaalsContact O-N 3.1Å; K316-Y318 HydrophobicContact CB-CD2 4.26Å; K316-Y318 HydrophobicContact CB-CE2 4.49Å; K316-Y318 VanDerWaalsContact O-CD2 3.25Å; K316-Y318 WeakPolarHBondContact O-CD2 3.26Å; K316-Y318 WeakPolarHBondContact O-CE2 3.48Å; Y318-K320 PolarHBondContact O-N 3.22Å; Y318-K321 HydrophobicContact CD1-CD 3.68Å; Y318-K321 HydrophobicContact CE1-CD 4.16Å; Y318-K321 HydrophobicContact CG-CD 4.46Å; Y318-K321 WeakPolarHBondContact O-CB 3.38Å; Y318-K321 PolarHBondContact O-N 3.43Å; Y318-Q328 HydrophobicContact CE1-CB 4.08Å; Y318-Q328 HydrophobicContact CE1-CG 3.97Å; Y318-F329 HydrophobicContact CD2-CD2 4.47Å; Y318-F329 HydrophobicContact CE1-CB 4.25Å; Y318-F329 HydrophobicContact CE2-CB 4.31Å; Y318-F329 AromaticContact CE2-CD2 3.99Å; Y318-F329 HydrophobicContact CE2-CD2 3.99Å; Y318-E332 PolarHBondContact OH-OE1 2.96Å; Y318-E332 VanDerWaalsContact OH-OE1 3.1Å; Y318-E332 PolarHBondContact OH-OE2 3.07Å
319	S	97.5	Very high	98	Very high	40 Å²	40	44 Å²	44	28%	0.28	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.9	-172.3	62.9	0	0	0	0	114.9	T280	T280-S319 PolarHBondContact N-O 3Å; T280-S319 VanDerWaalsContact N-O 3.13Å; T280-S319 WeakPolarHBondContact OG1-CB 3.48Å; T280-S319 PolarHBondContact OG1-O 3.14Å
320	K	96.1	Very high	97.9	Very high	191 Å²	191	46 Å²	46	83%	0.83	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-9.5	178.8	-66.1	-172.1	179	-178.2	0	114.5	Y318	Y318-K320 PolarHBondContact O-N 3.22Å
321	K	97	Very high	97.5	Very high	43 Å²	43	52.9 Å²	52.9	19%	0.187	27%	0.27	C	S	.	.	S	Bend	trans	-79.6	152.8	175	-75.7	174.2	166.2	-89	0	110.1	N272 Y273 G278 T279 Y318	N272-K321 PolarHBondContact O-NZ 3.35Å; N272-K321 PolarHBondContact OD1-NZ 3.03Å; N272-K321 VanDerWaalsContact OD1-NZ 3.11Å; Y273-K321 CarbonylContact O-C 3.59Å; Y273-K321 WeakPolarHBondContact O-CA 3.4Å; G278-K321 WeakPolarHBondContact CA-O 3.42Å; T279-K321 WeakPolarHBondContact CB-O 3.36Å; T279-K321 PolarHBondContact N-O 2.96Å; T279-K321 PolarHBondContact OG1-O 2.9Å; Y318-K321 HydrophobicContact CD1-CD 3.68Å; Y318-K321 HydrophobicContact CE1-CD 4.16Å; Y318-K321 HydrophobicContact CG-CD 4.46Å; Y318-K321 WeakPolarHBondContact O-CB 3.38Å; Y318-K321 PolarHBondContact O-N 3.43Å
322	D	97	Very high	96.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-56.9	144.8	169.7	177.9	-88.4	0	0	0	111.1	Y257 P268 Y273 G276 F277 S324 S325	Y257-D322 WeakPolarHBondContact CE1-OD1 3.39Å; Y257-D322 PolarHBondContact OH-OD2 3.07Å; P268-D322 HydrophobicContact CB-CB 3.59Å; P268-D322 HydrophobicContact CG-CB 3.89Å; Y273-D322 PolarHBondContact O-N 2.94Å; G276-D322 WeakPolarHBondContact CA-OD2 3.43Å; F277-D322 PolarHBondContact N-OD2 3.35Å; F277-D322 CarbonylContact O-C 3.55Å; F277-D322 WeakPolarHBondContact O-CA 3.25Å; D322-S324 PolarHBondContact O-N 3.34Å; D322-S324 VanDerWaalsContact O-N 3.13Å; D322-S324 WeakPolarHBondContact OD1-CB 3.46Å; D322-S324 PolarHBondContact OD1-N 2.92Å; D322-S324 PolarHBondContact OD1-OG 3.33Å; D322-S325 WeakPolarHBondContact O-CB 3.43Å; D322-S325 PolarHBondContact O-N 2.97Å; D322-S325 PolarHBondContact O-OG 3.34Å
323	F	98	Very high	94.2	Very high	3 Å²	3	55 Å²	55	1%	0.013	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.3	-21.2	-175.9	79.8	-70.7	0	0	0	114.5	L216 M220 W252 Y257 F277 M282 Y310 S325 V326	L216-F323 HydrophobicContact CD1-CE2 4.07Å; L216-F323 HydrophobicContact CD1-CZ 4.05Å; L216-F323 HydrophobicContact CD2-CE2 4.11Å; L216-F323 HydrophobicContact CD2-CZ 3.94Å; L216-F323 HydrophobicContact CG-CE2 3.86Å; L216-F323 HydrophobicContact CG-CZ 4.07Å; M220-F323 HydrophobicContact CB-CD2 4.23Å; M220-F323 HydrophobicContact CB-CE2 3.77Å; M220-F323 HydrophobicContact CE-CD2 4.49Å; M220-F323 HydrophobicContact CE-CE1 4.47Å; M220-F323 HydrophobicContact CE-CE2 3.6Å; M220-F323 HydrophobicContact CE-CZ 3.59Å; M220-F323 HydrophobicContact CG-CD2 3.87Å; M220-F323 HydrophobicContact CG-CE2 3.65Å; M220-F323 HydrophobicContact SD-CE2 4.46Å; W252-F323 HydrophobicContact CZ3-CZ 4.03Å; Y257-F323 HydrophobicContact CD1-CE1 4Å; Y257-F323 HydrophobicContact CD1-CZ 4.19Å; Y257-F323 HydrophobicContact CE1-CD1 4.37Å; Y257-F323 AromaticContact CE1-CE1 3.58Å; Y257-F323 HydrophobicContact CE1-CE1 3.58Å; Y257-F323 HydrophobicContact CE1-CZ 4.23Å; F277-F323 HydrophobicContact CB-CD1 3.91Å; F277-F323 HydrophobicContact CB-CE1 4.18Å; F277-F323 AromaticContact CD1-CD1 3.95Å; F277-F323 HydrophobicContact CD1-CD1 3.95Å; F277-F323 HydrophobicContact CD1-CE1 4.39Å; F277-F323 HydrophobicContact CD1-CG 4.27Å; F277-F323 HydrophobicContact CG-CD1 4.44Å; F277-F323 WeakPolarHBondContact O-CD1 3.44Å; F277-F323 PolarHBondContact O-N 3.03Å; M282-F323 HydrophobicContact CB-CB 3.84Å; M282-F323 HydrophobicContact CE-CB 4.41Å; M282-F323 HydrophobicContact CE-CD2 3.38Å; M282-F323 HydrophobicContact CE-CE2 3.69Å; M282-F323 HydrophobicContact CE-CG 3.89Å; M282-F323 HydrophobicContact CE-CZ 4.41Å; M282-F323 HydrophobicContact CG-CB 4.08Å; M282-F323 HydrophobicContact CG-CD2 4.43Å; Y310-F323 HydrophobicContact CE1-CB 3.77Å; Y310-F323 VanDerWaalsContact CE1-O 3.25Å; Y310-F323 WeakPolarHBondContact CE1-O 3.35Å; Y310-F323 WeakPolarHBondContact OH-CD2 3.29Å; Y310-F323 PolarHBondContact OH-O 3.23Å; F323-S325 PolarHBondContact O-N 3.38Å; F323-V326 PolarHBondContact O-N 3.06Å
324	S	98.3	Very high	92	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.8	-13.9	172.1	63.8	0	0	0	0	113.1	P259 Y273 D322 V326 F327	P259-S324 WeakPolarHBondContact CB-O 2.87Å; Y273-S324 WeakPolarHBondContact CD1-OG 3.31Å; D322-S324 PolarHBondContact O-N 3.34Å; D322-S324 VanDerWaalsContact O-N 3.13Å; D322-S324 WeakPolarHBondContact OD1-CB 3.46Å; D322-S324 PolarHBondContact OD1-N 2.92Å; D322-S324 PolarHBondContact OD1-OG 3.33Å; S324-V326 PolarHBondContact O-N 3.42Å; S324-F327 PolarHBondContact O-N 3.02Å
325	S	98.6	Very high	89.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-62.3	-4.1	172.3	64	0	0	0	0	114.4	Y273 M313 D322 F323 F327 Q328 F329	Y273-S325 VanDerWaalsContact CD1-CA 3.45Å; Y273-S325 VanDerWaalsContact CD1-N 3.35Å; M313-S325 WeakPolarHBondContact CE-OG 3.19Å; D322-S325 WeakPolarHBondContact O-CB 3.43Å; D322-S325 PolarHBondContact O-N 2.97Å; D322-S325 PolarHBondContact O-OG 3.34Å; F323-S325 PolarHBondContact O-N 3.38Å; S325-F327 PolarHBondContact O-N 3.23Å; S325-Q328 WeakPolarHBondContact O-CA 3.43Å; S325-Q328 VanDerWaalsContact O-CB 3.31Å; S325-Q328 WeakPolarHBondContact O-CB 3.43Å; S325-Q328 PolarHBondContact O-N 2.8Å; S325-F329 PolarHBondContact O-N 3.43Å
326	V	98.8	Very high	86.6	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-29.4	169.9	69.7	0	0	0	0	112.3	M220 I221 A224 I309 Y310 M313 F323 S324 F329 L330	M220-V326 HydrophobicContact CG-CG1 3.99Å; I221-V326 HydrophobicContact CG1-CG1 4.27Å; I221-V326 HydrophobicContact CG1-CG2 4Å; A224-V326 HydrophobicContact CB-CG1 3.93Å; I309-V326 HydrophobicContact CG2-CG2 3.79Å; Y310-V326 HydrophobicContact CE1-CB 4.28Å; M313-V326 HydrophobicContact CE-CB 3.83Å; M313-V326 HydrophobicContact CE-CG2 4.46Å; M313-V326 VanDerWaalsContact CE-N 3.32Å; M313-V326 HydrophobicContact SD-CB 3.62Å; M313-V326 HydrophobicContact SD-CG2 3.61Å; F323-V326 PolarHBondContact O-N 3.06Å; S324-V326 PolarHBondContact O-N 3.42Å; V326-F329 PolarHBondContact O-N 3Å; V326-L330 HydrophobicContact CG2-CD1 4.39Å; V326-L330 HydrophobicContact CG2-CG 4.43Å; V326-L330 WeakPolarHBondContact O-CB 3.35Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.5Å; V326-L330 PolarHBondContact O-N 3.1Å
327	F	98.8	Very high	86.1	Confident	6 Å²	6	71.8 Å²	71.8	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-42.8	169.7	173.3	-100.7	0	0	0	112.5	A224 M227 N228 I231 P259 V260 S324 S325 F329 L330 R331	A224-F327 HydrophobicContact CB-CB 3.79Å; A224-F327 HydrophobicContact CB-CD2 4.37Å; M227-F327 HydrophobicContact CB-CE2 4.4Å; N228-F327 HydrophobicContact CB-CD2 4.31Å; N228-F327 HydrophobicContact CB-CE2 3.96Å; I231-F327 HydrophobicContact CD1-CE2 4.1Å; I231-F327 HydrophobicContact CD1-CZ 3.85Å; P259-F327 HydrophobicContact CB-CB 3.78Å; P259-F327 HydrophobicContact CG-CB 4.27Å; V260-F327 HydrophobicContact CB-CE1 4.28Å; V260-F327 HydrophobicContact CB-CZ 4.33Å; V260-F327 HydrophobicContact CG1-CE1 3.99Å; V260-F327 HydrophobicContact CG1-CZ 3.92Å; V260-F327 HydrophobicContact CG2-CD1 4.24Å; V260-F327 HydrophobicContact CG2-CD2 3.92Å; V260-F327 HydrophobicContact CG2-CE1 4.05Å; V260-F327 HydrophobicContact CG2-CE2 3.7Å; V260-F327 HydrophobicContact CG2-CG 4.17Å; V260-F327 HydrophobicContact CG2-CZ 3.77Å; S324-F327 PolarHBondContact O-N 3.02Å; S325-F327 PolarHBondContact O-N 3.23Å; F327-F329 VanDerWaalsContact C-N 3.33Å; F327-L330 PolarHBondContact O-N 3.1Å; F327-R331 HydrophobicContact CE1-CG 4.27Å; F327-R331 HydrophobicContact CE2-CG 4.18Å; F327-R331 VanDerWaalsContact CZ-CD 3.43Å; F327-R331 HydrophobicContact CZ-CG 3.91Å; F327-R331 WeakPolarHBondContact O-CB 3.25Å; F327-R331 PolarHBondContact O-N 3.3Å
328	Q	98.4	Very high	85.5	Confident	55 Å²	55	72.2 Å²	72.2	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-44.3	174.5	-178.6	177.8	23.2	0	0	110.8	Y273 Y318 S325 L330 R331 E332	Y273-Q328 HydrophobicContact CE2-CB 3.75Å; Y273-Q328 HydrophobicContact CE2-CG 4.42Å; Y318-Q328 HydrophobicContact CE1-CB 4.08Å; Y318-Q328 HydrophobicContact CE1-CG 3.97Å; S325-Q328 WeakPolarHBondContact O-CA 3.43Å; S325-Q328 VanDerWaalsContact O-CB 3.31Å; S325-Q328 WeakPolarHBondContact O-CB 3.43Å; S325-Q328 PolarHBondContact O-N 2.8Å; Q328-L330 VanDerWaalsContact C-N 3.34Å; Q328-L330 PolarHBondContact O-N 3.1Å; Q328-R331 PolarHBondContact O-N 3.35Å; Q328-R331 VanDerWaalsContact O-N 3.14Å; Q328-E332 PolarHBondContact O-N 3.37Å; Q328-E332 VanDerWaalsContact O-N 3.07Å
329	F	98.1	Very high	84.8	Confident	39 Å²	39	75.8 Å²	75.8	17%	0.171	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-40.4	176.6	176.3	-114.3	0	0	0	113	I309 M312 M313 K316 Y318 S325 V326 F327 R331	I309-F329 HydrophobicContact CG2-CD1 4.47Å; I309-F329 HydrophobicContact CG2-CE1 4.39Å; M312-F329 HydrophobicContact CB-CZ 4.36Å; M313-F329 HydrophobicContact CG-CB 4.08Å; M313-F329 HydrophobicContact CG-CD1 3.69Å; M313-F329 HydrophobicContact CG-CD2 4.22Å; M313-F329 HydrophobicContact CG-CE1 4.17Å; M313-F329 HydrophobicContact CG-CG 3.71Å; M313-F329 HydrophobicContact SD-CB 4.44Å; M313-F329 HydrophobicContact SD-CD1 4.3Å; K316-F329 HydrophobicContact CD-CE2 3.59Å; K316-F329 HydrophobicContact CD-CZ 4.27Å; Y318-F329 HydrophobicContact CD2-CD2 4.47Å; Y318-F329 HydrophobicContact CE1-CB 4.25Å; Y318-F329 HydrophobicContact CE2-CB 4.31Å; Y318-F329 AromaticContact CE2-CD2 3.99Å; Y318-F329 HydrophobicContact CE2-CD2 3.99Å; S325-F329 PolarHBondContact O-N 3.43Å; V326-F329 PolarHBondContact O-N 3Å; F327-F329 VanDerWaalsContact C-N 3.33Å; F329-R331 VanDerWaalsContact C-N 3.32Å
330	L	97.1	Very high	84.1	Confident	57 Å²	57	77.9 Å²	77.9	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-75.5	-18.5	177	-68	173	0	0	0	113.8	A224 E225 N228 V326 F327 Q328	A224-L330 HydrophobicContact CB-CD1 3.94Å; E225-L330 HydrophobicContact CG-CD1 3.7Å; N228-L330 PolarHBondContact ND2-O 3.15Å; V326-L330 HydrophobicContact CG2-CD1 4.39Å; V326-L330 HydrophobicContact CG2-CG 4.43Å; V326-L330 WeakPolarHBondContact O-CB 3.35Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.5Å; V326-L330 PolarHBondContact O-N 3.1Å; F327-L330 PolarHBondContact O-N 3.1Å; Q328-L330 VanDerWaalsContact C-N 3.34Å; Q328-L330 PolarHBondContact O-N 3.1Å
331	R	90.8	Very high	83.3	Confident	145 Å²	145	70.9 Å²	70.9	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-92	-20.1	177.8	-101	-157.3	81.1	-144.7	6.1	114.1	N228 F327 Q328 F329 E333	N228-R331 VanDerWaalsContact OD1-CG 3.29Å; N228-R331 WeakPolarHBondContact OD1-CG 3.47Å; F327-R331 HydrophobicContact CE1-CG 4.27Å; F327-R331 HydrophobicContact CE2-CG 4.18Å; F327-R331 VanDerWaalsContact CZ-CD 3.43Å; F327-R331 HydrophobicContact CZ-CG 3.91Å; F327-R331 WeakPolarHBondContact O-CB 3.25Å; F327-R331 PolarHBondContact O-N 3.3Å; Q328-R331 PolarHBondContact O-N 3.35Å; Q328-R331 VanDerWaalsContact O-N 3.14Å; F329-R331 VanDerWaalsContact C-N 3.32Å; R331-E333 PolarHBondContact O-N 3.1Å
332	E	68.6	Low	82.4	Confident	119 Å²	119	72.7 Å²	72.7	56%	0.556	34%	0.342	S	S	*	.			trans	-57.4	111.4	180	-94.9	178.8	166.7	0	0	109.5	Y318 Q328	Y318-E332 PolarHBondContact OH-OE1 2.96Å; Y318-E332 VanDerWaalsContact OH-OE1 3.1Å; Y318-E332 PolarHBondContact OH-OE2 3.07Å; Q328-E332 PolarHBondContact O-N 3.37Å; Q328-E332 VanDerWaalsContact O-N 3.07Å
333	E	59.4	Low	81.4	Confident	143 Å²	143	77.9 Å²	77.9	67%	0.668	37%	0.366	S	S	*	.			trans	-77.7	126	172.2	-66	-177.6	162.9	0	0	107.4	R232 R331 T335	R232-E333 IonicContact NH1-OE1 2.73Å; R232-E333 PolarHBondContact NH1-OE1 3.48Å; R331-E333 PolarHBondContact O-N 3.1Å; E333-T335 PolarHBondContact O-N 3.01Å
334	E	50.9	Low	80.1	Confident	151 Å²	151	83.7 Å²	83.7	71%	0.706	39%	0.393	S	S	*	.			trans	-63.3	105.3	163.6	-88.3	176.8	144.3	0	0	107.7	F336	E334-F336 VanDerWaalsContact C-N 3.33Å; E334-F336 HydrophobicContact CB-CD2 3.73Å; E334-F336 HydrophobicContact CB-CE2 3.44Å; E334-F336 VanDerWaalsContact CB-CE2 3.44Å; E334-F336 HydrophobicContact CB-CZ 4Å; E334-F336 VanDerWaalsContact CD-CE2 3.42Å; E334-F336 HydrophobicContact CG-CE2 3.96Å; E334-F336 HydrophobicContact CG-CZ 4.03Å; E334-F336 PolarHBondContact O-N 3.13Å; E334-F336 VanDerWaalsContact O-N 3.13Å; E334-F336 WeakPolarHBondContact OE1-CZ 3.41Å; E334-F336 WeakPolarHBondContact OE2-CE2 3.07Å; E334-F336 WeakPolarHBondContact OE2-CZ 3.02Å
335	T	46.4	Very low	78.6	Confident	141 Å²	141	90.7 Å²	90.7	87%	0.865	43%	0.426	S	S	*	.			trans	-70	96.7	155.6	38.3	0	0	0	0	107.4	E333	E333-T335 PolarHBondContact O-N 3.01Å
336	F	37.3	Very low	76.8	Confident	232 Å²	232	98.9 Å²	98.9	100%	1.018	47%	0.465	S	S	*	.			trans	-83.8	0	161	-70	-72.4	0	0	0	110.6	E334	E334-F336 VanDerWaalsContact C-N 3.33Å; E334-F336 HydrophobicContact CB-CD2 3.73Å; E334-F336 HydrophobicContact CB-CE2 3.44Å; E334-F336 VanDerWaalsContact CB-CE2 3.44Å; E334-F336 HydrophobicContact CB-CZ 4Å; E334-F336 VanDerWaalsContact CD-CE2 3.42Å; E334-F336 HydrophobicContact CG-CE2 3.96Å; E334-F336 HydrophobicContact CG-CZ 4.03Å; E334-F336 PolarHBondContact O-N 3.13Å; E334-F336 VanDerWaalsContact O-N 3.13Å; E334-F336 WeakPolarHBondContact OE1-CZ 3.41Å; E334-F336 WeakPolarHBondContact OE2-CE2 3.07Å; E334-F336 WeakPolarHBondContact OE2-CZ 3.02Å

Retrieved 336 of 336 residues in 325.1 ms (Link to these results)

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