A0A061ILA3_CRIGR Loading...

Pyruvate dehydrogenase E1 component subunit alpha

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.

AlphaFold DB , UniProt , Accession A0A061ILA3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100772790, Length 392 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	34.9	Very low	28.3	Very low	237 Å²	237	157.5 Å²	157.5	100%	1.167	84%	0.84	S	S	*	*				0	101.2	0	-78	177.6	-97.3	0	0	107.4
2	R	28.6	Very low	28.2	Very low	238 Å²	238	153.8 Å²	153.8	90%	0.898	83%	0.827	S	S	*	*				55.9	103.5	107	-81.7	-174	177.8	-175.2	-0	113.8
3	K	29	Very low	28	Very low	196 Å²	196	155.9 Å²	155.9	85%	0.852	83%	0.825	S	S	*	*				52.6	140.4	123.6	-72.7	-174.3	172.5	-175.4	0	119.8
4	M	29.2	Very low	27.9	Very low	175 Å²	175	153.1 Å²	153.1	86%	0.862	82%	0.824	S	S	*	*			trans	93.8	104.5	157.7	-59.2	-178.9	90	0	0	116.1
5	L	30.4	Very low	27.8	Very low	180 Å²	180	158.1 Å²	158.1	94%	0.942	83%	0.826	S	S	*	*				-153.9	134.6	98.2	-122.3	89.6	0	0	0	109.5
6	A	27.9	Very low	27.9	Very low	89 Å²	89	153.6 Å²	153.6	74%	0.736	82%	0.819	S	S	*	*			trans	-115.6	143.5	179.5	0	0	0	0	0	109.4
7	A	29.1	Very low	28	Very low	95 Å²	95	150.9 Å²	150.9	79%	0.785	82%	0.816	S	S	*	*			trans	65.9	150.6	153	0	0	0	0	0	117.1
8	V	26.9	Very low	28.1	Very low	128 Å²	128	152.4 Å²	152.4	78%	0.776	82%	0.816	S	S	*	*			cis	-157.1	146.2	28.4	-174	0	0	0	0	105.8
9	V	26.4	Very low	28.4	Very low	132 Å²	132	154.8 Å²	154.8	80%	0.8	82%	0.819	S	S	*	*				167.4	112.6	96.5	171.1	0	0	0	0	104.1
10	S	24.6	Very low	28.4	Very low	86 Å²	86	156.3 Å²	156.3	60%	0.601	82%	0.818	S	S	*	*				81.1	131.5	67.3	-174.5	0	0	0	0	115.4
11	H	24.8	Very low	28.7	Very low	176 Å²	176	154.9 Å²	154.9	82%	0.815	82%	0.818	S	S	*	*			trans	84.4	121.1	173.2	-61.3	-2.7	0	0	0	113.9
12	V	26.5	Very low	28.8	Very low	114 Å²	114	147.8 Å²	147.8	69%	0.691	80%	0.797	S	S	*	*	S	Bend		-155.2	152.8	58.1	-172.8	0	0	0	0	111.2
13	F	26.1	Very low	29.6	Very low	181 Å²	181	144 Å²	144	79%	0.794	79%	0.794	S	S	*	*			trans	95.3	59.3	169.9	-59.1	-65.9	0	0	0	118.8	R15	F13-R15 PolarHBondContact O-N 3.21Å
14	S	25.8	Very low	30.2	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	80%	0.799	S	S	*	*			trans	-66.2	109.8	132.3	161.2	0	0	0	0	109.5
15	R	26.4	Very low	30.6	Very low	228 Å²	228	141 Å²	141	86%	0.86	79%	0.785	S	S	*	*			trans	-124.7	99.7	149	-105.3	-175.1	178.6	-176.5	0.3	107.7	F13 S17	F13-R15 PolarHBondContact O-N 3.21Å; R15-S17 PolarHBondContact O-N 2.86Å; R15-S17 VanDerWaalsContact O-N 3.15Å
16	A	30.3	Very low	31.1	Very low	87 Å²	87	140.1 Å²	140.1	72%	0.719	78%	0.78	S	S	*	*			trans	-52.4	111.8	165.6	0	0	0	0	0	109.8	Q18	A16-Q18 PolarHBondContact O-N 3.39Å
17	S	29.4	Very low	32.1	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	77%	0.765	S	S	*	*			trans	-82.8	99.5	149.7	68.9	0	0	0	0	106.2	R15 K19	R15-S17 PolarHBondContact O-N 2.86Å; R15-S17 VanDerWaalsContact O-N 3.15Å; S17-K19 PolarHBondContact O-N 3.41Å
18	Q	29.1	Very low	33.1	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	77%	0.765	S	S	*	*			trans	-48.4	109.1	160.1	-74.9	172.5	-21.3	0	0	107.5	A16 K20	A16-Q18 PolarHBondContact O-N 3.39Å; Q18-K20 VanDerWaalsContact C-N 3.29Å; Q18-K20 PolarHBondContact O-N 3.17Å
19	K	33.7	Very low	34.1	Very low	199 Å²	199	139.1 Å²	139.1	87%	0.865	77%	0.767	S	S	*	*			trans	-62.2	99.5	163.2	-76.8	-177.3	176.8	179.7	0	105.7	S17	S17-K19 PolarHBondContact O-N 3.41Å
20	K	29	Very low	35.8	Very low	183 Å²	183	138 Å²	138	80%	0.796	75%	0.753	S	S	*	*			trans	-55.4	131.6	159.8	-78.6	-175.8	175.3	-178.2	0	106.5	Q18 A22	Q18-K20 VanDerWaalsContact C-N 3.29Å; Q18-K20 PolarHBondContact O-N 3.17Å; K20-A22 VanDerWaalsContact C-N 3.34Å; K20-A22 PolarHBondContact O-N 3.37Å
21	P	34.3	Very low	38.8	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	76%	0.764	S	S	*	*			trans	-64.9	104.2	167.8	27.3	-28.4	0	0	0	105.8	L23	P21-L23 VanDerWaalsContact C-N 3.32Å; P21-L23 PolarHBondContact O-N 3.09Å
22	A	38.5	Very low	42.2	Very low	88 Å²	88	134.8 Å²	134.8	73%	0.727	73%	0.733	S	S	*	*			trans	-66.3	99.7	171.1	0	0	0	0	0	106.9	K20 R24	K20-A22 VanDerWaalsContact C-N 3.34Å; K20-A22 PolarHBondContact O-N 3.37Å; A22-R24 PolarHBondContact O-N 3.31Å
23	L	44.3	Very low	45.5	Very low	158 Å²	158	131.2 Å²	131.2	83%	0.827	71%	0.714	S	S	*	*	S	Bend	trans	32.4	41.4	148.5	-125.3	86.4	0	0	0	117.9	P21 G25	P21-L23 VanDerWaalsContact C-N 3.32Å; P21-L23 PolarHBondContact O-N 3.09Å; L23-G25 PolarHBondContact O-N 3.33Å
24	R	40.6	Very low	48.9	Very low	253 Å²	253	129 Å²	129	96%	0.955	71%	0.71	S	S	*	*			trans	-75.6	4.8	170.6	-121.9	179.9	-179	-173.6	-1	112.9	A22	A22-R24 PolarHBondContact O-N 3.31Å
25	G	39.5	Very low	52.3	Low	57 Å²	57	127.4 Å²	127.4	59%	0.588	69%	0.692	S	S	*	*			trans	-118.8	75.1	-174	0	0	0	0	0	111.7	L23	L23-G25 PolarHBondContact O-N 3.33Å
26	L	40.4	Very low	55.7	Low	160 Å²	160	116.7 Å²	116.7	84%	0.838	65%	0.653	S	S	*	*	S	Bend	trans	-168.9	12.1	153.7	-108.1	145.3	0	0	0	114.4
27	L	48.2	Very low	58.8	Low	80 Å²	80	117.3 Å²	117.3	42%	0.419	65%	0.649	S	S	.	*			trans	-104.7	13.2	167.3	-74.7	168.2	0	0	0	112.9	S29	L27-S29 PolarHBondContact O-N 2.93Å; L27-S29 VanDerWaalsContact O-N 3.1Å
28	A	49.4	Very low	62.1	Low	94 Å²	94	112.4 Å²	112.4	78%	0.777	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	83.7	174.8	0	0	0	0	0	110.3
29	S	49.4	Very low	65.3	Low	117 Å²	117	111.3 Å²	111.3	82%	0.818	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	166.7	27.7	144.6	72.1	0	0	0	0	114.9	L27	L27-S29 PolarHBondContact O-N 2.93Å; L27-S29 VanDerWaalsContact O-N 3.1Å
30	Q	62	Low	68.4	Low	109 Å²	109	102.6 Å²	102.6	51%	0.509	57%	0.573	S	S	.	*			trans	-105.8	115.5	168.6	-81.5	-173.8	-6.8	0	0	110.6	F32 N333	Q30-F32 HydrophobicContact CB-CE1 4.32Å; Q30-F32 HydrophobicContact CB-CE2 4.11Å; Q30-F32 HydrophobicContact CB-CZ 3.99Å; Q30-F32 PolarHBondContact O-N 3.13Å; Q30-N333 PolarHBondContact OE1-ND2 3.26Å
31	N	87.1	Confident	71.7	Confident	156 Å²	156	99.9 Å²	99.9	83%	0.834	56%	0.561	S	S	*	*			trans	-74.1	91.7	170.5	-74.7	-15.5	0	0	0	108.4	N330	N31-N330 PolarHBondContact O-ND2 3.04Å
32	F	96	Very high	74.7	Confident	38 Å²	38	101.2 Å²	101.2	17%	0.167	55%	0.553	C	S	.	*			trans	-74.7	149.9	170.5	-64.8	-64.4	0	0	0	111.2	Q30 R60 N330 S332 N333	Q30-F32 HydrophobicContact CB-CE1 4.32Å; Q30-F32 HydrophobicContact CB-CE2 4.11Å; Q30-F32 HydrophobicContact CB-CZ 3.99Å; Q30-F32 PolarHBondContact O-N 3.13Å; F32-R60 VanDerWaalsContact CG-NH1 3.3Å; F32-N330 CarbonylContact C-O 3.54Å; F32-N330 WeakPolarHBondContact CA-O 3.45Å; F32-N330 WeakPolarHBondContact CD1-O 3.24Å; F32-S332 VanDerWaalsContact CE1-C 3.49Å; F32-N333 HydrophobicContact CE1-CB 3.94Å; F32-N333 HydrophobicContact CZ-CB 4.02Å; F32-N333 WeakPolarHBondContact CZ-ND2 3.39Å
33	S	96.1	Very high	77.6	Confident	40 Å²	40	97.5 Å²	97.5	28%	0.28	52%	0.522	S	S	.	.			trans	-64.9	140.1	168.7	-54.4	0	0	0	0	109.7	D35 N329 N330	S33-D35 VanDerWaalsContact C-N 3.35Å; S33-N329 PolarHBondContact OG-O 3.08Å; S33-N330 PolarHBondContact N-O 2.92Å
34	N	97.1	Very high	80.2	Confident	133 Å²	133	93.4 Å²	93.4	71%	0.711	50%	0.501	S	S	*	.	S	Bend	trans	-73.6	-32	174.7	-71.4	-31.7	0	0	0	111.9	T59 R60	N34-T59 CarbonylContact O-C 3.6Å; N34-T59 WeakPolarHBondContact O-CA 3.43Å; N34-R60 PolarHBondContact O-N 3Å
35	D	97.6	Very high	83	Confident	83 Å²	83	83.8 Å²	83.8	44%	0.444	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	165.2	179.5	64.4	90.3	0	0	0	110.9	S33 V57 L58 T59	S33-D35 VanDerWaalsContact C-N 3.35Å; D35-V57 HydrophobicContact CB-CG1 3.71Å; D35-L58 CarbonylContact C-O 3.51Å; D35-L58 VanDerWaalsContact CA-O 3.26Å; D35-L58 WeakPolarHBondContact CA-O 3.41Å; D35-T59 HydrophobicContact CB-CG2 4.26Å
36	A	97	Very high	85.8	Confident	4 Å²	4	83.4 Å²	83.4	3%	0.033	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	137.4	175.4	0	0	0	0	0	111.8	L58 N329 L331	A36-L58 PolarHBondContact N-O 3.3Å; A36-L58 PolarHBondContact O-N 3.45Å; A36-N329 HydrophobicContact CB-CB 3.54Å; A36-L331 HydrophobicContact CB-CD1 4.02Å; A36-L331 HydrophobicContact CB-CD2 4.17Å; A36-L331 HydrophobicContact CB-CG 4.14Å
37	P	97	Very high	88.6	Confident	99 Å²	99	83.5 Å²	83.5	64%	0.643	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.6	168.3	30.3	-33.3	0	0	0	109.9
38	C	96.9	Very high	91	Very high	6 Å²	6	81.2 Å²	81.2	4%	0.041	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.6	-177.2	-63.6	0	0	0	0	109.8	T55 T56 L262	C38-T55 CarbonylContact O-C 3.48Å; C38-T55 WeakPolarHBondContact O-CA 3.38Å; C38-T56 HydrophobicContact CB-CG2 4.33Å; C38-T56 PolarHBondContact N-O 2.71Å; C38-T56 PolarHBondContact O-N 3.05Å; C38-L262 HydrophobicContact CB-CD1 3.67Å
39	H	97.7	Very high	93.3	Very high	154 Å²	154	86.2 Å²	86.2	71%	0.713	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.1	168.2	-66.2	-76.1	0	0	0	110.2	T55	H39-T55 WeakPolarHBondContact ND1-CG2 3.5Å
40	I	98.2	Very high	95.6	Very high	16 Å²	16	88.2 Å²	88.2	8%	0.082	43%	0.431	C	S	.	.			trans	-127.4	152.5	178.2	55	172.9	0	0	0	110.4	K42 P53 T54 T56 L262 E266	I40-K42 PolarHBondContact O-N 2.61Å; I40-P53 VanDerWaalsContact CD1-O 3.31Å; I40-P53 WeakPolarHBondContact CD1-O 3.42Å; I40-T54 PolarHBondContact N-O 3.25Å; I40-T56 HydrophobicContact CD1-CG2 4.3Å; I40-T56 HydrophobicContact CG2-CG2 4.23Å; I40-L262 HydrophobicContact CG2-CB 3.65Å; I40-E266 HydrophobicContact CD1-CB 3.7Å; I40-E266 HydrophobicContact CD1-CG 3.6Å
41	K	98.1	Very high	97.3	Very high	125 Å²	125	84.3 Å²	84.3	54%	0.543	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-65.2	130.9	-176	-171.7	-179.3	176.9	-174.2	0	110	C43 N257 C263	K41-C43 PolarHBondContact O-N 3.3Å; K41-N257 HydrophobicContact CD-CB 4.31Å; K41-C263 PolarHBondContact N-SG 2.93Å
42	K	98.6	Very high	97.8	Very high	155 Å²	155	77.5 Å²	77.5	67%	0.674	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-59	134.9	171.8	-172.3	176.7	179	178.5	0	110	I40 T54	I40-K42 PolarHBondContact O-N 2.61Å; K42-T54 HydrophobicContact CB-CG2 3.81Å; K42-T54 HydrophobicContact CG-CG2 4.07Å
43	C	98.8	Very high	97.9	Very high	11 Å²	11	78.9 Å²	78.9	7%	0.074	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-76.8	143.9	175.3	-63.7	0	0	0	0	110.9	K41 L45 L254 R255	K41-C43 PolarHBondContact O-N 3.3Å; C43-L45 HydrophobicContact CB-CD2 4.09Å; C43-L254 HydrophobicContact CB-CB 4.23Å; C43-L254 HydrophobicContact CB-CD1 4.41Å; C43-R255 VanDerWaalsContact CA-O 3.27Å; C43-R255 WeakPolarHBondContact CA-O 3.48Å; C43-R255 VanDerWaalsContact CB-O 3.3Å; C43-R255 WeakPolarHBondContact CB-O 3.38Å
44	D	98.7	Very high	98.1	Very high	71 Å²	71	80.1 Å²	80.1	38%	0.38	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.7	165.5	-55.6	-52.6	0	0	0	108.4	L254 R255	D44-L254 CarbonylContact O-C 2.87Å; D44-L254 VanDerWaalsContact O-CA 3.25Å; D44-L254 WeakPolarHBondContact O-CA 3.4Å; D44-R255 HydrophobicContact CB-CB 4.11Å; D44-R255 PolarHBondContact N-O 2.88Å; D44-R255 PolarHBondContact O-N 3.26Å; D44-R255 IonicContact OD2-CZ 2.99Å; D44-R255 IonicContact OD2-NE 2.63Å; D44-R255 PolarHBondContact OD2-NE 2.81Å; D44-R255 IonicContact OD2-NH2 3.87Å; D44-R255 PolarHBondContact OD2-NH2 3.18Å
45	L	98.8	Very high	98.1	Very high	51 Å²	51	77.3 Å²	77.3	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.3	-171.1	-55.8	-176.5	0	0	0	111.5	C43 L48 L254	C43-L45 HydrophobicContact CB-CD2 4.09Å; L45-L48 HydrophobicContact CB-CB 4.28Å; L45-L48 HydrophobicContact CD1-CB 4.36Å; L45-L48 HydrophobicContact CD2-CD1 4.34Å; L45-L254 HydrophobicContact CD2-CB 4.02Å
46	Y	98.8	Very high	98.2	Very high	50 Å²	50	74.3 Å²	74.3	20%	0.196	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.7	172.3	-179.3	-112.7	0	0	0	109.8	L48 K246 N249 P252 G253	Y46-L48 PolarHBondContact O-N 2.9Å; Y46-K246 HydrophobicContact CD1-CB 4.22Å; Y46-K246 HydrophobicContact CD1-CG 4.26Å; Y46-K246 HydrophobicContact CD2-CB 4.25Å; Y46-K246 HydrophobicContact CD2-CD 3.88Å; Y46-K246 HydrophobicContact CD2-CG 3.75Å; Y46-K246 HydrophobicContact CE1-CB 4.34Å; Y46-K246 HydrophobicContact CE2-CB 4.38Å; Y46-K246 HydrophobicContact CE2-CD 4.29Å; Y46-K246 HydrophobicContact CE2-CG 4.31Å; Y46-K246 HydrophobicContact CG-CB 4.16Å; Y46-K246 HydrophobicContact CG-CD 4.36Å; Y46-K246 HydrophobicContact CG-CG 3.73Å; Y46-N249 WeakPolarHBondContact CE1-O 3.5Å; Y46-N249 PolarHBondContact OH-O 2.85Å; Y46-P252 CarbonylContact O-C 3.54Å; Y46-P252 VanDerWaalsContact O-CA 3.31Å; Y46-P252 WeakPolarHBondContact O-CA 3.34Å; Y46-G253 PolarHBondContact N-O 3.15Å; Y46-G253 PolarHBondContact O-N 3Å
47	R	98.6	Very high	98.2	Very high	162 Å²	162	77.7 Å²	77.7	61%	0.611	40%	0.395	S	S	*	.	S	Bend	trans	54.6	34.4	-176.3	-56	-177.1	175.2	-82	4.4	114	N249 P252	R47-N249 WeakPolarHBondContact CD-O 3.32Å; R47-N249 PolarHBondContact NE-O 3.23Å; R47-P252 HydrophobicContact CB-CB 4.28Å
48	L	98.6	Very high	98.3	Very high	31 Å²	31	73 Å²	73	16%	0.162	36%	0.364	C	S	.	.			trans	-128.7	132.2	172	-67	167.7	0	0	0	108.1	L45 Y46 P252 L254 F270 Y274 I282	L45-L48 HydrophobicContact CB-CB 4.28Å; L45-L48 HydrophobicContact CD1-CB 4.36Å; L45-L48 HydrophobicContact CD2-CD1 4.34Å; Y46-L48 PolarHBondContact O-N 2.9Å; L48-P252 HydrophobicContact CD1-CB 4.43Å; L48-P252 HydrophobicContact CD2-CB 3.76Å; L48-P252 HydrophobicContact CD2-CG 4.42Å; L48-P252 HydrophobicContact CG-CB 3.81Å; L48-L254 HydrophobicContact CD1-CD2 4.21Å; L48-F270 HydrophobicContact CD1-CE1 4.12Å; L48-F270 HydrophobicContact CD1-CZ 4.44Å; L48-Y274 HydrophobicContact CD2-CE2 4.16Å; L48-I282 HydrophobicContact CD1-CD1 4.19Å
49	E	97.8	Very high	98.4	Very high	199 Å²	199	75 Å²	75	93%	0.93	38%	0.376	S	S	*	.	S	Bend	trans	-74.8	-40.8	174.2	-65.1	-179.6	170.5	0	0	110.8
50	E	97.6	Very high	98.4	Very high	160 Å²	160	69.9 Å²	69.9	75%	0.748	35%	0.351	S	S	*	.	S	Bend	trans	-126.3	149.7	178.8	-63.1	-175	175	0	0	110.9	F270	E50-F270 WeakPolarHBondContact O-CZ 3.47Å
51	G	98.2	Very high	98.4	Very high	26 Å²	26	76.8 Å²	76.8	27%	0.268	38%	0.383	S	S	.	.			trans	-119.4	-169.5	180	0	0	0	0	0	112.5
52	P	98.5	Very high	98.4	Very high	14 Å²	14	73 Å²	73	9%	0.091	37%	0.367	C	S	.	.	S	Bend	trans	-56.5	152.4	171	-19.3	30.5	0	0	0	111.5	L254 A267 F270	P52-L254 HydrophobicContact CG-CD1 3.8Å; P52-A267 HydrophobicContact CG-CB 4.17Å; P52-F270 HydrophobicContact CB-CB 4.12Å; P52-F270 HydrophobicContact CB-CG 4.41Å; P52-F270 HydrophobicContact CG-CB 3.81Å; P52-F270 HydrophobicContact CG-CD1 4.08Å; P52-F270 HydrophobicContact CG-CD2 4.4Å; P52-F270 HydrophobicContact CG-CG 3.85Å
53	P	98.3	Very high	98.5	Very high	66 Å²	66	65.7 Å²	65.7	43%	0.429	34%	0.335	S	S	.	.			trans	-61.5	154.6	177.5	29	-36.2	0	0	0	111.3	I40	I40-P53 VanDerWaalsContact CD1-O 3.31Å; I40-P53 WeakPolarHBondContact CD1-O 3.42Å
54	T	98.4	Very high	98.5	Very high	66 Å²	66	66.8 Å²	66.8	41%	0.405	34%	0.34	S	S	.	.	S	Bend	trans	-93.8	0.1	176	54.4	0	0	0	0	113	I40 K42	I40-T54 PolarHBondContact N-O 3.25Å; K42-T54 HydrophobicContact CB-CG2 3.81Å; K42-T54 HydrophobicContact CG-CG2 4.07Å
55	T	98.2	Very high	98.5	Very high	75 Å²	75	70.5 Å²	70.5	46%	0.46	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.7	174	53.5	0	0	0	0	109.5	C38 H39	C38-T55 CarbonylContact O-C 3.48Å; C38-T55 WeakPolarHBondContact O-CA 3.38Å; H39-T55 WeakPolarHBondContact ND1-CG2 3.5Å
56	T	98.5	Very high	98.5	Very high	19 Å²	19	68.8 Å²	68.8	12%	0.117	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.8	174.5	-173.3	0	0	0	0	110.6	C38 I40 L262 R265 E266	C38-T56 HydrophobicContact CB-CG2 4.33Å; C38-T56 PolarHBondContact N-O 2.71Å; C38-T56 PolarHBondContact O-N 3.05Å; I40-T56 HydrophobicContact CD1-CG2 4.3Å; I40-T56 HydrophobicContact CG2-CG2 4.23Å; T56-L262 HydrophobicContact CG2-CB 4.17Å; T56-L262 HydrophobicContact CG2-CD1 3.98Å; T56-R265 PolarHBondContact OG1-NH2 3.37Å; T56-E266 HydrophobicContact CG2-CG 4.01Å; T56-E266 VanDerWaalsContact OG1-CD 3.3Å; T56-E266 PolarHBondContact OG1-OE1 2.94Å; T56-E266 VanDerWaalsContact OG1-OE1 3.13Å
57	V	98.4	Very high	98.5	Very high	75 Å²	75	66.6 Å²	66.6	46%	0.455	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.2	169.9	-178.4	0	0	0	0	109.3	D35 R265	D35-V57 HydrophobicContact CB-CG1 3.71Å; V57-R265 PolarHBondContact O-NH2 2.85Å
58	L	98.6	Very high	98.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117	169.4	173.7	60.5	0	0	0	108.2	D35 A36 E62 A63 Y66 L262 L322 L331	D35-L58 CarbonylContact C-O 3.51Å; D35-L58 VanDerWaalsContact CA-O 3.26Å; D35-L58 WeakPolarHBondContact CA-O 3.41Å; A36-L58 PolarHBondContact N-O 3.3Å; A36-L58 PolarHBondContact O-N 3.45Å; L58-E62 HydrophobicContact CD1-CB 3.81Å; L58-A63 HydrophobicContact CD1-CB 3.94Å; L58-A63 HydrophobicContact CD2-CB 3.83Å; L58-A63 HydrophobicContact CG-CB 3.89Å; L58-Y66 HydrophobicContact CD1-CD2 4.21Å; L58-Y66 HydrophobicContact CD1-CE2 4.12Å; L58-L262 HydrophobicContact CB-CD1 4.14Å; L58-L262 HydrophobicContact CD1-CD2 4.02Å; L58-L262 HydrophobicContact CD2-CD1 4.15Å; L58-L262 HydrophobicContact CD2-CD2 4.4Å; L58-L322 HydrophobicContact CD2-CD1 3.98Å; L58-L331 HydrophobicContact CD2-CD1 3.93Å; L58-L331 HydrophobicContact CG-CD1 4.04Å
59	T	98.7	Very high	98.5	Very high	48 Å²	48	61.9 Å²	61.9	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	155.4	173.3	77	0	0	0	0	110.7	N34 D35 E61 E62 A63	N34-T59 CarbonylContact O-C 3.6Å; N34-T59 WeakPolarHBondContact O-CA 3.43Å; D35-T59 HydrophobicContact CB-CG2 4.26Å; T59-E61 VanDerWaalsContact C-N 3.29Å; T59-E61 PolarHBondContact O-N 2.9Å; T59-E62 PolarHBondContact N-OE2 3.36Å; T59-E62 PolarHBondContact O-N 3.07Å; T59-E62 WeakPolarHBondContact OG1-CB 3.46Å; T59-E62 VanDerWaalsContact OG1-CG 3.31Å; T59-E62 WeakPolarHBondContact OG1-CG 3.35Å; T59-E62 PolarHBondContact OG1-N 2.94Å; T59-E62 VanDerWaalsContact OG1-N 3.15Å; T59-A63 WeakPolarHBondContact O-CB 3.28Å; T59-A63 PolarHBondContact O-N 3.41Å
60	R	98.3	Very high	98.6	Very high	47 Å²	47	52.4 Å²	52.4	18%	0.177	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-41.5	174.8	168.5	168.5	167.1	86.7	0.9	111.9	F32 N34 A63 L64 L331 E336	F32-R60 VanDerWaalsContact CG-NH1 3.3Å; N34-R60 PolarHBondContact O-N 3Å; R60-A63 PolarHBondContact O-N 2.83Å; R60-L64 HydrophobicContact CG-CD1 3.91Å; R60-L64 HydrophobicContact CG-CG 4.49Å; R60-L64 WeakPolarHBondContact O-CG 3.26Å; R60-L64 PolarHBondContact O-N 3.43Å; R60-L331 HydrophobicContact CB-CD2 4.09Å; R60-L331 VanDerWaalsContact CD-O 3.31Å; R60-L331 WeakPolarHBondContact CD-O 3.39Å; R60-L331 VanDerWaalsContact CG-O 3.28Å; R60-L331 WeakPolarHBondContact CG-O 3.36Å; R60-L331 PolarHBondContact NH1-O 3.11Å; R60-E336 IonicContact CZ-OE1 2.77Å; R60-E336 IonicContact CZ-OE2 2.68Å; R60-E336 VanDerWaalsContact CZ-OE2 3.25Å; R60-E336 IonicContact NH1-OE1 3.86Å; R60-E336 IonicContact NH1-OE2 2.92Å; R60-E336 PolarHBondContact NH1-OE2 2.94Å; R60-E336 IonicContact NH2-OE1 3.96Å; R60-E336 PolarHBondContact NH2-OE1 3.48Å; R60-E336 IonicContact NH2-OE2 2.87Å; R60-E336 PolarHBondContact NH2-OE2 3.42Å
61	E	98.5	Very high	98.6	Very high	161 Å²	161	46 Å²	46	75%	0.752	24%	0.244	S	C	*	.	H	α-helix	trans	-61.1	-49.1	177.5	-175.2	-174.7	168.8	0	0	111.6	T59 A63 L64 K65	T59-E61 VanDerWaalsContact C-N 3.29Å; T59-E61 PolarHBondContact O-N 2.9Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.81Å; E61-L64 PolarHBondContact O-N 3.46Å; E61-K65 WeakPolarHBondContact O-CB 3.49Å; E61-K65 PolarHBondContact O-N 3.31Å
62	E	98.5	Very high	98.7	Very high	47 Å²	47	44.8 Å²	44.8	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-45.9	175.1	-78.3	-171.1	116.1	0	0	111.4	L58 T59 L64 K65 Y66 R265	L58-E62 HydrophobicContact CD1-CB 3.81Å; T59-E62 PolarHBondContact N-OE2 3.36Å; T59-E62 PolarHBondContact O-N 3.07Å; T59-E62 WeakPolarHBondContact OG1-CB 3.46Å; T59-E62 VanDerWaalsContact OG1-CG 3.31Å; T59-E62 WeakPolarHBondContact OG1-CG 3.35Å; T59-E62 PolarHBondContact OG1-N 2.94Å; T59-E62 VanDerWaalsContact OG1-N 3.15Å; E62-L64 PolarHBondContact O-N 3.28Å; E62-K65 WeakPolarHBondContact O-CB 3.4Å; E62-K65 PolarHBondContact O-N 2.73Å; E62-Y66 HydrophobicContact CB-CD2 4.28Å; E62-Y66 HydrophobicContact CB-CE2 3.64Å; E62-Y66 HydrophobicContact CG-CE2 4.22Å; E62-Y66 WeakPolarHBondContact O-CB 3.31Å; E62-Y66 WeakPolarHBondContact O-CD2 3.13Å; E62-Y66 PolarHBondContact O-N 2.97Å; E62-Y66 PolarHBondContact OE1-OH 3.3Å; E62-R265 IonicContact OE1-CZ 3.19Å; E62-R265 IonicContact OE1-NH1 3Å; E62-R265 PolarHBondContact OE1-NH1 2.76Å; E62-R265 IonicContact OE2-NH1 2.64Å; E62-R265 PolarHBondContact OE2-NH1 2.99Å
63	A	98.7	Very high	98.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-47.7	-177.6	0	0	0	0	0	112.2	L58 T59 R60 E61 K65 Y66 Y67 M326 L331	L58-A63 HydrophobicContact CD1-CB 3.94Å; L58-A63 HydrophobicContact CD2-CB 3.83Å; L58-A63 HydrophobicContact CG-CB 3.89Å; T59-A63 WeakPolarHBondContact O-CB 3.28Å; T59-A63 PolarHBondContact O-N 3.41Å; R60-A63 PolarHBondContact O-N 2.83Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.81Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-K65 PolarHBondContact O-N 3.08Å; A63-Y66 PolarHBondContact O-N 2.75Å; A63-Y67 VanDerWaalsContact O-CB 3.27Å; A63-Y67 WeakPolarHBondContact O-CB 3.42Å; A63-Y67 PolarHBondContact O-N 3.32Å; A63-M326 HydrophobicContact CB-CE 3.68Å; A63-M326 HydrophobicContact CB-CG 3.81Å; A63-M326 HydrophobicContact CB-SD 3.88Å; A63-L331 HydrophobicContact CB-CD1 4.4Å
64	L	98.8	Very high	98.7	Very high	35 Å²	35	42.3 Å²	42.3	18%	0.183	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-40.5	177	-67.8	167.3	0	0	0	111.3	R60 E61 E62 R68 M326 E336 L337 I340	R60-L64 HydrophobicContact CG-CD1 3.91Å; R60-L64 HydrophobicContact CG-CG 4.49Å; R60-L64 WeakPolarHBondContact O-CG 3.26Å; R60-L64 PolarHBondContact O-N 3.43Å; E61-L64 PolarHBondContact O-N 3.46Å; E62-L64 PolarHBondContact O-N 3.28Å; L64-R68 WeakPolarHBondContact O-CB 3.33Å; L64-R68 PolarHBondContact O-N 3.03Å; L64-M326 HydrophobicContact CD2-CE 3.74Å; L64-M326 HydrophobicContact CG-CE 4.08Å; L64-E336 HydrophobicContact CD2-CG 4.26Å; L64-L337 HydrophobicContact CD2-CD2 4.26Å; L64-I340 HydrophobicContact CD2-CD1 3.75Å
65	K	98.9	Very high	98.7	Very high	148 Å²	148	42.7 Å²	42.7	64%	0.643	21%	0.205	S	C	*	.	H	α-helix	trans	-62.1	-48.9	175.8	-179.6	-178.3	176.1	-176.2	0	111.8	E61 E62 A63 A69	E61-K65 WeakPolarHBondContact O-CB 3.49Å; E61-K65 PolarHBondContact O-N 3.31Å; E62-K65 WeakPolarHBondContact O-CB 3.4Å; E62-K65 PolarHBondContact O-N 2.73Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-K65 PolarHBondContact O-N 3.08Å; K65-A69 WeakPolarHBondContact O-CB 3.48Å; K65-A69 PolarHBondContact O-N 3.43Å
66	Y	98.9	Very high	98.8	Very high	15 Å²	15	39.1 Å²	39.1	6%	0.059	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-42.1	-179.6	-58.6	-29.4	0	0	0	111.7	L58 E62 A63 A69 M70 V104 A108 I261	L58-Y66 HydrophobicContact CD1-CD2 4.21Å; L58-Y66 HydrophobicContact CD1-CE2 4.12Å; E62-Y66 HydrophobicContact CB-CD2 4.28Å; E62-Y66 HydrophobicContact CB-CE2 3.64Å; E62-Y66 HydrophobicContact CG-CE2 4.22Å; E62-Y66 WeakPolarHBondContact O-CB 3.31Å; E62-Y66 WeakPolarHBondContact O-CD2 3.13Å; E62-Y66 PolarHBondContact O-N 2.97Å; E62-Y66 PolarHBondContact OE1-OH 3.3Å; A63-Y66 PolarHBondContact O-N 2.75Å; Y66-A69 PolarHBondContact O-N 3.33Å; Y66-M70 WeakPolarHBondContact O-CG 3.46Å; Y66-M70 PolarHBondContact O-N 2.99Å; Y66-V104 HydrophobicContact CD1-CG1 3.94Å; Y66-V104 HydrophobicContact CG-CG1 4.36Å; Y66-A108 HydrophobicContact CD1-CB 4.33Å; Y66-A108 HydrophobicContact CE1-CB 3.51Å; Y66-I261 HydrophobicContact CD2-CG1 4.42Å; Y66-I261 HydrophobicContact CG-CG1 4.43Å
67	Y	98.9	Very high	98.8	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-51.1	176.3	-175.9	-98.9	0	0	0	111.1	A63 A69 M70 Q71 I319 L322 R323 M326 L337 I340 D341	A63-Y67 VanDerWaalsContact O-CB 3.27Å; A63-Y67 WeakPolarHBondContact O-CB 3.42Å; A63-Y67 PolarHBondContact O-N 3.32Å; Y67-A69 PolarHBondContact O-N 2.83Å; Y67-M70 PolarHBondContact O-N 2.76Å; Y67-Q71 WeakPolarHBondContact O-CB 3.42Å; Y67-Q71 PolarHBondContact O-N 2.93Å; Y67-I319 HydrophobicContact CD2-CG2 4.15Å; Y67-I319 HydrophobicContact CE2-CG2 3.53Å; Y67-L322 HydrophobicContact CD2-CD2 4.48Å; Y67-R323 HydrophobicContact CE2-CB 3.95Å; Y67-M326 HydrophobicContact CD2-SD 4.42Å; Y67-M326 HydrophobicContact CG-SD 4.37Å; Y67-L337 HydrophobicContact CD1-CD2 3.65Å; Y67-L337 HydrophobicContact CD2-CD2 4.48Å; Y67-L337 HydrophobicContact CE1-CB 3.86Å; Y67-L337 HydrophobicContact CE1-CD2 3.77Å; Y67-L337 HydrophobicContact CE1-CG 4.26Å; Y67-L337 HydrophobicContact CE2-CD1 4.44Å; Y67-L337 HydrophobicContact CG-CD2 4.02Å; Y67-I340 HydrophobicContact CD1-CB 4.42Å; Y67-I340 HydrophobicContact CD1-CD1 4.23Å; Y67-I340 HydrophobicContact CD1-CG2 4.03Å; Y67-I340 HydrophobicContact CE1-CB 4.4Å; Y67-I340 HydrophobicContact CE1-CG2 4.25Å; Y67-D341 PolarHBondContact OH-OD1 3.19Å
68	R	98.9	Very high	98.8	Very high	79 Å²	79	37.5 Å²	37.5	30%	0.298	17%	0.171	S	C	.	.	H	α-helix	trans	-58	-47	176.5	-172.1	-177.2	-163.3	-56.5	-4	111.6	L64 Q71 V72 I340 V344 E347	L64-R68 WeakPolarHBondContact O-CB 3.33Å; L64-R68 PolarHBondContact O-N 3.03Å; R68-Q71 PolarHBondContact O-N 3.49Å; R68-V72 HydrophobicContact CG-CG2 4.46Å; R68-V72 WeakPolarHBondContact O-CG2 3.49Å; R68-V72 PolarHBondContact O-N 3.14Å; R68-I340 HydrophobicContact CB-CG2 3.82Å; R68-I340 HydrophobicContact CG-CG2 3.87Å; R68-V344 HydrophobicContact CG-CG2 3.83Å; R68-E347 IonicContact CZ-OE2 2.69Å; R68-E347 VanDerWaalsContact CZ-OE2 3.24Å; R68-E347 IonicContact NH1-OE2 2.76Å; R68-E347 PolarHBondContact NH1-OE2 2.97Å; R68-E347 IonicContact NH2-OE2 3.69Å; R68-E347 PolarHBondContact NH2-OE2 3.21Å
69	A	98.9	Very high	98.8	Very high	15 Å²	15	38.3 Å²	38.3	12%	0.124	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-47.8	-177.7	0	0	0	0	0	112.4	K65 Y66 Y67 Q71 V72 I73 V104 Y127	K65-A69 WeakPolarHBondContact O-CB 3.48Å; K65-A69 PolarHBondContact O-N 3.43Å; Y66-A69 PolarHBondContact O-N 3.33Å; Y67-A69 PolarHBondContact O-N 2.83Å; A69-Q71 VanDerWaalsContact C-N 3.3Å; A69-Q71 PolarHBondContact O-N 3.35Å; A69-V72 PolarHBondContact O-N 2.86Å; A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 3.35Å; A69-I73 VanDerWaalsContact O-N 3.15Å; A69-V104 HydrophobicContact CB-CG1 4.07Å; A69-V104 HydrophobicContact CB-CG2 3.94Å; A69-Y127 HydrophobicContact CB-CE1 4.18Å
70	M	98.9	Very high	98.8	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-39.3	176.8	-67.8	-167.4	-64.9	0	0	111.3	Y66 Y67 I73 R74 E100 A101 V104 I261 P318 I319 L322	Y66-M70 WeakPolarHBondContact O-CG 3.46Å; Y66-M70 PolarHBondContact O-N 2.99Å; Y67-M70 PolarHBondContact O-N 2.76Å; M70-I73 PolarHBondContact O-N 3.02Å; M70-R74 WeakPolarHBondContact O-CB 3.5Å; M70-R74 PolarHBondContact O-N 2.94Å; M70-E100 HydrophobicContact CB-CB 3.75Å; M70-E100 HydrophobicContact CB-CG 4.41Å; M70-E100 HydrophobicContact CG-CB 3.73Å; M70-E100 HydrophobicContact SD-CB 4.1Å; M70-A101 HydrophobicContact SD-CB 4.4Å; M70-V104 HydrophobicContact CB-CG2 4.47Å; M70-V104 HydrophobicContact CG-CB 3.86Å; M70-V104 HydrophobicContact CG-CG1 4.17Å; M70-V104 HydrophobicContact CG-CG2 3.58Å; M70-I261 HydrophobicContact CE-CB 4.46Å; M70-I261 HydrophobicContact CE-CG2 4.49Å; M70-I261 HydrophobicContact SD-CB 4.32Å; M70-I261 HydrophobicContact SD-CD1 4.4Å; M70-P318 HydrophobicContact SD-CB 4.23Å; M70-I319 HydrophobicContact CB-CD1 4.16Å; M70-I319 HydrophobicContact CB-CG1 3.63Å; M70-I319 HydrophobicContact CE-CG1 4.35Å; M70-L322 HydrophobicContact CE-CB 3.83Å; M70-L322 HydrophobicContact CE-CD2 3.37Å; M70-L322 HydrophobicContact CE-CG 4.24Å
71	Q	98.9	Very high	98.9	Very high	26 Å²	26	34.8 Å²	34.8	12%	0.121	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-39.7	178	-169.7	66.9	-9.5	0	0	112.6	Y67 R68 A69 I73 R74 R75 D341 V344	Y67-Q71 WeakPolarHBondContact O-CB 3.42Å; Y67-Q71 PolarHBondContact O-N 2.93Å; R68-Q71 PolarHBondContact O-N 3.49Å; A69-Q71 VanDerWaalsContact C-N 3.3Å; A69-Q71 PolarHBondContact O-N 3.35Å; Q71-I73 VanDerWaalsContact C-N 3.33Å; Q71-I73 PolarHBondContact O-N 3.47Å; Q71-R74 PolarHBondContact O-N 3.42Å; Q71-R75 HydrophobicContact CG-CG 4.41Å; Q71-R75 WeakPolarHBondContact O-CB 3.39Å; Q71-R75 VanDerWaalsContact O-CG 3.29Å; Q71-R75 WeakPolarHBondContact O-CG 3.48Å; Q71-R75 PolarHBondContact O-N 2.93Å; Q71-D341 VanDerWaalsContact CG-OD1 3.24Å; Q71-D341 WeakPolarHBondContact CG-OD1 3.18Å; Q71-D341 PolarHBondContact NE2-OD1 3.22Å; Q71-V344 HydrophobicContact CB-CG1 4.46Å; Q71-V344 HydrophobicContact CG-CB 4.31Å; Q71-V344 HydrophobicContact CG-CG1 4.02Å; Q71-V344 HydrophobicContact CG-CG2 4.47Å
72	V	98.9	Very high	98.9	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-47.7	173.8	170.7	0	0	0	0	110.6	R68 A69 R75 M76 Y127 V133 V344	R68-V72 HydrophobicContact CG-CG2 4.46Å; R68-V72 WeakPolarHBondContact O-CG2 3.49Å; R68-V72 PolarHBondContact O-N 3.14Å; A69-V72 PolarHBondContact O-N 2.86Å; V72-R75 PolarHBondContact O-N 3Å; V72-M76 VanDerWaalsContact O-CB 3.25Å; V72-M76 WeakPolarHBondContact O-CB 3.44Å; V72-M76 PolarHBondContact O-N 3.11Å; V72-Y127 HydrophobicContact CB-CE1 4.05Å; V72-Y127 HydrophobicContact CB-CE2 4.32Å; V72-Y127 HydrophobicContact CG1-CD1 4.39Å; V72-Y127 HydrophobicContact CG1-CD2 3.96Å; V72-Y127 HydrophobicContact CG1-CE1 3.99Å; V72-Y127 HydrophobicContact CG1-CE2 3.51Å; V72-Y127 HydrophobicContact CG1-CG 4.38Å; V72-V133 HydrophobicContact CG1-CG2 3.4Å; V72-V344 HydrophobicContact CB-CG1 4.24Å; V72-V344 HydrophobicContact CG2-CB 4.3Å; V72-V344 HydrophobicContact CG2-CG1 3.72Å; V72-V344 HydrophobicContact CG2-CG2 3.67Å
73	I	98.9	Very high	98.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-50.6	179.4	-63.5	169.3	0	0	0	109.9	A69 M70 Q71 R75 M76 E77 C96 E100 C103 V104 Y127 T128	A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 3.35Å; A69-I73 VanDerWaalsContact O-N 3.15Å; M70-I73 PolarHBondContact O-N 3.02Å; Q71-I73 VanDerWaalsContact C-N 3.33Å; Q71-I73 PolarHBondContact O-N 3.47Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.35Å; I73-M76 PolarHBondContact O-N 2.88Å; I73-E77 HydrophobicContact CG2-CG 4.34Å; I73-E77 VanDerWaalsContact O-CG 3.27Å; I73-E77 WeakPolarHBondContact O-CG 3.42Å; I73-E77 PolarHBondContact O-N 3.29Å; I73-C96 VanDerWaalsContact CG2-SG 3.52Å; I73-E100 HydrophobicContact CB-CG 4.13Å; I73-E100 HydrophobicContact CG2-CG 3.91Å; I73-C103 WeakPolarHBondContact CD1-SG 3.43Å; I73-V104 HydrophobicContact CD1-CG2 3.71Å; I73-Y127 HydrophobicContact CD1-CD1 4.03Å; I73-Y127 HydrophobicContact CG1-CD1 3.7Å; I73-Y127 HydrophobicContact CG1-CE1 4.38Å; I73-Y127 HydrophobicContact CG1-CG 4.35Å; I73-T128 HydrophobicContact CD1-CG2 4.06Å
74	R	98.9	Very high	98.9	Very high	28 Å²	28	30.8 Å²	30.8	11%	0.106	14%	0.137	C	C	.	.	H	α-helix	trans	-52.8	-48.9	176.7	176.9	61.8	58.9	77.9	3.9	112	M70 Q71 E77 L78 E100 D317 I319	M70-R74 WeakPolarHBondContact O-CB 3.5Å; M70-R74 PolarHBondContact O-N 2.94Å; Q71-R74 PolarHBondContact O-N 3.42Å; R74-E77 PolarHBondContact O-N 2.95Å; R74-L78 HydrophobicContact CG-CD1 4.21Å; R74-L78 VanDerWaalsContact O-CG 3.26Å; R74-L78 WeakPolarHBondContact O-CG 3.48Å; R74-L78 PolarHBondContact O-N 2.87Å; R74-L78 VanDerWaalsContact O-N 3.08Å; R74-E100 IonicContact CZ-OE1 2.71Å; R74-E100 IonicContact CZ-OE2 3.26Å; R74-E100 IonicContact NE-OE1 3.99Å; R74-E100 PolarHBondContact NE-OE1 2.8Å; R74-E100 IonicContact NE-OE2 2.89Å; R74-E100 IonicContact NH2-OE1 3.63Å; R74-E100 PolarHBondContact NH2-OE1 2.9Å; R74-E100 IonicContact NH2-OE2 3.59Å; R74-E100 PolarHBondContact NH2-OE2 3.28Å; R74-D317 IonicContact CZ-OD2 3.64Å; R74-D317 VanDerWaalsContact CZ-OD2 3.24Å; R74-D317 IonicContact NH1-OD2 2.68Å; R74-D317 PolarHBondContact NH1-OD2 2.81Å; R74-D317 IonicContact NH2-OD2 3.25Å; R74-D317 PolarHBondContact NH2-OD2 3.29Å; R74-I319 HydrophobicContact CB-CD1 3.69Å; R74-I319 HydrophobicContact CG-CD1 4.09Å
75	R	98.9	Very high	98.9	Very high	74 Å²	74	35.3 Å²	35.3	28%	0.279	16%	0.156	S	C	.	.	H	α-helix	trans	-70.2	-38.1	-177.9	-66.5	-55.6	-58.6	177.4	2.1	112.2	Q71 V72 I73 L78 K79 V344 V348	Q71-R75 HydrophobicContact CG-CG 4.41Å; Q71-R75 WeakPolarHBondContact O-CB 3.39Å; Q71-R75 VanDerWaalsContact O-CG 3.29Å; Q71-R75 WeakPolarHBondContact O-CG 3.48Å; Q71-R75 PolarHBondContact O-N 2.93Å; V72-R75 PolarHBondContact O-N 3Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.35Å; R75-L78 PolarHBondContact O-N 3.38Å; R75-K79 VanDerWaalsContact O-CB 3.32Å; R75-K79 WeakPolarHBondContact O-CB 3.34Å; R75-K79 PolarHBondContact O-N 3.48Å; R75-V344 HydrophobicContact CB-CG1 4.13Å; R75-V344 HydrophobicContact CG-CG1 3.9Å; R75-V348 HydrophobicContact CB-CB 4.42Å; R75-V348 HydrophobicContact CB-CG1 4.5Å; R75-V348 HydrophobicContact CB-CG2 3.86Å
76	M	98.9	Very high	98.9	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-43.2	174.4	178.7	177.6	65.6	0	0	111.5	V72 I73 K79 S80 H123 V133 I136 L137	V72-M76 VanDerWaalsContact O-CB 3.25Å; V72-M76 WeakPolarHBondContact O-CB 3.44Å; V72-M76 PolarHBondContact O-N 3.11Å; I73-M76 PolarHBondContact O-N 2.88Å; M76-K79 PolarHBondContact O-N 3.44Å; M76-S80 WeakPolarHBondContact O-CB 3.3Å; M76-S80 PolarHBondContact O-N 2.72Å; M76-S80 PolarHBondContact O-OG 2.92Å; M76-H123 HydrophobicContact CE-CB 3.77Å; M76-V133 HydrophobicContact CB-CG1 4.33Å; M76-V133 HydrophobicContact CG-CG1 4.09Å; M76-V133 HydrophobicContact SD-CG1 4.14Å; M76-V133 HydrophobicContact SD-CG2 4.41Å; M76-I136 HydrophobicContact CE-CD1 4.29Å; M76-I136 HydrophobicContact CE-CG2 4.47Å; M76-I136 HydrophobicContact SD-CB 4.06Å; M76-I136 HydrophobicContact SD-CD1 3.85Å; M76-I136 HydrophobicContact SD-CG2 3.71Å; M76-L137 HydrophobicContact CG-CD2 4.04Å; M76-L137 HydrophobicContact CG-CG 4.48Å
77	E	98.9	Very high	98.8	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-43.8	178.8	-64.2	-69.1	-160.5	0	0	111.9	I73 R74 K79 S80 D81 L95 C96 D97 H123	I73-E77 HydrophobicContact CG2-CG 4.34Å; I73-E77 VanDerWaalsContact O-CG 3.27Å; I73-E77 WeakPolarHBondContact O-CG 3.42Å; I73-E77 PolarHBondContact O-N 3.29Å; R74-E77 PolarHBondContact O-N 2.95Å; E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.23Å; E77-S80 WeakPolarHBondContact O-CB 3.14Å; E77-S80 PolarHBondContact O-N 3.02Å; E77-S80 VanDerWaalsContact O-N 3.11Å; E77-D81 PolarHBondContact O-N 3.23Å; E77-L95 HydrophobicContact CB-CB 4.28Å; E77-L95 HydrophobicContact CB-CD2 4.47Å; E77-L95 WeakPolarHBondContact OE2-CA 3.47Å; E77-L95 WeakPolarHBondContact OE2-CD2 3.5Å; E77-C96 VanDerWaalsContact CD-N 3.33Å; E77-C96 PolarHBondContact OE1-N 3Å; E77-C96 PolarHBondContact OE1-SG 3.23Å; E77-D97 HydrophobicContact CB-CB 4.18Å; E77-H123 WeakPolarHBondContact OE1-CB 3.48Å; E77-H123 IonicContact OE1-CG 3.54Å; E77-H123 IonicContact OE1-ND1 3.7Å; E77-H123 PolarHBondContact OE1-ND1 3.12Å; E77-H123 IonicContact OE2-CE1 3.37Å; E77-H123 IonicContact OE2-CG 2.8Å; E77-H123 IonicContact OE2-ND1 3.67Å; E77-H123 PolarHBondContact OE2-ND1 3.19Å
78	L	98.9	Very high	98.8	Very high	59 Å²	59	43.8 Å²	43.8	31%	0.309	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-34.9	174.5	-67.5	175.8	0	0	0	112.5	R74 R75 Q82	R74-L78 HydrophobicContact CG-CD1 4.21Å; R74-L78 VanDerWaalsContact O-CG 3.26Å; R74-L78 WeakPolarHBondContact O-CG 3.48Å; R74-L78 PolarHBondContact O-N 2.87Å; R74-L78 VanDerWaalsContact O-N 3.08Å; R75-L78 PolarHBondContact O-N 3.38Å; L78-Q82 PolarHBondContact O-N 2.97Å
79	K	98.9	Very high	98.8	Very high	17 Å²	17	40.2 Å²	40.2	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-39.4	172.9	-179.2	57.4	60.6	173.5	0	111.4	R75 M76 E77 Q82 M83 L137 V348 E349 A352	R75-K79 VanDerWaalsContact O-CB 3.32Å; R75-K79 WeakPolarHBondContact O-CB 3.34Å; R75-K79 PolarHBondContact O-N 3.48Å; M76-K79 PolarHBondContact O-N 3.44Å; E77-K79 VanDerWaalsContact C-N 3.28Å; E77-K79 PolarHBondContact O-N 3.23Å; K79-Q82 WeakPolarHBondContact O-CB 3.36Å; K79-Q82 PolarHBondContact O-N 3.42Å; K79-M83 HydrophobicContact CD-CG 4.05Å; K79-M83 HydrophobicContact CD-SD 3.93Å; K79-M83 HydrophobicContact CG-CG 4.33Å; K79-M83 HydrophobicContact CG-SD 3.73Å; K79-M83 WeakPolarHBondContact O-CB 3.4Å; K79-M83 VanDerWaalsContact O-CG 3.3Å; K79-M83 WeakPolarHBondContact O-CG 3.34Å; K79-M83 PolarHBondContact O-N 3.11Å; K79-L137 HydrophobicContact CG-CD1 4.19Å; K79-V348 HydrophobicContact CB-CG1 3.68Å; K79-V348 HydrophobicContact CG-CG1 3.96Å; K79-E349 WeakPolarHBondContact CE-OE1 3.16Å; K79-E349 IonicContact NZ-OE1 3.26Å; K79-E349 PolarHBondContact NZ-OE1 3.34Å; K79-E349 IonicContact NZ-OE2 2.73Å; K79-E349 PolarHBondContact NZ-OE2 3.36Å; K79-A352 HydrophobicContact CD-CB 3.7Å; K79-A352 HydrophobicContact CG-CB 3.81Å
80	S	98.9	Very high	98.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-40.3	176.2	-58.4	0	0	0	0	111.8	M76 E77 M83 Y84 L137 L140	M76-S80 WeakPolarHBondContact O-CB 3.3Å; M76-S80 PolarHBondContact O-N 2.72Å; M76-S80 PolarHBondContact O-OG 2.92Å; E77-S80 WeakPolarHBondContact O-CB 3.14Å; E77-S80 PolarHBondContact O-N 3.02Å; E77-S80 VanDerWaalsContact O-N 3.11Å; S80-M83 PolarHBondContact O-N 2.86Å; S80-Y84 WeakPolarHBondContact O-CB 3.45Å; S80-Y84 PolarHBondContact O-N 2.89Å; S80-L137 WeakPolarHBondContact OG-CD2 3.42Å; S80-L140 WeakPolarHBondContact OG-CD1 3.45Å
81	D	98.9	Very high	98.7	Very high	22 Å²	22	52.4 Å²	52.4	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-51.6	169.7	168.9	75.4	0	0	0	111.6	E77 M83 Y84 K85 L95 H292 M296	E77-D81 PolarHBondContact O-N 3.23Å; D81-M83 PolarHBondContact O-N 2.95Å; D81-Y84 PolarHBondContact O-N 2.73Å; D81-K85 WeakPolarHBondContact O-CG 3.44Å; D81-K85 PolarHBondContact O-N 2.82Å; D81-K85 WeakPolarHBondContact OD1-CE 3.45Å; D81-K85 IonicContact OD1-NZ 2.72Å; D81-K85 PolarHBondContact OD1-NZ 3.33Å; D81-K85 WeakPolarHBondContact OD2-CE 3.43Å; D81-K85 IonicContact OD2-NZ 2.85Å; D81-K85 PolarHBondContact OD2-NZ 2.97Å; D81-L95 HydrophobicContact CB-CD1 3.79Å; D81-H292 IonicContact OD1-NE2 2.89Å; D81-M296 HydrophobicContact CB-CE 4.25Å; D81-M296 HydrophobicContact CB-SD 4.36Å; D81-M296 WeakPolarHBondContact OD1-CE 3.34Å
82	Q	98.8	Very high	98.7	Very high	80 Å²	80	56.6 Å²	56.6	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-49	179.5	-176.6	-176.3	23.3	0	0	111.5	L78 K79 Y84 K85 Q86	L78-Q82 PolarHBondContact O-N 2.97Å; K79-Q82 WeakPolarHBondContact O-CB 3.36Å; K79-Q82 PolarHBondContact O-N 3.42Å; Q82-Y84 VanDerWaalsContact C-N 3.32Å; Q82-Y84 PolarHBondContact O-N 2.88Å; Q82-K85 PolarHBondContact O-N 3.24Å; Q82-Q86 WeakPolarHBondContact O-CG 3.42Å; Q82-Q86 PolarHBondContact O-N 3.28Å
83	M	98.8	Very high	98.7	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-32.5	-177.8	-70.5	175.2	67.6	0	0	112.2	K79 S80 D81 Q86 K87 F88 I89 T141 A352 A355 T356	K79-M83 HydrophobicContact CD-CG 4.05Å; K79-M83 HydrophobicContact CD-SD 3.93Å; K79-M83 HydrophobicContact CG-CG 4.33Å; K79-M83 HydrophobicContact CG-SD 3.73Å; K79-M83 WeakPolarHBondContact O-CB 3.4Å; K79-M83 VanDerWaalsContact O-CG 3.3Å; K79-M83 WeakPolarHBondContact O-CG 3.34Å; K79-M83 PolarHBondContact O-N 3.11Å; S80-M83 PolarHBondContact O-N 2.86Å; D81-M83 PolarHBondContact O-N 2.95Å; M83-Q86 CarbonylContact O-C 3.56Å; M83-Q86 PolarHBondContact O-N 3.13Å; M83-K87 PolarHBondContact O-N 3.48Å; M83-F88 HydrophobicContact CB-CB 4.25Å; M83-F88 HydrophobicContact CE-CB 4.38Å; M83-F88 PolarHBondContact O-N 2.91Å; M83-I89 HydrophobicContact CB-CD1 3.69Å; M83-I89 HydrophobicContact CB-CG1 3.99Å; M83-I89 PolarHBondContact O-N 3Å; M83-T141 HydrophobicContact CE-CG2 3.16Å; M83-A352 HydrophobicContact SD-CB 3.98Å; M83-A355 HydrophobicContact CE-CB 4.13Å; M83-T356 HydrophobicContact CE-CG2 3.81Å
84	Y	98.8	Very high	98.7	Very high	40 Å²	40	56.8 Å²	56.8	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-44.6	172.4	-167.9	-77.5	0	0	0	111.8	S80 D81 Q82 Q86 K87 I89 G91 C93 M296	S80-Y84 WeakPolarHBondContact O-CB 3.45Å; S80-Y84 PolarHBondContact O-N 2.89Å; D81-Y84 PolarHBondContact O-N 2.73Å; Q82-Y84 VanDerWaalsContact C-N 3.32Å; Q82-Y84 PolarHBondContact O-N 2.88Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Y84-K87 PolarHBondContact O-N 3.31Å; Y84-I89 HydrophobicContact CD2-CB 3.95Å; Y84-I89 HydrophobicContact CD2-CG2 3.67Å; Y84-I89 HydrophobicContact CE2-CG2 4.38Å; Y84-I89 HydrophobicContact CG-CB 4.45Å; Y84-G91 WeakPolarHBondContact CE2-O 3.11Å; Y84-G91 PolarHBondContact OH-O 3.43Å; Y84-C93 HydrophobicContact CD2-CB 3.61Å; Y84-C93 HydrophobicContact CE2-CB 3.86Å; Y84-M296 HydrophobicContact CD1-CB 3.56Å; Y84-M296 HydrophobicContact CD1-CE 3.97Å; Y84-M296 HydrophobicContact CD1-CG 3.91Å; Y84-M296 HydrophobicContact CD2-CB 3.86Å; Y84-M296 HydrophobicContact CD2-CG 3.76Å; Y84-M296 HydrophobicContact CE1-CB 3.47Å; Y84-M296 VanDerWaalsContact CE1-CB 3.47Å; Y84-M296 HydrophobicContact CE1-CG 4.29Å; Y84-M296 HydrophobicContact CE2-CB 3.79Å; Y84-M296 HydrophobicContact CE2-CG 4.16Å; Y84-M296 HydrophobicContact CG-CB 3.77Å; Y84-M296 HydrophobicContact CG-CE 4.17Å; Y84-M296 HydrophobicContact CG-CG 3.63Å
85	K	98.4	Very high	98.7	Very high	131 Å²	131	55.6 Å²	55.6	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-61.5	-35	175.3	-72.9	168.6	179.3	159.6	0	112	D81 Q82 K87 M296	D81-K85 WeakPolarHBondContact O-CG 3.44Å; D81-K85 PolarHBondContact O-N 2.82Å; D81-K85 WeakPolarHBondContact OD1-CE 3.45Å; D81-K85 IonicContact OD1-NZ 2.72Å; D81-K85 PolarHBondContact OD1-NZ 3.33Å; D81-K85 WeakPolarHBondContact OD2-CE 3.43Å; D81-K85 IonicContact OD2-NZ 2.85Å; D81-K85 PolarHBondContact OD2-NZ 2.97Å; Q82-K85 PolarHBondContact O-N 3.24Å; K85-K87 PolarHBondContact O-N 2.93Å; K85-M296 HydrophobicContact CG-CE 4.41Å
86	Q	98.5	Very high	98.7	Very high	99 Å²	99	52.4 Å²	52.4	46%	0.463	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	1.3	173.8	-69.5	173.8	-22	0	0	114.4	Q82 M83 Y84 F88	Q82-Q86 WeakPolarHBondContact O-CG 3.42Å; Q82-Q86 PolarHBondContact O-N 3.28Å; M83-Q86 CarbonylContact O-C 3.56Å; M83-Q86 PolarHBondContact O-N 3.13Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Q86-F88 HydrophobicContact CB-CD2 3.67Å; Q86-F88 HydrophobicContact CB-CE2 3.99Å; Q86-F88 PolarHBondContact O-N 3.24Å
87	K	98.5	Very high	98.7	Very high	162 Å²	162	52.4 Å²	52.4	70%	0.704	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	13.8	-179.5	-49.2	-58.3	-177	-175.8	0	115.4	M83 Y84 K85 I89	M83-K87 PolarHBondContact O-N 3.48Å; Y84-K87 PolarHBondContact O-N 3.31Å; K85-K87 PolarHBondContact O-N 2.93Å; K87-I89 VanDerWaalsContact C-N 3.32Å
88	F	98.6	Very high	98.7	Very high	85 Å²	85	52.4 Å²	52.4	37%	0.373	25%	0.245	S	C	.	.	S	Bend	trans	-71.1	-31.5	168.2	-71	-63.1	0	0	0	112	M83 Q86 T141 T356	M83-F88 HydrophobicContact CB-CB 4.25Å; M83-F88 HydrophobicContact CE-CB 4.38Å; M83-F88 PolarHBondContact O-N 2.91Å; Q86-F88 HydrophobicContact CB-CD2 3.67Å; Q86-F88 HydrophobicContact CB-CE2 3.99Å; Q86-F88 PolarHBondContact O-N 3.24Å; F88-T141 HydrophobicContact CB-CG2 4.04Å; F88-T141 WeakPolarHBondContact O-CA 3.29Å; F88-T356 HydrophobicContact CD1-CG2 4Å; F88-T356 HydrophobicContact CD2-CG2 3.96Å; F88-T356 HydrophobicContact CE1-CG2 4.07Å; F88-T356 HydrophobicContact CE2-CG2 4.03Å; F88-T356 HydrophobicContact CG-CG2 3.94Å; F88-T356 HydrophobicContact CZ-CG2 4.09Å
89	I	98.8	Very high	98.7	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	23%	0.231	C	C	.	.	S	Bend	trans	-107.6	141.2	172.5	-55.3	170.2	0	0	0	107.9	M83 Y84 K87 C93 L140 T141	M83-I89 HydrophobicContact CB-CD1 3.69Å; M83-I89 HydrophobicContact CB-CG1 3.99Å; M83-I89 PolarHBondContact O-N 3Å; Y84-I89 HydrophobicContact CD2-CB 3.95Å; Y84-I89 HydrophobicContact CD2-CG2 3.67Å; Y84-I89 HydrophobicContact CE2-CG2 4.38Å; Y84-I89 HydrophobicContact CG-CB 4.45Å; K87-I89 VanDerWaalsContact C-N 3.32Å; I89-C93 HydrophobicContact CG2-CB 4.29Å; I89-L140 HydrophobicContact CD1-CB 3.74Å; I89-L140 HydrophobicContact CD1-CD1 4.21Å; I89-L140 HydrophobicContact CG1-CB 3.93Å; I89-L140 HydrophobicContact CG2-CB 4.33Å; I89-L140 WeakPolarHBondContact CG2-O 3.33Å; I89-T141 HydrophobicContact CG1-CG2 4.02Å
90	R	98	Very high	98.7	Very high	218 Å²	218	49 Å²	49	82%	0.823	23%	0.227	S	C	*	.			trans	-137.4	170.8	-177.2	61.1	-177.6	-136.2	108.2	4.8	111.4
91	G	98.2	Very high	98.7	Very high	54 Å²	54	49 Å²	49	56%	0.557	23%	0.227	S	C	*	.	S	Bend	trans	69.5	-133.9	-179.4	0	0	0	0	0	111.8	Y84	Y84-G91 WeakPolarHBondContact CE2-O 3.11Å; Y84-G91 PolarHBondContact OH-O 3.43Å
92	F	98.4	Very high	98.7	Very high	113 Å²	113	48 Å²	48	50%	0.496	22%	0.222	S	C	.	.			trans	-85.5	142.8	178	-71.5	-71	0	0	0	112	H94 S154 M155	F92-H94 AromaticContact CD1-CE1 3.81Å; F92-H94 AromaticContact CD1-NE2 3.98Å; F92-H94 AromaticContact CG-CE1 3.95Å; F92-S154 WeakPolarHBondContact O-CB 3.25Å; F92-M155 HydrophobicContact CB-CE 4.27Å; F92-M155 HydrophobicContact CB-CG 4.05Å; F92-M155 HydrophobicContact CB-SD 3.82Å; F92-M155 HydrophobicContact CD2-CE 3.53Å; F92-M155 HydrophobicContact CD2-SD 3.84Å; F92-M155 HydrophobicContact CE2-CE 4.23Å; F92-M155 HydrophobicContact CG-CE 4.18Å; F92-M155 HydrophobicContact CG-SD 3.91Å
93	C	98.8	Very high	98.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	21%	0.206	C	C	.	.			trans	-150.8	116.5	170	-175.6	0	0	0	0	108.7	Y84 I89 S295 M296	Y84-C93 HydrophobicContact CD2-CB 3.61Å; Y84-C93 HydrophobicContact CE2-CB 3.86Å; I89-C93 HydrophobicContact CG2-CB 4.29Å; C93-S295 WeakPolarHBondContact O-CA 3.48Å; C93-M296 HydrophobicContact CB-CB 4.35Å; C93-M296 HydrophobicContact CB-CG 3.66Å; C93-M296 PolarHBondContact O-N 3.18Å
94	H	98.9	Very high	98.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.019	21%	0.207	C	C	.	.			trans	-119	104	-173.2	-55	93.7	0	0	0	110.1	F92 Y120 R121 H294	F92-H94 AromaticContact CD1-CE1 3.81Å; F92-H94 AromaticContact CD1-NE2 3.98Å; F92-H94 AromaticContact CG-CE1 3.95Å; H94-Y120 HydrophobicContact CB-CD2 4Å; H94-Y120 AromaticContact CD2-CD2 3.52Å; H94-Y120 AromaticContact CD2-CE2 3.51Å; H94-Y120 AromaticContact CE1-CD2 3.5Å; H94-Y120 AromaticContact CE1-CG 3.9Å; H94-Y120 AromaticContact CG-CD2 3.42Å; H94-Y120 VanDerWaalsContact CG-CD2 3.42Å; H94-Y120 AromaticContact CG-CE2 3.89Å; H94-Y120 AromaticContact ND1-CD2 3.41Å; H94-Y120 WeakPolarHBondContact ND1-CD2 3.25Å; H94-Y120 AromaticContact ND1-CG 3.97Å; H94-Y120 AromaticContact NE2-CD2 3.62Å; H94-Y120 AromaticContact NE2-CE2 3.67Å; H94-R121 HydrophobicContact CB-CB 4.26Å; H94-R121 HydrophobicContact CB-CG 4.34Å; H94-H294 PolarHBondContact CD2-O 3.01Å; H94-H294 VanDerWaalsContact CD2-O 3.3Å
95	L	98.9	Very high	98.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	20%	0.199	C	C	.	.			trans	-84.4	131.8	-171.9	-50.5	-178.6	0	0	0	112.3	E77 D81 R121 H292 M296	E77-L95 HydrophobicContact CB-CB 4.28Å; E77-L95 HydrophobicContact CB-CD2 4.47Å; E77-L95 WeakPolarHBondContact OE2-CA 3.47Å; E77-L95 WeakPolarHBondContact OE2-CD2 3.5Å; D81-L95 HydrophobicContact CB-CD1 3.79Å; L95-R121 PolarHBondContact O-NH1 3.13Å; L95-H292 HydrophobicContact CB-CB 4.41Å; L95-H292 HydrophobicContact CD1-CB 4.37Å; L95-M296 HydrophobicContact CD1-SD 3.72Å; L95-M296 HydrophobicContact CG-SD 4.22Å
96	C	98.8	Very high	98.7	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.054	17%	0.172	C	C	.	.			trans	-91.8	14.3	179.8	75.2	0	0	0	0	115.1	I73 E77 G98 Q99 R121	I73-C96 VanDerWaalsContact CG2-SG 3.52Å; E77-C96 VanDerWaalsContact CD-N 3.33Å; E77-C96 PolarHBondContact OE1-N 3Å; E77-C96 PolarHBondContact OE1-SG 3.23Å; C96-G98 PolarHBondContact O-N 2.97Å; C96-Q99 WeakPolarHBondContact O-CB 3.34Å; C96-Q99 PolarHBondContact O-N 2.99Å; C96-R121 HydrophobicContact CB-CG 3.85Å
97	D	98.9	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	127.9	-178.1	67.5	-56.9	0	0	0	112.6	E77 E100 Y291 H292 R313	E77-D97 HydrophobicContact CB-CB 4.18Å; D97-E100 VanDerWaalsContact CA-OE1 3.23Å; D97-E100 WeakPolarHBondContact CA-OE1 2.95Å; D97-Y291 PolarHBondContact O-N 2.95Å; D97-Y291 WeakPolarHBondContact OD2-CB 3.28Å; D97-H292 IonicContact OD1-CE1 3.88Å; D97-H292 IonicContact OD1-CG 2.7Å; D97-H292 IonicContact OD1-ND1 3.24Å; D97-H292 PolarHBondContact OD1-ND1 3.42Å; D97-H292 IonicContact OD2-CE1 2.72Å; D97-H292 PolarHBondContact OD2-CE1 2.79Å; D97-H292 VanDerWaalsContact OD2-CE1 3.26Å; D97-H292 IonicContact OD2-ND1 2.81Å; D97-H292 PolarHBondContact OD2-ND1 3.32Å; D97-R313 IonicContact OD2-NH2 2.71Å
98	G	98.8	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.4	-14.2	-167.4	0	0	0	0	0	114	C96 E100 M259 Y289	C96-G98 PolarHBondContact O-N 2.97Å; G98-E100 VanDerWaalsContact C-OE2 3.27Å; G98-E100 VanDerWaalsContact CA-OE2 3.23Å; G98-E100 WeakPolarHBondContact CA-OE2 3.37Å; G98-E100 VanDerWaalsContact N-CD 3.34Å; G98-E100 PolarHBondContact N-OE1 2.89Å; G98-E100 VanDerWaalsContact N-OE1 3.12Å; G98-E100 PolarHBondContact N-OE2 3.44Å; G98-M259 VanDerWaalsContact O-CE 3.29Å; G98-M259 WeakPolarHBondContact O-CE 3.2Å; G98-Y289 CarbonylContact C-O 3.55Å; G98-Y289 WeakPolarHBondContact CA-O 3.48Å
99	Q	98.9	Very high	98.8	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.023	12%	0.123	C	C	.	.			trans	-110.7	16.6	179.4	-50.3	-175	18.4	0	0	112.8	C96 A101 C102 T288 Y289	C96-Q99 WeakPolarHBondContact O-CB 3.34Å; C96-Q99 PolarHBondContact O-N 2.99Å; Q99-A101 VanDerWaalsContact C-N 3.26Å; Q99-A101 PolarHBondContact O-N 2.63Å; Q99-C102 VanDerWaalsContact O-CB 3.28Å; Q99-C102 WeakPolarHBondContact O-CB 3.35Å; Q99-C102 PolarHBondContact O-N 3.13Å; Q99-T288 HydrophobicContact CB-CG2 4.39Å; Q99-T288 HydrophobicContact CG-CG2 3.85Å; Q99-Y289 VanDerWaalsContact CG-O 3.31Å; Q99-Y289 WeakPolarHBondContact CG-O 3.21Å
100	E	98.9	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-34.1	-173.9	-62.3	84.8	172.7	0	0	112.8	M70 I73 R74 D97 G98 C102 C103 V104 P318	M70-E100 HydrophobicContact CB-CB 3.75Å; M70-E100 HydrophobicContact CB-CG 4.41Å; M70-E100 HydrophobicContact CG-CB 3.73Å; M70-E100 HydrophobicContact SD-CB 4.1Å; I73-E100 HydrophobicContact CB-CG 4.13Å; I73-E100 HydrophobicContact CG2-CG 3.91Å; R74-E100 IonicContact CZ-OE1 2.71Å; R74-E100 IonicContact CZ-OE2 3.26Å; R74-E100 IonicContact NE-OE1 3.99Å; R74-E100 PolarHBondContact NE-OE1 2.8Å; R74-E100 IonicContact NE-OE2 2.89Å; R74-E100 IonicContact NH2-OE1 3.63Å; R74-E100 PolarHBondContact NH2-OE1 2.9Å; R74-E100 IonicContact NH2-OE2 3.59Å; R74-E100 PolarHBondContact NH2-OE2 3.28Å; D97-E100 VanDerWaalsContact CA-OE1 3.23Å; D97-E100 WeakPolarHBondContact CA-OE1 2.95Å; G98-E100 VanDerWaalsContact C-OE2 3.27Å; G98-E100 VanDerWaalsContact CA-OE2 3.23Å; G98-E100 WeakPolarHBondContact CA-OE2 3.37Å; G98-E100 VanDerWaalsContact N-CD 3.34Å; G98-E100 PolarHBondContact N-OE1 2.89Å; G98-E100 VanDerWaalsContact N-OE1 3.12Å; G98-E100 PolarHBondContact N-OE2 3.44Å; E100-C102 PolarHBondContact O-N 3.49Å; E100-C103 PolarHBondContact O-SG 2.85Å; E100-V104 WeakPolarHBondContact O-CB 3.43Å; E100-V104 WeakPolarHBondContact O-CG2 3.39Å; E100-V104 PolarHBondContact O-N 2.93Å; E100-P318 HydrophobicContact CB-CG 4.31Å; E100-P318 VanDerWaalsContact OE2-CG 3.28Å; E100-P318 WeakPolarHBondContact OE2-CG 3.5Å
101	A	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-27.7	174.7	0	0	0	0	0	112.8	M70 Q99 G105 G258 I261 P318	M70-A101 HydrophobicContact SD-CB 4.4Å; Q99-A101 VanDerWaalsContact C-N 3.26Å; Q99-A101 PolarHBondContact O-N 2.63Å; A101-G105 VanDerWaalsContact O-CA 3.32Å; A101-G105 WeakPolarHBondContact O-CA 3.41Å; A101-G105 PolarHBondContact O-N 3.01Å; A101-G258 WeakPolarHBondContact CB-O 3.49Å; A101-I261 HydrophobicContact CB-CB 4.28Å; A101-P318 HydrophobicContact CB-CB 3.6Å
102	C	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.2	-64.7	176.5	-63.4	0	0	0	0	109.9	Q99 E100 V104 G105 L106 G258 L286 T288	Q99-C102 VanDerWaalsContact O-CB 3.28Å; Q99-C102 WeakPolarHBondContact O-CB 3.35Å; Q99-C102 PolarHBondContact O-N 3.13Å; E100-C102 PolarHBondContact O-N 3.49Å; C102-V104 PolarHBondContact O-N 3.42Å; C102-G105 PolarHBondContact O-N 3.26Å; C102-L106 WeakPolarHBondContact O-CB 3.49Å; C102-L106 WeakPolarHBondContact O-CG 3.49Å; C102-L106 PolarHBondContact O-N 3.13Å; C102-G258 PolarHBondContact SG-O 3.05Å; C102-G258 VanDerWaalsContact SG-O 3.36Å; C102-L286 HydrophobicContact CB-CD1 3.88Å; C102-T288 VanDerWaalsContact SG-CB 3.6Å
103	C	98.6	Very high	98.8	Very high	6 Å²	6	18 Å²	18	4%	0.041	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-44.1	-176.7	52.8	0	0	0	0	113.5	I73 E100 E107 L125	I73-C103 WeakPolarHBondContact CD1-SG 3.43Å; E100-C103 PolarHBondContact O-SG 2.85Å; C103-E107 WeakPolarHBondContact O-CB 3.49Å; C103-E107 PolarHBondContact O-N 2.77Å; C103-E107 VanDerWaalsContact O-N 3.14Å; C103-L125 HydrophobicContact CB-CD2 3.73Å; C103-L125 HydrophobicContact CB-CG 3.89Å
104	V	98.9	Very high	98.8	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-34	178.8	-178.1	0	0	0	0	111.5	Y66 A69 M70 I73 E100 C102 A108 T128 I261	Y66-V104 HydrophobicContact CD1-CG1 3.94Å; Y66-V104 HydrophobicContact CG-CG1 4.36Å; A69-V104 HydrophobicContact CB-CG1 4.07Å; A69-V104 HydrophobicContact CB-CG2 3.94Å; M70-V104 HydrophobicContact CB-CG2 4.47Å; M70-V104 HydrophobicContact CG-CB 3.86Å; M70-V104 HydrophobicContact CG-CG1 4.17Å; M70-V104 HydrophobicContact CG-CG2 3.58Å; I73-V104 HydrophobicContact CD1-CG2 3.71Å; E100-V104 WeakPolarHBondContact O-CB 3.43Å; E100-V104 WeakPolarHBondContact O-CG2 3.39Å; E100-V104 PolarHBondContact O-N 2.93Å; C102-V104 PolarHBondContact O-N 3.42Å; V104-A108 VanDerWaalsContact O-CB 3.29Å; V104-A108 WeakPolarHBondContact O-CB 3.48Å; V104-A108 PolarHBondContact O-N 3.43Å; V104-T128 HydrophobicContact CG2-CG2 3.96Å; V104-I261 HydrophobicContact CB-CD1 3.77Å; V104-I261 HydrophobicContact CG1-CD1 3.78Å
105	G	98.9	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-74.4	-39.2	-179.3	0	0	0	0	0	112.8	A101 C102 A108 G109 R265	A101-G105 VanDerWaalsContact O-CA 3.32Å; A101-G105 WeakPolarHBondContact O-CA 3.41Å; A101-G105 PolarHBondContact O-N 3.01Å; C102-G105 PolarHBondContact O-N 3.26Å; G105-A108 PolarHBondContact O-N 2.9Å; G105-G109 PolarHBondContact O-N 3.04Å; G105-R265 WeakPolarHBondContact O-CA 3.48Å
106	L	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-48.5	172	-68.4	173.7	0	0	0	110.2	C102 A108 G109 I110 L193 L195 I223 V264 T268 M284 L286	C102-L106 WeakPolarHBondContact O-CB 3.49Å; C102-L106 WeakPolarHBondContact O-CG 3.49Å; C102-L106 PolarHBondContact O-N 3.13Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.48Å; L106-G109 PolarHBondContact O-N 2.94Å; L106-G109 VanDerWaalsContact O-N 3.11Å; L106-I110 WeakPolarHBondContact O-CG1 3.2Å; L106-I110 PolarHBondContact O-N 3Å; L106-L193 HydrophobicContact CB-CD1 4.15Å; L106-L193 HydrophobicContact CD2-CD1 4.19Å; L106-L195 HydrophobicContact CD1-CD2 3.72Å; L106-L195 HydrophobicContact CD1-CG 4.36Å; L106-I223 HydrophobicContact CD1-CD1 4.26Å; L106-I223 HydrophobicContact CD2-CD1 3.63Å; L106-V264 HydrophobicContact CD2-CG1 4.19Å; L106-V264 HydrophobicContact CG-CG1 4.12Å; L106-T268 HydrophobicContact CD2-CG2 4.28Å; L106-T268 WeakPolarHBondContact CD2-OG1 3.3Å; L106-M284 HydrophobicContact CD2-CE 3.53Å; L106-L286 HydrophobicContact CD1-CD1 4.24Å; L106-L286 HydrophobicContact CD2-CD1 4.21Å; L106-L286 HydrophobicContact CG-CD1 4.31Å
107	E	98.9	Very high	98.9	Very high	46 Å²	46	17.5 Å²	17.5	22%	0.215	11%	0.106	C	C	.	.	H	α-helix	trans	-57.1	-44.3	176.1	-176	64.1	-145.2	0	0	112.2	C103 G109 I110 T128 R129	C103-E107 WeakPolarHBondContact O-CB 3.49Å; C103-E107 PolarHBondContact O-N 2.77Å; C103-E107 VanDerWaalsContact O-N 3.14Å; E107-G109 PolarHBondContact O-N 2.76Å; E107-I110 PolarHBondContact O-N 3.34Å; E107-T128 HydrophobicContact CB-CG2 4.33Å; E107-T128 VanDerWaalsContact CD-O 3.3Å; E107-R129 IonicContact OE1-CZ 2.98Å; E107-R129 IonicContact OE1-NE 2.69Å; E107-R129 IonicContact OE1-NH2 3.2Å; E107-R129 PolarHBondContact OE1-NH2 2.68Å; E107-R129 IonicContact OE2-CZ 2.9Å; E107-R129 IonicContact OE2-NE 2.9Å; E107-R129 PolarHBondContact OE2-NE 2.8Å; E107-R129 IonicContact OE2-NH2 3.77Å; E107-R129 PolarHBondContact OE2-NH2 3.42Å
108	A	98.9	Very high	98.9	Very high	22 Å²	22	17.5 Å²	17.5	18%	0.182	11%	0.106	C	C	.	.	H	α-helix	trans	-67.2	-15.7	179.5	0	0	0	0	0	114.1	Y66 V104 G105 L106 R265	Y66-A108 HydrophobicContact CD1-CB 4.33Å; Y66-A108 HydrophobicContact CE1-CB 3.51Å; V104-A108 VanDerWaalsContact O-CB 3.29Å; V104-A108 WeakPolarHBondContact O-CB 3.48Å; V104-A108 PolarHBondContact O-N 3.43Å; G105-A108 PolarHBondContact O-N 2.9Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.48Å; A108-R265 HydrophobicContact CB-CB 4.31Å; A108-R265 HydrophobicContact CB-CG 3.77Å
109	G	98.8	Very high	98.8	Very high	10 Å²	10	18.2 Å²	18.2	10%	0.103	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0.1	-178.2	0	0	0	0	0	115.2	G105 L106 E107	G105-G109 PolarHBondContact O-N 3.04Å; L106-G109 PolarHBondContact O-N 2.94Å; L106-G109 VanDerWaalsContact O-N 3.11Å; E107-G109 PolarHBondContact O-N 2.76Å
110	I	98.9	Very high	98.8	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.087	12%	0.117	C	C	.	.	S	Bend	trans	-131.1	172.2	-177	66.9	178	0	0	0	112.1	L106 E107 D114 I116 I191 L193 T268	L106-I110 WeakPolarHBondContact O-CG1 3.2Å; L106-I110 PolarHBondContact O-N 3Å; E107-I110 PolarHBondContact O-N 3.34Å; I110-D114 HydrophobicContact CB-CB 4.17Å; I110-D114 HydrophobicContact CD1-CB 4.27Å; I110-I116 HydrophobicContact CD1-CD1 3.71Å; I110-I116 HydrophobicContact CD1-CG1 3.92Å; I110-I191 HydrophobicContact CG2-CD1 4.16Å; I110-L193 HydrophobicContact CD1-CD1 3.86Å; I110-L193 HydrophobicContact CD1-CG 4.49Å; I110-L193 HydrophobicContact CG2-CD1 3.91Å; I110-L193 HydrophobicContact CG2-CD2 4.34Å; I110-L193 HydrophobicContact CG2-CG 4.34Å; I110-T268 HydrophobicContact CG2-CG2 3.6Å
111	N	98.7	Very high	98.8	Very high	82 Å²	82	21 Å²	21	44%	0.439	12%	0.121	S	C	.	.			trans	-89.4	157.6	172.5	-59.7	-41.8	0	0	0	110.9	T113 D114	N111-T113 WeakPolarHBondContact CB-OG1 3.35Å; N111-T113 PolarHBondContact O-N 3.12Å; N111-D114 WeakPolarHBondContact CA-OD2 3.31Å; N111-D114 WeakPolarHBondContact CB-OD2 3.43Å; N111-D114 PolarHBondContact N-OD2 2.78Å; N111-D114 WeakPolarHBondContact O-CB 3.41Å; N111-D114 PolarHBondContact O-N 3.09Å
112	P	98.4	Very high	98.8	Very high	99 Å²	99	21 Å²	21	64%	0.643	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.6	169.4	-24.8	35.1	0	0	0	113.7	D114 N161	P112-D114 VanDerWaalsContact C-N 3.31Å; P112-N161 PolarHBondContact O-ND2 3.28Å; P112-N161 VanDerWaalsContact O-ND2 3.11Å
113	T	98.8	Very high	98.8	Very high	70 Å²	70	21 Å²	21	43%	0.429	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.2	176.4	54.2	0	0	0	0	113.3	N111 H115 N161	N111-T113 WeakPolarHBondContact CB-OG1 3.35Å; N111-T113 PolarHBondContact O-N 3.12Å; T113-H115 PolarHBondContact O-CD2 2.96Å; T113-H115 PolarHBondContact O-NE2 3.47Å; T113-N161 PolarHBondContact O-ND2 3.05Å
114	D	98.9	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-78.4	163.1	175.6	-63.1	-55.9	0	0	0	112.5	I110 N111 P112 R129 N161 I191 R276	I110-D114 HydrophobicContact CB-CB 4.17Å; I110-D114 HydrophobicContact CD1-CB 4.27Å; N111-D114 WeakPolarHBondContact CA-OD2 3.31Å; N111-D114 WeakPolarHBondContact CB-OD2 3.43Å; N111-D114 PolarHBondContact N-OD2 2.78Å; N111-D114 WeakPolarHBondContact O-CB 3.41Å; N111-D114 PolarHBondContact O-N 3.09Å; P112-D114 VanDerWaalsContact C-N 3.31Å; D114-R129 PolarHBondContact O-NH1 2.77Å; D114-N161 WeakPolarHBondContact O-CB 3.32Å; D114-I191 HydrophobicContact CB-CG1 4.02Å; D114-I191 WeakPolarHBondContact OD1-CG1 3.33Å; D114-I191 PolarHBondContact OD1-N 3.05Å; D114-R276 IonicContact OD1-CZ 3.32Å; D114-R276 VanDerWaalsContact OD1-CZ 3.32Å; D114-R276 IonicContact OD1-NH1 2.76Å; D114-R276 PolarHBondContact OD1-NH1 2.65Å; D114-R276 IonicContact OD1-NH2 3.8Å; D114-R276 PolarHBondContact OD1-NH2 2.76Å; D114-R276 IonicContact OD2-CZ 3.63Å; D114-R276 IonicContact OD2-NH1 3.84Å; D114-R276 IonicContact OD2-NH2 2.8Å; D114-R276 PolarHBondContact OD2-NH2 2.94Å
115	H	98.9	Very high	98.8	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.3	-165.5	-60.8	-81.5	0	0	0	110.7	T113 N161 Y163 V179 R183 E190 I191 C192 L193	T113-H115 PolarHBondContact O-CD2 2.96Å; T113-H115 PolarHBondContact O-NE2 3.47Å; H115-N161 WeakPolarHBondContact CA-O 3.44Å; H115-N161 VanDerWaalsContact CE1-CG 3.5Å; H115-N161 PolarHBondContact CE1-OD1 3.15Å; H115-Y163 HydrophobicContact CB-CD2 4.42Å; H115-Y163 HydrophobicContact CB-CE2 3.75Å; H115-Y163 AromaticContact CG-CE2 3.87Å; H115-Y163 AromaticContact ND1-CE2 3.29Å; H115-Y163 VanDerWaalsContact ND1-CE2 3.29Å; H115-Y163 WeakPolarHBondContact ND1-CE2 3.22Å; H115-Y163 AromaticContact ND1-CZ 3.56Å; H115-Y163 PolarHBondContact ND1-OH 3.07Å; H115-V179 HydrophobicContact CB-CG1 3.59Å; H115-R183 WeakPolarHBondContact NE2-CD 3.45Å; H115-E190 IonicContact NE2-OE2 3.73Å; H115-E190 PolarHBondContact NE2-OE2 3.49Å; H115-I191 PolarHBondContact CD2-O 2.8Å; H115-I191 PolarHBondContact N-O 2.93Å; H115-C192 HydrophobicContact CB-CB 4.12Å; H115-C192 CarbonylContact O-C 3.59Å; H115-C192 WeakPolarHBondContact O-CA 3.38Å; H115-L193 PolarHBondContact O-N 2.89Å
116	I	98.9	Very high	98.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138	175.2	-53.5	-174.7	0	0	0	109.9	I110 L125 R129 N161 F162 Y163 L193 L195	I110-I116 HydrophobicContact CD1-CD1 3.71Å; I110-I116 HydrophobicContact CD1-CG1 3.92Å; I116-L125 HydrophobicContact CD1-CD2 4.28Å; I116-L125 HydrophobicContact CG2-CD2 4.33Å; I116-R129 HydrophobicContact CD1-CG 4Å; I116-N161 PolarHBondContact N-O 3.3Å; I116-F162 HydrophobicContact CB-CD2 4.13Å; I116-F162 HydrophobicContact CG2-CD2 4.22Å; I116-F162 HydrophobicContact CG2-CE2 4.35Å; I116-F162 WeakPolarHBondContact O-CA 3.34Å; I116-Y163 PolarHBondContact O-N 3.04Å; I116-L193 WeakPolarHBondContact CA-O 3.31Å; I116-L193 HydrophobicContact CD1-CD1 4.31Å; I116-L193 HydrophobicContact CG1-CB 4.24Å; I116-L193 HydrophobicContact CG1-CD1 4.22Å; I116-L193 HydrophobicContact CG1-CG 4.42Å; I116-L195 HydrophobicContact CG2-CD1 3.76Å
117	I	98.9	Very high	98.8	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141	166.7	-164	175.1	0	0	0	110.1	N166 Q172 L175 L193 A194 L195	I117-N166 WeakPolarHBondContact CG1-ND2 3.43Å; I117-Q172 HydrophobicContact CD1-CB 3.98Å; I117-Q172 HydrophobicContact CG1-CB 4.04Å; I117-L175 HydrophobicContact CD1-CB 3.64Å; I117-L175 HydrophobicContact CD1-CD1 4.18Å; I117-L193 PolarHBondContact N-O 3.15Å; I117-A194 HydrophobicContact CG2-CB 4.21Å; I117-L195 WeakPolarHBondContact O-CD1 3.21Å; I117-L195 PolarHBondContact O-N 3.4Å
118	T	98.9	Very high	98.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	179	179.1	-167.3	0	0	0	0	112.5	A122 L125 F162 G164 N166 L195	T118-A122 HydrophobicContact CG2-CB 3.82Å; T118-L125 HydrophobicContact CG2-CD1 3.51Å; T118-F162 HydrophobicContact CG2-CE2 4.08Å; T118-F162 HydrophobicContact CG2-CZ 4.16Å; T118-G164 PolarHBondContact N-O 3.14Å; T118-G164 VanDerWaalsContact O-O 3.12Å; T118-N166 WeakPolarHBondContact O-CB 3.09Å; T118-N166 PolarHBondContact O-N 2.69Å; T118-N166 PolarHBondContact O-ND2 3.49Å; T118-L195 WeakPolarHBondContact OG1-CB 3.33Å
119	S	98.5	Very high	98.8	Very high	15 Å²	15	21.6 Å²	21.6	11%	0.105	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-168.5	170.3	-169.5	0	0	0	0	111.3	R121 G165 N166	S119-R121 VanDerWaalsContact C-N 3.29Å; S119-R121 PolarHBondContact O-N 3.14Å; S119-G165 VanDerWaalsContact O-CA 3.25Å; S119-G165 WeakPolarHBondContact O-CA 3.42Å; S119-N166 CarbonylContact C-O 3.54Å; S119-N166 WeakPolarHBondContact CA-O 3.36Å; S119-N166 PolarHBondContact OG-O 2.85Å
120	Y	98.7	Very high	98.8	Very high	37 Å²	37	24.2 Å²	24.2	15%	0.145	15%	0.146	C	C	.	.	S	Bend	trans	-68.4	-11.6	-175.9	47.4	-104.4	0	0	0	116.2	H94 A122 M155 N166 V169 H294	H94-Y120 HydrophobicContact CB-CD2 4Å; H94-Y120 AromaticContact CD2-CD2 3.52Å; H94-Y120 AromaticContact CD2-CE2 3.51Å; H94-Y120 AromaticContact CE1-CD2 3.5Å; H94-Y120 AromaticContact CE1-CG 3.9Å; H94-Y120 AromaticContact CG-CD2 3.42Å; H94-Y120 VanDerWaalsContact CG-CD2 3.42Å; H94-Y120 AromaticContact CG-CE2 3.89Å; H94-Y120 AromaticContact ND1-CD2 3.41Å; H94-Y120 WeakPolarHBondContact ND1-CD2 3.25Å; H94-Y120 AromaticContact ND1-CG 3.97Å; H94-Y120 AromaticContact NE2-CD2 3.62Å; H94-Y120 AromaticContact NE2-CE2 3.67Å; Y120-A122 PolarHBondContact O-N 2.96Å; Y120-A122 VanDerWaalsContact O-N 3.09Å; Y120-M155 HydrophobicContact CG-SD 4.43Å; Y120-N166 PolarHBondContact N-O 3.26Å; Y120-N166 VanDerWaalsContact N-O 3.09Å; Y120-V169 HydrophobicContact CE1-CG2 4.14Å; Y120-H294 AromaticContact CE2-CE1 3.94Å; Y120-H294 AromaticContact CZ-CE1 3.85Å; Y120-H294 PolarHBondContact OH-CE1 2.92Å
121	R	98.8	Very high	98.8	Very high	25 Å²	25	24.9 Å²	24.9	9%	0.094	15%	0.15	C	C	.	.			trans	-87	63.7	177.2	-168.3	-177.5	-57.9	-75	-9.3	110.2	H94 L95 C96 S119 H294	H94-R121 HydrophobicContact CB-CB 4.26Å; H94-R121 HydrophobicContact CB-CG 4.34Å; L95-R121 PolarHBondContact O-NH1 3.13Å; C96-R121 HydrophobicContact CB-CG 3.85Å; S119-R121 VanDerWaalsContact C-N 3.29Å; S119-R121 PolarHBondContact O-N 3.14Å; R121-H294 PolarHBondContact NH1-O 2.79Å; R121-H294 PolarHBondContact NH2-O 3.44Å
122	A	98.8	Very high	98.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	15%	0.148	C	C	.	.			trans	-108.8	-7.4	-159.8	0	0	0	0	0	115.9	T118 Y120 G124 L125 C126 F162	T118-A122 HydrophobicContact CG2-CB 3.82Å; Y120-A122 PolarHBondContact O-N 2.96Å; Y120-A122 VanDerWaalsContact O-N 3.09Å; A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 3.27Å; A122-L125 WeakPolarHBondContact O-CA 3.25Å; A122-L125 PolarHBondContact O-N 2.98Å; A122-C126 PolarHBondContact O-N 2.9Å; A122-C126 PolarHBondContact O-SG 3.29Å; A122-F162 HydrophobicContact CB-CZ 4.13Å
123	H	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-40.7	-167.2	-44.8	151.7	0	0	0	113.3	M76 E77 L125 C126 Y127 I136 S154	M76-H123 HydrophobicContact CE-CB 3.77Å; E77-H123 WeakPolarHBondContact OE1-CB 3.48Å; E77-H123 IonicContact OE1-CG 3.54Å; E77-H123 IonicContact OE1-ND1 3.7Å; E77-H123 PolarHBondContact OE1-ND1 3.12Å; E77-H123 IonicContact OE2-CE1 3.37Å; E77-H123 IonicContact OE2-CG 2.8Å; E77-H123 IonicContact OE2-ND1 3.67Å; E77-H123 PolarHBondContact OE2-ND1 3.19Å; H123-L125 PolarHBondContact O-N 3.34Å; H123-C126 WeakPolarHBondContact O-CB 3.47Å; H123-C126 PolarHBondContact O-N 2.69Å; H123-Y127 PolarHBondContact O-N 2.97Å; H123-Y127 VanDerWaalsContact O-N 3.09Å; H123-I136 HydrophobicContact CB-CG2 4.44Å; H123-S154 PolarHBondContact NE2-OG 3.18Å
124	G	98.9	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-37.3	175.1	0	0	0	0	0	113.7	A122 Y127 T128	A122-G124 VanDerWaalsContact C-N 3.33Å; A122-G124 PolarHBondContact O-N 3.27Å; G124-Y127 PolarHBondContact O-N 3.46Å; G124-T128 WeakPolarHBondContact O-CG2 3.33Å; G124-T128 PolarHBondContact O-N 3.05Å; G124-T128 PolarHBondContact O-OG1 3.19Å
125	L	98.8	Very high	98.8	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-71.8	-37.4	175.2	-72.9	165.9	0	0	0	112.2	C103 I116 T118 A122 H123 Y127 T128 R129 F162 L195	C103-L125 HydrophobicContact CB-CD2 3.73Å; C103-L125 HydrophobicContact CB-CG 3.89Å; I116-L125 HydrophobicContact CD1-CD2 4.28Å; I116-L125 HydrophobicContact CG2-CD2 4.33Å; T118-L125 HydrophobicContact CG2-CD1 3.51Å; A122-L125 WeakPolarHBondContact O-CA 3.25Å; A122-L125 PolarHBondContact O-N 2.98Å; H123-L125 PolarHBondContact O-N 3.34Å; L125-Y127 VanDerWaalsContact C-N 3.29Å; L125-Y127 PolarHBondContact O-N 3.11Å; L125-T128 VanDerWaalsContact CA-OG1 3.28Å; L125-T128 WeakPolarHBondContact CA-OG1 3.38Å; L125-T128 PolarHBondContact O-N 2.95Å; L125-T128 PolarHBondContact O-OG1 3.47Å; L125-R129 VanDerWaalsContact O-CB 3.23Å; L125-R129 WeakPolarHBondContact O-CB 3.48Å; L125-R129 WeakPolarHBondContact O-CG 3.3Å; L125-R129 PolarHBondContact O-N 2.96Å; L125-F162 HydrophobicContact CB-CE2 3.9Å; L125-F162 HydrophobicContact CB-CZ 4.14Å; L125-L195 HydrophobicContact CD1-CD2 3.61Å
126	C	98.8	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-54.7	-47.9	170.7	-66.6	0	0	0	0	111.1	A122 H123 G130 L131 I136 M157 F162	A122-C126 PolarHBondContact O-N 2.9Å; A122-C126 PolarHBondContact O-SG 3.29Å; H123-C126 WeakPolarHBondContact O-CB 3.47Å; H123-C126 PolarHBondContact O-N 2.69Å; C126-G130 PolarHBondContact O-N 3.5Å; C126-L131 HydrophobicContact CB-CB 4.5Å; C126-L131 HydrophobicContact CB-CD1 4.03Å; C126-L131 VanDerWaalsContact O-CB 3.3Å; C126-L131 WeakPolarHBondContact O-CB 3.27Å; C126-L131 PolarHBondContact O-N 3.11Å; C126-I136 HydrophobicContact CB-CD1 3.75Å; C126-I136 HydrophobicContact CB-CG1 4.08Å; C126-M157 HydrophobicContact CB-SD 4.5Å; C126-M157 VanDerWaalsContact SG-CB 3.51Å; C126-F162 HydrophobicContact CB-CE1 4.46Å; C126-F162 WeakPolarHBondContact SG-CE1 3.27Å
127	Y	98.9	Very high	98.8	Very high	46 Å²	46	21.4 Å²	21.4	18%	0.18	12%	0.124	C	C	.	.	H	α-helix	trans	-66	-49.8	180	173.1	-101.9	0	0	0	112.2	A69 V72 I73 H123 G124 L125 R129 G130 L131 V133	A69-Y127 HydrophobicContact CB-CE1 4.18Å; V72-Y127 HydrophobicContact CB-CE1 4.05Å; V72-Y127 HydrophobicContact CB-CE2 4.32Å; V72-Y127 HydrophobicContact CG1-CD1 4.39Å; V72-Y127 HydrophobicContact CG1-CD2 3.96Å; V72-Y127 HydrophobicContact CG1-CE1 3.99Å; V72-Y127 HydrophobicContact CG1-CE2 3.51Å; V72-Y127 HydrophobicContact CG1-CG 4.38Å; I73-Y127 HydrophobicContact CD1-CD1 4.03Å; I73-Y127 HydrophobicContact CG1-CD1 3.7Å; I73-Y127 HydrophobicContact CG1-CE1 4.38Å; I73-Y127 HydrophobicContact CG1-CG 4.35Å; H123-Y127 PolarHBondContact O-N 2.97Å; H123-Y127 VanDerWaalsContact O-N 3.09Å; G124-Y127 PolarHBondContact O-N 3.46Å; L125-Y127 VanDerWaalsContact C-N 3.29Å; L125-Y127 PolarHBondContact O-N 3.11Å; Y127-R129 VanDerWaalsContact C-N 3.28Å; Y127-R129 PolarHBondContact O-N 2.94Å; Y127-G130 PolarHBondContact O-N 3.22Å; Y127-L131 WeakPolarHBondContact CA-O 3.46Å; Y127-V133 HydrophobicContact CD2-CG2 4.03Å; Y127-V133 HydrophobicContact CE2-CG2 4.06Å
128	T	98.8	Very high	98.8	Very high	20 Å²	20	21.3 Å²	21.3	12%	0.123	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-31.8	-179.5	46.7	0	0	0	0	112.9	I73 V104 E107 G124 L125 G130	I73-T128 HydrophobicContact CD1-CG2 4.06Å; V104-T128 HydrophobicContact CG2-CG2 3.96Å; E107-T128 HydrophobicContact CB-CG2 4.33Å; E107-T128 VanDerWaalsContact CD-O 3.3Å; G124-T128 WeakPolarHBondContact O-CG2 3.33Å; G124-T128 PolarHBondContact O-N 3.05Å; G124-T128 PolarHBondContact O-OG1 3.19Å; L125-T128 VanDerWaalsContact CA-OG1 3.28Å; L125-T128 WeakPolarHBondContact CA-OG1 3.38Å; L125-T128 PolarHBondContact O-N 2.95Å; L125-T128 PolarHBondContact O-OG1 3.47Å; T128-G130 PolarHBondContact O-N 3.22Å
129	R	98.8	Very high	98.8	Very high	21 Å²	21	21.2 Å²	21.2	8%	0.079	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	11.3	172.1	-67.9	-80.6	96.8	168.8	-1.5	114.3	E107 D114 I116 L125 Y127 F162	E107-R129 IonicContact OE1-CZ 2.98Å; E107-R129 IonicContact OE1-NE 2.69Å; E107-R129 IonicContact OE1-NH2 3.2Å; E107-R129 PolarHBondContact OE1-NH2 2.68Å; E107-R129 IonicContact OE2-CZ 2.9Å; E107-R129 IonicContact OE2-NE 2.9Å; E107-R129 PolarHBondContact OE2-NE 2.8Å; E107-R129 IonicContact OE2-NH2 3.77Å; E107-R129 PolarHBondContact OE2-NH2 3.42Å; D114-R129 PolarHBondContact O-NH1 2.77Å; I116-R129 HydrophobicContact CD1-CG 4Å; L125-R129 VanDerWaalsContact O-CB 3.23Å; L125-R129 WeakPolarHBondContact O-CB 3.48Å; L125-R129 WeakPolarHBondContact O-CG 3.3Å; L125-R129 PolarHBondContact O-N 2.96Å; Y127-R129 VanDerWaalsContact C-N 3.28Å; Y127-R129 PolarHBondContact O-N 2.94Å; R129-F162 HydrophobicContact CB-CB 3.79Å; R129-F162 HydrophobicContact CB-CG 4.14Å; R129-F162 HydrophobicContact CG-CB 3.87Å; R129-F162 HydrophobicContact CG-CD2 4.1Å; R129-F162 HydrophobicContact CG-CG 4.1Å
130	G	98.4	Very high	98.8	Very high	65 Å²	65	21 Å²	21	67%	0.67	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.7	5.3	164	0	0	0	0	0	116.2	C126 Y127 T128	C126-G130 PolarHBondContact O-N 3.5Å; Y127-G130 PolarHBondContact O-N 3.22Å; T128-G130 PolarHBondContact O-N 3.22Å
131	L	98.8	Very high	98.8	Very high	31 Å²	31	19.8 Å²	19.8	16%	0.162	12%	0.117	C	C	.	.			trans	-73.5	138.8	168.8	-62.2	-174.3	0	0	0	110.4	C126 Y127 I136 C147	C126-L131 HydrophobicContact CB-CB 4.5Å; C126-L131 HydrophobicContact CB-CD1 4.03Å; C126-L131 VanDerWaalsContact O-CB 3.3Å; C126-L131 WeakPolarHBondContact O-CB 3.27Å; C126-L131 PolarHBondContact O-N 3.11Å; Y127-L131 WeakPolarHBondContact CA-O 3.46Å; L131-I136 HydrophobicContact CB-CD1 4.08Å; L131-I136 HydrophobicContact CB-CG1 4Å; L131-C147 HydrophobicContact CD1-CB 3.83Å; L131-C147 HydrophobicContact CD2-CB 4.33Å
132	S	98.8	Very high	98.8	Very high	58 Å²	58	19.8 Å²	19.8	41%	0.406	13%	0.125	S	C	.	.			trans	-72.1	150.2	175.8	70.5	0	0	0	0	111.5	K134 S135 I136	S132-K134 PolarHBondContact O-N 2.98Å; S132-S135 PolarHBondContact N-OG 3.15Å; S132-S135 PolarHBondContact O-N 3.37Å; S132-S135 VanDerWaalsContact O-N 3.1Å; S132-S135 PolarHBondContact O-OG 2.93Å; S132-S135 WeakPolarHBondContact OG-CB 3.3Å; S132-S135 PolarHBondContact OG-N 2.78Å; S132-S135 PolarHBondContact OG-OG 2.82Å; S132-I136 WeakPolarHBondContact O-CG1 3.43Å; S132-I136 PolarHBondContact O-N 3.4Å
133	V	98.9	Very high	98.8	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-53	-40.1	170.6	-178.2	0	0	0	0	110.6	V72 M76 Y127 S135 I136 L137 V348 A351	V72-V133 HydrophobicContact CG1-CG2 3.4Å; M76-V133 HydrophobicContact CB-CG1 4.33Å; M76-V133 HydrophobicContact CG-CG1 4.09Å; M76-V133 HydrophobicContact SD-CG1 4.14Å; M76-V133 HydrophobicContact SD-CG2 4.41Å; Y127-V133 HydrophobicContact CD2-CG2 4.03Å; Y127-V133 HydrophobicContact CE2-CG2 4.06Å; V133-S135 PolarHBondContact O-N 3.27Å; V133-I136 PolarHBondContact O-N 3.43Å; V133-L137 HydrophobicContact CG1-CD1 3.88Å; V133-L137 HydrophobicContact CG1-CG 4.06Å; V133-L137 WeakPolarHBondContact O-CB 3.34Å; V133-L137 WeakPolarHBondContact O-CG 3.46Å; V133-L137 PolarHBondContact O-N 3.36Å; V133-V348 HydrophobicContact CG1-CG2 4.23Å; V133-A351 HydrophobicContact CB-CB 4.1Å; V133-A351 HydrophobicContact CG1-CB 3.67Å
134	K	98.8	Very high	98.8	Very high	101 Å²	101	26.4 Å²	26.4	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-54.7	-51.9	176	-179.1	-178.6	169.3	173.2	0	112.3	S132 A138 A351 F354	S132-K134 PolarHBondContact O-N 2.98Å; K134-A138 VanDerWaalsContact O-CB 3.23Å; K134-A138 WeakPolarHBondContact O-CB 3.29Å; K134-A138 PolarHBondContact O-N 2.87Å; K134-A351 HydrophobicContact CB-CB 4.24Å; K134-F354 HydrophobicContact CD-CD1 3.94Å; K134-F354 HydrophobicContact CD-CD2 4.48Å; K134-F354 HydrophobicContact CD-CE1 4.2Å; K134-F354 HydrophobicContact CD-CG 4.08Å; K134-F354 HydrophobicContact CG-CB 4.3Å; K134-F354 HydrophobicContact CG-CD1 3.35Å; K134-F354 HydrophobicContact CG-CE1 3.77Å; K134-F354 HydrophobicContact CG-CG 3.87Å
135	S	98.8	Very high	98.8	Very high	19 Å²	19	27.9 Å²	27.9	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-32.4	179.5	50.6	0	0	0	0	113.2	S132 V133 E139 G146 C147	S132-S135 PolarHBondContact N-OG 3.15Å; S132-S135 PolarHBondContact O-N 3.37Å; S132-S135 VanDerWaalsContact O-N 3.1Å; S132-S135 PolarHBondContact O-OG 2.93Å; S132-S135 WeakPolarHBondContact OG-CB 3.3Å; S132-S135 PolarHBondContact OG-N 2.78Å; S132-S135 PolarHBondContact OG-OG 2.82Å; V133-S135 PolarHBondContact O-N 3.27Å; S135-E139 WeakPolarHBondContact O-CB 3.43Å; S135-E139 PolarHBondContact O-N 2.92Å; S135-E139 VanDerWaalsContact O-N 3.14Å; S135-G146 WeakPolarHBondContact O-CA 3.12Å; S135-C147 PolarHBondContact O-N 3.16Å
136	I	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.1	-51.4	177.8	-66	165.4	0	0	0	110.1	M76 H123 C126 L131 S132 V133 A138 E139 L140 M157	M76-I136 HydrophobicContact CE-CD1 4.29Å; M76-I136 HydrophobicContact CE-CG2 4.47Å; M76-I136 HydrophobicContact SD-CB 4.06Å; M76-I136 HydrophobicContact SD-CD1 3.85Å; M76-I136 HydrophobicContact SD-CG2 3.71Å; H123-I136 HydrophobicContact CB-CG2 4.44Å; C126-I136 HydrophobicContact CB-CD1 3.75Å; C126-I136 HydrophobicContact CB-CG1 4.08Å; L131-I136 HydrophobicContact CB-CD1 4.08Å; L131-I136 HydrophobicContact CB-CG1 4Å; S132-I136 WeakPolarHBondContact O-CG1 3.43Å; S132-I136 PolarHBondContact O-N 3.4Å; V133-I136 PolarHBondContact O-N 3.43Å; I136-A138 VanDerWaalsContact C-N 3.33Å; I136-A138 PolarHBondContact O-N 2.89Å; I136-E139 WeakPolarHBondContact O-CB 3.49Å; I136-E139 PolarHBondContact O-N 3.25Å; I136-E139 VanDerWaalsContact O-N 3.16Å; I136-L140 HydrophobicContact CG2-CD1 4.33Å; I136-L140 WeakPolarHBondContact O-CG 3.5Å; I136-L140 PolarHBondContact O-N 2.81Å; I136-M157 HydrophobicContact CB-SD 4.43Å; I136-M157 HydrophobicContact CG1-SD 4.32Å; I136-M157 HydrophobicContact CG2-CE 4.09Å; I136-M157 HydrophobicContact CG2-SD 3.94Å
137	L	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-38	179.4	-68	-175.4	0	0	0	112	M76 K79 S80 V133 E139 L140 T141 A351 A352 A355	M76-L137 HydrophobicContact CG-CD2 4.04Å; M76-L137 HydrophobicContact CG-CG 4.48Å; K79-L137 HydrophobicContact CG-CD1 4.19Å; S80-L137 WeakPolarHBondContact OG-CD2 3.42Å; V133-L137 HydrophobicContact CG1-CD1 3.88Å; V133-L137 HydrophobicContact CG1-CG 4.06Å; V133-L137 WeakPolarHBondContact O-CB 3.34Å; V133-L137 WeakPolarHBondContact O-CG 3.46Å; V133-L137 PolarHBondContact O-N 3.36Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 2.88Å; L137-L140 HydrophobicContact CD2-CD1 4.04Å; L137-L140 PolarHBondContact O-N 2.97Å; L137-T141 PolarHBondContact O-N 3.35Å; L137-T141 PolarHBondContact O-OG1 2.86Å; L137-T141 VanDerWaalsContact O-OG1 3.11Å; L137-A351 HydrophobicContact CD1-CB 3.95Å; L137-A352 HydrophobicContact CD1-CB 4.12Å; L137-A355 HydrophobicContact CB-CB 3.74Å
138	A	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-33.8	175.1	0	0	0	0	0	112.6	K134 I136 T141 G142 R143 F354 A355	K134-A138 VanDerWaalsContact O-CB 3.23Å; K134-A138 WeakPolarHBondContact O-CB 3.29Å; K134-A138 PolarHBondContact O-N 2.87Å; I136-A138 VanDerWaalsContact C-N 3.33Å; I136-A138 PolarHBondContact O-N 2.89Å; A138-T141 WeakPolarHBondContact CA-OG1 3.39Å; A138-T141 PolarHBondContact O-OG1 2.93Å; A138-G142 PolarHBondContact O-N 2.94Å; A138-R143 HydrophobicContact CB-CB 4.5Å; A138-R143 PolarHBondContact O-N 3.07Å; A138-F354 HydrophobicContact CB-CD1 4.27Å; A138-F354 HydrophobicContact CB-CE1 3.93Å; A138-A355 HydrophobicContact CB-CB 4.4Å
139	E	98.9	Very high	98.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-40.6	173.3	-172.3	60.9	-146.8	0	0	111.3	S135 I136 L137 T141 G142 G146 C147 A148 K149 G150 K151 G152 G153 M157	S135-E139 WeakPolarHBondContact O-CB 3.43Å; S135-E139 PolarHBondContact O-N 2.92Å; S135-E139 VanDerWaalsContact O-N 3.14Å; I136-E139 WeakPolarHBondContact O-CB 3.49Å; I136-E139 PolarHBondContact O-N 3.25Å; I136-E139 VanDerWaalsContact O-N 3.16Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 2.88Å; E139-T141 VanDerWaalsContact C-N 3.28Å; E139-T141 PolarHBondContact O-N 3Å; E139-G142 PolarHBondContact O-N 2.67Å; E139-G146 VanDerWaalsContact OE2-C 3.29Å; E139-G146 WeakPolarHBondContact OE2-CA 3.34Å; E139-C147 PolarHBondContact OE2-N 3.32Å; E139-A148 VanDerWaalsContact OE2-C 3.23Å; E139-A148 WeakPolarHBondContact OE2-CA 3.35Å; E139-A148 PolarHBondContact OE2-N 2.89Å; E139-K149 PolarHBondContact OE2-N 3.21Å; E139-G150 VanDerWaalsContact OE1-CA 3.32Å; E139-G150 WeakPolarHBondContact OE1-CA 3.25Å; E139-G150 PolarHBondContact OE1-N 2.93Å; E139-G150 PolarHBondContact OE2-N 3.49Å; E139-K151 PolarHBondContact OE1-N 3.03Å; E139-G152 WeakPolarHBondContact OE1-CA 3.34Å; E139-G152 PolarHBondContact OE1-N 3.04Å; E139-G153 PolarHBondContact OE1-N 2.88Å; E139-M157 HydrophobicContact CB-CE 4.01Å; E139-M157 HydrophobicContact CG-CE 4.01Å; E139-M157 HydrophobicContact CG-CG 4.14Å
140	L	98.9	Very high	98.7	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-36.3	175.7	-68.3	173.1	0	0	0	112.6	S80 I89 I136 L137 G142 S154 M157	S80-L140 WeakPolarHBondContact OG-CD1 3.45Å; I89-L140 HydrophobicContact CD1-CB 3.74Å; I89-L140 HydrophobicContact CD1-CD1 4.21Å; I89-L140 HydrophobicContact CG1-CB 3.93Å; I89-L140 HydrophobicContact CG2-CB 4.33Å; I89-L140 WeakPolarHBondContact CG2-O 3.33Å; I136-L140 HydrophobicContact CG2-CD1 4.33Å; I136-L140 WeakPolarHBondContact O-CG 3.5Å; I136-L140 PolarHBondContact O-N 2.81Å; L137-L140 HydrophobicContact CD2-CD1 4.04Å; L137-L140 PolarHBondContact O-N 2.97Å; L140-G142 VanDerWaalsContact C-N 3.28Å; L140-S154 VanDerWaalsContact CD2-CA 3.43Å; L140-S154 VanDerWaalsContact CD2-CB 3.44Å; L140-M157 HydrophobicContact CD2-CE 3.76Å; L140-M157 HydrophobicContact CG-CE 3.85Å
141	T	98.9	Very high	98.8	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.074	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.7	175.6	54.8	0	0	0	0	114.2	M83 F88 I89 L137 A138 E139 R143 A355	M83-T141 HydrophobicContact CE-CG2 3.16Å; F88-T141 HydrophobicContact CB-CG2 4.04Å; F88-T141 WeakPolarHBondContact O-CA 3.29Å; I89-T141 HydrophobicContact CG1-CG2 4.02Å; L137-T141 PolarHBondContact O-N 3.35Å; L137-T141 PolarHBondContact O-OG1 2.86Å; L137-T141 VanDerWaalsContact O-OG1 3.11Å; A138-T141 WeakPolarHBondContact CA-OG1 3.39Å; A138-T141 PolarHBondContact O-OG1 2.93Å; E139-T141 VanDerWaalsContact C-N 3.28Å; E139-T141 PolarHBondContact O-N 3Å; T141-R143 WeakPolarHBondContact O-CD 3.4Å; T141-R143 PolarHBondContact O-NE 3.14Å; T141-R143 VanDerWaalsContact O-NE 3.09Å; T141-R143 VanDerWaalsContact OG1-CG 3.32Å; T141-R143 WeakPolarHBondContact OG1-CG 3.26Å; T141-A355 WeakPolarHBondContact CB-O 3.31Å; T141-A355 HydrophobicContact CG2-CB 4.27Å; T141-A355 PolarHBondContact OG1-O 3.45Å
142	G	98.8	Very high	98.8	Very high	25 Å²	25	33.6 Å²	33.6	26%	0.258	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	33.2	175.1	0	0	0	0	0	114.1	A138 E139 L140 P361	A138-G142 PolarHBondContact O-N 2.94Å; E139-G142 PolarHBondContact O-N 2.67Å; L140-G142 VanDerWaalsContact C-N 3.28Å; G142-P361 VanDerWaalsContact O-CD 3.25Å; G142-P361 WeakPolarHBondContact O-CD 3.33Å
143	R	98.8	Very high	98.7	Very high	35 Å²	35	31.9 Å²	31.9	13%	0.132	19%	0.188	C	C	.	.			trans	-98.6	159.6	-176.7	-48.8	-52.4	178.1	80.8	-1.1	112.3	A138 T141 G145 G146 K149 G150 A355 T356 D358	A138-R143 HydrophobicContact CB-CB 4.5Å; A138-R143 PolarHBondContact O-N 3.07Å; T141-R143 WeakPolarHBondContact O-CD 3.4Å; T141-R143 PolarHBondContact O-NE 3.14Å; T141-R143 VanDerWaalsContact O-NE 3.09Å; T141-R143 VanDerWaalsContact OG1-CG 3.32Å; T141-R143 WeakPolarHBondContact OG1-CG 3.26Å; R143-G145 PolarHBondContact O-N 3.47Å; R143-G146 PolarHBondContact O-N 2.91Å; R143-K149 CarbonylContact O-C 3.44Å; R143-G150 PolarHBondContact O-N 3.45Å; R143-A355 WeakPolarHBondContact CG-O 3.42Å; R143-A355 PolarHBondContact NH1-O 3.37Å; R143-T356 PolarHBondContact NH1-O 3.31Å; R143-T356 PolarHBondContact NH2-O 2.91Å; R143-D358 HydrophobicContact CB-CB 4.05Å; R143-D358 VanDerWaalsContact CB-OD2 3.31Å; R143-D358 WeakPolarHBondContact CB-OD2 3.35Å; R143-D358 WeakPolarHBondContact CD-O 3.49Å; R143-D358 HydrophobicContact CG-CB 4.36Å; R143-D358 WeakPolarHBondContact CG-O 3.47Å; R143-D358 PolarHBondContact NH1-O 2.71Å
144	K	98.6	Very high	98.7	Very high	105 Å²	105	32.1 Å²	32.1	46%	0.457	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.7	-176.9	73.7	-179.4	-176.1	-173.8	0	113.4	G146 P359 P361	K144-G146 PolarHBondContact O-N 3.04Å; K144-P359 HydrophobicContact CD-CG 3.87Å; K144-P359 VanDerWaalsContact CE-CG 3.42Å; K144-P359 HydrophobicContact CG-CG 4.47Å; K144-P359 PolarHBondContact N-O 3.15Å; K144-P359 VanDerWaalsContact N-O 3.09Å; K144-P361 HydrophobicContact CB-CG 4.38Å
145	G	98.6	Very high	98.7	Very high	31 Å²	31	29 Å²	29	32%	0.32	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1.4	176	0	0	0	0	0	114.5	R143 D358	R143-G145 PolarHBondContact O-N 3.47Å; G145-D358 VanDerWaalsContact CA-OD2 3.3Å; G145-D358 WeakPolarHBondContact CA-OD2 3.4Å; G145-D358 PolarHBondContact N-OD2 3.49Å
146	G	98.8	Very high	98.7	Very high	7 Å²	7	31.2 Å²	31.2	7%	0.072	19%	0.185	C	C	.	.	S	Bend	trans	-63.6	155	171.5	0	0	0	0	0	112.7	S135 E139 R143 K144 A148 K149	S135-G146 WeakPolarHBondContact O-CA 3.12Å; E139-G146 VanDerWaalsContact OE2-C 3.29Å; E139-G146 WeakPolarHBondContact OE2-CA 3.34Å; R143-G146 PolarHBondContact O-N 2.91Å; K144-G146 PolarHBondContact O-N 3.04Å; G146-A148 PolarHBondContact O-N 3.1Å; G146-A148 VanDerWaalsContact O-N 3.15Å; G146-K149 PolarHBondContact O-N 3.3Å
147	C	98.6	Very high	98.7	Very high	41 Å²	41	31.2 Å²	31.2	28%	0.277	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.4	-179.2	60	0	0	0	0	114.1	L131 S135 E139	L131-C147 HydrophobicContact CD1-CB 3.83Å; L131-C147 HydrophobicContact CD2-CB 4.33Å; S135-C147 PolarHBondContact O-N 3.16Å; E139-C147 PolarHBondContact OE2-N 3.32Å
148	A	98.5	Very high	98.7	Very high	28 Å²	28	36.8 Å²	36.8	23%	0.231	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	24.7	171.3	0	0	0	0	0	111.7	E139 G146 G150 K151	E139-A148 VanDerWaalsContact OE2-C 3.23Å; E139-A148 WeakPolarHBondContact OE2-CA 3.35Å; E139-A148 PolarHBondContact OE2-N 2.89Å; G146-A148 PolarHBondContact O-N 3.1Å; G146-A148 VanDerWaalsContact O-N 3.15Å; A148-G150 PolarHBondContact O-N 2.76Å; A148-K151 WeakPolarHBondContact O-CB 3.43Å; A148-K151 PolarHBondContact O-N 2.86Å
149	K	98.6	Very high	98.7	Very high	87 Å²	87	38 Å²	38	38%	0.378	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	35	179.6	-51.3	177.6	-177	177.1	0	113.2	E139 R143 G146 K151 P361 H369	E139-K149 PolarHBondContact OE2-N 3.21Å; R143-K149 CarbonylContact O-C 3.44Å; G146-K149 PolarHBondContact O-N 3.3Å; K149-K151 PolarHBondContact O-N 3.06Å; K149-P361 WeakPolarHBondContact O-CG 3.49Å; K149-H369 PolarHBondContact NZ-NE2 3.14Å
150	G	98.5	Very high	98.6	Very high	24 Å²	24	45.9 Å²	45.9	25%	0.247	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	8.7	-179.4	0	0	0	0	0	114.7	E139 R143 A148	E139-G150 VanDerWaalsContact OE1-CA 3.32Å; E139-G150 WeakPolarHBondContact OE1-CA 3.25Å; E139-G150 PolarHBondContact OE1-N 2.93Å; E139-G150 PolarHBondContact OE2-N 3.49Å; R143-G150 PolarHBondContact O-N 3.45Å; A148-G150 PolarHBondContact O-N 2.76Å
151	K	98.7	Very high	98.6	Very high	101 Å²	101	46.6 Å²	46.6	44%	0.439	26%	0.258	S	S	.	.	S	Bend	trans	-83.8	-24.8	177.7	-62.5	-65.2	-176.3	77.7	0	112.9	E139 A148 K149 E365 L366	E139-K151 PolarHBondContact OE1-N 3.03Å; A148-K151 WeakPolarHBondContact O-CB 3.43Å; A148-K151 PolarHBondContact O-N 2.86Å; K149-K151 PolarHBondContact O-N 3.06Å; K151-E365 PolarHBondContact NZ-O 2.83Å; K151-L366 PolarHBondContact NZ-O 3.16Å
152	G	98.6	Very high	98.6	Very high	20 Å²	20	46.2 Å²	46.2	21%	0.206	26%	0.255	C	S	.	.	S	Bend	trans	-99.1	-42.2	-171.3	0	0	0	0	0	114	E139 H156	E139-G152 WeakPolarHBondContact OE1-CA 3.34Å; E139-G152 PolarHBondContact OE1-N 3.04Å; G152-H156 PolarHBondContact O-CD2 3.14Å
153	G	98.7	Very high	98.6	Very high	21 Å²	21	48.9 Å²	48.9	22%	0.216	26%	0.258	C	S	.	.			trans	67.6	-156.7	-172.1	0	0	0	0	0	113.1	E139 M155 H156	E139-G153 PolarHBondContact OE1-N 2.88Å; G153-M155 VanDerWaalsContact C-N 3.32Å; G153-M155 PolarHBondContact O-N 3.39Å; G153-H156 PolarHBondContact O-N 3.13Å
154	S	98.8	Very high	98.5	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-40	-172.9	175.5	0	0	0	0	114.3	F92 H123 L140	F92-S154 WeakPolarHBondContact O-CB 3.25Å; H123-S154 PolarHBondContact NE2-OG 3.18Å; L140-S154 VanDerWaalsContact CD2-CA 3.43Å; L140-S154 VanDerWaalsContact CD2-CB 3.44Å
155	M	98.8	Very high	98.5	Very high	36 Å²	36	42.2 Å²	42.2	18%	0.177	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.8	-168.4	-56.7	-167.5	-65.6	0	0	113.4	F92 Y120 G153 G165	F92-M155 HydrophobicContact CB-CE 4.27Å; F92-M155 HydrophobicContact CB-CG 4.05Å; F92-M155 HydrophobicContact CB-SD 3.82Å; F92-M155 HydrophobicContact CD2-CE 3.53Å; F92-M155 HydrophobicContact CD2-SD 3.84Å; F92-M155 HydrophobicContact CE2-CE 4.23Å; F92-M155 HydrophobicContact CG-CE 4.18Å; F92-M155 HydrophobicContact CG-SD 3.91Å; Y120-M155 HydrophobicContact CG-SD 4.43Å; G153-M155 VanDerWaalsContact C-N 3.32Å; G153-M155 PolarHBondContact O-N 3.39Å; M155-G165 CarbonylContact O-C 3.57Å; M155-G165 WeakPolarHBondContact O-CA 3.29Å
156	H	98.9	Very high	98.5	Very high	64 Å²	64	41.8 Å²	41.8	30%	0.296	22%	0.22	S	C	.	.			trans	-129.9	71.8	-165.9	-56.7	-57.6	0	0	0	111.8	G152 G153 Y158 G165	G152-H156 PolarHBondContact O-CD2 3.14Å; G153-H156 PolarHBondContact O-N 3.13Å; H156-Y158 HydrophobicContact CB-CE2 4.22Å; H156-G165 PolarHBondContact ND1-O 2.9Å
157	M	98.8	Very high	98.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.228	C	C	.	.			trans	-114.3	139.6	174.4	-59.7	-174.5	-168	0	0	109.1	C126 I136 E139 L140 F162 G164 G165	C126-M157 HydrophobicContact CB-SD 4.5Å; C126-M157 VanDerWaalsContact SG-CB 3.51Å; I136-M157 HydrophobicContact CB-SD 4.43Å; I136-M157 HydrophobicContact CG1-SD 4.32Å; I136-M157 HydrophobicContact CG2-CE 4.09Å; I136-M157 HydrophobicContact CG2-SD 3.94Å; E139-M157 HydrophobicContact CB-CE 4.01Å; E139-M157 HydrophobicContact CG-CE 4.01Å; E139-M157 HydrophobicContact CG-CG 4.14Å; L140-M157 HydrophobicContact CD2-CE 3.76Å; L140-M157 HydrophobicContact CG-CE 3.85Å; M157-F162 WeakPolarHBondContact O-CE1 3.33Å; M157-G164 WeakPolarHBondContact O-CA 3.22Å; M157-G165 PolarHBondContact O-N 2.94Å
158	Y	98.8	Very high	98.4	Very high	116 Å²	116	46.5 Å²	46.5	46%	0.455	25%	0.245	S	C	.	.			trans	-130.5	153.5	-176.9	-57.3	-93.6	0	0	0	110.3	H156 Y163	H156-Y158 HydrophobicContact CB-CE2 4.22Å; Y158-Y163 WeakPolarHBondContact CE1-O 3.46Å
159	G	97.8	Very high	98.5	Very high	26 Å²	26	47.7 Å²	47.7	27%	0.268	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-148.6	179.8	-179.6	0	0	0	0	0	112	N161 F162	G159-N161 PolarHBondContact O-N 3.49Å; G159-N161 VanDerWaalsContact O-N 3.15Å; G159-F162 PolarHBondContact N-O 2.96Å; G159-F162 PolarHBondContact O-N 2.91Å; G159-F162 VanDerWaalsContact O-N 3.07Å; G159-F162 VanDerWaalsContact O-O 3.12Å
160	K	98.3	Very high	98.5	Very high	166 Å²	166	43.5 Å²	43.5	72%	0.722	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	121.3	176.1	-179.1	63.1	-179.7	177.8	0	109.2	F162	K160-F162 PolarHBondContact O-N 2.94Å
161	N	98.7	Very high	98.5	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	22.1	-176	-56.6	-15	0	0	0	113.8	P112 T113 D114 H115 I116 G159	P112-N161 PolarHBondContact O-ND2 3.28Å; P112-N161 VanDerWaalsContact O-ND2 3.11Å; T113-N161 PolarHBondContact O-ND2 3.05Å; D114-N161 WeakPolarHBondContact O-CB 3.32Å; H115-N161 WeakPolarHBondContact CA-O 3.44Å; H115-N161 VanDerWaalsContact CE1-CG 3.5Å; H115-N161 PolarHBondContact CE1-OD1 3.15Å; I116-N161 PolarHBondContact N-O 3.3Å; G159-N161 PolarHBondContact O-N 3.49Å; G159-N161 VanDerWaalsContact O-N 3.15Å
162	F	98.9	Very high	98.5	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.5	171.8	177.3	-117.5	0	0	0	108.4	I116 T118 A122 L125 C126 R129 M157 G159 K160 G164	I116-F162 HydrophobicContact CB-CD2 4.13Å; I116-F162 HydrophobicContact CG2-CD2 4.22Å; I116-F162 HydrophobicContact CG2-CE2 4.35Å; I116-F162 WeakPolarHBondContact O-CA 3.34Å; T118-F162 HydrophobicContact CG2-CE2 4.08Å; T118-F162 HydrophobicContact CG2-CZ 4.16Å; A122-F162 HydrophobicContact CB-CZ 4.13Å; L125-F162 HydrophobicContact CB-CE2 3.9Å; L125-F162 HydrophobicContact CB-CZ 4.14Å; C126-F162 HydrophobicContact CB-CE1 4.46Å; C126-F162 WeakPolarHBondContact SG-CE1 3.27Å; R129-F162 HydrophobicContact CB-CB 3.79Å; R129-F162 HydrophobicContact CB-CG 4.14Å; R129-F162 HydrophobicContact CG-CB 3.87Å; R129-F162 HydrophobicContact CG-CD2 4.1Å; R129-F162 HydrophobicContact CG-CG 4.1Å; M157-F162 WeakPolarHBondContact O-CE1 3.33Å; G159-F162 PolarHBondContact N-O 2.96Å; G159-F162 PolarHBondContact O-N 2.91Å; G159-F162 VanDerWaalsContact O-N 3.07Å; G159-F162 VanDerWaalsContact O-O 3.12Å; K160-F162 PolarHBondContact O-N 2.94Å; F162-G164 PolarHBondContact O-N 3.41Å; F162-G164 VanDerWaalsContact O-N 3.14Å
163	Y	98.8	Very high	98.5	Very high	81 Å²	81	37.9 Å²	37.9	32%	0.318	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	18.9	-173.4	-58.8	-92.5	0	0	0	112.6	H115 I116 Y158 V179	H115-Y163 HydrophobicContact CB-CD2 4.42Å; H115-Y163 HydrophobicContact CB-CE2 3.75Å; H115-Y163 AromaticContact CG-CE2 3.87Å; H115-Y163 AromaticContact ND1-CE2 3.29Å; H115-Y163 VanDerWaalsContact ND1-CE2 3.29Å; H115-Y163 WeakPolarHBondContact ND1-CE2 3.22Å; H115-Y163 AromaticContact ND1-CZ 3.56Å; H115-Y163 PolarHBondContact ND1-OH 3.07Å; I116-Y163 PolarHBondContact O-N 3.04Å; Y158-Y163 WeakPolarHBondContact CE1-O 3.46Å; Y163-V179 HydrophobicContact CD1-CG2 4.16Å; Y163-V179 HydrophobicContact CD2-CG1 4.45Å; Y163-V179 HydrophobicContact CD2-CG2 4.18Å; Y163-V179 HydrophobicContact CE1-CG2 4.08Å; Y163-V179 HydrophobicContact CE2-CG1 3.84Å; Y163-V179 HydrophobicContact CE2-CG2 4.16Å; Y163-V179 HydrophobicContact CG-CG2 4.19Å
164	G	96.4	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.2	178.8	158.3	0	0	0	0	0	116.6	T118 M157 F162 N166	T118-G164 PolarHBondContact N-O 3.14Å; T118-G164 VanDerWaalsContact O-O 3.12Å; M157-G164 WeakPolarHBondContact O-CA 3.22Å; F162-G164 PolarHBondContact O-N 3.41Å; F162-G164 VanDerWaalsContact O-N 3.14Å; G164-N166 PolarHBondContact O-ND2 3.45Å; G164-N166 VanDerWaalsContact O-ND2 3.14Å
165	G	97.1	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.1	163.1	0	0	0	0	0	110.4	S119 M155 H156 M157	S119-G165 VanDerWaalsContact O-CA 3.25Å; S119-G165 WeakPolarHBondContact O-CA 3.42Å; M155-G165 CarbonylContact O-C 3.57Å; M155-G165 WeakPolarHBondContact O-CA 3.29Å; H156-G165 PolarHBondContact ND1-O 2.9Å; M157-G165 PolarHBondContact O-N 2.94Å
166	N	98.8	Very high	98.5	Very high	22 Å²	22	41.3 Å²	41.3	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.1	-176.8	-67.3	-88.3	0	0	0	109.6	I117 T118 S119 Y120 G164 Q172	I117-N166 WeakPolarHBondContact CG1-ND2 3.43Å; T118-N166 WeakPolarHBondContact O-CB 3.09Å; T118-N166 PolarHBondContact O-N 2.69Å; T118-N166 PolarHBondContact O-ND2 3.49Å; S119-N166 CarbonylContact C-O 3.54Å; S119-N166 WeakPolarHBondContact CA-O 3.36Å; S119-N166 PolarHBondContact OG-O 2.85Å; Y120-N166 PolarHBondContact N-O 3.26Å; Y120-N166 VanDerWaalsContact N-O 3.09Å; G164-N166 PolarHBondContact O-ND2 3.45Å; G164-N166 VanDerWaalsContact O-ND2 3.14Å; N166-Q172 HydrophobicContact CB-CB 3.85Å
167	G	98.2	Very high	98.5	Very high	23 Å²	23	38.7 Å²	38.7	24%	0.237	20%	0.204	C	C	.	.	S	Bend	trans	-76.5	-22.8	-175	0	0	0	0	0	114.4
168	I	98.8	Very high	98.5	Very high	124 Å²	124	40.5 Å²	40.5	64%	0.636	22%	0.224	S	C	*	.	S	Bend	trans	-92.3	113.3	-176.5	-51.9	-55.3	0	0	0	109.5	G170 A171	I168-G170 PolarHBondContact O-N 3.31Å; I168-G170 VanDerWaalsContact O-N 3.16Å; I168-A171 HydrophobicContact CB-CB 3.84Å; I168-A171 HydrophobicContact CG2-CB 3.91Å; I168-A171 WeakPolarHBondContact O-CB 3.41Å; I168-A171 PolarHBondContact O-N 2.91Å; I168-A171 VanDerWaalsContact O-N 3.1Å
169	V	98.8	Very high	98.5	Very high	53 Å²	53	35.9 Å²	35.9	32%	0.321	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	117.7	-173.5	-178.9	0	0	0	0	111.2	Y120 A171 A200 Q203	Y120-V169 HydrophobicContact CE1-CG2 4.14Å; V169-A171 VanDerWaalsContact C-N 3.33Å; V169-A200 HydrophobicContact CG1-CB 3.57Å; V169-Q203 HydrophobicContact CG1-CG 4.26Å; V169-Q203 WeakPolarHBondContact O-CG 3.4Å
170	G	98.7	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-16.5	177.1	0	0	0	0	0	114.5	I168 Q172 V173 P174 Q205	I168-G170 PolarHBondContact O-N 3.31Å; I168-G170 VanDerWaalsContact O-N 3.16Å; G170-Q172 VanDerWaalsContact C-OE1 3.27Å; G170-Q172 VanDerWaalsContact N-OE1 3.13Å; G170-Q172 PolarHBondContact O-N 3.49Å; G170-V173 PolarHBondContact O-N 2.99Å; G170-V173 VanDerWaalsContact O-N 3.14Å; G170-P174 VanDerWaalsContact O-CD 3.25Å; G170-P174 WeakPolarHBondContact O-CD 3.38Å; G170-Q205 VanDerWaalsContact C-NE2 3.32Å
171	A	98.9	Very high	98.6	Very high	26 Å²	26	31 Å²	31	22%	0.215	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.6	-177.2	0	0	0	0	0	113	I168 V169 V173 P174 L175	I168-A171 HydrophobicContact CB-CB 3.84Å; I168-A171 HydrophobicContact CG2-CB 3.91Å; I168-A171 WeakPolarHBondContact O-CB 3.41Å; I168-A171 PolarHBondContact O-N 2.91Å; I168-A171 VanDerWaalsContact O-N 3.1Å; V169-A171 VanDerWaalsContact C-N 3.33Å; A171-V173 PolarHBondContact O-N 3.34Å; A171-P174 WeakPolarHBondContact O-CD 3.49Å; A171-L175 WeakPolarHBondContact O-CG 3.16Å
172	Q	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.2	-18.9	178	79.7	-75.9	8.9	0	0	113.6	I117 N166 G170 L175 G176 L195 Y196	I117-Q172 HydrophobicContact CD1-CB 3.98Å; I117-Q172 HydrophobicContact CG1-CB 4.04Å; N166-Q172 HydrophobicContact CB-CB 3.85Å; G170-Q172 VanDerWaalsContact C-OE1 3.27Å; G170-Q172 VanDerWaalsContact N-OE1 3.13Å; G170-Q172 PolarHBondContact O-N 3.49Å; Q172-L175 PolarHBondContact O-N 2.89Å; Q172-G176 PolarHBondContact O-N 3.14Å; Q172-L195 VanDerWaalsContact CG-O 3.31Å; Q172-L195 WeakPolarHBondContact CG-O 3.33Å; Q172-L195 PolarHBondContact NE2-O 3.04Å; Q172-Y196 VanDerWaalsContact NE2-CB 3.35Å
173	V	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-50.5	-174.9	-179.3	0	0	0	0	111.4	G170 A171 L175 G176 A177 Y196 V206 A209 F222	G170-V173 PolarHBondContact O-N 2.99Å; G170-V173 VanDerWaalsContact O-N 3.14Å; A171-V173 PolarHBondContact O-N 3.34Å; V173-L175 VanDerWaalsContact C-N 3.26Å; V173-L175 PolarHBondContact O-N 2.86Å; V173-G176 PolarHBondContact O-N 3.3Å; V173-A177 PolarHBondContact O-N 2.93Å; V173-Y196 HydrophobicContact CG2-CD1 3.56Å; V173-Y196 HydrophobicContact CG2-CG 3.81Å; V173-V206 HydrophobicContact CB-CG2 3.95Å; V173-V206 HydrophobicContact CG1-CB 4.42Å; V173-V206 HydrophobicContact CG1-CG1 4.2Å; V173-V206 HydrophobicContact CG1-CG2 4.17Å; V173-V206 HydrophobicContact CG2-CG2 3.86Å; V173-A209 HydrophobicContact CG1-CB 4.07Å; V173-F222 HydrophobicContact CG1-CD1 3.77Å; V173-F222 HydrophobicContact CG1-CE1 3.61Å
174	P	98.9	Very high	98.6	Very high	45 Å²	45	34.4 Å²	34.4	29%	0.292	20%	0.199	S	C	.	.	H	α-helix	trans	-57.4	-37.2	168.6	-25.1	33.2	0	0	0	113.5	G170 A171 A177 G178 Q205 A209	G170-P174 VanDerWaalsContact O-CD 3.25Å; G170-P174 WeakPolarHBondContact O-CD 3.38Å; A171-P174 WeakPolarHBondContact O-CD 3.49Å; P174-A177 WeakPolarHBondContact O-CB 3.23Å; P174-A177 PolarHBondContact O-N 2.84Å; P174-G178 PolarHBondContact O-N 3.16Å; P174-Q205 HydrophobicContact CG-CB 3.93Å; P174-Q205 HydrophobicContact CG-CG 4.16Å; P174-A209 HydrophobicContact CG-CB 4.32Å
175	L	98.9	Very high	98.7	Very high	92 Å²	92	43.2 Å²	43.2	48%	0.482	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-43.8	176.8	-65.8	178	0	0	0	111.7	I117 A171 Q172 V173 A177 G178 V179	I117-L175 HydrophobicContact CD1-CB 3.64Å; I117-L175 HydrophobicContact CD1-CD1 4.18Å; A171-L175 WeakPolarHBondContact O-CG 3.16Å; Q172-L175 PolarHBondContact O-N 2.89Å; V173-L175 VanDerWaalsContact C-N 3.26Å; V173-L175 PolarHBondContact O-N 2.86Å; L175-A177 PolarHBondContact O-N 3.14Å; L175-G178 WeakPolarHBondContact O-CA 3.37Å; L175-G178 PolarHBondContact O-N 3.39Å; L175-G178 VanDerWaalsContact O-N 3.13Å; L175-V179 WeakPolarHBondContact O-CG2 3.31Å; L175-V179 PolarHBondContact O-N 2.99Å
176	G	98.9	Very high	98.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-41.3	173.9	0	0	0	0	0	112.9	Q172 V173 G178 V179 A180	Q172-G176 PolarHBondContact O-N 3.14Å; V173-G176 PolarHBondContact O-N 3.3Å; G176-G178 VanDerWaalsContact C-N 3.31Å; G176-G178 PolarHBondContact O-N 3.06Å; G176-V179 PolarHBondContact O-N 3.24Å; G176-A180 PolarHBondContact O-N 3.13Å
177	A	98.9	Very high	98.7	Very high	9 Å²	9	50.3 Å²	50.3	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-39.5	172	0	0	0	0	0	112	V173 P174 L175 A180 F181 A209 S213 L218 F222	V173-A177 PolarHBondContact O-N 2.93Å; P174-A177 WeakPolarHBondContact O-CB 3.23Å; P174-A177 PolarHBondContact O-N 2.84Å; L175-A177 PolarHBondContact O-N 3.14Å; A177-A180 WeakPolarHBondContact O-CB 3.34Å; A177-A180 PolarHBondContact O-N 2.87Å; A177-F181 WeakPolarHBondContact O-CB 3.48Å; A177-F181 PolarHBondContact O-N 3.35Å; A177-A209 HydrophobicContact CB-CB 4.4Å; A177-S213 WeakPolarHBondContact CB-OG 3.49Å; A177-L218 HydrophobicContact CB-CD1 4.47Å; A177-L218 WeakPolarHBondContact O-CD1 3.49Å; A177-F222 HydrophobicContact CB-CZ 4.43Å
178	G	98.9	Very high	98.7	Very high	40 Å²	40	52 Å²	52	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-39.7	173.8	0	0	0	0	0	113.4	P174 L175 G176 F181 A182	P174-G178 PolarHBondContact O-N 3.16Å; L175-G178 WeakPolarHBondContact O-CA 3.37Å; L175-G178 PolarHBondContact O-N 3.39Å; L175-G178 VanDerWaalsContact O-N 3.13Å; G176-G178 VanDerWaalsContact C-N 3.31Å; G176-G178 PolarHBondContact O-N 3.06Å; G178-F181 WeakPolarHBondContact O-CB 3.45Å; G178-F181 PolarHBondContact O-N 3.1Å; G178-A182 PolarHBondContact O-N 3.27Å
179	V	98.9	Very high	98.6	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-45.4	172.9	175	0	0	0	0	110.5	H115 Y163 L175 G176 F181 A182 R183 C192	H115-V179 HydrophobicContact CB-CG1 3.59Å; Y163-V179 HydrophobicContact CD1-CG2 4.16Å; Y163-V179 HydrophobicContact CD2-CG1 4.45Å; Y163-V179 HydrophobicContact CD2-CG2 4.18Å; Y163-V179 HydrophobicContact CE1-CG2 4.08Å; Y163-V179 HydrophobicContact CE2-CG1 3.84Å; Y163-V179 HydrophobicContact CE2-CG2 4.16Å; Y163-V179 HydrophobicContact CG-CG2 4.19Å; L175-V179 WeakPolarHBondContact O-CG2 3.31Å; L175-V179 PolarHBondContact O-N 2.99Å; G176-V179 PolarHBondContact O-N 3.24Å; V179-F181 VanDerWaalsContact C-N 3.32Å; V179-F181 PolarHBondContact O-N 3.16Å; V179-A182 WeakPolarHBondContact O-CB 3.32Å; V179-A182 PolarHBondContact O-N 3.26Å; V179-A182 VanDerWaalsContact O-N 3.14Å; V179-R183 WeakPolarHBondContact O-CG 3.33Å; V179-R183 PolarHBondContact O-N 2.8Å; V179-C192 HydrophobicContact CB-CB 4.32Å; V179-C192 HydrophobicContact CG1-CB 4.11Å
180	A	98.9	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-40.4	174.7	0	0	0	0	0	112.4	G176 A177 A182 R183 K184 C192 L218 P219 C220	G176-A180 PolarHBondContact O-N 3.13Å; A177-A180 WeakPolarHBondContact O-CB 3.34Å; A177-A180 PolarHBondContact O-N 2.87Å; A180-A182 PolarHBondContact O-N 2.95Å; A180-R183 PolarHBondContact O-N 3.37Å; A180-K184 PolarHBondContact O-N 3.07Å; A180-C192 HydrophobicContact CB-CB 3.95Å; A180-L218 HydrophobicContact CB-CB 4.2Å; A180-P219 HydrophobicContact CB-CG 4.25Å; A180-P219 WeakPolarHBondContact O-CD 3.38Å; A180-P219 WeakPolarHBondContact O-CG 3.28Å; A180-C220 HydrophobicContact CB-CB 3.64Å
181	F	98.9	Very high	98.6	Very high	90 Å²	90	50.1 Å²	50.1	40%	0.395	28%	0.28	S	S	.	.	H	α-helix	trans	-57.4	-47.9	172.3	176.3	-89.7	0	0	0	111.3	A177 G178 V179 R183 K184 Y185 W216 L218	A177-F181 WeakPolarHBondContact O-CB 3.48Å; A177-F181 PolarHBondContact O-N 3.35Å; G178-F181 WeakPolarHBondContact O-CB 3.45Å; G178-F181 PolarHBondContact O-N 3.1Å; V179-F181 VanDerWaalsContact C-N 3.32Å; V179-F181 PolarHBondContact O-N 3.16Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 2.8Å; F181-K184 PolarHBondContact O-N 2.83Å; F181-Y185 HydrophobicContact CE1-CD2 4.16Å; F181-Y185 HydrophobicContact CZ-CD2 4.15Å; F181-Y185 WeakPolarHBondContact O-CB 3.37Å; F181-Y185 PolarHBondContact O-N 3.2Å; F181-W216 HydrophobicContact CD2-CE3 4.06Å; F181-W216 HydrophobicContact CD2-CZ3 4.4Å; F181-W216 HydrophobicContact CE2-CE3 4.45Å; F181-L218 HydrophobicContact CB-CD1 4.05Å; F181-L218 HydrophobicContact CB-CD2 4.11Å; F181-L218 HydrophobicContact CD2-CD2 3.99Å
182	A	98.8	Very high	98.6	Very high	33 Å²	33	48.9 Å²	48.9	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-36.8	177.2	0	0	0	0	0	112.3	G178 V179 A180 Y185 L186	G178-A182 PolarHBondContact O-N 3.27Å; V179-A182 WeakPolarHBondContact O-CB 3.32Å; V179-A182 PolarHBondContact O-N 3.26Å; V179-A182 VanDerWaalsContact O-N 3.14Å; A180-A182 PolarHBondContact O-N 2.95Å; A182-Y185 PolarHBondContact O-N 2.94Å; A182-L186 WeakPolarHBondContact O-CB 3.38Å; A182-L186 VanDerWaalsContact O-CG 3.28Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.36Å
183	R	98.4	Very high	98.6	Very high	43 Å²	43	49 Å²	49	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-43.1	176.7	-63.8	-46.9	94.2	-178.2	-1.9	112.7	H115 V179 A180 F181 G187 T188 E190 P219	H115-R183 WeakPolarHBondContact NE2-CD 3.45Å; V179-R183 WeakPolarHBondContact O-CG 3.33Å; V179-R183 PolarHBondContact O-N 2.8Å; A180-R183 PolarHBondContact O-N 3.37Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 2.8Å; R183-G187 PolarHBondContact O-N 3.46Å; R183-G187 VanDerWaalsContact O-N 3.09Å; R183-T188 PolarHBondContact O-N 3.32Å; R183-E190 HydrophobicContact CB-CB 4.31Å; R183-E190 WeakPolarHBondContact CB-O 3.4Å; R183-E190 WeakPolarHBondContact CD-OE2 3.24Å; R183-E190 HydrophobicContact CG-CB 3.89Å; R183-E190 IonicContact CZ-OE2 3.68Å; R183-E190 IonicContact NE-OE2 3.66Å; R183-E190 IonicContact NH1-OE2 3.89Å; R183-E190 PolarHBondContact NH1-OE2 3.07Å; R183-P219 HydrophobicContact CB-CG 4.31Å
184	K	98.6	Very high	98.6	Very high	104 Å²	104	49 Å²	49	45%	0.452	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-45.7	173.3	-176.3	172.6	179.6	166	0	111.4	A180 F181 L186 G187 W216 K217 L218 P219	A180-K184 PolarHBondContact O-N 3.07Å; F181-K184 PolarHBondContact O-N 2.83Å; K184-L186 VanDerWaalsContact C-N 3.31Å; K184-L186 PolarHBondContact O-N 3.21Å; K184-G187 PolarHBondContact O-N 2.8Å; K184-G187 VanDerWaalsContact O-N 3.17Å; K184-W216 PolarHBondContact NZ-O 2.97Å; K184-K217 PolarHBondContact NZ-O 3.18Å; K184-L218 HydrophobicContact CD-CD2 4.09Å; K184-P219 HydrophobicContact CB-CG 4.31Å
185	Y	98.6	Very high	98.6	Very high	185 Å²	185	46.8 Å²	46.8	73%	0.725	26%	0.257	S	S	*	.	H	α-helix	trans	-59.8	-41.2	-179.3	-171.1	-87.3	0	0	0	112.1	F181 A182	F181-Y185 HydrophobicContact CE1-CD2 4.16Å; F181-Y185 HydrophobicContact CZ-CD2 4.15Å; F181-Y185 WeakPolarHBondContact O-CB 3.37Å; F181-Y185 PolarHBondContact O-N 3.2Å; A182-Y185 PolarHBondContact O-N 2.94Å
186	L	98.4	Very high	98.6	Very high	106 Å²	106	42.5 Å²	42.5	56%	0.555	23%	0.234	S	C	*	.	H	α-helix	trans	-83.7	-7.4	179.2	-65.5	172.2	0	0	0	114	A182 K184 T188	A182-L186 WeakPolarHBondContact O-CB 3.38Å; A182-L186 VanDerWaalsContact O-CG 3.28Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.36Å; K184-L186 VanDerWaalsContact C-N 3.31Å; K184-L186 PolarHBondContact O-N 3.21Å; L186-T188 VanDerWaalsContact C-N 3.31Å; L186-T188 HydrophobicContact CB-CG2 3.79Å; L186-T188 PolarHBondContact O-N 3.15Å
187	G	97.7	Very high	98.6	Very high	64 Å²	64	43.5 Å²	43.5	66%	0.66	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	28.5	179.8	0	0	0	0	0	114.7	R183 K184 N189	R183-G187 PolarHBondContact O-N 3.46Å; R183-G187 VanDerWaalsContact O-N 3.09Å; K184-G187 PolarHBondContact O-N 2.8Å; K184-G187 VanDerWaalsContact O-N 3.17Å; G187-N189 VanDerWaalsContact C-N 3.31Å; G187-N189 PolarHBondContact O-N 2.85Å
188	T	96.9	Very high	98.6	Very high	58 Å²	58	43.1 Å²	43.1	36%	0.356	24%	0.241	S	C	.	.			trans	-82.8	-1.8	-171.1	58.7	0	0	0	0	114.9	R183 L186 E190	R183-T188 PolarHBondContact O-N 3.32Å; L186-T188 VanDerWaalsContact C-N 3.31Å; L186-T188 HydrophobicContact CB-CG2 3.79Å; L186-T188 PolarHBondContact O-N 3.15Å; T188-E190 WeakPolarHBondContact CB-OE2 3.49Å; T188-E190 PolarHBondContact O-N 3.05Å; T188-E190 VanDerWaalsContact O-N 3.08Å; T188-E190 WeakPolarHBondContact OG1-CB 3.49Å; T188-E190 WeakPolarHBondContact OG1-CG 3.28Å; T188-E190 PolarHBondContact OG1-OE2 2.92Å
189	N	97.2	Very high	98.6	Very high	106 Å²	106	42.6 Å²	42.6	57%	0.567	24%	0.235	S	C	*	.			trans	53.9	23.1	-172.7	-162.7	28.1	0	0	0	113.8	G187 R276	G187-N189 VanDerWaalsContact C-N 3.31Å; G187-N189 PolarHBondContact O-N 2.85Å; N189-R276 PolarHBondContact O-NH1 3.33Å; N189-R276 WeakPolarHBondContact OD1-CB 3.5Å; N189-R276 WeakPolarHBondContact OD1-CG 3.39Å
190	E	98.8	Very high	98.6	Very high	33 Å²	33	42 Å²	42	15%	0.154	23%	0.232	C	C	.	.			trans	-91.5	153.1	174.4	-65.5	165.7	158	0	0	110.2	H115 R183 T188	H115-E190 IonicContact NE2-OE2 3.73Å; H115-E190 PolarHBondContact NE2-OE2 3.49Å; R183-E190 HydrophobicContact CB-CB 4.31Å; R183-E190 WeakPolarHBondContact CB-O 3.4Å; R183-E190 WeakPolarHBondContact CD-OE2 3.24Å; R183-E190 HydrophobicContact CG-CB 3.89Å; R183-E190 IonicContact CZ-OE2 3.68Å; R183-E190 IonicContact NE-OE2 3.66Å; R183-E190 IonicContact NH1-OE2 3.89Å; R183-E190 PolarHBondContact NH1-OE2 3.07Å; T188-E190 WeakPolarHBondContact CB-OE2 3.49Å; T188-E190 PolarHBondContact O-N 3.05Å; T188-E190 VanDerWaalsContact O-N 3.08Å; T188-E190 WeakPolarHBondContact OG1-CB 3.49Å; T188-E190 WeakPolarHBondContact OG1-CG 3.28Å; T188-E190 PolarHBondContact OG1-OE2 2.92Å
191	I	98.9	Very high	98.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.			trans	-114.2	166.3	176.6	63.7	166.4	0	0	0	111.1	I110 D114 H115 L193 P219 V221 A272 C275 R276	I110-I191 HydrophobicContact CG2-CD1 4.16Å; D114-I191 HydrophobicContact CB-CG1 4.02Å; D114-I191 WeakPolarHBondContact OD1-CG1 3.33Å; D114-I191 PolarHBondContact OD1-N 3.05Å; H115-I191 PolarHBondContact CD2-O 2.8Å; H115-I191 PolarHBondContact N-O 2.93Å; I191-L193 HydrophobicContact CD1-CD2 3.81Å; I191-P219 WeakPolarHBondContact CA-O 3.5Å; I191-P219 HydrophobicContact CG2-CB 4.09Å; I191-V221 HydrophobicContact CD1-CG2 4.2Å; I191-A272 HydrophobicContact CD1-CB 3.5Å; I191-A272 VanDerWaalsContact CD1-CB 3.5Å; I191-C275 HydrophobicContact CG2-CB 3.6Å; I191-R276 HydrophobicContact CG2-CG 3.85Å
192	C	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.1	165.1	-170.2	0	0	0	0	111.5	H115 V179 A180 P219 C220 V221	H115-C192 HydrophobicContact CB-CB 4.12Å; H115-C192 CarbonylContact O-C 3.59Å; H115-C192 WeakPolarHBondContact O-CA 3.38Å; V179-C192 HydrophobicContact CB-CB 4.32Å; V179-C192 HydrophobicContact CG1-CB 4.11Å; A180-C192 HydrophobicContact CB-CB 3.95Å; C192-P219 PolarHBondContact N-O 3.07Å; C192-C220 WeakPolarHBondContact O-CA 3.46Å; C192-V221 PolarHBondContact O-N 3.17Å
193	L	98.9	Very high	98.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.8	165.6	-56	-168	0	0	0	108.6	L106 I110 H115 I116 I117 I191 L195 V221 I223 T268	L106-L193 HydrophobicContact CB-CD1 4.15Å; L106-L193 HydrophobicContact CD2-CD1 4.19Å; I110-L193 HydrophobicContact CD1-CD1 3.86Å; I110-L193 HydrophobicContact CD1-CG 4.49Å; I110-L193 HydrophobicContact CG2-CD1 3.91Å; I110-L193 HydrophobicContact CG2-CD2 4.34Å; I110-L193 HydrophobicContact CG2-CG 4.34Å; H115-L193 PolarHBondContact O-N 2.89Å; I116-L193 WeakPolarHBondContact CA-O 3.31Å; I116-L193 HydrophobicContact CD1-CD1 4.31Å; I116-L193 HydrophobicContact CG1-CB 4.24Å; I116-L193 HydrophobicContact CG1-CD1 4.22Å; I116-L193 HydrophobicContact CG1-CG 4.42Å; I117-L193 PolarHBondContact N-O 3.15Å; I191-L193 HydrophobicContact CD1-CD2 3.81Å; L193-L195 HydrophobicContact CB-CD1 3.86Å; L193-V221 HydrophobicContact CD2-CB 3.63Å; L193-V221 HydrophobicContact CD2-CG1 4.17Å; L193-V221 HydrophobicContact CD2-CG2 3.81Å; L193-I223 HydrophobicContact CB-CD1 3.88Å; L193-I223 HydrophobicContact CD1-CD1 4.19Å; L193-I223 HydrophobicContact CD2-CD1 4.12Å; L193-I223 HydrophobicContact CG-CD1 4.29Å; L193-T268 HydrophobicContact CD1-CG2 4.47Å
194	A	98.9	Very high	98.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	97.8	-179.6	0	0	0	0	0	110.4	I117 V221 F222 I223	I117-A194 HydrophobicContact CG2-CB 4.21Å; A194-V221 PolarHBondContact N-O 3.25Å; A194-F222 HydrophobicContact CB-CD1 4.16Å; A194-F222 HydrophobicContact CB-CE1 4.44Å; A194-I223 PolarHBondContact O-N 2.97Å
195	L	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.3	-172.9	-68	72.1	0	0	0	112.1	L106 I116 I117 T118 L125 Q172 L193 I223 E225	L106-L195 HydrophobicContact CD1-CD2 3.72Å; L106-L195 HydrophobicContact CD1-CG 4.36Å; I116-L195 HydrophobicContact CG2-CD1 3.76Å; I117-L195 WeakPolarHBondContact O-CD1 3.21Å; I117-L195 PolarHBondContact O-N 3.4Å; T118-L195 WeakPolarHBondContact OG1-CB 3.33Å; L125-L195 HydrophobicContact CD1-CD2 3.61Å; Q172-L195 VanDerWaalsContact CG-O 3.31Å; Q172-L195 WeakPolarHBondContact CG-O 3.33Å; Q172-L195 PolarHBondContact NE2-O 3.04Å; L193-L195 HydrophobicContact CB-CD1 3.86Å; L195-I223 CarbonylContact C-O 3.45Å; L195-I223 WeakPolarHBondContact CA-O 3.46Å; L195-I223 HydrophobicContact CD1-CD1 3.97Å; L195-I223 HydrophobicContact CG-CB 3.97Å; L195-I223 HydrophobicContact CG-CD1 4.16Å; L195-I223 HydrophobicContact CG-CG2 4.17Å; L195-E225 HydrophobicContact CD2-CG 4.43Å
196	Y	98.9	Very high	98.6	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.2	173.5	58.6	-84.6	0	0	0	110.5	Q172 V173 A200 A201 Y210 F222 I223 C224 E225	Q172-Y196 VanDerWaalsContact NE2-CB 3.35Å; V173-Y196 HydrophobicContact CG2-CD1 3.56Å; V173-Y196 HydrophobicContact CG2-CG 3.81Å; Y196-A200 HydrophobicContact CD2-CB 4.46Å; Y196-A201 HydrophobicContact CD2-CB 4.15Å; Y196-A201 HydrophobicContact CE2-CB 3.81Å; Y196-Y210 VanDerWaalsContact CZ-OH 3.23Å; Y196-Y210 PolarHBondContact OH-OH 2.89Å; Y196-F222 HydrophobicContact CE1-CB 4.11Å; Y196-I223 WeakPolarHBondContact CD1-O 3.41Å; Y196-I223 WeakPolarHBondContact CE1-O 3.43Å; Y196-I223 PolarHBondContact N-O 3.23Å; Y196-C224 HydrophobicContact CD2-CB 4.37Å; Y196-C224 HydrophobicContact CE2-CB 3.62Å; Y196-C224 CarbonylContact O-C 3.09Å; Y196-C224 VanDerWaalsContact O-CA 3.27Å; Y196-C224 WeakPolarHBondContact O-CA 3.43Å; Y196-E225 PolarHBondContact O-N 3.19Å
197	G	98.9	Very high	98.6	Very high	20 Å²	20	30.2 Å²	30.2	21%	0.206	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	168.3	178.2	0	0	0	0	0	113.4	G199 A200 A201	G197-G199 VanDerWaalsContact C-N 3.35Å; G197-G199 PolarHBondContact O-N 2.65Å; G197-A200 WeakPolarHBondContact O-CA 3.47Å; G197-A200 WeakPolarHBondContact O-CB 3.49Å; G197-A200 PolarHBondContact O-N 3.04Å; G197-A201 PolarHBondContact O-N 3.42Å; G197-A201 VanDerWaalsContact O-N 3.14Å
198	D	98.8	Very high	98.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.011	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-52.7	-45.9	176.4	50.7	-88.9	0	0	0	113.3	A200 A201 N226 N227 Y229 G230 T235 Y244	D198-A200 VanDerWaalsContact C-N 3.28Å; D198-A200 PolarHBondContact O-N 2.98Å; D198-A201 VanDerWaalsContact O-CB 3.22Å; D198-A201 WeakPolarHBondContact O-CB 3.31Å; D198-A201 PolarHBondContact O-N 2.96Å; D198-A201 VanDerWaalsContact O-N 3.13Å; D198-N226 HydrophobicContact CB-CB 4.39Å; D198-N227 PolarHBondContact OD1-N 3.09Å; D198-Y229 VanDerWaalsContact OD2-C 3.24Å; D198-Y229 PolarHBondContact OD2-N 2.92Å; D198-G230 PolarHBondContact OD2-N 2.77Å; D198-T235 HydrophobicContact CB-CG2 3.79Å; D198-Y244 HydrophobicContact CB-CE1 4.21Å; D198-Y244 HydrophobicContact CB-CE2 3.96Å
199	G	98.5	Very high	98.8	Very high	28 Å²	28	31 Å²	31	29%	0.289	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-62.8	-30.3	174	0	0	0	0	0	114.4	G197 A201	G197-G199 VanDerWaalsContact C-N 3.35Å; G197-G199 PolarHBondContact O-N 2.65Å; G199-A201 VanDerWaalsContact C-N 3.31Å
200	A	98.8	Very high	98.8	Very high	7 Å²	7	26.3 Å²	26.3	6%	0.058	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-75.9	-20.1	177.1	0	0	0	0	0	112.5	V169 Y196 G197 D198 N202 Q203	V169-A200 HydrophobicContact CG1-CB 3.57Å; Y196-A200 HydrophobicContact CD2-CB 4.46Å; G197-A200 WeakPolarHBondContact O-CA 3.47Å; G197-A200 WeakPolarHBondContact O-CB 3.49Å; G197-A200 PolarHBondContact O-N 3.04Å; D198-A200 VanDerWaalsContact C-N 3.28Å; D198-A200 PolarHBondContact O-N 2.98Å; A200-N202 PolarHBondContact O-N 2.68Å; A200-Q203 WeakPolarHBondContact O-CB 3.34Å; A200-Q203 WeakPolarHBondContact O-CG 3.33Å; A200-Q203 PolarHBondContact O-N 3.07Å
201	A	98.8	Very high	98.8	Very high	7 Å²	7	28.9 Å²	28.9	6%	0.058	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.2	-10.9	-179.2	0	0	0	0	0	114	Y196 G197 D198 G199 Y244 R247	Y196-A201 HydrophobicContact CD2-CB 4.15Å; Y196-A201 HydrophobicContact CE2-CB 3.81Å; G197-A201 PolarHBondContact O-N 3.42Å; G197-A201 VanDerWaalsContact O-N 3.14Å; D198-A201 VanDerWaalsContact O-CB 3.22Å; D198-A201 WeakPolarHBondContact O-CB 3.31Å; D198-A201 PolarHBondContact O-N 2.96Å; D198-A201 VanDerWaalsContact O-N 3.13Å; G199-A201 VanDerWaalsContact C-N 3.31Å; A201-Y244 HydrophobicContact CB-CD1 3.55Å; A201-Y244 HydrophobicContact CB-CE1 3.77Å; A201-R247 PolarHBondContact O-NH2 3.3Å
202	N	98.7	Very high	98.8	Very high	63 Å²	63	32.2 Å²	32.2	34%	0.337	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-98.7	3.5	176.4	-62.9	-35.8	0	0	0	113.7	A200 A238 R247	A200-N202 PolarHBondContact O-N 2.68Å; N202-A238 PolarHBondContact ND2-O 3.49Å; N202-R247 PolarHBondContact OD1-NH1 2.89Å; N202-R247 PolarHBondContact OD1-NH2 2.94Å
203	Q	98.9	Very high	98.8	Very high	78 Å²	78	32.2 Å²	32.2	36%	0.364	20%	0.197	S	C	.	.			trans	-72.6	132.1	175.5	-73.3	-71.6	-28.9	0	0	111	V169 A200 Q205 V206	V169-Q203 HydrophobicContact CG1-CG 4.26Å; V169-Q203 WeakPolarHBondContact O-CG 3.4Å; A200-Q203 WeakPolarHBondContact O-CB 3.34Å; A200-Q203 WeakPolarHBondContact O-CG 3.33Å; A200-Q203 PolarHBondContact O-N 3.07Å; Q203-Q205 VanDerWaalsContact C-N 3.32Å; Q203-Q205 HydrophobicContact CB-CG 4.28Å; Q203-Q205 PolarHBondContact O-N 3.34Å; Q203-V206 HydrophobicContact CB-CG2 3.94Å; Q203-V206 VanDerWaalsContact O-CB 3.32Å; Q203-V206 WeakPolarHBondContact O-CB 3.39Å; Q203-V206 PolarHBondContact O-N 3.27Å
204	G	98.8	Very high	98.8	Very high	49 Å²	49	33.6 Å²	33.6	51%	0.505	21%	0.208	S	C	.	.	H	α-helix	trans	-57	-43.5	-178	0	0	0	0	0	113.2	V206 A207 E208	G204-V206 PolarHBondContact O-N 2.91Å; G204-V206 VanDerWaalsContact O-N 3.09Å; G204-A207 WeakPolarHBondContact O-CB 2.92Å; G204-A207 PolarHBondContact O-N 3.34Å; G204-E208 PolarHBondContact O-N 3.41Å; G204-E208 VanDerWaalsContact O-N 3.12Å
205	Q	98.8	Very high	98.8	Very high	56 Å²	56	39.2 Å²	39.2	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-22.2	178.1	65.3	-174.5	-36.8	0	0	114.2	G170 P174 Q203 A209	G170-Q205 VanDerWaalsContact C-NE2 3.32Å; P174-Q205 HydrophobicContact CG-CB 3.93Å; P174-Q205 HydrophobicContact CG-CG 4.16Å; Q203-Q205 VanDerWaalsContact C-N 3.32Å; Q203-Q205 HydrophobicContact CB-CG 4.28Å; Q203-Q205 PolarHBondContact O-N 3.34Å; Q205-A209 WeakPolarHBondContact O-CB 3.28Å; Q205-A209 PolarHBondContact O-N 3.35Å
206	V	98.9	Very high	98.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-43.4	173.3	173.1	0	0	0	0	110.3	V173 Q203 G204 A209 Y210	V173-V206 HydrophobicContact CB-CG2 3.95Å; V173-V206 HydrophobicContact CG1-CB 4.42Å; V173-V206 HydrophobicContact CG1-CG1 4.2Å; V173-V206 HydrophobicContact CG1-CG2 4.17Å; V173-V206 HydrophobicContact CG2-CG2 3.86Å; Q203-V206 HydrophobicContact CB-CG2 3.94Å; Q203-V206 VanDerWaalsContact O-CB 3.32Å; Q203-V206 WeakPolarHBondContact O-CB 3.39Å; Q203-V206 PolarHBondContact O-N 3.27Å; G204-V206 PolarHBondContact O-N 2.91Å; G204-V206 VanDerWaalsContact O-N 3.09Å; V206-A209 PolarHBondContact O-N 2.86Å; V206-Y210 HydrophobicContact CG1-CE1 3.84Å; V206-Y210 HydrophobicContact CG1-CE2 3.78Å; V206-Y210 VanDerWaalsContact CG1-OH 3.25Å; V206-Y210 WeakPolarHBondContact CG1-OH 3.35Å; V206-Y210 WeakPolarHBondContact O-CD1 3.47Å; V206-Y210 VanDerWaalsContact O-CG 3.31Å; V206-Y210 PolarHBondContact O-N 3.18Å
207	A	98.8	Very high	98.8	Very high	60 Å²	60	51 Å²	51	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-36.4	176.4	0	0	0	0	0	112.2	G204 Y210 N211	G204-A207 WeakPolarHBondContact O-CB 2.92Å; G204-A207 PolarHBondContact O-N 3.34Å; A207-Y210 WeakPolarHBondContact O-CB 3.44Å; A207-Y210 PolarHBondContact O-N 3.44Å; A207-N211 PolarHBondContact O-N 2.99Å; A207-N211 VanDerWaalsContact O-N 3.11Å
208	E	98.9	Very high	98.8	Very high	132 Å²	132	50.2 Å²	50.2	62%	0.617	28%	0.277	S	S	*	.	H	α-helix	trans	-61.2	-45.6	172.3	-65.5	177.3	176.4	0	0	111.4	G204 Y210 N211 L212	G204-E208 PolarHBondContact O-N 3.41Å; G204-E208 VanDerWaalsContact O-N 3.12Å; E208-Y210 VanDerWaalsContact C-N 3.32Å; E208-Y210 PolarHBondContact O-N 3.09Å; E208-N211 PolarHBondContact O-N 3.43Å; E208-L212 PolarHBondContact O-N 3.31Å; E208-L212 VanDerWaalsContact O-N 3.11Å
209	A	98.9	Very high	98.8	Very high	6 Å²	6	50.7 Å²	50.7	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-37.6	176.9	0	0	0	0	0	112.4	V173 P174 A177 Q205 V206 S213 F222	V173-A209 HydrophobicContact CG1-CB 4.07Å; P174-A209 HydrophobicContact CG-CB 4.32Å; A177-A209 HydrophobicContact CB-CB 4.4Å; Q205-A209 WeakPolarHBondContact O-CB 3.28Å; Q205-A209 PolarHBondContact O-N 3.35Å; V206-A209 PolarHBondContact O-N 2.86Å; A209-S213 WeakPolarHBondContact O-CB 3.38Å; A209-S213 PolarHBondContact O-N 2.99Å; A209-S213 PolarHBondContact O-OG 3.48Å; A209-F222 HydrophobicContact CB-CE1 4.41Å; A209-F222 HydrophobicContact CB-CZ 4.49Å
210	Y	98.9	Very high	98.9	Very high	8 Å²	8	49.4 Å²	49.4	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-51.7	172.4	-65.9	-20.7	0	0	0	111.7	Y196 V206 A207 E208 L212 S213 A214 F222 I251 L283	Y196-Y210 VanDerWaalsContact CZ-OH 3.23Å; Y196-Y210 PolarHBondContact OH-OH 2.89Å; V206-Y210 HydrophobicContact CG1-CE1 3.84Å; V206-Y210 HydrophobicContact CG1-CE2 3.78Å; V206-Y210 VanDerWaalsContact CG1-OH 3.25Å; V206-Y210 WeakPolarHBondContact CG1-OH 3.35Å; V206-Y210 WeakPolarHBondContact O-CD1 3.47Å; V206-Y210 VanDerWaalsContact O-CG 3.31Å; V206-Y210 PolarHBondContact O-N 3.18Å; A207-Y210 WeakPolarHBondContact O-CB 3.44Å; A207-Y210 PolarHBondContact O-N 3.44Å; E208-Y210 VanDerWaalsContact C-N 3.32Å; E208-Y210 PolarHBondContact O-N 3.09Å; Y210-L212 PolarHBondContact O-N 2.97Å; Y210-S213 PolarHBondContact O-N 3.39Å; Y210-A214 WeakPolarHBondContact O-CB 3.45Å; Y210-A214 PolarHBondContact O-N 2.89Å; Y210-F222 HydrophobicContact CD1-CD1 4.08Å; Y210-F222 AromaticContact CD1-CD2 3.69Å; Y210-F222 HydrophobicContact CD1-CD2 3.69Å; Y210-F222 HydrophobicContact CD1-CE1 4.1Å; Y210-F222 AromaticContact CD1-CE2 3.71Å; Y210-F222 HydrophobicContact CD1-CE2 3.71Å; Y210-F222 AromaticContact CD1-CG 3.87Å; Y210-F222 HydrophobicContact CD1-CG 3.87Å; Y210-F222 AromaticContact CD1-CZ 3.91Å; Y210-F222 HydrophobicContact CD1-CZ 3.91Å; Y210-F222 HydrophobicContact CE1-CB 3.85Å; Y210-F222 AromaticContact CE1-CD1 3.74Å; Y210-F222 HydrophobicContact CE1-CD1 3.74Å; Y210-F222 AromaticContact CE1-CD2 3.81Å; Y210-F222 HydrophobicContact CE1-CD2 3.81Å; Y210-F222 HydrophobicContact CE1-CE1 4.19Å; Y210-F222 HydrophobicContact CE1-CE2 4.25Å; Y210-F222 AromaticContact CE1-CG 3.52Å; Y210-F222 HydrophobicContact CE1-CG 3.52Å; Y210-F222 HydrophobicContact CE1-CZ 4.41Å; Y210-I251 HydrophobicContact CD1-CD1 3.99Å; Y210-I251 HydrophobicContact CG-CD1 3.93Å; Y210-L283 HydrophobicContact CD1-CD1 4.26Å; Y210-L283 HydrophobicContact CE1-CD1 3.98Å; Y210-L283 HydrophobicContact CE1-CG 4.42Å; Y210-L283 HydrophobicContact CE2-CD2 4.37Å
211	N	98.9	Very high	98.9	Very high	86 Å²	86	49 Å²	49	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-57.5	-51	-177.5	-178.8	64.5	0	0	0	111.8	A207 E208 S213 A214 L215 F250	A207-N211 PolarHBondContact O-N 2.99Å; A207-N211 VanDerWaalsContact O-N 3.11Å; E208-N211 PolarHBondContact O-N 3.43Å; N211-S213 PolarHBondContact O-N 3.41Å; N211-A214 PolarHBondContact O-N 3.06Å; N211-L215 VanDerWaalsContact O-CB 3.26Å; N211-L215 WeakPolarHBondContact O-CB 3.48Å; N211-L215 PolarHBondContact O-N 2.67Å; N211-F250 HydrophobicContact CB-CZ 4.06Å
212	L	98.8	Very high	98.9	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-39.3	178.5	-70.5	179.3	0	0	0	112.4	E208 Y210 A214 L215 W216	E208-L212 PolarHBondContact O-N 3.31Å; E208-L212 VanDerWaalsContact O-N 3.11Å; Y210-L212 PolarHBondContact O-N 2.97Å; L212-A214 PolarHBondContact O-N 3.45Å; L212-L215 HydrophobicContact CD2-CD2 4.47Å; L212-L215 PolarHBondContact O-N 2.72Å; L212-W216 HydrophobicContact CB-CE3 4.23Å; L212-W216 HydrophobicContact CB-CH2 4.47Å; L212-W216 HydrophobicContact CB-CZ3 4.12Å; L212-W216 HydrophobicContact CD1-CH2 4.14Å; L212-W216 HydrophobicContact CD1-CZ3 4.3Å; L212-W216 HydrophobicContact CD2-CH2 3.9Å; L212-W216 HydrophobicContact CD2-CZ2 3.82Å; L212-W216 HydrophobicContact CD2-CZ3 4.39Å; L212-W216 HydrophobicContact CG-CH2 4.4Å; L212-W216 WeakPolarHBondContact O-CB 3.12Å; L212-W216 PolarHBondContact O-N 3.22Å
213	S	98.9	Very high	98.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-39.1	180	-62.3	0	0	0	0	112.5	A177 A209 Y210 N211 K217 L218 F222 P281	A177-S213 WeakPolarHBondContact CB-OG 3.49Å; A209-S213 WeakPolarHBondContact O-CB 3.38Å; A209-S213 PolarHBondContact O-N 2.99Å; A209-S213 PolarHBondContact O-OG 3.48Å; Y210-S213 PolarHBondContact O-N 3.39Å; N211-S213 PolarHBondContact O-N 3.41Å; S213-K217 WeakPolarHBondContact O-CA 3.25Å; S213-K217 PolarHBondContact O-N 3.2Å; S213-L218 PolarHBondContact O-N 3.45Å; S213-F222 WeakPolarHBondContact OG-CZ 3.27Å; S213-P281 WeakPolarHBondContact O-CD 3.36Å
214	A	98.9	Very high	98.9	Very high	30 Å²	30	42 Å²	42	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-48.7	175.5	0	0	0	0	0	110.9	Y210 N211 L212 W216 K217 F250 I251 P281	Y210-A214 WeakPolarHBondContact O-CB 3.45Å; Y210-A214 PolarHBondContact O-N 2.89Å; N211-A214 PolarHBondContact O-N 3.06Å; L212-A214 PolarHBondContact O-N 3.45Å; A214-W216 VanDerWaalsContact C-N 3.27Å; A214-W216 PolarHBondContact O-N 3.44Å; A214-K217 PolarHBondContact O-N 3.31Å; A214-K217 VanDerWaalsContact O-N 3.08Å; A214-F250 HydrophobicContact CB-CD2 3.6Å; A214-F250 HydrophobicContact CB-CE2 3.56Å; A214-I251 HydrophobicContact CB-CD1 4.33Å; A214-I251 HydrophobicContact CB-CG1 4.01Å; A214-P281 HydrophobicContact CB-CG 4.3Å
215	L	98.9	Very high	98.9	Very high	119 Å²	119	40.6 Å²	40.6	62%	0.623	21%	0.208	S	C	*	.	H	α-helix	trans	-54.2	-44.9	178.3	179.9	64	0	0	0	111.6	N211 L212	N211-L215 VanDerWaalsContact O-CB 3.26Å; N211-L215 WeakPolarHBondContact O-CB 3.48Å; N211-L215 PolarHBondContact O-N 2.67Å; L212-L215 HydrophobicContact CD2-CD2 4.47Å; L212-L215 PolarHBondContact O-N 2.72Å
216	W	98.8	Very high	98.9	Very high	119 Å²	119	38.6 Å²	38.6	45%	0.451	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	6.9	-178.4	-60	-26.2	0	0	0	113.8	F181 K184 L212 A214 L218	F181-W216 HydrophobicContact CD2-CE3 4.06Å; F181-W216 HydrophobicContact CD2-CZ3 4.4Å; F181-W216 HydrophobicContact CE2-CE3 4.45Å; K184-W216 PolarHBondContact NZ-O 2.97Å; L212-W216 HydrophobicContact CB-CE3 4.23Å; L212-W216 HydrophobicContact CB-CH2 4.47Å; L212-W216 HydrophobicContact CB-CZ3 4.12Å; L212-W216 HydrophobicContact CD1-CH2 4.14Å; L212-W216 HydrophobicContact CD1-CZ3 4.3Å; L212-W216 HydrophobicContact CD2-CH2 3.9Å; L212-W216 HydrophobicContact CD2-CZ2 3.82Å; L212-W216 HydrophobicContact CD2-CZ3 4.39Å; L212-W216 HydrophobicContact CG-CH2 4.4Å; L212-W216 WeakPolarHBondContact O-CB 3.12Å; L212-W216 PolarHBondContact O-N 3.22Å; A214-W216 VanDerWaalsContact C-N 3.27Å; A214-W216 PolarHBondContact O-N 3.44Å; W216-L218 VanDerWaalsContact C-N 3.31Å; W216-L218 HydrophobicContact CB-CD2 3.65Å; W216-L218 HydrophobicContact CB-CG 3.99Å; W216-L218 HydrophobicContact CE3-CD1 4.29Å; W216-L218 PolarHBondContact O-N 3.49Å
217	K	98.8	Very high	98.9	Very high	130 Å²	130	39.1 Å²	39.1	57%	0.565	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.9	55.5	-176.4	-57.4	-175.9	179.9	-175.5	0	112	K184 S213 A214	K184-K217 PolarHBondContact NZ-O 3.18Å; S213-K217 WeakPolarHBondContact O-CA 3.25Å; S213-K217 PolarHBondContact O-N 3.2Å; A214-K217 PolarHBondContact O-N 3.31Å; A214-K217 VanDerWaalsContact O-N 3.08Å
218	L	98.9	Very high	98.9	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	20%	0.197	C	C	.	.			trans	-75.3	145.1	-178.4	-58.7	-171.3	0	0	0	111.3	A177 A180 F181 K184 S213 W216 C220 G280 P281	A177-L218 HydrophobicContact CB-CD1 4.47Å; A177-L218 WeakPolarHBondContact O-CD1 3.49Å; A180-L218 HydrophobicContact CB-CB 4.2Å; F181-L218 HydrophobicContact CB-CD1 4.05Å; F181-L218 HydrophobicContact CB-CD2 4.11Å; F181-L218 HydrophobicContact CD2-CD2 3.99Å; K184-L218 HydrophobicContact CD-CD2 4.09Å; S213-L218 PolarHBondContact O-N 3.45Å; W216-L218 VanDerWaalsContact C-N 3.31Å; W216-L218 HydrophobicContact CB-CD2 3.65Å; W216-L218 HydrophobicContact CB-CG 3.99Å; W216-L218 HydrophobicContact CE3-CD1 4.29Å; W216-L218 PolarHBondContact O-N 3.49Å; L218-C220 HydrophobicContact CB-CB 4.42Å; L218-C220 PolarHBondContact O-N 2.96Å; L218-G280 CarbonylContact O-C 3.09Å; L218-P281 VanDerWaalsContact O-N 3.11Å
219	P	98.9	Very high	98.9	Very high	13 Å²	13	36 Å²	36	8%	0.084	17%	0.172	C	C	.	.			trans	-77.4	57.1	175.2	34	-37	0	0	0	111.4	A180 R183 K184 I191 C192 C275	A180-P219 HydrophobicContact CB-CG 4.25Å; A180-P219 WeakPolarHBondContact O-CD 3.38Å; A180-P219 WeakPolarHBondContact O-CG 3.28Å; R183-P219 HydrophobicContact CB-CG 4.31Å; K184-P219 HydrophobicContact CB-CG 4.31Å; I191-P219 WeakPolarHBondContact CA-O 3.5Å; I191-P219 HydrophobicContact CG2-CB 4.09Å; C192-P219 PolarHBondContact N-O 3.07Å; P219-C275 HydrophobicContact CB-CB 4.16Å
220	C	98.9	Very high	98.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.8	-176.7	-166.7	0	0	0	0	110.8	A180 C192 L218 F222 P281 I282	A180-C220 HydrophobicContact CB-CB 3.64Å; C192-C220 WeakPolarHBondContact O-CA 3.46Å; L218-C220 HydrophobicContact CB-CB 4.42Å; L218-C220 PolarHBondContact O-N 2.96Å; C220-F222 HydrophobicContact CB-CE2 4.22Å; C220-F222 HydrophobicContact CB-CZ 4.23Å; C220-P281 HydrophobicContact CB-CB 4.49Å; C220-P281 WeakPolarHBondContact O-CA 3.47Å; C220-P281 VanDerWaalsContact O-CB 3.3Å; C220-P281 WeakPolarHBondContact O-CB 3.47Å; C220-I282 PolarHBondContact O-N 3.38Å
221	V	98.9	Very high	98.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110.7	170.2	-174.4	0	0	0	0	107.7	I191 C192 L193 A194 I223 A271 I282 M284	I191-V221 HydrophobicContact CD1-CG2 4.2Å; C192-V221 PolarHBondContact O-N 3.17Å; L193-V221 HydrophobicContact CD2-CB 3.63Å; L193-V221 HydrophobicContact CD2-CG1 4.17Å; L193-V221 HydrophobicContact CD2-CG2 3.81Å; A194-V221 PolarHBondContact N-O 3.25Å; V221-I223 HydrophobicContact CG1-CD1 4.2Å; V221-I223 HydrophobicContact CG1-CG1 3.86Å; V221-A271 HydrophobicContact CG1-CB 3.89Å; V221-A271 HydrophobicContact CG2-CB 4.11Å; V221-I282 WeakPolarHBondContact CA-O 3.44Å; V221-I282 HydrophobicContact CB-CG2 4.38Å; V221-I282 HydrophobicContact CG1-CG2 4.07Å; V221-I282 HydrophobicContact CG2-CG2 4.04Å; V221-M284 HydrophobicContact CG1-CB 4.44Å; V221-M284 HydrophobicContact CG1-CE 4.44Å
222	F	99	Very high	98.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.9	177.6	-69.2	-69.4	0	0	0	109.7	V173 A177 A194 Y196 A209 Y210 S213 C220 I251 P281 I282 L283 M284	V173-F222 HydrophobicContact CG1-CD1 3.77Å; V173-F222 HydrophobicContact CG1-CE1 3.61Å; A177-F222 HydrophobicContact CB-CZ 4.43Å; A194-F222 HydrophobicContact CB-CD1 4.16Å; A194-F222 HydrophobicContact CB-CE1 4.44Å; Y196-F222 HydrophobicContact CE1-CB 4.11Å; A209-F222 HydrophobicContact CB-CE1 4.41Å; A209-F222 HydrophobicContact CB-CZ 4.49Å; Y210-F222 HydrophobicContact CD1-CD1 4.08Å; Y210-F222 AromaticContact CD1-CD2 3.69Å; Y210-F222 HydrophobicContact CD1-CD2 3.69Å; Y210-F222 HydrophobicContact CD1-CE1 4.1Å; Y210-F222 AromaticContact CD1-CE2 3.71Å; Y210-F222 HydrophobicContact CD1-CE2 3.71Å; Y210-F222 AromaticContact CD1-CG 3.87Å; Y210-F222 HydrophobicContact CD1-CG 3.87Å; Y210-F222 AromaticContact CD1-CZ 3.91Å; Y210-F222 HydrophobicContact CD1-CZ 3.91Å; Y210-F222 HydrophobicContact CE1-CB 3.85Å; Y210-F222 AromaticContact CE1-CD1 3.74Å; Y210-F222 HydrophobicContact CE1-CD1 3.74Å; Y210-F222 AromaticContact CE1-CD2 3.81Å; Y210-F222 HydrophobicContact CE1-CD2 3.81Å; Y210-F222 HydrophobicContact CE1-CE1 4.19Å; Y210-F222 HydrophobicContact CE1-CE2 4.25Å; Y210-F222 AromaticContact CE1-CG 3.52Å; Y210-F222 HydrophobicContact CE1-CG 3.52Å; Y210-F222 HydrophobicContact CE1-CZ 4.41Å; S213-F222 WeakPolarHBondContact OG-CZ 3.27Å; C220-F222 HydrophobicContact CB-CE2 4.22Å; C220-F222 HydrophobicContact CB-CZ 4.23Å; F222-I251 HydrophobicContact CD2-CD1 4.37Å; F222-I251 HydrophobicContact CE2-CD1 4.19Å; F222-P281 HydrophobicContact CD2-CB 4.09Å; F222-P281 HydrophobicContact CE2-CB 3.77Å; F222-I282 PolarHBondContact N-O 2.89Å; F222-L283 HydrophobicContact CB-CD1 3.9Å; F222-L283 HydrophobicContact CB-CG 3.96Å; F222-L283 HydrophobicContact CD2-CD1 3.98Å; F222-L283 HydrophobicContact CG-CD1 4.32Å; F222-L283 CarbonylContact O-C 3.58Å; F222-L283 WeakPolarHBondContact O-CA 3.47Å; F222-M284 PolarHBondContact O-N 3.3Å
223	I	99	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.2	-172	-59.9	166.5	0	0	0	110.3	L106 L193 A194 L195 Y196 V221 E225 M284 L286	L106-I223 HydrophobicContact CD1-CD1 4.26Å; L106-I223 HydrophobicContact CD2-CD1 3.63Å; L193-I223 HydrophobicContact CB-CD1 3.88Å; L193-I223 HydrophobicContact CD1-CD1 4.19Å; L193-I223 HydrophobicContact CD2-CD1 4.12Å; L193-I223 HydrophobicContact CG-CD1 4.29Å; A194-I223 PolarHBondContact O-N 2.97Å; L195-I223 CarbonylContact C-O 3.45Å; L195-I223 WeakPolarHBondContact CA-O 3.46Å; L195-I223 HydrophobicContact CD1-CD1 3.97Å; L195-I223 HydrophobicContact CG-CB 3.97Å; L195-I223 HydrophobicContact CG-CD1 4.16Å; L195-I223 HydrophobicContact CG-CG2 4.17Å; Y196-I223 WeakPolarHBondContact CD1-O 3.41Å; Y196-I223 WeakPolarHBondContact CE1-O 3.43Å; Y196-I223 PolarHBondContact N-O 3.23Å; V221-I223 HydrophobicContact CG1-CD1 4.2Å; V221-I223 HydrophobicContact CG1-CG1 3.86Å; I223-E225 HydrophobicContact CG2-CG 4.43Å; I223-M284 CarbonylContact C-O 3.49Å; I223-M284 VanDerWaalsContact CA-O 3.25Å; I223-M284 WeakPolarHBondContact CA-O 3.46Å; I223-M284 HydrophobicContact CD1-CE 3.78Å; I223-M284 HydrophobicContact CG1-CB 4.29Å; I223-M284 HydrophobicContact CG1-CE 3.82Å; I223-L286 HydrophobicContact CG2-CD1 3.87Å; I223-L286 HydrophobicContact CG2-CG 3.88Å
224	C	98.9	Very high	98.8	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	108.2	171.1	-173.7	0	0	0	0	109.9	Y196 N226 M284 L286	Y196-C224 HydrophobicContact CD2-CB 4.37Å; Y196-C224 HydrophobicContact CE2-CB 3.62Å; Y196-C224 CarbonylContact O-C 3.09Å; Y196-C224 VanDerWaalsContact O-CA 3.27Å; Y196-C224 WeakPolarHBondContact O-CA 3.43Å; C224-N226 PolarHBondContact O-N 3Å; C224-N226 VanDerWaalsContact O-N 3.1Å; C224-M284 PolarHBondContact N-O 2.97Å; C224-L286 PolarHBondContact O-N 3.24Å
225	E	98.9	Very high	98.7	Very high	18 Å²	18	37.8 Å²	37.8	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	85.4	169.2	-67.6	-177	121.8	0	0	109.3	L195 Y196 I223 N227	L195-E225 HydrophobicContact CD2-CG 4.43Å; Y196-E225 PolarHBondContact O-N 3.19Å; I223-E225 HydrophobicContact CG2-CG 4.43Å; E225-N227 PolarHBondContact O-N 3.41Å
226	N	98.9	Very high	98.7	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.08	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	98.1	-179.5	-179.9	5.3	0	0	0	109.6	D198 C224 R228 Y244 E285 L286 T288	D198-N226 HydrophobicContact CB-CB 4.39Å; C224-N226 PolarHBondContact O-N 3Å; C224-N226 VanDerWaalsContact O-N 3.1Å; N226-R228 PolarHBondContact OD1-N 3.02Å; N226-Y244 HydrophobicContact CB-CD2 4.22Å; N226-Y244 WeakPolarHBondContact ND2-CD2 3.43Å; N226-E285 HydrophobicContact CB-CG 4.12Å; N226-E285 PolarHBondContact ND2-OE1 3.09Å; N226-L286 PolarHBondContact N-O 3.24Å; N226-T288 PolarHBondContact O-N 3.2Å
227	N	98.7	Very high	98.7	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.064	20%	0.2	C	C	.	.			trans	-101	16.5	175.7	66.5	76.5	0	0	0	112.8	D198 E225 Y229 T288 R290	D198-N227 PolarHBondContact OD1-N 3.09Å; E225-N227 PolarHBondContact O-N 3.41Å; N227-Y229 PolarHBondContact O-N 3.25Å; N227-Y229 PolarHBondContact OD1-O 3.27Å; N227-T288 WeakPolarHBondContact CA-O 3.1Å; N227-T288 HydrophobicContact CB-CG2 4.25Å; N227-R290 HydrophobicContact CB-CG 4.29Å; N227-R290 PolarHBondContact OD1-NE 3.24Å
228	R	98.7	Very high	98.7	Very high	105 Å²	105	37 Å²	37	40%	0.396	19%	0.189	S	C	.	.	S	Bend	trans	73.4	-8.9	179.1	-49.2	-174.2	-175.9	171.8	-2.6	116.7	N226 A234 T235 Y289 E308	N226-R228 PolarHBondContact OD1-N 3.02Å; R228-A234 WeakPolarHBondContact O-CA 3.25Å; R228-T235 PolarHBondContact O-N 3.44Å; R228-Y289 HydrophobicContact CG-CD2 4.49Å; R228-E308 IonicContact NH1-OE1 2.74Å
229	Y	98.8	Very high	98.6	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.082	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	113.9	-173	-59.9	-83.5	0	0	0	113.7	D198 N227 M231 T233 A234 Y289 R290 Y303 R304 E308	D198-Y229 VanDerWaalsContact OD2-C 3.24Å; D198-Y229 PolarHBondContact OD2-N 2.92Å; N227-Y229 PolarHBondContact O-N 3.25Å; N227-Y229 PolarHBondContact OD1-O 3.27Å; Y229-M231 PolarHBondContact O-N 2.91Å; Y229-T233 WeakPolarHBondContact CA-O 3.38Å; Y229-A234 HydrophobicContact CD1-CB 4.05Å; Y229-A234 HydrophobicContact CE1-CB 3.85Å; Y229-Y289 HydrophobicContact CE2-CE2 4.3Å; Y229-R290 VanDerWaalsContact CB-NH2 3.34Å; Y229-Y303 AromaticContact CD1-CD2 3.61Å; Y229-Y303 HydrophobicContact CD1-CD2 3.61Å; Y229-Y303 HydrophobicContact CD1-CE2 4.01Å; Y229-Y303 AromaticContact CE1-CD2 3.89Å; Y229-Y303 HydrophobicContact CE1-CD2 3.89Å; Y229-Y303 HydrophobicContact CG-CD2 4.16Å; Y229-Y303 HydrophobicContact CG-CE2 4.08Å; Y229-R304 HydrophobicContact CE1-CB 4.19Å; Y229-R304 HydrophobicContact CE2-CB 4.25Å; Y229-R304 WeakPolarHBondContact OH-CB 3.43Å; Y229-E308 PolarHBondContact OH-OE1 3.03Å; Y229-E308 VanDerWaalsContact OH-OE1 3.11Å; Y229-E308 PolarHBondContact OH-OE2 3.24Å
230	G	98.4	Very high	98.6	Very high	22 Å²	22	42.5 Å²	42.5	23%	0.227	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	96.6	165.2	0	0	0	0	0	110.3	D198 G232 T233	D198-G230 PolarHBondContact OD2-N 2.77Å; G230-G232 PolarHBondContact O-N 3.19Å; G230-T233 PolarHBondContact N-O 3.45Å; G230-T233 PolarHBondContact O-N 3.23Å
231	M	98.3	Very high	98.6	Very high	120 Å²	120	45 Å²	45	59%	0.591	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-97.8	-168.4	-173.9	-177.4	-178.3	0	0	111.4	Y229 R290 H294 Y303	Y229-M231 PolarHBondContact O-N 2.91Å; M231-R290 PolarHBondContact O-NH2 3.45Å; M231-H294 WeakPolarHBondContact CA-ND1 3.47Å; M231-H294 HydrophobicContact CB-CB 4.47Å; M231-H294 HydrophobicContact CG-CB 4.07Å; M231-Y303 PolarHBondContact O-OH 2.86Å
232	G	98	Very high	98.6	Very high	21 Å²	21	47.5 Å²	47.5	22%	0.216	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	3.2	176.2	0	0	0	0	0	114.4	G230 Y303	G230-G232 PolarHBondContact O-N 3.19Å; G232-Y303 VanDerWaalsContact CA-CD1 3.5Å; G232-Y303 VanDerWaalsContact O-CB 3.28Å; G232-Y303 WeakPolarHBondContact O-CB 3.28Å
233	T	98.7	Very high	98.6	Very high	55 Å²	55	50.6 Å²	50.6	34%	0.337	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.8	-178	-52.4	0	0	0	0	109.7	Y229 G230 R237 A238	Y229-T233 WeakPolarHBondContact CA-O 3.38Å; G230-T233 PolarHBondContact N-O 3.45Å; G230-T233 PolarHBondContact O-N 3.23Å; T233-R237 HydrophobicContact CG2-CB 3.79Å; T233-A238 HydrophobicContact CG2-CB 3.9Å
234	A	98.6	Very high	98.6	Very high	16 Å²	16	50.7 Å²	50.7	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	152.5	175.3	0	0	0	0	0	111.8	R228 Y229 E236 R237 A238	R228-A234 WeakPolarHBondContact O-CA 3.25Å; Y229-A234 HydrophobicContact CD1-CB 4.05Å; Y229-A234 HydrophobicContact CE1-CB 3.85Å; A234-E236 VanDerWaalsContact C-N 3.27Å; A234-E236 PolarHBondContact O-N 3.4Å; A234-R237 WeakPolarHBondContact O-CB 3.46Å; A234-R237 PolarHBondContact O-N 3.15Å; A234-A238 PolarHBondContact O-N 3.42Å; A234-A238 VanDerWaalsContact O-N 3.15Å
235	T	98.3	Very high	98.6	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-54.7	-40.6	-177.1	37.1	0	0	0	0	113.5	D198 R228 R237 A238 A239 Y244	D198-T235 HydrophobicContact CB-CG2 3.79Å; R228-T235 PolarHBondContact O-N 3.44Å; T235-R237 PolarHBondContact O-N 2.92Å; T235-A238 PolarHBondContact O-N 3.26Å; T235-A239 PolarHBondContact O-N 3.29Å; T235-Y244 WeakPolarHBondContact CB-OH 3.36Å; T235-Y244 HydrophobicContact CG2-CE2 3.8Å; T235-Y244 WeakPolarHBondContact CG2-OH 3.31Å
236	E	98.1	Very high	98.6	Very high	129 Å²	129	53 Å²	53	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-68.4	-20.5	-178.8	-57	66.4	-137	0	0	112.3	A234 T242	A234-E236 VanDerWaalsContact C-N 3.27Å; A234-E236 PolarHBondContact O-N 3.4Å; E236-T242 HydrophobicContact CG-CG2 4.44Å
237	R	98.5	Very high	98.6	Very high	183 Å²	183	56.3 Å²	56.3	69%	0.691	30%	0.304	S	S	*	.	H	α-helix	trans	-95.1	-18.4	177.7	-64.5	174.6	58.9	-139.9	-5.7	112.7	T233 A234 T235	T233-R237 HydrophobicContact CG2-CB 3.79Å; A234-R237 WeakPolarHBondContact O-CB 3.46Å; A234-R237 PolarHBondContact O-N 3.15Å; T235-R237 PolarHBondContact O-N 2.92Å
238	A	98.4	Very high	98.5	Very high	40 Å²	40	55.8 Å²	55.8	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-102.7	-30.4	-175.7	0	0	0	0	0	113.2	N202 T233 A234 T235	N202-A238 PolarHBondContact ND2-O 3.49Å; T233-A238 HydrophobicContact CG2-CB 3.9Å; A234-A238 PolarHBondContact O-N 3.42Å; A234-A238 VanDerWaalsContact O-N 3.15Å; T235-A238 PolarHBondContact O-N 3.26Å
239	A	98.6	Very high	98.5	Very high	7 Å²	7	55.1 Å²	55.1	6%	0.058	31%	0.306	C	S	.	.			trans	-126.6	129	-175.7	0	0	0	0	0	111.1	T235 S241 Y244	T235-A239 PolarHBondContact O-N 3.29Å; A239-S241 WeakPolarHBondContact CB-O 3.46Å; A239-S241 PolarHBondContact O-N 2.89Å; A239-Y244 HydrophobicContact CB-CE1 4.3Å
240	A	98.6	Very high	98.5	Very high	124 Å²	124	59 Å²	59	100%	1.025	32%	0.323	S	S	*	.	S	Bend	trans	-63.2	-27.6	174.9	0	0	0	0	0	112.7
241	S	98.3	Very high	98.5	Very high	52 Å²	52	58 Å²	58	36%	0.364	31%	0.313	S	S	.	.			trans	-127.2	123.1	167.4	174.3	0	0	0	0	109.2	A239 E243	A239-S241 WeakPolarHBondContact CB-O 3.46Å; A239-S241 PolarHBondContact O-N 2.89Å; S241-E243 VanDerWaalsContact C-N 3.29Å; S241-E243 PolarHBondContact OG-N 3.07Å
242	T	98.6	Very high	98.6	Very high	52 Å²	52	53 Å²	53	32%	0.319	29%	0.289	S	S	.	.			trans	-90.5	10.7	178.4	55.7	0	0	0	0	112.8	E236 Y244	E236-T242 HydrophobicContact CG-CG2 4.44Å; T242-Y244 VanDerWaalsContact O-CD2 3.29Å; T242-Y244 WeakPolarHBondContact O-CD2 3.31Å; T242-Y244 PolarHBondContact O-N 2.92Å
243	E	98.6	Very high	98.6	Very high	65 Å²	65	52 Å²	52	30%	0.304	28%	0.279	S	S	.	.			trans	-87.7	73.8	174.5	-59.1	-164.1	99.1	0	0	110.6	S241 H245 K246	S241-E243 VanDerWaalsContact C-N 3.29Å; S241-E243 PolarHBondContact OG-N 3.07Å; E243-H245 VanDerWaalsContact C-N 3.31Å; E243-H245 PolarHBondContact O-N 3.22Å; E243-K246 HydrophobicContact CB-CB 4.38Å; E243-K246 HydrophobicContact CB-CD 4.04Å; E243-K246 HydrophobicContact CB-CG 4.15Å; E243-K246 WeakPolarHBondContact O-CB 3.36Å; E243-K246 PolarHBondContact O-N 3.24Å; E243-K246 WeakPolarHBondContact OE1-CE 3.03Å; E243-K246 IonicContact OE1-NZ 2.73Å; E243-K246 PolarHBondContact OE1-NZ 3.04Å; E243-K246 WeakPolarHBondContact OE2-CD 3.29Å; E243-K246 IonicContact OE2-NZ 2.88Å; E243-K246 PolarHBondContact OE2-NZ 2.93Å
244	Y	98.9	Very high	98.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.008	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.5	-35.8	-170.2	-64.2	-76.1	0	0	0	114	D198 A201 N226 T235 A239 T242 K246 R247 E285	D198-Y244 HydrophobicContact CB-CE1 4.21Å; D198-Y244 HydrophobicContact CB-CE2 3.96Å; A201-Y244 HydrophobicContact CB-CD1 3.55Å; A201-Y244 HydrophobicContact CB-CE1 3.77Å; N226-Y244 HydrophobicContact CB-CD2 4.22Å; N226-Y244 WeakPolarHBondContact ND2-CD2 3.43Å; T235-Y244 WeakPolarHBondContact CB-OH 3.36Å; T235-Y244 HydrophobicContact CG2-CE2 3.8Å; T235-Y244 WeakPolarHBondContact CG2-OH 3.31Å; A239-Y244 HydrophobicContact CB-CE1 4.3Å; T242-Y244 VanDerWaalsContact O-CD2 3.29Å; T242-Y244 WeakPolarHBondContact O-CD2 3.31Å; T242-Y244 PolarHBondContact O-N 2.92Å; Y244-K246 PolarHBondContact O-N 3.29Å; Y244-K246 VanDerWaalsContact O-N 3.13Å; Y244-R247 WeakPolarHBondContact O-CB 3.31Å; Y244-R247 PolarHBondContact O-N 2.97Å; Y244-R247 VanDerWaalsContact O-N 3.14Å; Y244-E285 PolarHBondContact N-OE2 3.39Å
245	H	98.9	Very high	98.6	Very high	2 Å²	2	51 Å²	51	1%	0.009	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-60.9	-16.9	174.3	66.7	-70.7	0	0	0	114.4	E243 L254 R255 E285	E243-H245 VanDerWaalsContact C-N 3.31Å; E243-H245 PolarHBondContact O-N 3.22Å; H245-L254 WeakPolarHBondContact CB-O 3.25Å; H245-R255 HydrophobicContact CB-CB 4.37Å; H245-E285 HydrophobicContact CB-CB 3.8Å; H245-E285 IonicContact CG-OE2 3.97Å; H245-E285 PolarHBondContact N-OE2 3.17Å; H245-E285 VanDerWaalsContact N-OE2 3.12Å; H245-E285 IonicContact ND1-OE2 2.85Å; H245-E285 PolarHBondContact ND1-OE2 2.86Å
246	K	98.9	Very high	98.7	Very high	66 Å²	66	50.9 Å²	50.9	29%	0.287	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-97.4	-9.7	178.1	-56	-172.7	-178.6	165	0	113.7	Y46 E243 Y244 G248 N249	Y46-K246 HydrophobicContact CD1-CB 4.22Å; Y46-K246 HydrophobicContact CD1-CG 4.26Å; Y46-K246 HydrophobicContact CD2-CB 4.25Å; Y46-K246 HydrophobicContact CD2-CD 3.88Å; Y46-K246 HydrophobicContact CD2-CG 3.75Å; Y46-K246 HydrophobicContact CE1-CB 4.34Å; Y46-K246 HydrophobicContact CE2-CB 4.38Å; Y46-K246 HydrophobicContact CE2-CD 4.29Å; Y46-K246 HydrophobicContact CE2-CG 4.31Å; Y46-K246 HydrophobicContact CG-CB 4.16Å; Y46-K246 HydrophobicContact CG-CD 4.36Å; Y46-K246 HydrophobicContact CG-CG 3.73Å; E243-K246 HydrophobicContact CB-CB 4.38Å; E243-K246 HydrophobicContact CB-CD 4.04Å; E243-K246 HydrophobicContact CB-CG 4.15Å; E243-K246 WeakPolarHBondContact O-CB 3.36Å; E243-K246 PolarHBondContact O-N 3.24Å; E243-K246 WeakPolarHBondContact OE1-CE 3.03Å; E243-K246 IonicContact OE1-NZ 2.73Å; E243-K246 PolarHBondContact OE1-NZ 3.04Å; E243-K246 WeakPolarHBondContact OE2-CD 3.29Å; E243-K246 IonicContact OE2-NZ 2.88Å; E243-K246 PolarHBondContact OE2-NZ 2.93Å; Y244-K246 PolarHBondContact O-N 3.29Å; Y244-K246 VanDerWaalsContact O-N 3.13Å; K246-G248 PolarHBondContact O-N 3.11Å; K246-G248 VanDerWaalsContact O-N 3.13Å; K246-N249 PolarHBondContact O-N 2.62Å
247	R	98.7	Very high	98.7	Very high	84 Å²	84	46.9 Å²	46.9	32%	0.317	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.2	-172.5	-65.7	-69	-62.6	-82.1	-6.1	113.6	A201 N202 Y244 N249	A201-R247 PolarHBondContact O-NH2 3.3Å; N202-R247 PolarHBondContact OD1-NH1 2.89Å; N202-R247 PolarHBondContact OD1-NH2 2.94Å; Y244-R247 WeakPolarHBondContact O-CB 3.31Å; Y244-R247 PolarHBondContact O-N 2.97Å; Y244-R247 VanDerWaalsContact O-N 3.14Å; R247-N249 PolarHBondContact O-N 3.01Å
248	G	98.4	Very high	98.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.6	171.5	0	0	0	0	0	114.5	K246 F250 I251 L283	K246-G248 PolarHBondContact O-N 3.11Å; K246-G248 VanDerWaalsContact O-N 3.13Å; G248-F250 VanDerWaalsContact C-N 3.31Å; G248-F250 PolarHBondContact O-N 2.64Å; G248-I251 PolarHBondContact O-N 2.81Å; G248-L283 VanDerWaalsContact N-CD2 3.32Å
249	N	98.4	Very high	98.7	Very high	91 Å²	91	36.6 Å²	36.6	49%	0.487	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-78.4	179.1	-175.2	-11.4	0	0	0	114.3	Y46 R47 K246 R247 I251	Y46-N249 WeakPolarHBondContact CE1-O 3.5Å; Y46-N249 PolarHBondContact OH-O 2.85Å; R47-N249 WeakPolarHBondContact CD-O 3.32Å; R47-N249 PolarHBondContact NE-O 3.23Å; K246-N249 PolarHBondContact O-N 2.62Å; R247-N249 PolarHBondContact O-N 3.01Å; N249-I251 VanDerWaalsContact C-N 3.34Å
250	F	98.6	Very high	98.8	Very high	102 Å²	102	36.9 Å²	36.9	45%	0.447	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.6	176.4	43.8	-98.9	0	0	0	112.9	N211 A214 G248	N211-F250 HydrophobicContact CB-CZ 4.06Å; A214-F250 HydrophobicContact CB-CD2 3.6Å; A214-F250 HydrophobicContact CB-CE2 3.56Å; G248-F250 VanDerWaalsContact C-N 3.31Å; G248-F250 PolarHBondContact O-N 2.64Å
251	I	98.9	Very high	98.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.153	C	C	.	.	S	Bend	trans	-85.9	131.3	174.8	-54.7	-177.3	0	0	0	109.9	Y210 A214 F222 G248 N249 P281 L283	Y210-I251 HydrophobicContact CD1-CD1 3.99Å; Y210-I251 HydrophobicContact CG-CD1 3.93Å; A214-I251 HydrophobicContact CB-CD1 4.33Å; A214-I251 HydrophobicContact CB-CG1 4.01Å; F222-I251 HydrophobicContact CD2-CD1 4.37Å; F222-I251 HydrophobicContact CE2-CD1 4.19Å; G248-I251 PolarHBondContact O-N 2.81Å; N249-I251 VanDerWaalsContact C-N 3.34Å; I251-P281 HydrophobicContact CD1-CB 4.3Å; I251-P281 HydrophobicContact CD1-CG 3.83Å; I251-P281 HydrophobicContact CG1-CG 4.17Å; I251-P281 HydrophobicContact CG2-CB 4.26Å; I251-P281 HydrophobicContact CG2-CG 4.1Å; I251-P281 WeakPolarHBondContact CG2-O 3.17Å; I251-L283 HydrophobicContact CB-CD1 3.83Å; I251-L283 HydrophobicContact CD1-CD1 4.07Å; I251-L283 HydrophobicContact CG2-CD1 3.49Å; I251-L283 VanDerWaalsContact CG2-CD1 3.49Å
252	P	98.9	Very high	98.8	Very high	14 Å²	14	28.6 Å²	28.6	9%	0.091	14%	0.136	C	C	.	.			trans	-64.3	153.7	173.1	26.4	-32.9	0	0	0	111.6	Y46 R47 L48 Y274 I282 L283	Y46-P252 CarbonylContact O-C 3.54Å; Y46-P252 VanDerWaalsContact O-CA 3.31Å; Y46-P252 WeakPolarHBondContact O-CA 3.34Å; R47-P252 HydrophobicContact CB-CB 4.28Å; L48-P252 HydrophobicContact CD1-CB 4.43Å; L48-P252 HydrophobicContact CD2-CB 3.76Å; L48-P252 HydrophobicContact CD2-CG 4.42Å; L48-P252 HydrophobicContact CG-CB 3.81Å; P252-Y274 HydrophobicContact CG-CE1 4.29Å; P252-Y274 HydrophobicContact CG-CE2 4.39Å; P252-Y274 WeakPolarHBondContact CG-OH 3.41Å; P252-I282 HydrophobicContact CG-CG1 4.38Å; P252-I282 WeakPolarHBondContact O-CG1 3.27Å; P252-L283 PolarHBondContact O-N 3.22Å
253	G	98.9	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163.5	179.2	0	0	0	0	0	114.7	Y46 L283	Y46-G253 PolarHBondContact N-O 3.15Å; Y46-G253 PolarHBondContact O-N 3Å; G253-L283 CarbonylContact C-O 3.54Å; G253-L283 WeakPolarHBondContact CA-O 3.47Å
254	L	98.9	Very high	98.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146	176.6	57.6	144	0	0	0	112	C43 D44 L45 L48 P52 H245 V256 A267 F270 I282 L283 M284 E285	C43-L254 HydrophobicContact CB-CB 4.23Å; C43-L254 HydrophobicContact CB-CD1 4.41Å; D44-L254 CarbonylContact O-C 2.87Å; D44-L254 VanDerWaalsContact O-CA 3.25Å; D44-L254 WeakPolarHBondContact O-CA 3.4Å; L45-L254 HydrophobicContact CD2-CB 4.02Å; L48-L254 HydrophobicContact CD1-CD2 4.21Å; P52-L254 HydrophobicContact CG-CD1 3.8Å; H245-L254 WeakPolarHBondContact CB-O 3.25Å; L254-V256 HydrophobicContact CD1-CG2 3.75Å; L254-V256 HydrophobicContact CG-CG2 4.4Å; L254-A267 HydrophobicContact CD1-CB 3.77Å; L254-F270 HydrophobicContact CD2-CD1 4.26Å; L254-F270 HydrophobicContact CD2-CE1 4.26Å; L254-I282 HydrophobicContact CD2-CD1 3.54Å; L254-I282 HydrophobicContact CD2-CG1 4.01Å; L254-L283 PolarHBondContact N-O 2.82Å; L254-M284 HydrophobicContact CD1-CG 4.43Å; L254-M284 HydrophobicContact CD1-SD 4.45Å; L254-M284 HydrophobicContact CG-CG 4.36Å; L254-M284 WeakPolarHBondContact O-CA 3.44Å; L254-E285 PolarHBondContact O-N 3.17Å
255	R	98.9	Very high	98.8	Very high	51 Å²	51	23.2 Å²	23.2	19%	0.192	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.6	174.2	-171.1	163.3	64.7	-161.5	-3.8	110.8	C43 D44 H245 E285 Q287	C43-R255 VanDerWaalsContact CA-O 3.27Å; C43-R255 WeakPolarHBondContact CA-O 3.48Å; C43-R255 VanDerWaalsContact CB-O 3.3Å; C43-R255 WeakPolarHBondContact CB-O 3.38Å; D44-R255 HydrophobicContact CB-CB 4.11Å; D44-R255 PolarHBondContact N-O 2.88Å; D44-R255 PolarHBondContact O-N 3.26Å; D44-R255 IonicContact OD2-CZ 2.99Å; D44-R255 IonicContact OD2-NE 2.63Å; D44-R255 PolarHBondContact OD2-NE 2.81Å; D44-R255 IonicContact OD2-NH2 3.87Å; D44-R255 PolarHBondContact OD2-NH2 3.18Å; H245-R255 HydrophobicContact CB-CB 4.37Å; R255-E285 HydrophobicContact CB-CB 4.45Å; R255-E285 VanDerWaalsContact CD-OE2 3.3Å; R255-E285 WeakPolarHBondContact CD-OE2 3.39Å; R255-E285 HydrophobicContact CG-CB 4.22Å; R255-E285 HydrophobicContact CG-CG 4.21Å; R255-Q287 HydrophobicContact CG-CG 3.77Å
256	V	98.9	Very high	98.8	Very high	2 Å²	2	24 Å²	24	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.2	-167.9	-171.8	0	0	0	0	109.9	L254 G258 C263 V264 A267 M284 E285 L286 Q287	L254-V256 HydrophobicContact CD1-CG2 3.75Å; L254-V256 HydrophobicContact CG-CG2 4.4Å; V256-G258 PolarHBondContact O-N 3.1Å; V256-C263 HydrophobicContact CG1-CB 4Å; V256-V264 HydrophobicContact CG1-CG2 4.43Å; V256-A267 HydrophobicContact CB-CB 4.37Å; V256-A267 HydrophobicContact CG1-CB 3.87Å; V256-A267 HydrophobicContact CG2-CB 3.5Å; V256-M284 HydrophobicContact CG2-CG 3.7Å; V256-M284 HydrophobicContact CG2-SD 4.02Å; V256-E285 PolarHBondContact N-O 3.04Å; V256-L286 HydrophobicContact CB-CD2 3.77Å; V256-L286 HydrophobicContact CG1-CD2 4.09Å; V256-L286 HydrophobicContact CG2-CD2 4.15Å; V256-Q287 PolarHBondContact O-N 3.21Å
257	N	98.9	Very high	98.8	Very high	45 Å²	45	20.9 Å²	20.9	24%	0.241	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	98.9	166.6	-179.2	12.5	0	0	0	110.2	K41 M259 D260 C263	K41-N257 HydrophobicContact CD-CB 4.31Å; N257-M259 PolarHBondContact O-N 3.04Å; N257-M259 WeakPolarHBondContact OD1-CB 3.42Å; N257-M259 PolarHBondContact OD1-N 2.9Å; N257-M259 VanDerWaalsContact OD1-N 3.15Å; N257-D260 PolarHBondContact O-N 2.81Å; N257-C263 HydrophobicContact CB-CB 4.21Å
258	G	98.9	Very high	98.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	1.6	179.7	0	0	0	0	0	114.8	A101 C102 V256 Q287 T288	A101-G258 WeakPolarHBondContact CB-O 3.49Å; C102-G258 PolarHBondContact SG-O 3.05Å; C102-G258 VanDerWaalsContact SG-O 3.36Å; V256-G258 PolarHBondContact O-N 3.1Å; G258-Q287 WeakPolarHBondContact CA-O 3.44Å; G258-Q287 PolarHBondContact N-O 2.7Å; G258-T288 PolarHBondContact O-OG1 3.1Å
259	M	98.9	Very high	98.9	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.034	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-13.4	173.6	-53.1	-56.7	-65.1	0	0	112.8	G98 N257 M312 S316 P318 L321	G98-M259 VanDerWaalsContact O-CE 3.29Å; G98-M259 WeakPolarHBondContact O-CE 3.2Å; N257-M259 PolarHBondContact O-N 3.04Å; N257-M259 WeakPolarHBondContact OD1-CB 3.42Å; N257-M259 PolarHBondContact OD1-N 2.9Å; N257-M259 VanDerWaalsContact OD1-N 3.15Å; M259-M312 HydrophobicContact CE-CE 4.46Å; M259-S316 WeakPolarHBondContact CE-O 3.17Å; M259-P318 WeakPolarHBondContact O-CA 3.5Å; M259-P318 WeakPolarHBondContact O-CB 3.29Å; M259-L321 HydrophobicContact CB-CD1 4.44Å
260	D	98.9	Very high	98.9	Very high	13 Å²	13	18.6 Å²	18.6	7%	0.07	9%	0.086	C	C	.	.			trans	-107.9	111.9	178.6	-177.6	-20.6	0	0	0	110.2	N257 L262 C263 V264 R325	N257-D260 PolarHBondContact O-N 2.81Å; D260-L262 PolarHBondContact O-N 3.33Å; D260-L262 VanDerWaalsContact O-N 3.16Å; D260-L262 PolarHBondContact OD1-N 3.39Å; D260-C263 HydrophobicContact CB-CB 3.94Å; D260-C263 WeakPolarHBondContact O-CB 3.39Å; D260-C263 PolarHBondContact O-N 3.43Å; D260-C263 PolarHBondContact OD1-N 2.81Å; D260-C263 PolarHBondContact OD2-SG 2.76Å; D260-V264 PolarHBondContact O-N 3.5Å; D260-R325 IonicContact OD1-CZ 2.74Å; D260-R325 IonicContact OD1-NH1 3.36Å; D260-R325 PolarHBondContact OD1-NH1 3.29Å; D260-R325 IonicContact OD1-NH2 2.81Å; D260-R325 IonicContact OD2-CZ 3.06Å; D260-R325 IonicContact OD2-NH1 3.56Å; D260-R325 PolarHBondContact OD2-NH1 2.92Å; D260-R325 IonicContact OD2-NH2 3.24Å; D260-R325 PolarHBondContact OD2-NH2 3.15Å
261	I	98.9	Very high	98.9	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-52.9	-36.6	-179	-178.3	63.3	0	0	0	113.4	Y66 M70 A101 V104 R265 L322	Y66-I261 HydrophobicContact CD2-CG1 4.42Å; Y66-I261 HydrophobicContact CG-CG1 4.43Å; M70-I261 HydrophobicContact CE-CB 4.46Å; M70-I261 HydrophobicContact CE-CG2 4.49Å; M70-I261 HydrophobicContact SD-CB 4.32Å; M70-I261 HydrophobicContact SD-CD1 4.4Å; A101-I261 HydrophobicContact CB-CB 4.28Å; V104-I261 HydrophobicContact CB-CD1 3.77Å; V104-I261 HydrophobicContact CG1-CD1 3.78Å; I261-R265 WeakPolarHBondContact O-CB 3.32Å; I261-R265 PolarHBondContact O-N 3.49Å; I261-L322 HydrophobicContact CG2-CB 4.27Å; I261-L322 HydrophobicContact CG2-CD1 4.02Å; I261-L322 HydrophobicContact CG2-CD2 4.33Å; I261-L322 HydrophobicContact CG2-CG 4.43Å
262	L	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-78	-33.4	-179.6	-58.5	-170.7	0	0	0	111.8	C38 I40 T56 L58 D260 V264 R265 E266 R325	C38-L262 HydrophobicContact CB-CD1 3.67Å; I40-L262 HydrophobicContact CG2-CB 3.65Å; T56-L262 HydrophobicContact CG2-CB 4.17Å; T56-L262 HydrophobicContact CG2-CD1 3.98Å; L58-L262 HydrophobicContact CB-CD1 4.14Å; L58-L262 HydrophobicContact CD1-CD2 4.02Å; L58-L262 HydrophobicContact CD2-CD1 4.15Å; L58-L262 HydrophobicContact CD2-CD2 4.4Å; D260-L262 PolarHBondContact O-N 3.33Å; D260-L262 VanDerWaalsContact O-N 3.16Å; D260-L262 PolarHBondContact OD1-N 3.39Å; L262-V264 VanDerWaalsContact C-N 3.35Å; L262-R265 PolarHBondContact O-N 3.26Å; L262-E266 WeakPolarHBondContact O-CG 3.5Å; L262-E266 PolarHBondContact O-N 3.26Å; L262-R325 VanDerWaalsContact CG-NH1 3.26Å
263	C	98.9	Very high	98.9	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-47.2	171.4	-69.3	0	0	0	0	110.4	K41 V256 N257 D260 A267	K41-C263 PolarHBondContact N-SG 2.93Å; V256-C263 HydrophobicContact CG1-CB 4Å; N257-C263 HydrophobicContact CB-CB 4.21Å; D260-C263 HydrophobicContact CB-CB 3.94Å; D260-C263 WeakPolarHBondContact O-CB 3.39Å; D260-C263 PolarHBondContact O-N 3.43Å; D260-C263 PolarHBondContact OD1-N 2.81Å; D260-C263 PolarHBondContact OD2-SG 2.76Å; C263-A267 WeakPolarHBondContact O-CB 3.39Å; C263-A267 PolarHBondContact O-N 3.22Å
264	V	98.9	Very high	98.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-45.6	178.2	-177.6	0	0	0	0	110.9	L106 V256 D260 L262 A267 T268 L286	L106-V264 HydrophobicContact CD2-CG1 4.19Å; L106-V264 HydrophobicContact CG-CG1 4.12Å; V256-V264 HydrophobicContact CG1-CG2 4.43Å; D260-V264 PolarHBondContact O-N 3.5Å; L262-V264 VanDerWaalsContact C-N 3.35Å; V264-A267 PolarHBondContact O-N 3.3Å; V264-T268 VanDerWaalsContact O-CB 3.31Å; V264-T268 WeakPolarHBondContact O-CB 3.48Å; V264-T268 PolarHBondContact O-N 2.93Å; V264-T268 PolarHBondContact O-OG1 3.32Å; V264-L286 HydrophobicContact CG1-CD1 4.23Å; V264-L286 HydrophobicContact CG1-CD2 4.31Å; V264-L286 HydrophobicContact CG2-CD2 4.32Å
265	R	98.9	Very high	98.9	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-57.1	-52.5	178.6	-175	-173.6	75	178	-5	112	T56 V57 E62 G105 A108 I261 L262 T268 K269	T56-R265 PolarHBondContact OG1-NH2 3.37Å; V57-R265 PolarHBondContact O-NH2 2.85Å; E62-R265 IonicContact OE1-CZ 3.19Å; E62-R265 IonicContact OE1-NH1 3Å; E62-R265 PolarHBondContact OE1-NH1 2.76Å; E62-R265 IonicContact OE2-NH1 2.64Å; E62-R265 PolarHBondContact OE2-NH1 2.99Å; G105-R265 WeakPolarHBondContact O-CA 3.48Å; A108-R265 HydrophobicContact CB-CB 4.31Å; A108-R265 HydrophobicContact CB-CG 3.77Å; I261-R265 WeakPolarHBondContact O-CB 3.32Å; I261-R265 PolarHBondContact O-N 3.49Å; L262-R265 PolarHBondContact O-N 3.26Å; R265-T268 PolarHBondContact O-N 2.84Å; R265-K269 HydrophobicContact CG-CD 4.49Å; R265-K269 WeakPolarHBondContact O-CG 3.41Å; R265-K269 PolarHBondContact O-N 3.15Å
266	E	98.9	Very high	98.9	Very high	18 Å²	18	21.7 Å²	21.7	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-69.9	-37.5	-176.3	-64.6	-48.5	125.8	0	0	112.3	I40 T56 L262 T268 K269 F270	I40-E266 HydrophobicContact CD1-CB 3.7Å; I40-E266 HydrophobicContact CD1-CG 3.6Å; T56-E266 HydrophobicContact CG2-CG 4.01Å; T56-E266 VanDerWaalsContact OG1-CD 3.3Å; T56-E266 PolarHBondContact OG1-OE1 2.94Å; T56-E266 VanDerWaalsContact OG1-OE1 3.13Å; L262-E266 WeakPolarHBondContact O-CG 3.5Å; L262-E266 PolarHBondContact O-N 3.26Å; E266-T268 VanDerWaalsContact C-N 3.29Å; E266-T268 PolarHBondContact O-N 3.37Å; E266-K269 PolarHBondContact O-N 3.46Å; E266-K269 IonicContact OE1-NZ 3.24Å; E266-K269 PolarHBondContact OE1-NZ 3.31Å; E266-K269 IonicContact OE2-NZ 3.75Å; E266-F270 WeakPolarHBondContact O-CB 3.33Å; E266-F270 PolarHBondContact O-N 3.42Å
267	A	98.9	Very high	98.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-38.2	172.3	0	0	0	0	0	112.4	P52 L254 V256 C263 V264 F270 A271 M284	P52-A267 HydrophobicContact CG-CB 4.17Å; L254-A267 HydrophobicContact CD1-CB 3.77Å; V256-A267 HydrophobicContact CB-CB 4.37Å; V256-A267 HydrophobicContact CG1-CB 3.87Å; V256-A267 HydrophobicContact CG2-CB 3.5Å; C263-A267 WeakPolarHBondContact O-CB 3.39Å; C263-A267 PolarHBondContact O-N 3.22Å; V264-A267 PolarHBondContact O-N 3.3Å; A267-F270 PolarHBondContact O-N 2.98Å; A267-A271 WeakPolarHBondContact O-CB 3.39Å; A267-A271 PolarHBondContact O-N 2.9Å; A267-M284 HydrophobicContact CB-SD 3.69Å
268	T	98.9	Very high	98.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-68.8	-45.5	177.3	-55.3	0	0	0	0	111.7	L106 I110 L193 V264 R265 E266 F270 A271 A272	L106-T268 HydrophobicContact CD2-CG2 4.28Å; L106-T268 WeakPolarHBondContact CD2-OG1 3.3Å; I110-T268 HydrophobicContact CG2-CG2 3.6Å; L193-T268 HydrophobicContact CD1-CG2 4.47Å; V264-T268 VanDerWaalsContact O-CB 3.31Å; V264-T268 WeakPolarHBondContact O-CB 3.48Å; V264-T268 PolarHBondContact O-N 2.93Å; V264-T268 PolarHBondContact O-OG1 3.32Å; R265-T268 PolarHBondContact O-N 2.84Å; E266-T268 VanDerWaalsContact C-N 3.29Å; E266-T268 PolarHBondContact O-N 3.37Å; T268-F270 VanDerWaalsContact C-N 3.28Å; T268-F270 PolarHBondContact O-N 3.48Å; T268-A271 PolarHBondContact O-N 3.04Å; T268-A272 WeakPolarHBondContact O-CB 3.34Å; T268-A272 PolarHBondContact O-N 2.92Å
269	K	98.9	Very high	98.8	Very high	79 Å²	79	29.7 Å²	29.7	34%	0.343	15%	0.151	S	C	.	.	H	α-helix	trans	-56.8	-44.6	174.6	-73	175.9	-178.7	167.7	0	111.3	R265 E266 H273	R265-K269 HydrophobicContact CG-CD 4.49Å; R265-K269 WeakPolarHBondContact O-CG 3.41Å; R265-K269 PolarHBondContact O-N 3.15Å; E266-K269 PolarHBondContact O-N 3.46Å; E266-K269 IonicContact OE1-NZ 3.24Å; E266-K269 PolarHBondContact OE1-NZ 3.31Å; E266-K269 IonicContact OE2-NZ 3.75Å; K269-H273 WeakPolarHBondContact O-CB 3.27Å; K269-H273 PolarHBondContact O-N 2.85Å
270	F	98.9	Very high	98.8	Very high	49 Å²	49	29.4 Å²	29.4	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-52.6	176.4	175.5	-89.7	0	0	0	111.9	L48 E50 P52 L254 E266 A267 T268 A272 H273 Y274 I282	L48-F270 HydrophobicContact CD1-CE1 4.12Å; L48-F270 HydrophobicContact CD1-CZ 4.44Å; E50-F270 WeakPolarHBondContact O-CZ 3.47Å; P52-F270 HydrophobicContact CB-CB 4.12Å; P52-F270 HydrophobicContact CB-CG 4.41Å; P52-F270 HydrophobicContact CG-CB 3.81Å; P52-F270 HydrophobicContact CG-CD1 4.08Å; P52-F270 HydrophobicContact CG-CD2 4.4Å; P52-F270 HydrophobicContact CG-CG 3.85Å; L254-F270 HydrophobicContact CD2-CD1 4.26Å; L254-F270 HydrophobicContact CD2-CE1 4.26Å; E266-F270 WeakPolarHBondContact O-CB 3.33Å; E266-F270 PolarHBondContact O-N 3.42Å; A267-F270 PolarHBondContact O-N 2.98Å; T268-F270 VanDerWaalsContact C-N 3.28Å; T268-F270 PolarHBondContact O-N 3.48Å; F270-A272 VanDerWaalsContact C-N 3.32Å; F270-A272 PolarHBondContact O-N 3.32Å; F270-H273 PolarHBondContact O-N 2.9Å; F270-Y274 WeakPolarHBondContact O-CB 3.5Å; F270-Y274 PolarHBondContact O-N 2.64Å; F270-I282 HydrophobicContact CD1-CD1 4.42Å; F270-I282 HydrophobicContact CE1-CD1 3.97Å
271	A	98.9	Very high	98.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-39.1	-179.9	0	0	0	0	0	112.1	V221 A267 T268 Y274 C275 I282	V221-A271 HydrophobicContact CG1-CB 3.89Å; V221-A271 HydrophobicContact CG2-CB 4.11Å; A267-A271 WeakPolarHBondContact O-CB 3.39Å; A267-A271 PolarHBondContact O-N 2.9Å; T268-A271 PolarHBondContact O-N 3.04Å; A271-Y274 WeakPolarHBondContact O-CB 3.33Å; A271-Y274 PolarHBondContact O-N 3.12Å; A271-C275 PolarHBondContact O-N 2.82Å; A271-I282 HydrophobicContact CB-CG2 3.78Å
272	A	98.9	Very high	98.8	Very high	5 Å²	5	29 Å²	29	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-47.3	175.8	0	0	0	0	0	111.6	I191 T268 F270 Y274 C275 R276	I191-A272 HydrophobicContact CD1-CB 3.5Å; I191-A272 VanDerWaalsContact CD1-CB 3.5Å; T268-A272 WeakPolarHBondContact O-CB 3.34Å; T268-A272 PolarHBondContact O-N 2.92Å; F270-A272 VanDerWaalsContact C-N 3.32Å; F270-A272 PolarHBondContact O-N 3.32Å; A272-Y274 VanDerWaalsContact C-N 3.33Å; A272-Y274 PolarHBondContact O-N 2.81Å; A272-C275 PolarHBondContact O-N 3.23Å; A272-R276 WeakPolarHBondContact O-CB 3.43Å; A272-R276 WeakPolarHBondContact O-CG 3.23Å; A272-R276 PolarHBondContact O-N 3.3Å
273	H	98.8	Very high	98.8	Very high	129 Å²	129	29 Å²	29	60%	0.597	15%	0.149	S	C	*	.	H	α-helix	trans	-60.8	-42.7	175.2	180	77.2	0	0	0	111.8	K269 F270 C275 R276 S277	K269-H273 WeakPolarHBondContact O-CB 3.27Å; K269-H273 PolarHBondContact O-N 2.85Å; F270-H273 PolarHBondContact O-N 2.9Å; H273-C275 PolarHBondContact O-N 3Å; H273-R276 PolarHBondContact O-N 2.77Å; H273-S277 WeakPolarHBondContact O-CB 3.4Å; H273-S277 PolarHBondContact O-N 3.27Å; H273-S277 PolarHBondContact O-OG 2.81Å
274	Y	98.9	Very high	98.8	Very high	39 Å²	39	28.9 Å²	28.9	15%	0.153	15%	0.148	C	C	.	.	H	α-helix	trans	-54.1	-53	175.1	-178.5	-82.8	0	0	0	111.3	L48 P252 F270 A271 A272 S277 K279 G280 P281 I282	L48-Y274 HydrophobicContact CD2-CE2 4.16Å; P252-Y274 HydrophobicContact CG-CE1 4.29Å; P252-Y274 HydrophobicContact CG-CE2 4.39Å; P252-Y274 WeakPolarHBondContact CG-OH 3.41Å; F270-Y274 WeakPolarHBondContact O-CB 3.5Å; F270-Y274 PolarHBondContact O-N 2.64Å; A271-Y274 WeakPolarHBondContact O-CB 3.33Å; A271-Y274 PolarHBondContact O-N 3.12Å; A272-Y274 VanDerWaalsContact C-N 3.33Å; A272-Y274 PolarHBondContact O-N 2.81Å; Y274-S277 PolarHBondContact O-N 2.8Å; Y274-S277 PolarHBondContact O-OG 2.74Å; Y274-K279 HydrophobicContact CD1-CB 4.01Å; Y274-K279 HydrophobicContact CD2-CB 4.2Å; Y274-K279 HydrophobicContact CD2-CD 3.75Å; Y274-K279 HydrophobicContact CE1-CB 3.52Å; Y274-K279 HydrophobicContact CE2-CB 3.75Å; Y274-K279 HydrophobicContact CE2-CD 3.54Å; Y274-K279 HydrophobicContact CE2-CG 4.3Å; Y274-K279 HydrophobicContact CG-CB 4.3Å; Y274-K279 HydrophobicContact CG-CD 4.44Å; Y274-K279 PolarHBondContact OH-O 3.08Å; Y274-G280 WeakPolarHBondContact CE1-O 3.37Å; Y274-P281 WeakPolarHBondContact CE1-O 3.38Å; Y274-I282 HydrophobicContact CD1-CB 3.91Å; Y274-I282 HydrophobicContact CD1-CD1 4.23Å; Y274-I282 HydrophobicContact CD1-CG2 4.22Å; Y274-I282 HydrophobicContact CD2-CD1 4.32Å; Y274-I282 HydrophobicContact CE1-CB 4.14Å; Y274-I282 HydrophobicContact CG-CD1 4.05Å
275	C	98.8	Very high	98.8	Very high	4 Å²	4	29 Å²	29	3%	0.027	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-43.6	179.2	-73.7	0	0	0	0	112.8	I191 P219 A271 A272 H273 S277 G278 G280	I191-C275 HydrophobicContact CG2-CB 3.6Å; P219-C275 HydrophobicContact CB-CB 4.16Å; A271-C275 PolarHBondContact O-N 2.82Å; A272-C275 PolarHBondContact O-N 3.23Å; H273-C275 PolarHBondContact O-N 3Å; C275-S277 VanDerWaalsContact C-N 3.25Å; C275-S277 PolarHBondContact O-N 3.28Å; C275-G278 PolarHBondContact O-N 2.97Å; C275-G280 PolarHBondContact SG-O 3.13Å
276	R	98.6	Very high	98.8	Very high	56 Å²	56	28.9 Å²	28.9	21%	0.211	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-31.4	177.1	-73.1	-170.6	-143.6	-57.6	-6.6	113.5	D114 N189 I191 A272 H273 G278	D114-R276 IonicContact OD1-CZ 3.32Å; D114-R276 VanDerWaalsContact OD1-CZ 3.32Å; D114-R276 IonicContact OD1-NH1 2.76Å; D114-R276 PolarHBondContact OD1-NH1 2.65Å; D114-R276 IonicContact OD1-NH2 3.8Å; D114-R276 PolarHBondContact OD1-NH2 2.76Å; D114-R276 IonicContact OD2-CZ 3.63Å; D114-R276 IonicContact OD2-NH1 3.84Å; D114-R276 IonicContact OD2-NH2 2.8Å; D114-R276 PolarHBondContact OD2-NH2 2.94Å; N189-R276 PolarHBondContact O-NH1 3.33Å; N189-R276 WeakPolarHBondContact OD1-CB 3.5Å; N189-R276 WeakPolarHBondContact OD1-CG 3.39Å; I191-R276 HydrophobicContact CG2-CG 3.85Å; A272-R276 WeakPolarHBondContact O-CB 3.43Å; A272-R276 WeakPolarHBondContact O-CG 3.23Å; A272-R276 PolarHBondContact O-N 3.3Å; H273-R276 PolarHBondContact O-N 2.77Å; R276-G278 PolarHBondContact O-N 3.46Å; R276-G278 VanDerWaalsContact O-N 3.13Å
277	S	98.4	Very high	98.8	Very high	54 Å²	54	31.1 Å²	31.1	38%	0.378	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	3.6	175.4	73.7	0	0	0	0	114.1	H273 Y274 C275 K279	H273-S277 WeakPolarHBondContact O-CB 3.4Å; H273-S277 PolarHBondContact O-N 3.27Å; H273-S277 PolarHBondContact O-OG 2.81Å; Y274-S277 PolarHBondContact O-N 2.8Å; Y274-S277 PolarHBondContact O-OG 2.74Å; C275-S277 VanDerWaalsContact C-N 3.25Å; C275-S277 PolarHBondContact O-N 3.28Å; S277-K279 VanDerWaalsContact C-N 3.29Å; S277-K279 PolarHBondContact O-N 2.94Å; S277-K279 WeakPolarHBondContact OG-CG 3.23Å; S277-K279 PolarHBondContact OG-NZ 3.31Å
278	G	98.4	Very high	98.8	Very high	44 Å²	44	31.3 Å²	31.3	45%	0.454	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	9.9	175.7	0	0	0	0	0	114.5	C275 R276 G280	C275-G278 PolarHBondContact O-N 2.97Å; R276-G278 PolarHBondContact O-N 3.46Å; R276-G278 VanDerWaalsContact O-N 3.13Å; G278-G280 PolarHBondContact O-N 2.8Å
279	K	98.7	Very high	98.8	Very high	116 Å²	116	31.3 Å²	31.3	50%	0.504	16%	0.159	S	C	.	.			trans	-73.2	-2.8	178.9	-64.6	-176.7	-175.7	89.5	0	113.7	Y274 S277	Y274-K279 HydrophobicContact CD1-CB 4.01Å; Y274-K279 HydrophobicContact CD2-CB 4.2Å; Y274-K279 HydrophobicContact CD2-CD 3.75Å; Y274-K279 HydrophobicContact CE1-CB 3.52Å; Y274-K279 HydrophobicContact CE2-CB 3.75Å; Y274-K279 HydrophobicContact CE2-CD 3.54Å; Y274-K279 HydrophobicContact CE2-CG 4.3Å; Y274-K279 HydrophobicContact CG-CB 4.3Å; Y274-K279 HydrophobicContact CG-CD 4.44Å; Y274-K279 PolarHBondContact OH-O 3.08Å; S277-K279 VanDerWaalsContact C-N 3.29Å; S277-K279 PolarHBondContact O-N 2.94Å; S277-K279 WeakPolarHBondContact OG-CG 3.23Å; S277-K279 PolarHBondContact OG-NZ 3.31Å
280	G	98.8	Very high	98.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	14%	0.143	C	C	.	.			trans	89.8	-155.9	178.2	0	0	0	0	0	113.1	L218 Y274 C275 G278	L218-G280 CarbonylContact O-C 3.09Å; Y274-G280 WeakPolarHBondContact CE1-O 3.37Å; C275-G280 PolarHBondContact SG-O 3.13Å; G278-G280 PolarHBondContact O-N 2.8Å
281	P	98.9	Very high	98.8	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.045	14%	0.135	C	C	.	.			trans	-77.3	163	-174.4	33.2	-37.4	0	0	0	112.2	S213 A214 L218 C220 F222 I251 Y274	S213-P281 WeakPolarHBondContact O-CD 3.36Å; A214-P281 HydrophobicContact CB-CG 4.3Å; L218-P281 VanDerWaalsContact O-N 3.11Å; C220-P281 HydrophobicContact CB-CB 4.49Å; C220-P281 WeakPolarHBondContact O-CA 3.47Å; C220-P281 VanDerWaalsContact O-CB 3.3Å; C220-P281 WeakPolarHBondContact O-CB 3.47Å; F222-P281 HydrophobicContact CD2-CB 4.09Å; F222-P281 HydrophobicContact CE2-CB 3.77Å; I251-P281 HydrophobicContact CD1-CB 4.3Å; I251-P281 HydrophobicContact CD1-CG 3.83Å; I251-P281 HydrophobicContact CG1-CG 4.17Å; I251-P281 HydrophobicContact CG2-CB 4.26Å; I251-P281 HydrophobicContact CG2-CG 4.1Å; I251-P281 WeakPolarHBondContact CG2-O 3.17Å; Y274-P281 WeakPolarHBondContact CE1-O 3.38Å
282	I	98.9	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.7	174.9	-170.1	171.3	0	0	0	109.8	L48 C220 V221 F222 P252 L254 F270 A271 Y274	L48-I282 HydrophobicContact CD1-CD1 4.19Å; C220-I282 PolarHBondContact O-N 3.38Å; V221-I282 WeakPolarHBondContact CA-O 3.44Å; V221-I282 HydrophobicContact CB-CG2 4.38Å; V221-I282 HydrophobicContact CG1-CG2 4.07Å; V221-I282 HydrophobicContact CG2-CG2 4.04Å; F222-I282 PolarHBondContact N-O 2.89Å; P252-I282 HydrophobicContact CG-CG1 4.38Å; P252-I282 WeakPolarHBondContact O-CG1 3.27Å; L254-I282 HydrophobicContact CD2-CD1 3.54Å; L254-I282 HydrophobicContact CD2-CG1 4.01Å; F270-I282 HydrophobicContact CD1-CD1 4.42Å; F270-I282 HydrophobicContact CE1-CD1 3.97Å; A271-I282 HydrophobicContact CB-CG2 3.78Å; Y274-I282 HydrophobicContact CD1-CB 3.91Å; Y274-I282 HydrophobicContact CD1-CD1 4.23Å; Y274-I282 HydrophobicContact CD1-CG2 4.22Å; Y274-I282 HydrophobicContact CD2-CD1 4.32Å; Y274-I282 HydrophobicContact CE1-CB 4.14Å; Y274-I282 HydrophobicContact CG-CD1 4.05Å
283	L	98.9	Very high	98.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.7	173.8	-92.3	70	0	0	0	111.4	Y210 F222 G248 I251 P252 G253 L254	Y210-L283 HydrophobicContact CD1-CD1 4.26Å; Y210-L283 HydrophobicContact CE1-CD1 3.98Å; Y210-L283 HydrophobicContact CE1-CG 4.42Å; Y210-L283 HydrophobicContact CE2-CD2 4.37Å; F222-L283 HydrophobicContact CB-CD1 3.9Å; F222-L283 HydrophobicContact CB-CG 3.96Å; F222-L283 HydrophobicContact CD2-CD1 3.98Å; F222-L283 HydrophobicContact CG-CD1 4.32Å; F222-L283 CarbonylContact O-C 3.58Å; F222-L283 WeakPolarHBondContact O-CA 3.47Å; G248-L283 VanDerWaalsContact N-CD2 3.32Å; I251-L283 HydrophobicContact CB-CD1 3.83Å; I251-L283 HydrophobicContact CD1-CD1 4.07Å; I251-L283 HydrophobicContact CG2-CD1 3.49Å; I251-L283 VanDerWaalsContact CG2-CD1 3.49Å; P252-L283 PolarHBondContact O-N 3.22Å; G253-L283 CarbonylContact C-O 3.54Å; G253-L283 WeakPolarHBondContact CA-O 3.47Å; L254-L283 PolarHBondContact N-O 2.82Å
284	M	98.9	Very high	98.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	115.7	173.3	-174.9	165.9	63.5	0	0	109.9	L106 V221 F222 I223 C224 L254 V256 A267 L286	L106-M284 HydrophobicContact CD2-CE 3.53Å; V221-M284 HydrophobicContact CG1-CB 4.44Å; V221-M284 HydrophobicContact CG1-CE 4.44Å; F222-M284 PolarHBondContact O-N 3.3Å; I223-M284 CarbonylContact C-O 3.49Å; I223-M284 VanDerWaalsContact CA-O 3.25Å; I223-M284 WeakPolarHBondContact CA-O 3.46Å; I223-M284 HydrophobicContact CD1-CE 3.78Å; I223-M284 HydrophobicContact CG1-CB 4.29Å; I223-M284 HydrophobicContact CG1-CE 3.82Å; C224-M284 PolarHBondContact N-O 2.97Å; L254-M284 HydrophobicContact CD1-CG 4.43Å; L254-M284 HydrophobicContact CD1-SD 4.45Å; L254-M284 HydrophobicContact CG-CG 4.36Å; L254-M284 WeakPolarHBondContact O-CA 3.44Å; V256-M284 HydrophobicContact CG2-CG 3.7Å; V256-M284 HydrophobicContact CG2-SD 4.02Å; A267-M284 HydrophobicContact CB-SD 3.69Å; M284-L286 HydrophobicContact CE-CD2 4.18Å; M284-L286 HydrophobicContact CG-CD2 3.87Å; M284-L286 HydrophobicContact SD-CD2 4.09Å
285	E	98.9	Very high	98.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.1	173	179.6	-173.1	167.2	0	0	109.3	N226 Y244 H245 L254 R255 V256 Q287	N226-E285 HydrophobicContact CB-CG 4.12Å; N226-E285 PolarHBondContact ND2-OE1 3.09Å; Y244-E285 PolarHBondContact N-OE2 3.39Å; H245-E285 HydrophobicContact CB-CB 3.8Å; H245-E285 IonicContact CG-OE2 3.97Å; H245-E285 PolarHBondContact N-OE2 3.17Å; H245-E285 VanDerWaalsContact N-OE2 3.12Å; H245-E285 IonicContact ND1-OE2 2.85Å; H245-E285 PolarHBondContact ND1-OE2 2.86Å; L254-E285 PolarHBondContact O-N 3.17Å; R255-E285 HydrophobicContact CB-CB 4.45Å; R255-E285 VanDerWaalsContact CD-OE2 3.3Å; R255-E285 WeakPolarHBondContact CD-OE2 3.39Å; R255-E285 HydrophobicContact CG-CB 4.22Å; R255-E285 HydrophobicContact CG-CG 4.21Å; V256-E285 PolarHBondContact N-O 3.04Å; E285-Q287 HydrophobicContact CG-CG 4.41Å
286	L	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	108.9	171.4	-56.7	-173.5	0	0	0	108.8	C102 L106 I223 C224 N226 V256 V264 M284 T288	C102-L286 HydrophobicContact CB-CD1 3.88Å; L106-L286 HydrophobicContact CD1-CD1 4.24Å; L106-L286 HydrophobicContact CD2-CD1 4.21Å; L106-L286 HydrophobicContact CG-CD1 4.31Å; I223-L286 HydrophobicContact CG2-CD1 3.87Å; I223-L286 HydrophobicContact CG2-CG 3.88Å; C224-L286 PolarHBondContact O-N 3.24Å; N226-L286 PolarHBondContact N-O 3.24Å; V256-L286 HydrophobicContact CB-CD2 3.77Å; V256-L286 HydrophobicContact CG1-CD2 4.09Å; V256-L286 HydrophobicContact CG2-CD2 4.15Å; V264-L286 HydrophobicContact CG1-CD1 4.23Å; V264-L286 HydrophobicContact CG1-CD2 4.31Å; V264-L286 HydrophobicContact CG2-CD2 4.32Å; M284-L286 HydrophobicContact CE-CD2 4.18Å; M284-L286 HydrophobicContact CG-CD2 3.87Å; M284-L286 HydrophobicContact SD-CD2 4.09Å; L286-T288 PolarHBondContact O-N 3.33Å
287	Q	98.9	Very high	98.5	Very high	65 Å²	65	24.8 Å²	24.8	30%	0.304	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	99.3	174.4	-60.2	-172.5	-65.8	0	0	109.2	R255 V256 G258 E285	R255-Q287 HydrophobicContact CG-CG 3.77Å; V256-Q287 PolarHBondContact O-N 3.21Å; G258-Q287 WeakPolarHBondContact CA-O 3.44Å; G258-Q287 PolarHBondContact N-O 2.7Å; E285-Q287 HydrophobicContact CG-CG 4.41Å
288	T	98.9	Very high	98.5	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.031	14%	0.135	C	C	.	.			trans	-128.1	-170.6	-174	-166.5	0	0	0	0	111.3	Q99 C102 N226 N227 G258 L286	Q99-T288 HydrophobicContact CB-CG2 4.39Å; Q99-T288 HydrophobicContact CG-CG2 3.85Å; C102-T288 VanDerWaalsContact SG-CB 3.6Å; N226-T288 PolarHBondContact O-N 3.2Å; N227-T288 WeakPolarHBondContact CA-O 3.1Å; N227-T288 HydrophobicContact CB-CG2 4.25Å; G258-T288 PolarHBondContact O-OG1 3.1Å; L286-T288 PolarHBondContact O-N 3.33Å
289	Y	98.9	Very high	98.3	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.145	C	C	.	.			trans	-153.2	135.4	-180	-155.5	-91.1	0	0	0	112.5	G98 Q99 R228 Y229 Y291 R304 E308 V309 M312	G98-Y289 CarbonylContact C-O 3.55Å; G98-Y289 WeakPolarHBondContact CA-O 3.48Å; Q99-Y289 VanDerWaalsContact CG-O 3.31Å; Q99-Y289 WeakPolarHBondContact CG-O 3.21Å; R228-Y289 HydrophobicContact CG-CD2 4.49Å; Y229-Y289 HydrophobicContact CE2-CE2 4.3Å; Y289-Y291 HydrophobicContact CD1-CD1 4.11Å; Y289-Y291 HydrophobicContact CD1-CE1 4.4Å; Y289-R304 VanDerWaalsContact CE1-NH1 3.28Å; Y289-R304 WeakPolarHBondContact OH-CD 3.48Å; Y289-R304 PolarHBondContact OH-NH1 3.39Å; Y289-E308 VanDerWaalsContact CE2-OE1 3.25Å; Y289-E308 WeakPolarHBondContact CE2-OE1 3.49Å; Y289-E308 VanDerWaalsContact OH-CD 3.32Å; Y289-E308 PolarHBondContact OH-OE1 3.24Å; Y289-V309 HydrophobicContact CE1-CB 4.43Å; Y289-V309 HydrophobicContact CE1-CG1 4.38Å; Y289-V309 HydrophobicContact CE1-CG2 4.09Å; Y289-M312 HydrophobicContact CD1-CB 4.11Å; Y289-M312 HydrophobicContact CD1-CG 4.15Å; Y289-M312 HydrophobicContact CD2-CG 3.85Å; Y289-M312 HydrophobicContact CE1-CB 4.39Å; Y289-M312 HydrophobicContact CE1-CG 4.37Å; Y289-M312 HydrophobicContact CE2-CG 4.06Å; Y289-M312 HydrophobicContact CG-CB 4.25Å; Y289-M312 HydrophobicContact CG-CG 3.88Å
290	R	98.8	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.			trans	-93.2	129.8	169.1	49.8	179.3	-177.8	86.2	-5.8	111	N227 Y229 M231 H292 G293 Y303 R304	N227-R290 HydrophobicContact CB-CG 4.29Å; N227-R290 PolarHBondContact OD1-NE 3.24Å; Y229-R290 VanDerWaalsContact CB-NH2 3.34Å; M231-R290 PolarHBondContact O-NH2 3.45Å; R290-H292 PolarHBondContact NH1-O 3.37Å; R290-G293 PolarHBondContact NH1-O 3.35Å; R290-Y303 PolarHBondContact NH1-OH 2.93Å; R290-Y303 VanDerWaalsContact NH1-OH 3.08Å; R290-Y303 PolarHBondContact NH2-OH 3.32Å; R290-R304 PolarHBondContact O-NH1 3.27Å; R290-R304 PolarHBondContact O-NH2 2.95Å
291	Y	98.7	Very high	98	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.047	14%	0.144	C	C	.	.	S	Bend	trans	-77.4	-43	176.5	-61	-34.6	0	0	0	112.8	D97 Y289 R304 V309 R313 D317	D97-Y291 PolarHBondContact O-N 2.95Å; D97-Y291 WeakPolarHBondContact OD2-CB 3.28Å; Y289-Y291 HydrophobicContact CD1-CD1 4.11Å; Y289-Y291 HydrophobicContact CD1-CE1 4.4Å; Y291-R304 PolarHBondContact O-NH2 3.19Å; Y291-R304 VanDerWaalsContact O-NH2 3.13Å; Y291-V309 HydrophobicContact CD1-CG1 4.17Å; Y291-R313 VanDerWaalsContact CB-NH2 3.33Å; Y291-R313 HydrophobicContact CD1-CB 4.44Å; Y291-R313 HydrophobicContact CE1-CB 3.9Å; Y291-R313 HydrophobicContact CE1-CG 4.41Å; Y291-R313 HydrophobicContact CE2-CG 4.2Å; Y291-D317 VanDerWaalsContact OH-CA 3.32Å; Y291-D317 WeakPolarHBondContact OH-CA 3.38Å; Y291-D317 WeakPolarHBondContact OH-CB 3.25Å; Y291-D317 PolarHBondContact OH-OD2 3.45Å
292	H	98.6	Very high	98	Very high	44 Å²	44	30 Å²	30	20%	0.204	18%	0.177	C	C	.	.	S	Bend	trans	-72	164.7	171.9	-73.4	81.1	0	0	0	112	D81 L95 D97 R290 R304	D81-H292 IonicContact OD1-NE2 2.89Å; L95-H292 HydrophobicContact CB-CB 4.41Å; L95-H292 HydrophobicContact CD1-CB 4.37Å; D97-H292 IonicContact OD1-CE1 3.88Å; D97-H292 IonicContact OD1-CG 2.7Å; D97-H292 IonicContact OD1-ND1 3.24Å; D97-H292 PolarHBondContact OD1-ND1 3.42Å; D97-H292 IonicContact OD2-CE1 2.72Å; D97-H292 PolarHBondContact OD2-CE1 2.79Å; D97-H292 VanDerWaalsContact OD2-CE1 3.26Å; D97-H292 IonicContact OD2-ND1 2.81Å; D97-H292 PolarHBondContact OD2-ND1 3.32Å; R290-H292 PolarHBondContact NH1-O 3.37Å; H292-R304 PolarHBondContact O-NH2 3.49Å
293	G	98.4	Very high	97.9	Very high	6 Å²	6	31.9 Å²	31.9	6%	0.062	19%	0.185	C	C	.	.			trans	-59.1	-171.9	169.5	0	0	0	0	0	112.7	R290 S295 D298	R290-G293 PolarHBondContact NH1-O 3.35Å; G293-S295 VanDerWaalsContact C-N 3.35Å; G293-S295 PolarHBondContact O-N 2.73Å; G293-D298 WeakPolarHBondContact CA-O 3.04Å
294	H	98.6	Very high	97.8	Very high	24 Å²	24	32.7 Å²	32.7	11%	0.111	19%	0.188	C	C	.	.	S	Bend	trans	-58	-51.9	-177.6	-179.4	61.7	0	0	0	111.1	H94 Y120 R121 M231 D298	H94-H294 PolarHBondContact CD2-O 3.01Å; H94-H294 VanDerWaalsContact CD2-O 3.3Å; Y120-H294 AromaticContact CE2-CE1 3.94Å; Y120-H294 AromaticContact CZ-CE1 3.85Å; Y120-H294 PolarHBondContact OH-CE1 2.92Å; R121-H294 PolarHBondContact NH1-O 2.79Å; R121-H294 PolarHBondContact NH2-O 3.44Å; M231-H294 WeakPolarHBondContact CA-ND1 3.47Å; M231-H294 HydrophobicContact CB-CB 4.47Å; M231-H294 HydrophobicContact CG-CB 4.07Å; H294-D298 HydrophobicContact CB-CB 4.09Å; H294-D298 VanDerWaalsContact CB-OD2 3.27Å; H294-D298 WeakPolarHBondContact CB-OD2 3.2Å; H294-D298 PolarHBondContact N-OD2 3.11Å
295	S	97.9	Very high	97.8	Very high	10 Å²	10	35.5 Å²	35.5	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-139.6	178.7	174.7	71.6	0	0	0	0	108.8	C93 G293 S297 D298	C93-S295 WeakPolarHBondContact O-CA 3.48Å; G293-S295 VanDerWaalsContact C-N 3.35Å; G293-S295 PolarHBondContact O-N 2.73Å; S295-S297 PolarHBondContact O-N 3.2Å; S295-S297 VanDerWaalsContact O-N 3.11Å; S295-S297 PolarHBondContact OG-N 3.44Å; S295-S297 PolarHBondContact OG-OG 3.1Å; S295-D298 PolarHBondContact O-N 2.84Å
296	M	98	Very high	97.7	Very high	35 Å²	35	44.3 Å²	44.3	17%	0.172	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.1	175.9	-72.2	-52.9	-61.4	0	0	115.5	D81 Y84 K85 C93 L95	D81-M296 HydrophobicContact CB-CE 4.25Å; D81-M296 HydrophobicContact CB-SD 4.36Å; D81-M296 WeakPolarHBondContact OD1-CE 3.34Å; Y84-M296 HydrophobicContact CD1-CB 3.56Å; Y84-M296 HydrophobicContact CD1-CE 3.97Å; Y84-M296 HydrophobicContact CD1-CG 3.91Å; Y84-M296 HydrophobicContact CD2-CB 3.86Å; Y84-M296 HydrophobicContact CD2-CG 3.76Å; Y84-M296 HydrophobicContact CE1-CB 3.47Å; Y84-M296 VanDerWaalsContact CE1-CB 3.47Å; Y84-M296 HydrophobicContact CE1-CG 4.29Å; Y84-M296 HydrophobicContact CE2-CB 3.79Å; Y84-M296 HydrophobicContact CE2-CG 4.16Å; Y84-M296 HydrophobicContact CG-CB 3.77Å; Y84-M296 HydrophobicContact CG-CE 4.17Å; Y84-M296 HydrophobicContact CG-CG 3.63Å; K85-M296 HydrophobicContact CG-CE 4.41Å; C93-M296 HydrophobicContact CB-CB 4.35Å; C93-M296 HydrophobicContact CB-CG 3.66Å; C93-M296 PolarHBondContact O-N 3.18Å; L95-M296 HydrophobicContact CD1-SD 3.72Å; L95-M296 HydrophobicContact CG-SD 4.22Å
297	S	95.4	Very high	97.6	Very high	93 Å²	93	50.4 Å²	50.4	65%	0.65	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.2	174.5	64.7	0	0	0	0	113.6	S295	S295-S297 PolarHBondContact O-N 3.2Å; S295-S297 VanDerWaalsContact O-N 3.11Å; S295-S297 PolarHBondContact OG-N 3.44Å; S295-S297 PolarHBondContact OG-OG 3.1Å
298	D	96.9	Very high	97.6	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.144	26%	0.264	C	S	.	.			trans	-110.9	112	-179.2	172.2	25.4	0	0	0	110.3	G293 H294 S295 G300 Y303	G293-D298 WeakPolarHBondContact CA-O 3.04Å; H294-D298 HydrophobicContact CB-CB 4.09Å; H294-D298 VanDerWaalsContact CB-OD2 3.27Å; H294-D298 WeakPolarHBondContact CB-OD2 3.2Å; H294-D298 PolarHBondContact N-OD2 3.11Å; S295-D298 PolarHBondContact O-N 2.84Å; D298-G300 PolarHBondContact O-N 2.88Å; D298-G300 WeakPolarHBondContact OD1-CA 3.34Å; D298-G300 PolarHBondContact OD1-N 2.76Å; D298-Y303 WeakPolarHBondContact OD2-CE1 3.47Å; D298-Y303 PolarHBondContact OD2-OH 3.24Å
299	P	95.1	Very high	97.6	Very high	102 Å²	102	50.2 Å²	50.2	66%	0.662	27%	0.27	S	S	*	.			trans	-64	-20.9	175.2	-23.3	34.8	0	0	0	114.2	I301	P299-I301 HydrophobicContact CB-CG1 4.23Å; P299-I301 PolarHBondContact O-N 3.26Å
300	G	96.4	Very high	97.5	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	71.8	22.9	176.4	0	0	0	0	0	115.7	D298 Y303 R304	D298-G300 PolarHBondContact O-N 2.88Å; D298-G300 WeakPolarHBondContact OD1-CA 3.34Å; D298-G300 PolarHBondContact OD1-N 2.76Å; G300-Y303 WeakPolarHBondContact CA-OH 3.35Å; G300-R304 WeakPolarHBondContact O-CG 3.3Å; G300-R304 PolarHBondContact O-NE 2.89Å
301	I	95.8	Very high	97.5	Very high	92 Å²	92	59.5 Å²	59.5	47%	0.472	32%	0.315	S	S	.	.			trans	-111.5	-8.1	-177.9	65.1	173.9	0	0	0	114.2	P299 R304 R306	P299-I301 HydrophobicContact CB-CG1 4.23Å; P299-I301 PolarHBondContact O-N 3.26Å; I301-R304 CarbonylContact C-O 3.56Å; I301-R306 HydrophobicContact CG2-CG 4.09Å
302	S	97	Very high	97.4	Very high	107 Å²	107	60.1 Å²	60.1	75%	0.748	32%	0.319	S	S	*	.	S	Bend	trans	-82.9	-17	-178.9	53.5	0	0	0	0	113.6
303	Y	97.5	Very high	97.4	Very high	41 Å²	41	63.3 Å²	63.3	16%	0.161	33%	0.329	C	S	.	.	S	Bend	trans	-128.4	1.8	-174	54.9	-100.1	0	0	0	114	Y229 M231 G232 R290 D298 G300	Y229-Y303 AromaticContact CD1-CD2 3.61Å; Y229-Y303 HydrophobicContact CD1-CD2 3.61Å; Y229-Y303 HydrophobicContact CD1-CE2 4.01Å; Y229-Y303 AromaticContact CE1-CD2 3.89Å; Y229-Y303 HydrophobicContact CE1-CD2 3.89Å; Y229-Y303 HydrophobicContact CG-CD2 4.16Å; Y229-Y303 HydrophobicContact CG-CE2 4.08Å; M231-Y303 PolarHBondContact O-OH 2.86Å; G232-Y303 VanDerWaalsContact CA-CD1 3.5Å; G232-Y303 VanDerWaalsContact O-CB 3.28Å; G232-Y303 WeakPolarHBondContact O-CB 3.28Å; R290-Y303 PolarHBondContact NH1-OH 2.93Å; R290-Y303 VanDerWaalsContact NH1-OH 3.08Å; R290-Y303 PolarHBondContact NH2-OH 3.32Å; D298-Y303 WeakPolarHBondContact OD2-CE1 3.47Å; D298-Y303 PolarHBondContact OD2-OH 3.24Å; G300-Y303 WeakPolarHBondContact CA-OH 3.35Å
304	R	97.7	Very high	97.3	Very high	17 Å²	17	66.2 Å²	66.2	6%	0.064	35%	0.348	C	S	.	.	S	Bend	trans	-157.9	154.2	175	62.1	-178.6	-176.3	173.1	4.3	110	Y229 Y289 R290 Y291 H292 G300 I301	Y229-R304 HydrophobicContact CE1-CB 4.19Å; Y229-R304 HydrophobicContact CE2-CB 4.25Å; Y229-R304 WeakPolarHBondContact OH-CB 3.43Å; Y289-R304 VanDerWaalsContact CE1-NH1 3.28Å; Y289-R304 WeakPolarHBondContact OH-CD 3.48Å; Y289-R304 PolarHBondContact OH-NH1 3.39Å; R290-R304 PolarHBondContact O-NH1 3.27Å; R290-R304 PolarHBondContact O-NH2 2.95Å; Y291-R304 PolarHBondContact O-NH2 3.19Å; Y291-R304 VanDerWaalsContact O-NH2 3.13Å; H292-R304 PolarHBondContact O-NH2 3.49Å; G300-R304 WeakPolarHBondContact O-CG 3.3Å; G300-R304 PolarHBondContact O-NE 2.89Å; I301-R304 CarbonylContact C-O 3.56Å
305	S	97.9	Very high	97.3	Very high	60 Å²	60	71.9 Å²	71.9	42%	0.42	37%	0.373	S	S	.	.			trans	-83	154.4	-178.4	74.2	0	0	0	0	111.6	E307 E308 V309	S305-E307 PolarHBondContact O-N 3.06Å; S305-E308 PolarHBondContact O-N 3.26Å; S305-E308 WeakPolarHBondContact OG-CB 3.32Å; S305-E308 PolarHBondContact OG-N 3.14Å; S305-V309 PolarHBondContact O-N 3.49Å
306	R	97	Very high	97.3	Very high	186 Å²	186	73 Å²	73	70%	0.702	38%	0.381	S	S	*	.	H	α-helix	trans	-62.5	-33.1	170.3	-67.5	-177.8	179.6	-177.9	0.5	111.7	I301 V309 Q310	I301-R306 HydrophobicContact CG2-CG 4.09Å; R306-V309 PolarHBondContact O-N 2.91Å; R306-Q310 WeakPolarHBondContact O-CB 3.23Å; R306-Q310 PolarHBondContact O-N 3.07Å
307	E	98.1	Very high	97.3	Very high	128 Å²	128	72 Å²	72	60%	0.598	38%	0.376	S	S	*	.	H	α-helix	trans	-63.8	-40.6	177.6	-167.8	-170.8	163.1	0	0	111.6	S305 V309 Q310 N311	S305-E307 PolarHBondContact O-N 3.06Å; E307-V309 PolarHBondContact O-N 2.86Å; E307-Q310 PolarHBondContact O-N 3.38Å; E307-N311 WeakPolarHBondContact O-CB 3.49Å; E307-N311 VanDerWaalsContact O-CG 3.24Å; E307-N311 PolarHBondContact O-N 3.38Å; E307-N311 PolarHBondContact O-ND2 3Å
308	E	98	Very high	97.5	Very high	43 Å²	43	67.6 Å²	67.6	20%	0.201	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-47.8	175.4	-173	-166.5	136.1	0	0	111.4	R228 Y229 Y289 S305 N311 M312	R228-E308 IonicContact NH1-OE1 2.74Å; Y229-E308 PolarHBondContact OH-OE1 3.03Å; Y229-E308 VanDerWaalsContact OH-OE1 3.11Å; Y229-E308 PolarHBondContact OH-OE2 3.24Å; Y289-E308 VanDerWaalsContact CE2-OE1 3.25Å; Y289-E308 WeakPolarHBondContact CE2-OE1 3.49Å; Y289-E308 VanDerWaalsContact OH-CD 3.32Å; Y289-E308 PolarHBondContact OH-OE1 3.24Å; S305-E308 PolarHBondContact O-N 3.26Å; S305-E308 WeakPolarHBondContact OG-CB 3.32Å; S305-E308 PolarHBondContact OG-N 3.14Å; E308-N311 PolarHBondContact O-N 3.48Å; E308-M312 PolarHBondContact O-N 3.01Å
309	V	98.3	Very high	97.6	Very high	23 Å²	23	66.8 Å²	66.8	14%	0.139	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-44.2	178.6	-176.7	0	0	0	0	110.8	Y289 Y291 S305 R306 E307 M312 R313	Y289-V309 HydrophobicContact CE1-CB 4.43Å; Y289-V309 HydrophobicContact CE1-CG1 4.38Å; Y289-V309 HydrophobicContact CE1-CG2 4.09Å; Y291-V309 HydrophobicContact CD1-CG1 4.17Å; S305-V309 PolarHBondContact O-N 3.49Å; R306-V309 PolarHBondContact O-N 2.91Å; E307-V309 PolarHBondContact O-N 2.86Å; V309-M312 PolarHBondContact O-N 3.37Å; V309-R313 PolarHBondContact O-N 2.84Å
310	Q	97.9	Very high	97.8	Very high	136 Å²	136	64.2 Å²	64.2	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-64.2	-43.9	178.6	-176.1	176.6	2.5	0	0	111.6	R306 E307 M312 R313 S314	R306-Q310 WeakPolarHBondContact O-CB 3.23Å; R306-Q310 PolarHBondContact O-N 3.07Å; E307-Q310 PolarHBondContact O-N 3.38Å; Q310-M312 VanDerWaalsContact C-N 3.29Å; Q310-M312 PolarHBondContact O-N 3.26Å; Q310-R313 PolarHBondContact O-N 3.16Å; Q310-S314 WeakPolarHBondContact O-CB 3.42Å; Q310-S314 PolarHBondContact O-N 3.47Å; Q310-S314 PolarHBondContact O-OG 3.42Å; Q310-S314 VanDerWaalsContact O-OG 3.11Å
311	N	97.9	Very high	97.9	Very high	60 Å²	60	66 Å²	66	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-40.4	175.3	-79.9	-27.5	0	0	0	111.2	E307 E308 S314 K315	E307-N311 WeakPolarHBondContact O-CB 3.49Å; E307-N311 VanDerWaalsContact O-CG 3.24Å; E307-N311 PolarHBondContact O-N 3.38Å; E307-N311 PolarHBondContact O-ND2 3Å; E308-N311 PolarHBondContact O-N 3.48Å; N311-S314 PolarHBondContact O-OG 2.87Å; N311-K315 WeakPolarHBondContact O-CB 3.44Å; N311-K315 WeakPolarHBondContact O-CG 3.48Å; N311-K315 PolarHBondContact O-N 3.27Å; N311-K315 VanDerWaalsContact O-N 3.17Å
312	M	97.8	Very high	98	Very high	26 Å²	26	61.7 Å²	61.7	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-44	175.4	-87.5	-47.8	-27	0	0	112.5	M259 Y289 E308 V309 Q310 S316	M259-M312 HydrophobicContact CE-CE 4.46Å; Y289-M312 HydrophobicContact CD1-CB 4.11Å; Y289-M312 HydrophobicContact CD1-CG 4.15Å; Y289-M312 HydrophobicContact CD2-CG 3.85Å; Y289-M312 HydrophobicContact CE1-CB 4.39Å; Y289-M312 HydrophobicContact CE1-CG 4.37Å; Y289-M312 HydrophobicContact CE2-CG 4.06Å; Y289-M312 HydrophobicContact CG-CB 4.25Å; Y289-M312 HydrophobicContact CG-CG 3.88Å; E308-M312 PolarHBondContact O-N 3.01Å; V309-M312 PolarHBondContact O-N 3.37Å; Q310-M312 VanDerWaalsContact C-N 3.29Å; Q310-M312 PolarHBondContact O-N 3.26Å; M312-S316 CarbonylContact O-C 3.56Å; M312-S316 PolarHBondContact O-N 3.03Å
313	R	97.6	Very high	98.1	Very high	111 Å²	111	60.9 Å²	60.9	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-42.3	179.7	-173.5	179.8	-72.8	-169.1	-5	112.4	D97 Y291 V309 Q310 D317	D97-R313 IonicContact OD2-NH2 2.71Å; Y291-R313 VanDerWaalsContact CB-NH2 3.33Å; Y291-R313 HydrophobicContact CD1-CB 4.44Å; Y291-R313 HydrophobicContact CE1-CB 3.9Å; Y291-R313 HydrophobicContact CE1-CG 4.41Å; Y291-R313 HydrophobicContact CE2-CG 4.2Å; V309-R313 PolarHBondContact O-N 2.84Å; Q310-R313 PolarHBondContact O-N 3.16Å; R313-D317 WeakPolarHBondContact O-CB 3.25Å; R313-D317 PolarHBondContact O-N 3.44Å
314	S	97.4	Very high	98.1	Very high	67 Å²	67	63 Å²	63	47%	0.469	30%	0.299	S	S	.	.	H	α-helix	trans	-74.3	-29	-176.6	62.6	0	0	0	0	113.5	Q310 N311	Q310-S314 WeakPolarHBondContact O-CB 3.42Å; Q310-S314 PolarHBondContact O-N 3.47Å; Q310-S314 PolarHBondContact O-OG 3.42Å; Q310-S314 VanDerWaalsContact O-OG 3.11Å; N311-S314 PolarHBondContact O-OG 2.87Å
315	K	97.4	Very high	98.2	Very high	143 Å²	143	64.1 Å²	64.1	62%	0.622	30%	0.303	S	S	*	.	H	α-helix	trans	-101.1	-22.3	-174.9	-63.5	-179.9	-179.3	177.4	0	114.3	N311	N311-K315 WeakPolarHBondContact O-CB 3.44Å; N311-K315 WeakPolarHBondContact O-CG 3.48Å; N311-K315 PolarHBondContact O-N 3.27Å; N311-K315 VanDerWaalsContact O-N 3.17Å
316	S	98.2	Very high	98.2	Very high	34 Å²	34	61.3 Å²	61.3	24%	0.238	28%	0.283	C	S	.	.	H	α-helix	trans	-149.5	27.6	-171.9	-40.2	0	0	0	0	113.9	M259 M312	M259-S316 WeakPolarHBondContact CE-O 3.17Å; M312-S316 CarbonylContact O-C 3.56Å; M312-S316 PolarHBondContact O-N 3.03Å
317	D	98.8	Very high	98.2	Very high	13 Å²	13	55 Å²	55	7%	0.07	26%	0.263	C	S	.	.			trans	-57.8	127.9	170.3	173.6	-85.1	0	0	0	110.7	R74 Y291 R313 I319 M320 L321	R74-D317 IonicContact CZ-OD2 3.64Å; R74-D317 VanDerWaalsContact CZ-OD2 3.24Å; R74-D317 IonicContact NH1-OD2 2.68Å; R74-D317 PolarHBondContact NH1-OD2 2.81Å; R74-D317 IonicContact NH2-OD2 3.25Å; R74-D317 PolarHBondContact NH2-OD2 3.29Å; Y291-D317 VanDerWaalsContact OH-CA 3.32Å; Y291-D317 WeakPolarHBondContact OH-CA 3.38Å; Y291-D317 WeakPolarHBondContact OH-CB 3.25Å; Y291-D317 PolarHBondContact OH-OD2 3.45Å; R313-D317 WeakPolarHBondContact O-CB 3.25Å; R313-D317 PolarHBondContact O-N 3.44Å; D317-I319 VanDerWaalsContact C-N 3.26Å; D317-I319 PolarHBondContact O-N 2.88Å; D317-I319 WeakPolarHBondContact OD1-CA 3.46Å; D317-I319 WeakPolarHBondContact OD1-CB 3.49Å; D317-I319 PolarHBondContact OD1-N 3.33Å; D317-M320 HydrophobicContact CB-CB 3.93Å; D317-M320 WeakPolarHBondContact O-CB 3.37Å; D317-M320 PolarHBondContact O-N 2.96Å; D317-M320 PolarHBondContact OD1-N 3.4Å; D317-L321 VanDerWaalsContact O-CG 3.31Å; D317-L321 WeakPolarHBondContact O-CG 3.44Å; D317-L321 PolarHBondContact O-N 2.94Å
318	P	98.9	Very high	98.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-29.4	-170.3	25.4	-33.2	0	0	0	112.9	M70 E100 A101 M259 L322	M70-P318 HydrophobicContact SD-CB 4.23Å; E100-P318 HydrophobicContact CB-CG 4.31Å; E100-P318 VanDerWaalsContact OE2-CG 3.28Å; E100-P318 WeakPolarHBondContact OE2-CG 3.5Å; A101-P318 HydrophobicContact CB-CB 3.6Å; M259-P318 WeakPolarHBondContact O-CA 3.5Å; M259-P318 WeakPolarHBondContact O-CB 3.29Å; P318-L322 PolarHBondContact O-N 3.37Å
319	I	98.9	Very high	98.2	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-76.6	-41.5	178.4	-66.6	158.7	0	0	0	109.8	Y67 M70 R74 D317 L322 R323	Y67-I319 HydrophobicContact CD2-CG2 4.15Å; Y67-I319 HydrophobicContact CE2-CG2 3.53Å; M70-I319 HydrophobicContact CB-CD1 4.16Å; M70-I319 HydrophobicContact CB-CG1 3.63Å; M70-I319 HydrophobicContact CE-CG1 4.35Å; R74-I319 HydrophobicContact CB-CD1 3.69Å; R74-I319 HydrophobicContact CG-CD1 4.09Å; D317-I319 VanDerWaalsContact C-N 3.26Å; D317-I319 PolarHBondContact O-N 2.88Å; D317-I319 WeakPolarHBondContact OD1-CA 3.46Å; D317-I319 WeakPolarHBondContact OD1-CB 3.49Å; D317-I319 PolarHBondContact OD1-N 3.33Å; I319-L322 PolarHBondContact O-N 3.42Å; I319-R323 VanDerWaalsContact O-CB 3.31Å; I319-R323 WeakPolarHBondContact O-CB 3.42Å; I319-R323 PolarHBondContact O-N 3.12Å
320	M	98.7	Very high	98.1	Very high	47 Å²	47	58 Å²	58	23%	0.232	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-47.8	174	-172.7	-164.1	81.5	0	0	111.3	D317 L322 R323 E324	D317-M320 HydrophobicContact CB-CB 3.93Å; D317-M320 WeakPolarHBondContact O-CB 3.37Å; D317-M320 PolarHBondContact O-N 2.96Å; D317-M320 PolarHBondContact OD1-N 3.4Å; M320-L322 VanDerWaalsContact C-N 3.34Å; M320-L322 PolarHBondContact O-N 3.31Å; M320-R323 WeakPolarHBondContact O-CB 3.07Å; M320-R323 PolarHBondContact O-N 2.79Å; M320-E324 WeakPolarHBondContact O-CG 3.39Å; M320-E324 PolarHBondContact O-N 3.2Å
321	L	98.8	Very high	98.1	Very high	42 Å²	42	51.5 Å²	51.5	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-43.5	179	-70.4	176.4	0	0	0	112	M259 D317 R325	M259-L321 HydrophobicContact CB-CD1 4.44Å; D317-L321 VanDerWaalsContact O-CG 3.31Å; D317-L321 WeakPolarHBondContact O-CG 3.44Å; D317-L321 PolarHBondContact O-N 2.94Å; L321-R325 WeakPolarHBondContact O-CB 3.4Å; L321-R325 PolarHBondContact O-N 2.95Å; L321-R325 VanDerWaalsContact O-N 3.15Å
322	L	98.8	Very high	98.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-43.5	175.7	-179.4	61.3	0	0	0	111.6	L58 Y67 M70 I261 P318 I319 M320 E324 R325 M326	L58-L322 HydrophobicContact CD2-CD1 3.98Å; Y67-L322 HydrophobicContact CD2-CD2 4.48Å; M70-L322 HydrophobicContact CE-CB 3.83Å; M70-L322 HydrophobicContact CE-CD2 3.37Å; M70-L322 HydrophobicContact CE-CG 4.24Å; I261-L322 HydrophobicContact CG2-CB 4.27Å; I261-L322 HydrophobicContact CG2-CD1 4.02Å; I261-L322 HydrophobicContact CG2-CD2 4.33Å; I261-L322 HydrophobicContact CG2-CG 4.43Å; P318-L322 PolarHBondContact O-N 3.37Å; I319-L322 PolarHBondContact O-N 3.42Å; M320-L322 VanDerWaalsContact C-N 3.34Å; M320-L322 PolarHBondContact O-N 3.31Å; L322-E324 PolarHBondContact O-N 2.95Å; L322-R325 PolarHBondContact O-N 3.34Å; L322-M326 HydrophobicContact CD1-CG 4.12Å; L322-M326 HydrophobicContact CD1-SD 4.21Å; L322-M326 HydrophobicContact CD2-SD 4.28Å; L322-M326 HydrophobicContact CG-CG 4.25Å; L322-M326 HydrophobicContact CG-SD 3.82Å; L322-M326 VanDerWaalsContact O-CG 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.45Å; L322-M326 PolarHBondContact O-N 2.94Å
323	R	98.6	Very high	98.1	Very high	89 Å²	89	48.9 Å²	48.9	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-55.8	-49.8	177.5	169.6	170.6	-177.4	-97.8	-0.2	111.9	Y67 I319 M320 R325 M326 I327 L337	Y67-R323 HydrophobicContact CE2-CB 3.95Å; I319-R323 VanDerWaalsContact O-CB 3.31Å; I319-R323 WeakPolarHBondContact O-CB 3.42Å; I319-R323 PolarHBondContact O-N 3.12Å; M320-R323 WeakPolarHBondContact O-CB 3.07Å; M320-R323 PolarHBondContact O-N 2.79Å; R323-R325 VanDerWaalsContact C-N 3.33Å; R323-R325 PolarHBondContact O-N 2.89Å; R323-M326 PolarHBondContact O-N 3.49Å; R323-I327 HydrophobicContact CG-CD1 3.73Å; R323-I327 WeakPolarHBondContact O-CG1 3.25Å; R323-I327 PolarHBondContact O-N 2.93Å; R323-L337 HydrophobicContact CB-CD1 4.22Å; R323-L337 HydrophobicContact CG-CD1 3.72Å
324	E	98.3	Very high	98.1	Very high	85 Å²	85	45.8 Å²	45.8	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-43.9	178.8	-72	175.8	177.8	0	0	111.1	M320 L322 M326 I327 N328	M320-E324 WeakPolarHBondContact O-CG 3.39Å; M320-E324 PolarHBondContact O-N 3.2Å; L322-E324 PolarHBondContact O-N 2.95Å; E324-M326 VanDerWaalsContact C-N 3.33Å; E324-M326 PolarHBondContact O-N 3.31Å; E324-I327 PolarHBondContact O-N 2.75Å; E324-N328 VanDerWaalsContact O-CB 3.24Å; E324-N328 WeakPolarHBondContact O-CB 3.32Å; E324-N328 PolarHBondContact O-N 3.48Å; E324-N328 PolarHBondContact O-ND2 3.38Å
325	R	98.1	Very high	98.1	Very high	42 Å²	42	47.4 Å²	47.4	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-41.7	176	-172.3	175.8	-75	160.5	-1.7	111.9	D260 L262 L321 L322 R323 N329	D260-R325 IonicContact OD1-CZ 2.74Å; D260-R325 IonicContact OD1-NH1 3.36Å; D260-R325 PolarHBondContact OD1-NH1 3.29Å; D260-R325 IonicContact OD1-NH2 2.81Å; D260-R325 IonicContact OD2-CZ 3.06Å; D260-R325 IonicContact OD2-NH1 3.56Å; D260-R325 PolarHBondContact OD2-NH1 2.92Å; D260-R325 IonicContact OD2-NH2 3.24Å; D260-R325 PolarHBondContact OD2-NH2 3.15Å; L262-R325 VanDerWaalsContact CG-NH1 3.26Å; L321-R325 WeakPolarHBondContact O-CB 3.4Å; L321-R325 PolarHBondContact O-N 2.95Å; L321-R325 VanDerWaalsContact O-N 3.15Å; L322-R325 PolarHBondContact O-N 3.34Å; R323-R325 VanDerWaalsContact C-N 3.33Å; R323-R325 PolarHBondContact O-N 2.89Å; R325-N329 WeakPolarHBondContact O-CB 3.29Å; R325-N329 PolarHBondContact O-N 2.83Å; R325-N329 PolarHBondContact O-ND2 3.36Å
326	M	98.4	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-46.1	178.2	-71.2	172.3	73.8	0	0	112.3	A63 L64 Y67 L322 R323 E324 N330 L331 S332 L337	A63-M326 HydrophobicContact CB-CE 3.68Å; A63-M326 HydrophobicContact CB-CG 3.81Å; A63-M326 HydrophobicContact CB-SD 3.88Å; L64-M326 HydrophobicContact CD2-CE 3.74Å; L64-M326 HydrophobicContact CG-CE 4.08Å; Y67-M326 HydrophobicContact CD2-SD 4.42Å; Y67-M326 HydrophobicContact CG-SD 4.37Å; L322-M326 HydrophobicContact CD1-CG 4.12Å; L322-M326 HydrophobicContact CD1-SD 4.21Å; L322-M326 HydrophobicContact CD2-SD 4.28Å; L322-M326 HydrophobicContact CG-CG 4.25Å; L322-M326 HydrophobicContact CG-SD 3.82Å; L322-M326 VanDerWaalsContact O-CG 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.45Å; L322-M326 PolarHBondContact O-N 2.94Å; R323-M326 PolarHBondContact O-N 3.49Å; E324-M326 VanDerWaalsContact C-N 3.33Å; E324-M326 PolarHBondContact O-N 3.31Å; M326-N330 PolarHBondContact O-N 2.74Å; M326-L331 HydrophobicContact CB-CB 4.39Å; M326-L331 PolarHBondContact O-N 3.37Å; M326-S332 PolarHBondContact O-N 2.97Å; M326-L337 HydrophobicContact CE-CD2 3.7Å; M326-L337 HydrophobicContact SD-CD2 4.29Å
327	I	98.1	Very high	98.1	Very high	54 Å²	54	40.5 Å²	40.5	28%	0.277	20%	0.2	S	C	.	.	H	α-helix	trans	-67.2	-48.2	-179.3	-67.1	165.4	0	0	0	110.6	R323 E324 N329 N330 V334 L337	R323-I327 HydrophobicContact CG-CD1 3.73Å; R323-I327 WeakPolarHBondContact O-CG1 3.25Å; R323-I327 PolarHBondContact O-N 2.93Å; E324-I327 PolarHBondContact O-N 2.75Å; I327-N329 PolarHBondContact O-N 3.09Å; I327-N330 PolarHBondContact O-N 3.08Å; I327-N330 VanDerWaalsContact O-N 3.07Å; I327-V334 HydrophobicContact CD1-CG2 3.69Å; I327-V334 HydrophobicContact CG1-CG2 4.47Å; I327-L337 HydrophobicContact CD1-CD1 4.4Å; I327-L337 HydrophobicContact CG1-CD1 4.39Å
328	N	97.5	Very high	98.1	Very high	131 Å²	131	44.7 Å²	44.7	70%	0.701	22%	0.218	S	C	*	.	H	α-helix	trans	-65.4	-26	-176.5	-67.8	-15.2	0	0	0	113	E324	E324-N328 VanDerWaalsContact O-CB 3.24Å; E324-N328 WeakPolarHBondContact O-CB 3.32Å; E324-N328 PolarHBondContact O-N 3.48Å; E324-N328 PolarHBondContact O-ND2 3.38Å
329	N	97.3	Very high	98	Very high	56 Å²	56	49.5 Å²	49.5	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	10.3	177.2	-71.1	-77.5	0	0	0	113.7	S33 A36 R325 I327 L331	S33-N329 PolarHBondContact OG-O 3.08Å; A36-N329 HydrophobicContact CB-CB 3.54Å; R325-N329 WeakPolarHBondContact O-CB 3.29Å; R325-N329 PolarHBondContact O-N 2.83Å; R325-N329 PolarHBondContact O-ND2 3.36Å; I327-N329 PolarHBondContact O-N 3.09Å; N329-L331 HydrophobicContact CB-CD1 4.32Å; N329-L331 HydrophobicContact CB-CG 4.1Å; N329-L331 PolarHBondContact O-N 3.01Å; N329-L331 VanDerWaalsContact O-N 3.13Å
330	N	97.6	Very high	98	Very high	70 Å²	70	50.2 Å²	50.2	37%	0.374	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	30.5	-177.3	-170.1	49.5	0	0	0	112.9	N31 F32 S33 M326 I327	N31-N330 PolarHBondContact O-ND2 3.04Å; F32-N330 CarbonylContact C-O 3.54Å; F32-N330 WeakPolarHBondContact CA-O 3.45Å; F32-N330 WeakPolarHBondContact CD1-O 3.24Å; S33-N330 PolarHBondContact N-O 2.92Å; M326-N330 PolarHBondContact O-N 2.74Å; I327-N330 PolarHBondContact O-N 3.08Å; I327-N330 VanDerWaalsContact O-N 3.07Å
331	L	97.9	Very high	98	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-83.2	-17.7	174.7	-68.7	175.2	0	0	0	112.1	A36 L58 R60 A63 M326 N329	A36-L331 HydrophobicContact CB-CD1 4.02Å; A36-L331 HydrophobicContact CB-CD2 4.17Å; A36-L331 HydrophobicContact CB-CG 4.14Å; L58-L331 HydrophobicContact CD2-CD1 3.93Å; L58-L331 HydrophobicContact CG-CD1 4.04Å; R60-L331 HydrophobicContact CB-CD2 4.09Å; R60-L331 VanDerWaalsContact CD-O 3.31Å; R60-L331 WeakPolarHBondContact CD-O 3.39Å; R60-L331 VanDerWaalsContact CG-O 3.28Å; R60-L331 WeakPolarHBondContact CG-O 3.36Å; R60-L331 PolarHBondContact NH1-O 3.11Å; A63-L331 HydrophobicContact CB-CD1 4.4Å; M326-L331 HydrophobicContact CB-CB 4.39Å; M326-L331 PolarHBondContact O-N 3.37Å; N329-L331 HydrophobicContact CB-CD1 4.32Å; N329-L331 HydrophobicContact CB-CG 4.1Å; N329-L331 PolarHBondContact O-N 3.01Å; N329-L331 VanDerWaalsContact O-N 3.13Å
332	S	97.8	Very high	98	Very high	3 Å²	3	51 Å²	51	2%	0.021	26%	0.257	C	S	.	.			trans	-165.5	164.1	177.2	-174.4	0	0	0	0	109.1	F32 M326 E336 L337	F32-S332 VanDerWaalsContact CE1-C 3.49Å; M326-S332 PolarHBondContact O-N 2.97Å; S332-E336 PolarHBondContact OG-OE2 3.45Å; S332-E336 VanDerWaalsContact OG-OE2 3.06Å; S332-L337 WeakPolarHBondContact OG-CD2 3.41Å
333	N	97	Very high	98	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.144	28%	0.282	C	S	.	.			trans	-109.3	176.2	169.9	72.4	33.9	0	0	0	111.6	Q30 F32 E335 E336 L337	Q30-N333 PolarHBondContact OE1-ND2 3.26Å; F32-N333 HydrophobicContact CE1-CB 3.94Å; F32-N333 HydrophobicContact CZ-CB 4.02Å; F32-N333 WeakPolarHBondContact CZ-ND2 3.39Å; N333-E335 PolarHBondContact OD1-N 2.89Å; N333-E336 PolarHBondContact OD1-N 2.86Å; N333-L337 WeakPolarHBondContact O-CG 3.09Å; N333-L337 PolarHBondContact O-N 3.33Å
334	V	97.3	Very high	98	Very high	47 Å²	47	51.4 Å²	51.4	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-36.6	-179.5	173.6	0	0	0	0	112.8	I327 K338	I327-V334 HydrophobicContact CD1-CG2 3.69Å; I327-V334 HydrophobicContact CG1-CG2 4.47Å; V334-K338 HydrophobicContact CG1-CD 4.22Å; V334-K338 WeakPolarHBondContact O-CG 3.36Å; V334-K338 PolarHBondContact O-N 2.91Å; V334-K338 VanDerWaalsContact O-N 3.09Å
335	E	97.4	Very high	98.1	Very high	101 Å²	101	52.8 Å²	52.8	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-73.1	-40.7	-175.7	-60.5	-51.1	132.7	0	0	111.9	N333 L337 K338 E339	N333-E335 PolarHBondContact OD1-N 2.89Å; E335-L337 VanDerWaalsContact C-N 3.31Å; E335-L337 PolarHBondContact O-N 2.91Å; E335-K338 WeakPolarHBondContact O-CB 3.36Å; E335-K338 PolarHBondContact O-N 2.71Å; E335-K338 VanDerWaalsContact O-N 3.12Å; E335-K338 IonicContact OE1-NZ 2.82Å; E335-K338 PolarHBondContact OE1-NZ 2.56Å; E335-K338 WeakPolarHBondContact OE2-CD 3.36Å; E335-K338 IonicContact OE2-NZ 3.97Å; E335-K338 PolarHBondContact OE2-NZ 3.25Å; E335-E339 WeakPolarHBondContact O-CG 3.48Å; E335-E339 PolarHBondContact O-N 3.29Å
336	E	97.4	Very high	98.1	Very high	30 Å²	30	56.8 Å²	56.8	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-40	174.2	-179.7	169.6	-135.9	0	0	111.7	R60 L64 S332 N333 E339 I340	R60-E336 IonicContact CZ-OE1 2.77Å; R60-E336 IonicContact CZ-OE2 2.68Å; R60-E336 VanDerWaalsContact CZ-OE2 3.25Å; R60-E336 IonicContact NH1-OE1 3.86Å; R60-E336 IonicContact NH1-OE2 2.92Å; R60-E336 PolarHBondContact NH1-OE2 2.94Å; R60-E336 IonicContact NH2-OE1 3.96Å; R60-E336 PolarHBondContact NH2-OE1 3.48Å; R60-E336 IonicContact NH2-OE2 2.87Å; R60-E336 PolarHBondContact NH2-OE2 3.42Å; L64-E336 HydrophobicContact CD2-CG 4.26Å; S332-E336 PolarHBondContact OG-OE2 3.45Å; S332-E336 VanDerWaalsContact OG-OE2 3.06Å; N333-E336 PolarHBondContact OD1-N 2.86Å; E336-E339 PolarHBondContact O-N 3.45Å; E336-I340 WeakPolarHBondContact O-CG1 3.42Å; E336-I340 PolarHBondContact O-N 3.4Å; E336-I340 VanDerWaalsContact O-N 3.15Å
337	L	98.4	Very high	98.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-34.5	175.7	-61.4	-177.7	0	0	0	112.3	L64 Y67 R323 M326 I327 S332 N333 E335 I340 D341	L64-L337 HydrophobicContact CD2-CD2 4.26Å; Y67-L337 HydrophobicContact CD1-CD2 3.65Å; Y67-L337 HydrophobicContact CD2-CD2 4.48Å; Y67-L337 HydrophobicContact CE1-CB 3.86Å; Y67-L337 HydrophobicContact CE1-CD2 3.77Å; Y67-L337 HydrophobicContact CE1-CG 4.26Å; Y67-L337 HydrophobicContact CE2-CD1 4.44Å; Y67-L337 HydrophobicContact CG-CD2 4.02Å; R323-L337 HydrophobicContact CB-CD1 4.22Å; R323-L337 HydrophobicContact CG-CD1 3.72Å; M326-L337 HydrophobicContact CE-CD2 3.7Å; M326-L337 HydrophobicContact SD-CD2 4.29Å; I327-L337 HydrophobicContact CD1-CD1 4.4Å; I327-L337 HydrophobicContact CG1-CD1 4.39Å; S332-L337 WeakPolarHBondContact OG-CD2 3.41Å; N333-L337 WeakPolarHBondContact O-CG 3.09Å; N333-L337 PolarHBondContact O-N 3.33Å; E335-L337 VanDerWaalsContact C-N 3.31Å; E335-L337 PolarHBondContact O-N 2.91Å; L337-I340 HydrophobicContact CD2-CD1 4.25Å; L337-I340 PolarHBondContact O-N 3.06Å; L337-D341 PolarHBondContact O-N 3.2Å
338	K	98.1	Very high	98.1	Very high	102 Å²	102	57 Å²	57	44%	0.443	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-35.1	173.2	-75.7	170.7	178.1	169.6	0	112.4	V334 E335 D341 A342	V334-K338 HydrophobicContact CG1-CD 4.22Å; V334-K338 WeakPolarHBondContact O-CG 3.36Å; V334-K338 PolarHBondContact O-N 2.91Å; V334-K338 VanDerWaalsContact O-N 3.09Å; E335-K338 WeakPolarHBondContact O-CB 3.36Å; E335-K338 PolarHBondContact O-N 2.71Å; E335-K338 VanDerWaalsContact O-N 3.12Å; E335-K338 IonicContact OE1-NZ 2.82Å; E335-K338 PolarHBondContact OE1-NZ 2.56Å; E335-K338 WeakPolarHBondContact OE2-CD 3.36Å; E335-K338 IonicContact OE2-NZ 3.97Å; E335-K338 PolarHBondContact OE2-NZ 3.25Å; K338-D341 WeakPolarHBondContact O-CB 3.26Å; K338-D341 PolarHBondContact O-N 3.39Å; K338-A342 WeakPolarHBondContact O-CB 3.34Å; K338-A342 PolarHBondContact O-N 2.8Å
339	E	98.4	Very high	98.2	Very high	102 Å²	102	54.3 Å²	54.3	48%	0.477	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-45	173.2	-72.1	177.3	-176.6	0	0	110.5	E335 E336 D341 A342 D343	E335-E339 WeakPolarHBondContact O-CG 3.48Å; E335-E339 PolarHBondContact O-N 3.29Å; E336-E339 PolarHBondContact O-N 3.45Å; E339-D341 VanDerWaalsContact C-N 3.33Å; E339-D341 PolarHBondContact O-N 2.95Å; E339-A342 PolarHBondContact O-N 3.15Å; E339-D343 PolarHBondContact O-N 3.09Å
340	I	98.8	Very high	98.3	Very high	24 Å²	24	56.8 Å²	56.8	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-45.1	173.3	-64.5	171.3	0	0	0	110.9	L64 Y67 R68 E336 L337 A342 D343 V344	L64-I340 HydrophobicContact CD2-CD1 3.75Å; Y67-I340 HydrophobicContact CD1-CB 4.42Å; Y67-I340 HydrophobicContact CD1-CD1 4.23Å; Y67-I340 HydrophobicContact CD1-CG2 4.03Å; Y67-I340 HydrophobicContact CE1-CB 4.4Å; Y67-I340 HydrophobicContact CE1-CG2 4.25Å; R68-I340 HydrophobicContact CB-CG2 3.82Å; R68-I340 HydrophobicContact CG-CG2 3.87Å; E336-I340 WeakPolarHBondContact O-CG1 3.42Å; E336-I340 PolarHBondContact O-N 3.4Å; E336-I340 VanDerWaalsContact O-N 3.15Å; L337-I340 HydrophobicContact CD2-CD1 4.25Å; L337-I340 PolarHBondContact O-N 3.06Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 3.19Å; I340-D343 PolarHBondContact O-N 3.22Å; I340-V344 HydrophobicContact CG2-CG2 4.13Å; I340-V344 WeakPolarHBondContact O-CB 3.31Å; I340-V344 VanDerWaalsContact O-CG2 3.25Å; I340-V344 WeakPolarHBondContact O-CG2 3.31Å; I340-V344 PolarHBondContact O-N 3.42Å
341	D	98.7	Very high	98.3	Very high	48 Å²	48	53.7 Å²	53.7	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-42	177.2	-76.4	-25.3	0	0	0	112.5	Y67 Q71 L337 K338 E339 K345	Y67-D341 PolarHBondContact OH-OD1 3.19Å; Q71-D341 VanDerWaalsContact CG-OD1 3.24Å; Q71-D341 WeakPolarHBondContact CG-OD1 3.18Å; Q71-D341 PolarHBondContact NE2-OD1 3.22Å; L337-D341 PolarHBondContact O-N 3.2Å; K338-D341 WeakPolarHBondContact O-CB 3.26Å; K338-D341 PolarHBondContact O-N 3.39Å; E339-D341 VanDerWaalsContact C-N 3.33Å; E339-D341 PolarHBondContact O-N 2.95Å; D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.29Å; D341-K345 PolarHBondContact O-N 3.46Å
342	A	98.7	Very high	98.4	Very high	58 Å²	58	54.1 Å²	54.1	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-44.6	178.6	0	0	0	0	0	111.7	K338 E339 I340 K345 K346	K338-A342 WeakPolarHBondContact O-CB 3.34Å; K338-A342 PolarHBondContact O-N 2.8Å; E339-A342 PolarHBondContact O-N 3.15Å; I340-A342 VanDerWaalsContact C-N 3.31Å; I340-A342 PolarHBondContact O-N 3.19Å; A342-K345 PolarHBondContact O-N 3.4Å; A342-K346 PolarHBondContact O-N 3.5Å
343	D	98.7	Very high	98.4	Very high	98 Å²	98	60.5 Å²	60.5	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-45.1	177.5	-79.5	-12.2	0	0	0	111.9	E339 I340 K345 K346 E347	E339-D343 PolarHBondContact O-N 3.09Å; I340-D343 PolarHBondContact O-N 3.22Å; D343-K345 VanDerWaalsContact C-N 3.34Å; D343-K345 PolarHBondContact O-N 2.76Å; D343-K346 WeakPolarHBondContact O-CB 3.25Å; D343-K346 PolarHBondContact O-N 2.9Å; D343-E347 PolarHBondContact O-N 3.29Å
344	V	98.9	Very high	98.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-42.7	176.4	168.5	0	0	0	0	111	R68 Q71 V72 R75 I340 K346 E347 V348	R68-V344 HydrophobicContact CG-CG2 3.83Å; Q71-V344 HydrophobicContact CB-CG1 4.46Å; Q71-V344 HydrophobicContact CG-CB 4.31Å; Q71-V344 HydrophobicContact CG-CG1 4.02Å; Q71-V344 HydrophobicContact CG-CG2 4.47Å; V72-V344 HydrophobicContact CB-CG1 4.24Å; V72-V344 HydrophobicContact CG2-CB 4.3Å; V72-V344 HydrophobicContact CG2-CG1 3.72Å; V72-V344 HydrophobicContact CG2-CG2 3.67Å; R75-V344 HydrophobicContact CB-CG1 4.13Å; R75-V344 HydrophobicContact CG-CG1 3.9Å; I340-V344 HydrophobicContact CG2-CG2 4.13Å; I340-V344 WeakPolarHBondContact O-CB 3.31Å; I340-V344 VanDerWaalsContact O-CG2 3.25Å; I340-V344 WeakPolarHBondContact O-CG2 3.31Å; I340-V344 PolarHBondContact O-N 3.42Å; V344-K346 VanDerWaalsContact C-N 3.31Å; V344-K346 PolarHBondContact O-N 2.99Å; V344-E347 PolarHBondContact O-N 2.95Å; V344-V348 HydrophobicContact CG1-CG2 4.48Å; V344-V348 WeakPolarHBondContact O-CG2 3.38Å; V344-V348 PolarHBondContact O-N 3.5Å
345	K	98.7	Very high	98.6	Very high	114 Å²	114	59.3 Å²	59.3	50%	0.496	29%	0.289	S	S	.	.	H	α-helix	trans	-58.5	-46.6	175.6	179.8	179.3	176.2	-175.5	0	110.5	D341 A342 D343 V348 E349	D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.29Å; D341-K345 PolarHBondContact O-N 3.46Å; A342-K345 PolarHBondContact O-N 3.4Å; D343-K345 VanDerWaalsContact C-N 3.34Å; D343-K345 PolarHBondContact O-N 2.76Å; K345-V348 PolarHBondContact O-N 3.35Å; K345-E349 HydrophobicContact CG-CG 4.5Å; K345-E349 WeakPolarHBondContact O-CG 3.33Å; K345-E349 PolarHBondContact O-N 3.24Å
346	K	98.8	Very high	98.6	Very high	127 Å²	127	56.7 Å²	56.7	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-60.3	-47.8	177.9	-177.5	-179.5	171	-174.9	0	111.8	A342 D343 V344 V348 E349 E350	A342-K346 PolarHBondContact O-N 3.5Å; D343-K346 WeakPolarHBondContact O-CB 3.25Å; D343-K346 PolarHBondContact O-N 2.9Å; V344-K346 VanDerWaalsContact C-N 3.31Å; V344-K346 PolarHBondContact O-N 2.99Å; K346-V348 VanDerWaalsContact C-N 3.32Å; K346-V348 PolarHBondContact O-N 3.03Å; K346-E349 PolarHBondContact O-N 3.47Å; K346-E350 WeakPolarHBondContact CE-OE1 3.36Å; K346-E350 HydrophobicContact CG-CG 4.49Å; K346-E350 IonicContact NZ-OE1 3.87Å; K346-E350 WeakPolarHBondContact O-CG 3.32Å; K346-E350 PolarHBondContact O-N 3.15Å
347	E	98.7	Very high	98.6	Very high	55 Å²	55	59.4 Å²	59.4	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-54.4	-46.9	177.1	-179.8	-172.9	163.4	0	0	111.9	R68 D343 V344 E350 A351	R68-E347 IonicContact CZ-OE2 2.69Å; R68-E347 VanDerWaalsContact CZ-OE2 3.24Å; R68-E347 IonicContact NH1-OE2 2.76Å; R68-E347 PolarHBondContact NH1-OE2 2.97Å; R68-E347 IonicContact NH2-OE2 3.69Å; R68-E347 PolarHBondContact NH2-OE2 3.21Å; D343-E347 PolarHBondContact O-N 3.29Å; V344-E347 PolarHBondContact O-N 2.95Å; E347-E350 PolarHBondContact O-N 2.89Å; E347-A351 WeakPolarHBondContact O-CB 3.39Å; E347-A351 PolarHBondContact O-N 3.11Å
348	V	98.9	Very high	98.7	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-37.5	-178.9	174.4	0	0	0	0	112	R75 K79 V133 V344 K345 K346 A351 A352	R75-V348 HydrophobicContact CB-CB 4.42Å; R75-V348 HydrophobicContact CB-CG1 4.5Å; R75-V348 HydrophobicContact CB-CG2 3.86Å; K79-V348 HydrophobicContact CB-CG1 3.68Å; K79-V348 HydrophobicContact CG-CG1 3.96Å; V133-V348 HydrophobicContact CG1-CG2 4.23Å; V344-V348 HydrophobicContact CG1-CG2 4.48Å; V344-V348 WeakPolarHBondContact O-CG2 3.38Å; V344-V348 PolarHBondContact O-N 3.5Å; K345-V348 PolarHBondContact O-N 3.35Å; K346-V348 VanDerWaalsContact C-N 3.32Å; K346-V348 PolarHBondContact O-N 3.03Å; V348-A351 PolarHBondContact O-N 2.77Å; V348-A352 WeakPolarHBondContact O-CB 3.4Å; V348-A352 PolarHBondContact O-N 3.26Å
349	E	98.8	Very high	98.7	Very high	75 Å²	75	58.3 Å²	58.3	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-41.8	175.2	-67.6	-56.6	151.2	0	0	111.8	K79 K345 K346 A351 A352 Q353	K79-E349 WeakPolarHBondContact CE-OE1 3.16Å; K79-E349 IonicContact NZ-OE1 3.26Å; K79-E349 PolarHBondContact NZ-OE1 3.34Å; K79-E349 IonicContact NZ-OE2 2.73Å; K79-E349 PolarHBondContact NZ-OE2 3.36Å; K345-E349 HydrophobicContact CG-CG 4.5Å; K345-E349 WeakPolarHBondContact O-CG 3.33Å; K345-E349 PolarHBondContact O-N 3.24Å; K346-E349 PolarHBondContact O-N 3.47Å; E349-A351 PolarHBondContact O-N 3.01Å; E349-A352 PolarHBondContact O-N 3.01Å; E349-Q353 PolarHBondContact O-N 3.38Å
350	E	98.8	Very high	98.7	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-42.8	175.1	-72.3	176.2	178.6	0	0	111.4	K346 E347 A352 Q353 F354	K346-E350 WeakPolarHBondContact CE-OE1 3.36Å; K346-E350 HydrophobicContact CG-CG 4.49Å; K346-E350 IonicContact NZ-OE1 3.87Å; K346-E350 WeakPolarHBondContact O-CG 3.32Å; K346-E350 PolarHBondContact O-N 3.15Å; E347-E350 PolarHBondContact O-N 2.89Å; E350-A352 PolarHBondContact O-N 3.2Å; E350-Q353 PolarHBondContact O-N 3.09Å; E350-F354 PolarHBondContact O-N 3.26Å
351	A	98.9	Very high	98.7	Very high	6 Å²	6	61.2 Å²	61.2	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-40.7	174.5	0	0	0	0	0	112.4	V133 K134 L137 E347 V348 E349 F354 A355	V133-A351 HydrophobicContact CB-CB 4.1Å; V133-A351 HydrophobicContact CG1-CB 3.67Å; K134-A351 HydrophobicContact CB-CB 4.24Å; L137-A351 HydrophobicContact CD1-CB 3.95Å; E347-A351 WeakPolarHBondContact O-CB 3.39Å; E347-A351 PolarHBondContact O-N 3.11Å; V348-A351 PolarHBondContact O-N 2.77Å; E349-A351 PolarHBondContact O-N 3.01Å; A351-F354 PolarHBondContact O-N 2.92Å; A351-A355 WeakPolarHBondContact O-CB 2.92Å; A351-A355 PolarHBondContact O-N 2.9Å
352	A	98.8	Very high	98.7	Very high	8 Å²	8	61.2 Å²	61.2	7%	0.066	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-39.4	177.1	0	0	0	0	0	112.5	K79 M83 L137 V348 E349 E350 F354 A355 T356	K79-A352 HydrophobicContact CD-CB 3.7Å; K79-A352 HydrophobicContact CG-CB 3.81Å; M83-A352 HydrophobicContact SD-CB 3.98Å; L137-A352 HydrophobicContact CD1-CB 4.12Å; V348-A352 WeakPolarHBondContact O-CB 3.4Å; V348-A352 PolarHBondContact O-N 3.26Å; E349-A352 PolarHBondContact O-N 3.01Å; E350-A352 PolarHBondContact O-N 3.2Å; A352-F354 VanDerWaalsContact C-N 3.33Å; A352-A355 PolarHBondContact O-N 3.22Å; A352-T356 WeakPolarHBondContact O-CG2 3.39Å; A352-T356 PolarHBondContact O-N 2.91Å; A352-T356 PolarHBondContact O-OG1 3.43Å
353	Q	98.8	Very high	98.7	Very high	138 Å²	138	63.6 Å²	63.6	65%	0.645	33%	0.327	S	S	*	.	H	α-helix	trans	-62.3	-42.9	174.5	-175.4	177.9	9	0	0	110.9	E349 E350 T356 S357	E349-Q353 PolarHBondContact O-N 3.38Å; E350-Q353 PolarHBondContact O-N 3.09Å; Q353-T356 PolarHBondContact O-N 2.99Å; Q353-T356 PolarHBondContact O-OG1 3.33Å; Q353-T356 VanDerWaalsContact O-OG1 3.13Å; Q353-S357 WeakPolarHBondContact O-CB 3.5Å; Q353-S357 PolarHBondContact O-N 3.22Å; Q353-S357 VanDerWaalsContact O-N 3.16Å; Q353-S357 PolarHBondContact O-OG 3.45Å
354	F	98.8	Very high	98.6	Very high	48 Å²	48	65 Å²	65	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-50.6	172.2	174.9	-96	0	0	0	111.4	K134 A138 E350 A351 A352 T356 S357 D358	K134-F354 HydrophobicContact CD-CD1 3.94Å; K134-F354 HydrophobicContact CD-CD2 4.48Å; K134-F354 HydrophobicContact CD-CE1 4.2Å; K134-F354 HydrophobicContact CD-CG 4.08Å; K134-F354 HydrophobicContact CG-CB 4.3Å; K134-F354 HydrophobicContact CG-CD1 3.35Å; K134-F354 HydrophobicContact CG-CE1 3.77Å; K134-F354 HydrophobicContact CG-CG 3.87Å; A138-F354 HydrophobicContact CB-CD1 4.27Å; A138-F354 HydrophobicContact CB-CE1 3.93Å; E350-F354 PolarHBondContact O-N 3.26Å; A351-F354 PolarHBondContact O-N 2.92Å; A352-F354 VanDerWaalsContact C-N 3.33Å; F354-T356 PolarHBondContact O-N 3.11Å; F354-T356 VanDerWaalsContact O-N 3.14Å; F354-S357 PolarHBondContact O-N 3.03Å; F354-S357 VanDerWaalsContact O-N 3.08Å; F354-S357 PolarHBondContact O-OG 3.42Å; F354-D358 HydrophobicContact CD1-CB 4.38Å; F354-D358 HydrophobicContact CD2-CB 4.47Å; F354-D358 HydrophobicContact CE1-CB 3.96Å; F354-D358 HydrophobicContact CE2-CB 4.05Å; F354-D358 HydrophobicContact CZ-CB 3.78Å; F354-D358 VanDerWaalsContact O-CB 3.31Å; F354-D358 WeakPolarHBondContact O-CB 3.46Å; F354-D358 PolarHBondContact O-N 2.82Å
355	A	98.7	Very high	98.6	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-24.3	-177.2	0	0	0	0	0	114	M83 L137 A138 T141 R143 A351 A352	M83-A355 HydrophobicContact CE-CB 4.13Å; L137-A355 HydrophobicContact CB-CB 3.74Å; A138-A355 HydrophobicContact CB-CB 4.4Å; T141-A355 WeakPolarHBondContact CB-O 3.31Å; T141-A355 HydrophobicContact CG2-CB 4.27Å; T141-A355 PolarHBondContact OG1-O 3.45Å; R143-A355 WeakPolarHBondContact CG-O 3.42Å; R143-A355 PolarHBondContact NH1-O 3.37Å; A351-A355 WeakPolarHBondContact O-CB 2.92Å; A351-A355 PolarHBondContact O-N 2.9Å; A352-A355 PolarHBondContact O-N 3.22Å
356	T	98.1	Very high	98.6	Very high	47 Å²	47	66.6 Å²	66.6	29%	0.288	34%	0.343	S	S	.	.	H	α-helix	trans	-90.8	-20.8	176.3	54.1	0	0	0	0	113.7	M83 F88 R143 A352 Q353 F354	M83-T356 HydrophobicContact CE-CG2 3.81Å; F88-T356 HydrophobicContact CD1-CG2 4Å; F88-T356 HydrophobicContact CD2-CG2 3.96Å; F88-T356 HydrophobicContact CE1-CG2 4.07Å; F88-T356 HydrophobicContact CE2-CG2 4.03Å; F88-T356 HydrophobicContact CG-CG2 3.94Å; F88-T356 HydrophobicContact CZ-CG2 4.09Å; R143-T356 PolarHBondContact NH1-O 3.31Å; R143-T356 PolarHBondContact NH2-O 2.91Å; A352-T356 WeakPolarHBondContact O-CG2 3.39Å; A352-T356 PolarHBondContact O-N 2.91Å; A352-T356 PolarHBondContact O-OG1 3.43Å; Q353-T356 PolarHBondContact O-N 2.99Å; Q353-T356 PolarHBondContact O-OG1 3.33Å; Q353-T356 VanDerWaalsContact O-OG1 3.13Å; F354-T356 PolarHBondContact O-N 3.11Å; F354-T356 VanDerWaalsContact O-N 3.14Å
357	S	98.3	Very high	98.6	Very high	86 Å²	86	60.8 Å²	60.8	60%	0.601	32%	0.318	S	S	*	.	H	α-helix	trans	-103.4	-20.6	-179.6	57.2	0	0	0	0	115	Q353 F354	Q353-S357 WeakPolarHBondContact O-CB 3.5Å; Q353-S357 PolarHBondContact O-N 3.22Å; Q353-S357 VanDerWaalsContact O-N 3.16Å; Q353-S357 PolarHBondContact O-OG 3.45Å; F354-S357 PolarHBondContact O-N 3.03Å; F354-S357 VanDerWaalsContact O-N 3.08Å; F354-S357 PolarHBondContact O-OG 3.42Å
358	D	98.7	Very high	98.5	Very high	17 Å²	17	61 Å²	61	9%	0.091	32%	0.317	C	S	.	.	S	Bend	trans	-65.8	131	176.7	-172	54.1	0	0	0	110.2	R143 G145 F354	R143-D358 HydrophobicContact CB-CB 4.05Å; R143-D358 VanDerWaalsContact CB-OD2 3.31Å; R143-D358 WeakPolarHBondContact CB-OD2 3.35Å; R143-D358 WeakPolarHBondContact CD-O 3.49Å; R143-D358 HydrophobicContact CG-CB 4.36Å; R143-D358 WeakPolarHBondContact CG-O 3.47Å; R143-D358 PolarHBondContact NH1-O 2.71Å; G145-D358 VanDerWaalsContact CA-OD2 3.3Å; G145-D358 WeakPolarHBondContact CA-OD2 3.4Å; G145-D358 PolarHBondContact N-OD2 3.49Å; F354-D358 HydrophobicContact CD1-CB 4.38Å; F354-D358 HydrophobicContact CD2-CB 4.47Å; F354-D358 HydrophobicContact CE1-CB 3.96Å; F354-D358 HydrophobicContact CE2-CB 4.05Å; F354-D358 HydrophobicContact CZ-CB 3.78Å; F354-D358 VanDerWaalsContact O-CB 3.31Å; F354-D358 WeakPolarHBondContact O-CB 3.46Å; F354-D358 PolarHBondContact O-N 2.82Å
359	P	98.6	Very high	98.5	Very high	64 Å²	64	65.1 Å²	65.1	42%	0.416	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-69	158.7	-174.2	27.8	-36.3	0	0	0	112.7	K144	K144-P359 HydrophobicContact CD-CG 3.87Å; K144-P359 VanDerWaalsContact CE-CG 3.42Å; K144-P359 HydrophobicContact CG-CG 4.47Å; K144-P359 PolarHBondContact N-O 3.15Å; K144-P359 VanDerWaalsContact N-O 3.09Å
360	E	98.8	Very high	98.5	Very high	151 Å²	151	66.1 Å²	66.1	71%	0.706	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-59.8	156.4	169.9	-69.2	-179.5	107.9	0	0	111.4
361	P	98.5	Very high	98.4	Very high	35 Å²	35	66.7 Å²	66.7	23%	0.227	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-57.5	139.8	170.9	-22.1	33.2	0	0	0	111.2	G142 K144 K149	G142-P361 VanDerWaalsContact O-CD 3.25Å; G142-P361 WeakPolarHBondContact O-CD 3.33Å; K144-P361 HydrophobicContact CB-CG 4.38Å; K149-P361 WeakPolarHBondContact O-CG 3.49Å
362	P	98.4	Very high	98.3	Very high	49 Å²	49	75.3 Å²	75.3	32%	0.318	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.3	140.7	175.5	26.8	-34	0	0	0	110.7	E364 E365	P362-E364 VanDerWaalsContact CB-OE2 3.29Å; P362-E364 WeakPolarHBondContact CB-OE2 3.49Å; P362-E364 PolarHBondContact O-N 2.9Å; P362-E365 HydrophobicContact CG-CB 4.17Å; P362-E365 HydrophobicContact CG-CG 3.72Å; P362-E365 PolarHBondContact O-N 2.94Å
363	L	98.4	Very high	98.2	Very high	107 Å²	107	82 Å²	82	56%	0.56	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62.2	-27.8	-176	179.7	60.5	0	0	0	112.1	E365 L366 Y388	L363-E365 PolarHBondContact O-N 2.69Å; L363-L366 HydrophobicContact CD1-CD1 3.86Å; L363-L366 WeakPolarHBondContact O-CB 3.47Å; L363-L366 PolarHBondContact O-N 3.08Å; L363-L366 VanDerWaalsContact O-N 3.15Å; L363-Y388 HydrophobicContact CD1-CE1 4.18Å; L363-Y388 HydrophobicContact CG-CE1 4.13Å
364	E	98	Very high	98.1	Very high	129 Å²	129	77.5 Å²	77.5	60%	0.603	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-63.1	-26.8	177.8	-59.5	73.4	-158.8	0	0	112.2	P362 L366 Y368	P362-E364 VanDerWaalsContact CB-OE2 3.29Å; P362-E364 WeakPolarHBondContact CB-OE2 3.49Å; P362-E364 PolarHBondContact O-N 2.9Å; E364-L366 VanDerWaalsContact C-N 3.32Å; E364-Y368 WeakPolarHBondContact O-CE1 3.45Å
365	E	98.3	Very high	98.1	Very high	61 Å²	61	80.4 Å²	80.4	29%	0.285	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-88.5	5.2	179.1	-66.5	-175.1	-164.1	0	0	113.3	K151 P362 L363 A367 Y368	K151-E365 PolarHBondContact NZ-O 2.83Å; P362-E365 HydrophobicContact CG-CB 4.17Å; P362-E365 HydrophobicContact CG-CG 3.72Å; P362-E365 PolarHBondContact O-N 2.94Å; L363-E365 PolarHBondContact O-N 2.69Å; E365-A367 VanDerWaalsContact C-N 3.26Å; E365-A367 PolarHBondContact O-N 3.34Å; E365-Y368 HydrophobicContact CB-CD1 4.35Å; E365-Y368 HydrophobicContact CB-CD2 4.13Å; E365-Y368 HydrophobicContact CB-CE2 4.39Å; E365-Y368 HydrophobicContact CB-CG 4.11Å; E365-Y368 HydrophobicContact CG-CD2 3.84Å; E365-Y368 HydrophobicContact CG-CE1 4.41Å; E365-Y368 HydrophobicContact CG-CE2 3.67Å; E365-Y368 HydrophobicContact CG-CG 4.29Å; E365-Y368 WeakPolarHBondContact O-CB 3.3Å; E365-Y368 PolarHBondContact O-N 2.7Å; E365-Y368 VanDerWaalsContact O-N 3.1Å
366	L	98.4	Very high	98	Very high	86 Å²	86	84.3 Å²	84.3	45%	0.45	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-48.4	-177.2	-179.7	152.5	0	0	0	111.9	K151 L363 E364 Y388	K151-L366 PolarHBondContact NZ-O 3.16Å; L363-L366 HydrophobicContact CD1-CD1 3.86Å; L363-L366 WeakPolarHBondContact O-CB 3.47Å; L363-L366 PolarHBondContact O-N 3.08Å; L363-L366 VanDerWaalsContact O-N 3.15Å; E364-L366 VanDerWaalsContact C-N 3.32Å; L366-Y388 HydrophobicContact CB-CD1 4.13Å; L366-Y388 HydrophobicContact CB-CE1 4.27Å; L366-Y388 HydrophobicContact CD1-CE1 4.27Å; L366-Y388 HydrophobicContact CD1-CE2 4.33Å; L366-Y388 HydrophobicContact CD2-CD2 4.1Å; L366-Y388 HydrophobicContact CD2-CE2 4.26Å; L366-Y388 HydrophobicContact CD2-CG 4.32Å
367	A	98.1	Very high	98.1	Very high	4 Å²	4	85.6 Å²	85.6	3%	0.033	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14	-175	0	0	0	0	0	114.4	E365 L370 V379 S390	E365-A367 VanDerWaalsContact C-N 3.26Å; E365-A367 PolarHBondContact O-N 3.34Å; A367-L370 HydrophobicContact CB-CD1 4.49Å; A367-L370 WeakPolarHBondContact O-CG 3.18Å; A367-V379 HydrophobicContact CB-CB 3.89Å; A367-V379 HydrophobicContact CB-CG1 4.15Å; A367-V379 HydrophobicContact CB-CG2 3.94Å; A367-S390 WeakPolarHBondContact O-CA 3.44Å; A367-S390 WeakPolarHBondContact O-CB 3.43Å; A367-S390 PolarHBondContact O-OG 3.42Å
368	Y	98.6	Very high	98.1	Very high	60 Å²	60	84 Å²	84	24%	0.235	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	153.6	176.4	-77.2	26.9	0	0	0	111	E364 E365 K389 V391	E364-Y368 WeakPolarHBondContact O-CE1 3.45Å; E365-Y368 HydrophobicContact CB-CD1 4.35Å; E365-Y368 HydrophobicContact CB-CD2 4.13Å; E365-Y368 HydrophobicContact CB-CE2 4.39Å; E365-Y368 HydrophobicContact CB-CG 4.11Å; E365-Y368 HydrophobicContact CG-CD2 3.84Å; E365-Y368 HydrophobicContact CG-CE1 4.41Å; E365-Y368 HydrophobicContact CG-CE2 3.67Å; E365-Y368 HydrophobicContact CG-CG 4.29Å; E365-Y368 WeakPolarHBondContact O-CB 3.3Å; E365-Y368 PolarHBondContact O-N 2.7Å; E365-Y368 VanDerWaalsContact O-N 3.1Å; Y368-K389 WeakPolarHBondContact CD1-O 3.47Å; Y368-K389 HydrophobicContact CE1-CB 4.44Å; Y368-K389 VanDerWaalsContact CE1-O 3.25Å; Y368-K389 WeakPolarHBondContact CE1-O 3.17Å; Y368-V391 HydrophobicContact CD2-CB 4.37Å; Y368-V391 HydrophobicContact CE1-CG2 4.15Å; Y368-V391 HydrophobicContact CE2-CB 4.34Å; Y368-V391 HydrophobicContact CE2-CG2 4.39Å; Y368-V391 HydrophobicContact CG-CB 4.5Å
369	H	98.1	Very high	98.1	Very high	89 Å²	89	84.8 Å²	84.8	41%	0.412	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	29.4	174.4	-45	-55.7	0	0	0	115.3	K149 V391 S392	K149-H369 PolarHBondContact NZ-NE2 3.14Å; H369-V391 PolarHBondContact N-O 2.99Å; H369-S392 VanDerWaalsContact ND1-C 3.33Å; H369-S392 PolarHBondContact ND1-OXT 3.43Å
370	L	98	Very high	98	Very high	95 Å²	95	90.5 Å²	90.5	50%	0.497	46%	0.457	S	S	.	.	S	Bend	trans	-71.6	-39.8	174.2	-70.2	179.8	0	0	0	112.8	A367 F377 V379	A367-L370 HydrophobicContact CB-CD1 4.49Å; A367-L370 WeakPolarHBondContact O-CG 3.18Å; L370-F377 HydrophobicContact CB-CZ 4.25Å; L370-F377 HydrophobicContact CD1-CE2 4.47Å; L370-F377 HydrophobicContact CD1-CZ 4.08Å; L370-V379 HydrophobicContact CD1-CG1 4.31Å; L370-V379 HydrophobicContact CD1-CG2 3.63Å
371	F	98.1	Very high	98	Very high	121 Å²	121	84.3 Å²	84.3	53%	0.531	43%	0.433	S	S	.	.	S	Bend	trans	-129.3	143.4	176.9	-62.5	-56.3	0	0	0	110.4	S374 F377 S392	F371-S374 WeakPolarHBondContact CB-OG 3.44Å; F371-F377 AromaticContact CD2-CE1 3.61Å; F371-F377 HydrophobicContact CD2-CE1 3.61Å; F371-F377 AromaticContact CD2-CZ 3.53Å; F371-F377 HydrophobicContact CD2-CZ 3.53Å; F371-F377 HydrophobicContact CE2-CE1 4.18Å; F371-F377 HydrophobicContact CE2-CE2 4.34Å; F371-F377 AromaticContact CE2-CZ 3.67Å; F371-F377 HydrophobicContact CE2-CZ 3.67Å; F371-S392 WeakPolarHBondContact O-CA 3.41Å; F371-S392 VanDerWaalsContact O-CB 3.31Å; F371-S392 WeakPolarHBondContact O-CB 3.34Å; F371-S392 PolarHBondContact O-OG 3.24Å
372	Y	96.9	Very high	98	Very high	186 Å²	186	88.7 Å²	88.7	73%	0.729	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	138.3	174.6	-175.8	-125.2	0	0	0	110.3	S374	Y372-S374 VanDerWaalsContact C-N 3.32Å; Y372-S374 PolarHBondContact O-N 3.13Å; Y372-S374 PolarHBondContact O-OG 3.47Å
373	H	95.6	Very high	98	Very high	148 Å²	148	88.9 Å²	88.9	69%	0.685	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	44.5	-178.9	-69.7	-56.7	0	0	0	115.1	S392	H373-S392 PolarHBondContact N-OG 3.36Å
374	S	96.8	Very high	97.9	Very high	45 Å²	45	90.5 Å²	90.5	32%	0.315	46%	0.46	S	S	.	.			trans	-115.6	143.1	176.4	-65.3	0	0	0	0	111	F371 Y372 S392	F371-S374 WeakPolarHBondContact CB-OG 3.44Å; Y372-S374 VanDerWaalsContact C-N 3.32Å; Y372-S374 PolarHBondContact O-N 3.13Å; Y372-S374 PolarHBondContact O-OG 3.47Å; S374-S392 PolarHBondContact N-OG 2.83Å; S374-S392 PolarHBondContact O-OG 3.28Å
375	P	98	Very high	97.9	Very high	109 Å²	109	93.9 Å²	93.9	71%	0.708	47%	0.468	S	S	*	.			trans	-57	148.6	171.2	-23.6	33.8	0	0	0	111.5
376	P	98.3	Very high	97.9	Very high	81 Å²	81	93.8 Å²	93.8	53%	0.526	47%	0.469	S	S	.	.			trans	-57.9	140.8	177.5	-25.7	34.6	0	0	0	113	S390 V391	P376-S390 WeakPolarHBondContact CA-O 3.32Å; P376-S390 WeakPolarHBondContact CB-O 3.47Å; P376-V391 HydrophobicContact CB-CG2 4.3Å; P376-V391 HydrophobicContact CG-CG2 4.36Å
377	F	98.5	Very high	97.9	Very high	74 Å²	74	94.2 Å²	94.2	33%	0.325	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	166	-180	66.8	-79.9	0	0	0	111.9	L370 F371 V379 S390	L370-F377 HydrophobicContact CB-CZ 4.25Å; L370-F377 HydrophobicContact CD1-CE2 4.47Å; L370-F377 HydrophobicContact CD1-CZ 4.08Å; F371-F377 AromaticContact CD2-CE1 3.61Å; F371-F377 HydrophobicContact CD2-CE1 3.61Å; F371-F377 AromaticContact CD2-CZ 3.53Å; F371-F377 HydrophobicContact CD2-CZ 3.53Å; F371-F377 HydrophobicContact CE2-CE1 4.18Å; F371-F377 HydrophobicContact CE2-CE2 4.34Å; F371-F377 AromaticContact CE2-CZ 3.67Å; F371-F377 HydrophobicContact CE2-CZ 3.67Å; F377-V379 HydrophobicContact CD2-CG2 4.05Å; F377-V379 HydrophobicContact CE2-CG2 3.55Å; F377-V379 HydrophobicContact CZ-CG2 4.17Å; F377-S390 PolarHBondContact N-O 3.02Å; F377-S390 PolarHBondContact O-N 3Å
378	G	98.2	Very high	97.9	Very high	53 Å²	53	96.3 Å²	96.3	55%	0.546	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.1	178.1	0	0	0	0	0	112.5
379	V	98.6	Very high	97.9	Very high	34 Å²	34	99.1 Å²	99.1	21%	0.206	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.1	178.3	-179.7	0	0	0	0	109.3	A367 L370 F377 G381 T387 Y388	A367-V379 HydrophobicContact CB-CB 3.89Å; A367-V379 HydrophobicContact CB-CG1 4.15Å; A367-V379 HydrophobicContact CB-CG2 3.94Å; L370-V379 HydrophobicContact CD1-CG1 4.31Å; L370-V379 HydrophobicContact CD1-CG2 3.63Å; F377-V379 HydrophobicContact CD2-CG2 4.05Å; F377-V379 HydrophobicContact CE2-CG2 3.55Å; F377-V379 HydrophobicContact CZ-CG2 4.17Å; V379-G381 PolarHBondContact O-N 2.89Å; V379-T387 CarbonylContact O-C 3.56Å; V379-T387 WeakPolarHBondContact O-CA 3Å; V379-Y388 PolarHBondContact N-O 3.35Å; V379-Y388 PolarHBondContact O-N 2.72Å
380	R	98.4	Very high	97.9	Very high	184 Å²	184	95 Å²	95	69%	0.694	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	130.8	177.8	-177.3	179.3	170.7	175.3	-3	110.6
381	G	98.2	Very high	97.9	Very high	21 Å²	21	92.5 Å²	92.5	22%	0.216	47%	0.466	C	S	.	.			trans	-84.6	-148.7	171.7	0	0	0	0	0	112.8	V379 N383 I386	V379-G381 PolarHBondContact O-N 2.89Å; G381-N383 PolarHBondContact O-N 3.25Å; G381-N383 VanDerWaalsContact O-N 3.15Å; G381-I386 PolarHBondContact N-O 3.21Å
382	T	97.9	Very high	97.8	Very high	127 Å²	127	89.5 Å²	89.5	78%	0.779	46%	0.459	S	S	*	.	S	Bend	trans	-64.6	-20.1	-177.3	56.1	0	0	0	0	113.8	I386	T382-I386 WeakPolarHBondContact OG1-CD1 3.49Å
383	N	98	Very high	97.8	Very high	52 Å²	52	84.7 Å²	84.7	28%	0.278	45%	0.446	S	S	.	.	S	Bend	trans	-144.8	174.7	174.1	63.7	54.1	0	0	0	110.3	G381 W385 I386	G381-N383 PolarHBondContact O-N 3.25Å; G381-N383 VanDerWaalsContact O-N 3.15Å; N383-W385 HydrophobicContact CB-CE3 4.06Å; N383-W385 HydrophobicContact CB-CZ3 4.43Å; N383-W385 PolarHBondContact O-N 2.94Å; N383-W385 WeakPolarHBondContact OD1-CB 3.08Å; N383-W385 PolarHBondContact OD1-N 2.73Å; N383-I386 PolarHBondContact O-N 3.38Å; N383-I386 PolarHBondContact OD1-N 2.98Å
384	K	97.3	Very high	98	Very high	141 Å²	141	81.3 Å²	81.3	61%	0.613	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	-175.5	68	178.1	-178.8	178.9	0	114.7
385	W	98.2	Very high	98	Very high	201 Å²	201	83.3 Å²	83.3	76%	0.761	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.4	-177.5	-59	-81.4	0	0	0	112.9	N383	N383-W385 HydrophobicContact CB-CE3 4.06Å; N383-W385 HydrophobicContact CB-CZ3 4.43Å; N383-W385 PolarHBondContact O-N 2.94Å; N383-W385 WeakPolarHBondContact OD1-CB 3.08Å; N383-W385 PolarHBondContact OD1-N 2.73Å
386	I	98.4	Very high	98	Very high	59 Å²	59	81.8 Å²	81.8	30%	0.303	42%	0.424	S	S	.	.			trans	-95.4	121	175.5	-62.1	170.2	0	0	0	108	G381 T382 N383 Y388	G381-I386 PolarHBondContact N-O 3.21Å; T382-I386 WeakPolarHBondContact OG1-CD1 3.49Å; N383-I386 PolarHBondContact O-N 3.38Å; N383-I386 PolarHBondContact OD1-N 2.98Å; I386-Y388 HydrophobicContact CG2-CD2 4.34Å; I386-Y388 HydrophobicContact CG2-CE2 3.66Å
387	T	98.2	Very high	98	Very high	94 Å²	94	81.9 Å²	81.9	58%	0.577	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.8	175.9	-57.1	0	0	0	0	109.7	V379	V379-T387 CarbonylContact O-C 3.56Å; V379-T387 WeakPolarHBondContact O-CA 3Å
388	Y	98.4	Very high	98	Very high	48 Å²	48	82.4 Å²	82.4	19%	0.188	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.3	171.7	-62.7	-78.9	0	0	0	109.9	L363 L366 V379 I386	L363-Y388 HydrophobicContact CD1-CE1 4.18Å; L363-Y388 HydrophobicContact CG-CE1 4.13Å; L366-Y388 HydrophobicContact CB-CD1 4.13Å; L366-Y388 HydrophobicContact CB-CE1 4.27Å; L366-Y388 HydrophobicContact CD1-CE1 4.27Å; L366-Y388 HydrophobicContact CD1-CE2 4.33Å; L366-Y388 HydrophobicContact CD2-CD2 4.1Å; L366-Y388 HydrophobicContact CD2-CE2 4.26Å; L366-Y388 HydrophobicContact CD2-CG 4.32Å; V379-Y388 PolarHBondContact N-O 3.35Å; V379-Y388 PolarHBondContact O-N 2.72Å; I386-Y388 HydrophobicContact CG2-CD2 4.34Å; I386-Y388 HydrophobicContact CG2-CE2 3.66Å
389	K	98.3	Very high	98	Very high	120 Å²	120	84.5 Å²	84.5	52%	0.522	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.8	170.8	-172.1	178.4	-179.9	-179.8	0	108.8	Y368 V391	Y368-K389 WeakPolarHBondContact CD1-O 3.47Å; Y368-K389 HydrophobicContact CE1-CB 4.44Å; Y368-K389 VanDerWaalsContact CE1-O 3.25Å; Y368-K389 WeakPolarHBondContact CE1-O 3.17Å; K389-V391 HydrophobicContact CD-CG2 4.11Å; K389-V391 HydrophobicContact CG-CG2 4.06Å
390	S	98.4	Very high	97.9	Very high	1 Å²	1	88.4 Å²	88.4	1%	0.007	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.7	166.6	-166.9	0	0	0	0	109.5	A367 P376 F377	A367-S390 WeakPolarHBondContact O-CA 3.44Å; A367-S390 WeakPolarHBondContact O-CB 3.43Å; A367-S390 PolarHBondContact O-OG 3.42Å; P376-S390 WeakPolarHBondContact CA-O 3.32Å; P376-S390 WeakPolarHBondContact CB-O 3.47Å; F377-S390 PolarHBondContact N-O 3.02Å; F377-S390 PolarHBondContact O-N 3Å
391	V	98.2	Very high	97.9	Very high	44 Å²	44	80.4 Å²	80.4	27%	0.267	41%	0.409	S	S	.	.			trans	-129.9	139.2	173.6	-175.9	0	0	0	0	107.3	Y368 H369 P376 K389	Y368-V391 HydrophobicContact CD2-CB 4.37Å; Y368-V391 HydrophobicContact CE1-CG2 4.15Å; Y368-V391 HydrophobicContact CE2-CB 4.34Å; Y368-V391 HydrophobicContact CE2-CG2 4.39Å; Y368-V391 HydrophobicContact CG-CB 4.5Å; H369-V391 PolarHBondContact N-O 2.99Å; P376-V391 HydrophobicContact CB-CG2 4.3Å; P376-V391 HydrophobicContact CG-CG2 4.36Å; K389-V391 HydrophobicContact CD-CG2 4.11Å; K389-V391 HydrophobicContact CG-CG2 4.06Å
392	S	94.9	Very high	97.8	Very high	57 Å²	57	85.8 Å²	85.8	40%	0.399	43%	0.427	S	S	.	.			trans	-56.8	0	177.6	-71.9	0	0	0	0	114.1	H369 F371 H373 S374	H369-S392 VanDerWaalsContact ND1-C 3.33Å; H369-S392 PolarHBondContact ND1-OXT 3.43Å; F371-S392 WeakPolarHBondContact O-CA 3.41Å; F371-S392 VanDerWaalsContact O-CB 3.31Å; F371-S392 WeakPolarHBondContact O-CB 3.34Å; F371-S392 PolarHBondContact O-OG 3.24Å; H373-S392 PolarHBondContact N-OG 3.36Å; S374-S392 PolarHBondContact N-OG 2.83Å; S374-S392 PolarHBondContact O-OG 3.28Å

Retrieved 392 of 392 residues in 87.7 ms (Link to these results)

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