A0A077Z6S5_TRITR Loading...

Peptidase C13 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6S5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.9	Very low	48.8	Very low	245 Å²	245	147.5 Å²	147.5	100%	1.207	86%	0.855	S	S	*	*				0	132.3	0	-77.2	164.4	105.6	0	0	107.9
2	N	43.1	Very low	48.8	Very low	168 Å²	168	150.8 Å²	150.8	90%	0.898	85%	0.852	S	S	*	*			trans	-38	138.8	-169.8	-58.6	-24.4	0	0	0	117.7
3	S	46.8	Very low	48.8	Very low	122 Å²	122	147.4 Å²	147.4	85%	0.853	84%	0.844	S	S	*	*				179.7	104.2	128.9	174	0	0	0	0	109.7
4	A	47.8	Very low	49.1	Very low	107 Å²	107	147 Å²	147	88%	0.884	84%	0.835	S	S	*	*			trans	-83.1	132.9	171.5	0	0	0	0	0	110.3
5	G	57.6	Low	49.3	Very low	62 Å²	62	145.1 Å²	145.1	64%	0.639	83%	0.828	S	S	*	*			trans	-114.1	151.1	167.6	0	0	0	0	0	110.4
6	P	54.3	Low	49.2	Very low	128 Å²	128	146.1 Å²	146.1	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.3	138.7	-157.1	31.9	-33.4	0	0	0	113.1
7	V	53.3	Low	49.6	Very low	137 Å²	137	144.7 Å²	144.7	83%	0.83	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.8	123.5	171.1	176.4	0	0	0	0	108.9	L9	V7-L9 PolarHBondContact O-N 3.42Å
8	F	49.8	Very low	49.8	Very low	204 Å²	204	140.9 Å²	140.9	90%	0.895	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-64.1	121.1	173.8	-100.6	-97.6	0	0	0	110.9	S10	F8-S10 PolarHBondContact O-N 3.22Å
9	L	45.6	Very low	49.9	Very low	158 Å²	158	139.8 Å²	139.8	83%	0.827	81%	0.811	S	S	*	*			trans	-79.2	105.7	167.1	-95.9	133.9	0	0	0	109.3	V7	V7-L9 PolarHBondContact O-N 3.42Å
10	S	45.3	Very low	49.9	Very low	99 Å²	99	137 Å²	137	69%	0.692	80%	0.799	S	S	*	*			trans	-79.7	112.6	166.2	164.6	0	0	0	0	109.2	F8 F12	F8-S10 PolarHBondContact O-N 3.22Å; S10-F12 PolarHBondContact O-N 3.39Å
11	F	49.8	Very low	49.7	Very low	192 Å²	192	135.6 Å²	135.6	84%	0.842	80%	0.798	S	S	*	*			trans	-65.8	111.3	172	-88.5	-93.7	0	0	0	110.4	S13	F11-S13 PolarHBondContact O-N 3.33Å
12	F	48.8	Very low	49.9	Very low	188 Å²	188	133.5 Å²	133.5	83%	0.825	78%	0.778	S	S	*	*			trans	-70.9	107.5	163.8	-107.2	-92.3	0	0	0	108.6	S10 I14	S10-F12 PolarHBondContact O-N 3.39Å; F12-I14 PolarHBondContact O-N 3.26Å
13	S	49	Very low	49.7	Very low	106 Å²	106	129 Å²	129	74%	0.741	77%	0.771	S	S	*	*			trans	-80.5	101.4	164.4	-68	0	0	0	0	108.2	F11 V15	F11-S13 PolarHBondContact O-N 3.33Å; S13-V15 PolarHBondContact O-N 3.17Å
14	I	52.5	Low	49.5	Very low	142 Å²	142	128.6 Å²	128.6	73%	0.728	76%	0.763	S	S	*	*			trans	-73	102.4	167.1	-66.2	173.4	0	0	0	106.7	F12 L16	F12-I14 PolarHBondContact O-N 3.26Å; I14-L16 HydrophobicContact CG2-CG 4.46Å; I14-L16 PolarHBondContact O-N 3.2Å
15	V	53.4	Low	49.2	Very low	119 Å²	119	131.1 Å²	131.1	72%	0.721	76%	0.761	S	S	*	*			trans	-76.2	99.6	165.4	179	0	0	0	0	106.9	S13 V17	S13-V15 PolarHBondContact O-N 3.17Å; V15-V17 VanDerWaalsContact C-N 3.34Å; V15-V17 HydrophobicContact CG1-CG2 4.13Å; V15-V17 PolarHBondContact O-N 3.11Å
16	L	47.2	Very low	48.3	Very low	161 Å²	161	135.6 Å²	135.6	84%	0.843	77%	0.77	S	S	*	*			trans	-65.4	96.9	163.2	-93.7	151.2	0	0	0	107.7	I14 A18	I14-L16 HydrophobicContact CG2-CG 4.46Å; I14-L16 PolarHBondContact O-N 3.2Å; L16-A18 PolarHBondContact O-N 3.01Å; L16-A18 VanDerWaalsContact O-N 3.11Å
17	V	55.5	Low	47.6	Very low	122 Å²	122	138.1 Å²	138.1	74%	0.739	77%	0.77	S	S	*	*			trans	-70.5	101.4	166	179.8	0	0	0	0	106.5	V15	V15-V17 VanDerWaalsContact C-N 3.34Å; V15-V17 HydrophobicContact CG1-CG2 4.13Å; V15-V17 PolarHBondContact O-N 3.11Å
18	A	53.3	Low	46.9	Very low	77 Å²	77	137.2 Å²	137.2	64%	0.636	77%	0.77	S	S	*	*			trans	-58.9	131.1	167.4	0	0	0	0	0	108.1	L16 S20	L16-A18 PolarHBondContact O-N 3.01Å; L16-A18 VanDerWaalsContact O-N 3.11Å; A18-S20 PolarHBondContact O-N 2.98Å
19	P	51.5	Low	46.3	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	76%	0.759	S	S	*	*			trans	-62.2	114.1	172.7	25.8	-30.4	0	0	0	106.9	S21	P19-S21 PolarHBondContact O-N 3.23Å
20	S	49.6	Very low	46.2	Very low	83 Å²	83	129.8 Å²	129.8	58%	0.58	75%	0.75	S	S	*	*			trans	-59.1	124.1	176.5	51.3	0	0	0	0	108.5	A18 Y22	A18-S20 PolarHBondContact O-N 2.98Å; S20-Y22 VanDerWaalsContact CB-CE2 3.48Å; S20-Y22 PolarHBondContact O-N 3.34Å; S20-Y22 WeakPolarHBondContact OG-CD2 3.39Å
21	S	46.1	Very low	46.4	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	76%	0.756	S	S	*	*			trans	-75	44.6	-173.1	-37.1	0	0	0	0	112.4	P19 G23	P19-S21 PolarHBondContact O-N 3.23Å; S21-G23 PolarHBondContact O-N 2.8Å
22	Y	46.9	Very low	46.8	Very low	201 Å²	201	130.1 Å²	130.1	79%	0.788	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	8.1	177.9	-67.5	-67.2	0	0	0	113.3	S20	S20-Y22 VanDerWaalsContact CB-CE2 3.48Å; S20-Y22 PolarHBondContact O-N 3.34Å; S20-Y22 WeakPolarHBondContact OG-CD2 3.39Å
23	G	40.2	Very low	47.8	Very low	73 Å²	73	124.1 Å²	124.1	75%	0.753	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-6.7	-172.6	0	0	0	0	0	117.2	S21	S21-G23 PolarHBondContact O-N 2.8Å
24	T	42.2	Very low	49.5	Very low	114 Å²	114	122.5 Å²	122.5	70%	0.699	72%	0.72	S	S	*	*	S	Bend	trans	-120	7.2	-167.6	30.6	0	0	0	0	116.2
25	L	40.6	Very low	51.4	Low	160 Å²	160	116 Å²	116	84%	0.838	69%	0.687	S	S	*	*	S	Bend	trans	-97.7	-0.8	179.6	-132.4	94	0	0	0	115.8
26	L	40	Very low	53.3	Low	156 Å²	156	113.3 Å²	113.3	82%	0.817	67%	0.67	S	S	*	*	S	Bend	trans	-109.5	4.8	-174.8	-70.7	176.3	0	0	0	115.2
27	Q	38.1	Very low	55.6	Low	180 Å²	180	107.2 Å²	107.2	84%	0.841	64%	0.638	S	S	*	*	S	Bend	trans	-93	-5.2	-173.7	-133.4	170.3	13.3	0	0	114.8
28	S	38.6	Very low	57.6	Low	119 Å²	119	101.4 Å²	101.4	83%	0.832	60%	0.603	S	S	*	*	S	Bend	trans	-103.4	12.9	-170.9	65.7	0	0	0	0	115.8
29	G	37.4	Very low	59.8	Low	65 Å²	65	98.6 Å²	98.6	67%	0.67	58%	0.576	S	S	*	*	S	Bend	trans	-124.5	-11.5	-173.9	0	0	0	0	0	117.1
30	F	43.8	Very low	62	Low	141 Å²	141	93 Å²	93	62%	0.618	54%	0.54	S	S	*	.			trans	-117.2	93.5	-171.4	-76	-86.3	0	0	0	111.2	F305	F30-F305 HydrophobicContact CZ-CE2 4.44Å
31	H	50.1	Low	64.4	Low	178 Å²	178	89 Å²	89	82%	0.824	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-85.5	123.3	160.4	-78.8	46.6	0	0	0	107.8	S33	H31-S33 PolarHBondContact O-N 3.16Å
32	P	57.3	Low	66.9	Low	120 Å²	120	83.8 Å²	83.8	78%	0.779	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-55.5	129.3	172.2	21.1	-29.2	0	0	0	108.7	T34	P32-T34 PolarHBondContact O-N 3.25Å
33	S	70.7	Confident	69.3	Low	62 Å²	62	74.2 Å²	74.2	43%	0.434	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-55.4	135.1	177.4	-176.8	0	0	0	0	109.6	H31 H35 V300	H31-S33 PolarHBondContact O-N 3.16Å; S33-H35 VanDerWaalsContact CB-O 3.31Å; S33-H35 WeakPolarHBondContact CB-O 3.39Å; S33-H35 PolarHBondContact O-N 3.14Å; S33-H35 PolarHBondContact OG-O 3.04Å; S33-V300 WeakPolarHBondContact OG-CG1 3.43Å
34	T	84.5	Confident	72.1	Confident	72 Å²	72	70.8 Å²	70.8	44%	0.442	40%	0.402	S	S	.	.	S	Bend	trans	-70.7	-17.5	179.7	59	0	0	0	0	112.9	P32 H190	P32-T34 PolarHBondContact O-N 3.25Å; T34-H190 PolarHBondContact O-CE1 3.1Å; T34-H190 PolarHBondContact O-NE2 2.97Å
35	H	92.7	Very high	74.8	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.028	37%	0.369	C	S	.	.	S	Bend	trans	-138	160.2	-176.5	62.3	-72.8	0	0	0	109.8	S33 N38 R147 N149 H190 D295 V300	S33-H35 VanDerWaalsContact CB-O 3.31Å; S33-H35 WeakPolarHBondContact CB-O 3.39Å; S33-H35 PolarHBondContact O-N 3.14Å; S33-H35 PolarHBondContact OG-O 3.04Å; H35-N38 PolarHBondContact CD2-OD1 3.47Å; H35-N38 PolarHBondContact NE2-OD1 3.29Å; H35-R147 CarbonylContact C-O 3.58Å; H35-R147 VanDerWaalsContact CA-O 3.3Å; H35-R147 WeakPolarHBondContact CA-O 3.06Å; H35-R147 WeakPolarHBondContact CB-O 3.45Å; H35-N149 PolarHBondContact CE1-ND2 3.26Å; H35-N149 PolarHBondContact ND1-ND2 3.39Å; H35-H190 HydrophobicContact CB-CB 4.42Å; H35-D295 IonicContact CE1-OD1 3.68Å; H35-D295 PolarHBondContact NE2-O 2.99Å; H35-V300 WeakPolarHBondContact CD2-CG2 3.28Å; H35-V300 WeakPolarHBondContact NE2-CG2 3.38Å
36	T	93.3	Very high	77.5	Confident	62 Å²	62	57.8 Å²	57.8	38%	0.38	33%	0.33	S	S	.	.	S	Bend	trans	-101.6	-24.3	-172.3	55.6	0	0	0	0	114	R147	T36-R147 HydrophobicContact CG2-CB 3.88Å; T36-R147 HydrophobicContact CG2-CG 4.48Å; T36-R147 PolarHBondContact N-O 3.47Å; T36-R147 WeakPolarHBondContact OG1-CB 3.31Å; T36-R147 PolarHBondContact OG1-O 2.84Å
37	N	95.9	Very high	80.1	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.171	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	165.4	179.7	59.1	66	0	0	0	110.8	W39 S148 N149	N37-W39 PolarHBondContact OD1-NE1 3.25Å; N37-S148 WeakPolarHBondContact O-CA 3.39Å; N37-S148 VanDerWaalsContact OD1-CB 3.26Å; N37-S148 WeakPolarHBondContact OD1-CB 3.11Å; N37-S148 PolarHBondContact OD1-OG 3.35Å; N37-N149 PolarHBondContact O-N 2.85Å
38	N	97.5	Very high	82.8	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.6	177	-71.8	-10	0	0	0	109.6	H35 V70 Q74 N149 T294 D295 G298	H35-N38 PolarHBondContact CD2-OD1 3.47Å; H35-N38 PolarHBondContact NE2-OD1 3.29Å; N38-V70 HydrophobicContact CB-CG2 4.31Å; N38-Q74 PolarHBondContact O-OE1 3.18Å; N38-N149 CarbonylContact C-O 3.49Å; N38-N149 WeakPolarHBondContact CA-O 3.26Å; N38-N149 WeakPolarHBondContact OD1-CB 3.42Å; N38-T294 PolarHBondContact ND2-O 3.12Å; N38-T294 VanDerWaalsContact ND2-O 3.14Å; N38-D295 VanDerWaalsContact ND2-C 3.33Å; N38-D295 PolarHBondContact ND2-O 3.05Å; N38-D295 VanDerWaalsContact ND2-O 3.11Å; N38-D295 PolarHBondContact OD1-O 3.44Å; N38-G298 PolarHBondContact ND2-O 2.68Å
39	W	98.4	Very high	85.5	Confident	17 Å²	17	43.9 Å²	43.9	6%	0.064	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146	172.1	-72.3	76.9	0	0	0	110	N37 N73 Q74 R141 L142 L143 N149 V150 L151	N37-W39 PolarHBondContact OD1-NE1 3.25Å; W39-N73 VanDerWaalsContact CH2-O 3.25Å; W39-N73 WeakPolarHBondContact CH2-O 3.49Å; W39-N73 VanDerWaalsContact CZ3-O 3.26Å; W39-N73 WeakPolarHBondContact CZ3-O 3.33Å; W39-Q74 CarbonylContact C-O 3.54Å; W39-Q74 VanDerWaalsContact CA-O 3.32Å; W39-Q74 WeakPolarHBondContact CA-O 3.14Å; W39-Q74 HydrophobicContact CD2-CB 4.17Å; W39-Q74 HydrophobicContact CD2-CG 4.21Å; W39-Q74 HydrophobicContact CE3-CB 4.17Å; W39-Q74 HydrophobicContact CE3-CG 4.43Å; W39-Q74 HydrophobicContact CH2-CG 4.24Å; W39-Q74 HydrophobicContact CZ2-CG 4.03Å; W39-Q74 HydrophobicContact CZ3-CB 4.47Å; W39-Q74 HydrophobicContact CZ3-CG 4.46Å; W39-R141 WeakPolarHBondContact CZ3-O 3.26Å; W39-L142 HydrophobicContact CB-CD1 3.65Å; W39-L142 HydrophobicContact CD2-CD1 3.87Å; W39-L142 HydrophobicContact CE3-CD1 3.66Å; W39-L142 HydrophobicContact CG-CD1 3.89Å; W39-L143 HydrophobicContact CH2-CB 3.62Å; W39-L143 HydrophobicContact CH2-CG 4.29Å; W39-L143 HydrophobicContact CZ2-CB 3.72Å; W39-L143 HydrophobicContact CZ3-CB 4.5Å; W39-N149 PolarHBondContact N-O 3.44Å; W39-V150 HydrophobicContact CB-CG2 4.38Å; W39-V150 WeakPolarHBondContact O-CA 3.15Å; W39-L151 PolarHBondContact O-N 2.92Å
40	A	98.6	Very high	88.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.2	172.8	0	0	0	0	0	110.4	L42 V65 Q74 I75 I76 L151	A40-L42 HydrophobicContact CB-CD2 4.08Å; A40-L42 HydrophobicContact CB-CG 4.2Å; A40-V65 HydrophobicContact CB-CG1 4.44Å; A40-V65 HydrophobicContact CB-CG2 4.42Å; A40-Q74 PolarHBondContact N-O 2.68Å; A40-I75 HydrophobicContact CB-CG1 4.31Å; A40-I75 HydrophobicContact CB-CG2 4.25Å; A40-I75 CarbonylContact O-C 3.58Å; A40-I75 WeakPolarHBondContact O-CA 3.4Å; A40-I76 PolarHBondContact O-N 2.83Å; A40-L151 CarbonylContact C-O 3.4Å; A40-L151 WeakPolarHBondContact CA-O 3.47Å; A40-L151 HydrophobicContact CB-CB 4.49Å; A40-L151 HydrophobicContact CB-CD2 4.47Å
41	L	98.8	Very high	90.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.7	166.6	172.4	61	0	0	0	107.7	V43 I76 M78 F124 V127 L128 L151 I152 Y153	L41-V43 HydrophobicContact CD1-CG2 3.83Å; L41-V43 HydrophobicContact CD2-CG2 4.46Å; L41-V43 HydrophobicContact CG-CG2 3.81Å; L41-I76 WeakPolarHBondContact CA-O 3.37Å; L41-I76 HydrophobicContact CD1-CB 3.73Å; L41-I76 HydrophobicContact CD1-CG2 3.62Å; L41-M78 HydrophobicContact CD1-CE 3.98Å; L41-M78 HydrophobicContact CD1-CG 4.31Å; L41-M78 HydrophobicContact CD1-SD 4.27Å; L41-F124 HydrophobicContact CD2-CD2 4.14Å; L41-F124 HydrophobicContact CD2-CE2 3.78Å; L41-V127 HydrophobicContact CD1-CG1 4.15Å; L41-V127 HydrophobicContact CD2-CG1 4.23Å; L41-L128 HydrophobicContact CD2-CD2 3.48Å; L41-L128 VanDerWaalsContact CD2-CD2 3.48Å; L41-L128 HydrophobicContact CD2-CG 4.06Å; L41-L151 PolarHBondContact N-O 2.91Å; L41-I152 HydrophobicContact CB-CG1 4.45Å; L41-I152 CarbonylContact O-C 3.5Å; L41-I152 WeakPolarHBondContact O-CA 3.43Å; L41-Y153 PolarHBondContact O-N 3.33Å
42	L	98.8	Very high	92.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.2	-171.8	-48.7	178.6	0	0	0	108.9	A40 V58 M61 Y62 V65 I75 I76 L77 M78 L151 Y153	A40-L42 HydrophobicContact CB-CD2 4.08Å; A40-L42 HydrophobicContact CB-CG 4.2Å; L42-V58 HydrophobicContact CB-CG1 3.61Å; L42-M61 HydrophobicContact CD1-CB 4.37Å; L42-M61 HydrophobicContact CD2-CB 4.28Å; L42-Y62 VanDerWaalsContact CD1-CA 3.44Å; L42-Y62 HydrophobicContact CD1-CD2 4.3Å; L42-V65 HydrophobicContact CD1-CG2 4.21Å; L42-I75 HydrophobicContact CD1-CG2 3.82Å; L42-I75 HydrophobicContact CG-CG2 4.25Å; L42-I76 PolarHBondContact N-O 2.7Å; L42-L77 HydrophobicContact CB-CD1 4.16Å; L42-M78 PolarHBondContact O-N 3.07Å; L42-L151 HydrophobicContact CD2-CD2 4.44Å; L42-Y153 HydrophobicContact CD2-CG 4.47Å
43	V	98.8	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.6	-166.1	-169.8	0	0	0	0	111.6	L41 T45 M78 V119 F124 Y153 L154 T155 F165	L41-V43 HydrophobicContact CD1-CG2 3.83Å; L41-V43 HydrophobicContact CD2-CG2 4.46Å; L41-V43 HydrophobicContact CG-CG2 3.81Å; V43-T45 HydrophobicContact CG1-CG2 3.77Å; V43-M78 HydrophobicContact CB-CB 4.39Å; V43-M78 HydrophobicContact CG1-CB 4.02Å; V43-M78 HydrophobicContact CG1-SD 4.18Å; V43-M78 HydrophobicContact CG2-CB 4.32Å; V43-M78 HydrophobicContact CG2-CG 4.25Å; V43-M78 HydrophobicContact CG2-SD 4.01Å; V43-V119 HydrophobicContact CG1-CG1 4.33Å; V43-F124 HydrophobicContact CG2-CD2 3.99Å; V43-F124 HydrophobicContact CG2-CE2 3.93Å; V43-Y153 PolarHBondContact N-O 2.73Å; V43-L154 HydrophobicContact CB-CD2 3.78Å; V43-L154 HydrophobicContact CG2-CD2 3.81Å; V43-T155 PolarHBondContact O-N 2.9Å; V43-F165 HydrophobicContact CG1-CE1 4.22Å; V43-F165 HydrophobicContact CG1-CZ 4.13Å
44	C	98.5	Very high	96.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.8	167.6	169.3	0	0	0	0	107.3	H54 V55 V58 M78 L79 A80	C44-H54 VanDerWaalsContact SG-C 3.55Å; C44-V55 VanDerWaalsContact SG-CG2 3.57Å; C44-V58 HydrophobicContact CB-CB 4.24Å; C44-V58 HydrophobicContact CB-CG2 3.55Å; C44-M78 PolarHBondContact N-O 2.88Å; C44-L79 HydrophobicContact CB-CD2 4.08Å; C44-A80 WeakPolarHBondContact O-CB 3.42Å; C44-A80 PolarHBondContact O-N 3.24Å; C44-A80 VanDerWaalsContact O-N 3.1Å
45	T	98.1	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.			trans	-96.1	-10.1	-173.9	69.6	0	0	0	0	113.7	V43 T155 G156 L163 K164 F165 Q166	V43-T45 HydrophobicContact CG1-CG2 3.77Å; T45-T155 PolarHBondContact N-O 2.8Å; T45-T155 PolarHBondContact OG1-O 2.85Å; T45-G156 WeakPolarHBondContact OG1-CA 3.26Å; T45-L163 HydrophobicContact CG2-CD2 3.73Å; T45-L163 HydrophobicContact CG2-CG 4.3Å; T45-K164 WeakPolarHBondContact CB-O 3.13Å; T45-K164 PolarHBondContact OG1-O 3.44Å; T45-F165 HydrophobicContact CG2-CD1 4.24Å; T45-F165 HydrophobicContact CG2-CD2 3.81Å; T45-F165 HydrophobicContact CG2-CE1 3.94Å; T45-F165 HydrophobicContact CG2-CE2 3.44Å; T45-F165 VanDerWaalsContact CG2-CE2 3.44Å; T45-F165 HydrophobicContact CG2-CG 4.19Å; T45-F165 HydrophobicContact CG2-CZ 3.53Å; T45-Q166 PolarHBondContact O-N 2.85Å
46	S	97.6	Very high	96.9	Very high	1 Å²	1	20 Å²	20	1%	0.007	9%	0.092	C	C	.	.			trans	-97.8	151.8	-174.7	-54.4	0	0	0	0	114.1	H54 A80 G156 H157	S46-H54 WeakPolarHBondContact CB-ND1 3.28Å; S46-H54 PolarHBondContact OG-CE1 2.98Å; S46-H54 PolarHBondContact OG-ND1 2.93Å; S46-A80 WeakPolarHBondContact O-CB 3.33Å; S46-G156 VanDerWaalsContact OG-CA 3.3Å; S46-G156 WeakPolarHBondContact OG-CA 2.94Å; S46-H157 PolarHBondContact OG-N 3.05Å
47	R	94.5	Very high	97.1	Very high	38 Å²	38	17 Å²	17	14%	0.143	7%	0.074	C	C	.	.			trans	-118.8	174.1	176.6	-60.1	-167.4	72.4	160.3	3.2	112.4	N51 A80 D81 Y117 Q166	R47-N51 WeakPolarHBondContact O-CB 3.19Å; R47-N51 PolarHBondContact O-ND2 3.32Å; R47-A80 VanDerWaalsContact CD-O 3.27Å; R47-A80 WeakPolarHBondContact CD-O 3.12Å; R47-A80 HydrophobicContact CG-CB 3.87Å; R47-A80 VanDerWaalsContact CG-O 3.31Å; R47-A80 WeakPolarHBondContact CG-O 3.42Å; R47-A80 PolarHBondContact NE-O 3.17Å; R47-D81 HydrophobicContact CB-CB 4.11Å; R47-D81 HydrophobicContact CG-CB 4.08Å; R47-Y117 VanDerWaalsContact NH1-CD1 3.27Å; R47-Q166 HydrophobicContact CG-CB 3.97Å; R47-Q166 HydrophobicContact CG-CG 3.99Å
48	F	94.7	Very high	97.2	Very high	105 Å²	105	15.5 Å²	15.5	46%	0.461	7%	0.066	S	C	.	.	S	Bend	trans	75.3	152.5	179.1	-45.6	-63.2	0	0	0	114.5	F50 N51 D81 M83 D167	F48-F50 VanDerWaalsContact C-N 3.25Å; F48-F50 HydrophobicContact CB-CD1 3.67Å; F48-F50 HydrophobicContact CB-CE1 3.38Å; F48-F50 HydrophobicContact CB-CZ 4.25Å; F48-F50 AromaticContact CD2-CE1 3.71Å; F48-F50 HydrophobicContact CD2-CE1 3.71Å; F48-F50 HydrophobicContact CD2-CZ 4.03Å; F48-F50 AromaticContact CG-CE1 3.9Å; F48-F50 HydrophobicContact CG-CE1 3.9Å; F48-F50 PolarHBondContact O-N 3.04Å; F48-F50 VanDerWaalsContact O-N 3.12Å; F48-N51 PolarHBondContact O-N 3.19Å; F48-D81 WeakPolarHBondContact CA-OD2 3.27Å; F48-D81 PolarHBondContact N-OD2 3.35Å; F48-M83 VanDerWaalsContact O-CE 3.29Å; F48-M83 WeakPolarHBondContact O-CE 3.39Å; F48-D167 WeakPolarHBondContact CE2-OD2 3.48Å
49	W	95.5	Very high	97.2	Very high	21 Å²	21	15.5 Å²	15.5	8%	0.08	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-55	-36.1	-172.1	-174.7	-112.4	0	0	0	114.4	N51 Y52 M83 N86 R88 N89 L234 V236	W49-N51 PolarHBondContact O-N 3.4Å; W49-N51 VanDerWaalsContact O-N 3.15Å; W49-Y52 HydrophobicContact CE3-CD2 4.23Å; W49-Y52 AromaticContact CH2-CD2 3.71Å; W49-Y52 HydrophobicContact CH2-CD2 3.71Å; W49-Y52 AromaticContact CH2-CE2 3.83Å; W49-Y52 HydrophobicContact CH2-CE2 3.83Å; W49-Y52 HydrophobicContact CZ2-CD2 4.34Å; W49-Y52 AromaticContact CZ3-CD2 3.65Å; W49-Y52 HydrophobicContact CZ3-CD2 3.65Å; W49-Y52 HydrophobicContact CZ3-CE2 4.02Å; W49-Y52 WeakPolarHBondContact O-CB 3.25Å; W49-Y52 PolarHBondContact O-N 3.48Å; W49-Y52 VanDerWaalsContact O-N 3.1Å; W49-M83 HydrophobicContact CE3-SD 3.78Å; W49-M83 HydrophobicContact CZ3-SD 4.13Å; W49-N86 HydrophobicContact CE3-CB 3.69Å; W49-N86 HydrophobicContact CZ3-CB 3.79Å; W49-R88 HydrophobicContact CD2-CB 3.7Å; W49-R88 HydrophobicContact CE3-CB 4.22Å; W49-R88 HydrophobicContact CG-CB 3.89Å; W49-R88 HydrophobicContact CG-CG 4.37Å; W49-R88 HydrophobicContact CZ2-CB 4.22Å; W49-N89 VanDerWaalsContact CH2-CA 3.47Å; W49-N89 HydrophobicContact CH2-CB 3.61Å; W49-N89 HydrophobicContact CZ3-CB 3.8Å; W49-L234 HydrophobicContact CH2-CD2 4Å; W49-L234 HydrophobicContact CZ2-CB 3.96Å; W49-L234 HydrophobicContact CZ2-CD2 3.81Å; W49-L234 HydrophobicContact CZ2-CG 4.38Å; W49-L234 PolarHBondContact NE1-O 3.03Å; W49-V236 HydrophobicContact CG-CG1 4.46Å
50	F	94.5	Very high	97.1	Very high	111 Å²	111	14.8 Å²	14.8	49%	0.487	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-66.1	-16.1	179.8	67.7	-92.6	0	0	0	113.3	F48 R53	F48-F50 VanDerWaalsContact C-N 3.25Å; F48-F50 HydrophobicContact CB-CD1 3.67Å; F48-F50 HydrophobicContact CB-CE1 3.38Å; F48-F50 HydrophobicContact CB-CZ 4.25Å; F48-F50 AromaticContact CD2-CE1 3.71Å; F48-F50 HydrophobicContact CD2-CE1 3.71Å; F48-F50 HydrophobicContact CD2-CZ 4.03Å; F48-F50 AromaticContact CG-CE1 3.9Å; F48-F50 HydrophobicContact CG-CE1 3.9Å; F48-F50 PolarHBondContact O-N 3.04Å; F48-F50 VanDerWaalsContact O-N 3.12Å; F50-R53 PolarHBondContact O-NH1 3.29Å
51	N	96.5	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-99.7	19.6	176	-67.8	-37	0	0	0	113.4	R47 F48 W49 R53 H54 H157	R47-N51 WeakPolarHBondContact O-CB 3.19Å; R47-N51 PolarHBondContact O-ND2 3.32Å; F48-N51 PolarHBondContact O-N 3.19Å; W49-N51 PolarHBondContact O-N 3.4Å; W49-N51 VanDerWaalsContact O-N 3.15Å; N51-R53 PolarHBondContact O-N 2.77Å; N51-R53 PolarHBondContact OD1-NH1 3.19Å; N51-R53 PolarHBondContact OD1-NH2 3.44Å; N51-H54 PolarHBondContact O-N 2.64Å; N51-H157 PolarHBondContact OD1-NE2 2.91Å
52	Y	96.8	Very high	97	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-43	-43.5	175.5	-176.8	-77.9	0	0	0	113.4	W49 H54 V55 A56 M83 V95 Y96 L234 V236 I238	W49-Y52 HydrophobicContact CE3-CD2 4.23Å; W49-Y52 AromaticContact CH2-CD2 3.71Å; W49-Y52 HydrophobicContact CH2-CD2 3.71Å; W49-Y52 AromaticContact CH2-CE2 3.83Å; W49-Y52 HydrophobicContact CH2-CE2 3.83Å; W49-Y52 HydrophobicContact CZ2-CD2 4.34Å; W49-Y52 AromaticContact CZ3-CD2 3.65Å; W49-Y52 HydrophobicContact CZ3-CD2 3.65Å; W49-Y52 HydrophobicContact CZ3-CE2 4.02Å; W49-Y52 WeakPolarHBondContact O-CB 3.25Å; W49-Y52 PolarHBondContact O-N 3.48Å; W49-Y52 VanDerWaalsContact O-N 3.1Å; Y52-H54 VanDerWaalsContact C-N 3.29Å; Y52-H54 PolarHBondContact O-N 3.16Å; Y52-V55 PolarHBondContact O-N 3.2Å; Y52-A56 HydrophobicContact CD1-CB 4.3Å; Y52-A56 HydrophobicContact CE1-CB 4.16Å; Y52-A56 PolarHBondContact O-N 3.06Å; Y52-M83 HydrophobicContact CD2-CB 3.92Å; Y52-M83 HydrophobicContact CD2-CG 3.92Å; Y52-M83 HydrophobicContact CD2-SD 4.05Å; Y52-M83 HydrophobicContact CE2-CB 4.08Å; Y52-M83 HydrophobicContact CG-CG 4.36Å; Y52-M83 HydrophobicContact CG-SD 4.49Å; Y52-V95 HydrophobicContact CE1-CG1 3.95Å; Y52-V95 HydrophobicContact CE2-CG1 4.5Å; Y52-V95 VanDerWaalsContact OH-CA 3.25Å; Y52-V95 WeakPolarHBondContact OH-CA 3.16Å; Y52-Y96 WeakPolarHBondContact CE1-O 3.17Å; Y52-Y96 PolarHBondContact OH-N 3.5Å; Y52-L234 HydrophobicContact CD2-CD1 4.44Å; Y52-L234 HydrophobicContact CE1-CD1 4.07Å; Y52-L234 HydrophobicContact CE2-CD1 3.86Å; Y52-V236 HydrophobicContact CG-CG2 4.16Å; Y52-I238 HydrophobicContact CD1-CB 4.14Å; Y52-I238 HydrophobicContact CD1-CG2 4.02Å; Y52-I238 HydrophobicContact CE1-CB 4.03Å; Y52-I238 HydrophobicContact CE1-CG2 3.92Å
53	R	96.9	Very high	96.8	Very high	27 Å²	27	17.5 Å²	17.5	10%	0.102	8%	0.075	C	C	.	.	H	α-helix	trans	-52.9	-38.3	178.4	64.8	-167.6	-172.5	-72.4	-16	114.4	F50 N51 V55 A56 N57 H157 Y237 D240	F50-R53 PolarHBondContact O-NH1 3.29Å; N51-R53 PolarHBondContact O-N 2.77Å; N51-R53 PolarHBondContact OD1-NH1 3.19Å; N51-R53 PolarHBondContact OD1-NH2 3.44Å; R53-V55 PolarHBondContact O-N 2.77Å; R53-A56 CarbonylContact O-C 3.58Å; R53-A56 PolarHBondContact O-N 2.95Å; R53-N57 WeakPolarHBondContact O-CB 3.2Å; R53-N57 PolarHBondContact O-N 3.04Å; R53-N57 PolarHBondContact O-ND2 2.94Å; R53-N57 PolarHBondContact O-OD1 3.09Å; R53-H157 PolarHBondContact NH2-CE1 3.39Å; R53-H157 PolarHBondContact NH2-NE2 2.86Å; R53-Y237 WeakPolarHBondContact CB-O 3.41Å; R53-Y237 PolarHBondContact N-O 2.93Å; R53-D240 WeakPolarHBondContact CD-OD1 3.48Å; R53-D240 IonicContact NE-OD1 2.84Å; R53-D240 PolarHBondContact NE-OD1 3.07Å; R53-D240 IonicContact NE-OD2 3.79Å
54	H	97.9	Very high	96.7	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-68.5	-38.6	-177.9	-60	156.5	0	0	0	111.1	C44 S46 N51 Y52 N57 V58 T155 G156 H157 D240	C44-H54 VanDerWaalsContact SG-C 3.55Å; S46-H54 WeakPolarHBondContact CB-ND1 3.28Å; S46-H54 PolarHBondContact OG-CE1 2.98Å; S46-H54 PolarHBondContact OG-ND1 2.93Å; N51-H54 PolarHBondContact O-N 2.64Å; Y52-H54 VanDerWaalsContact C-N 3.29Å; Y52-H54 PolarHBondContact O-N 3.16Å; H54-N57 WeakPolarHBondContact O-CB 3.44Å; H54-N57 PolarHBondContact O-N 3.24Å; H54-V58 WeakPolarHBondContact O-CG2 3.49Å; H54-V58 PolarHBondContact O-N 3.33Å; H54-T155 HydrophobicContact CB-CG2 4.26Å; H54-T155 WeakPolarHBondContact O-CG2 3.29Å; H54-G156 VanDerWaalsContact CE1-C 3.42Å; H54-H157 AromaticContact CE1-CD2 3.72Å; H54-H157 AromaticContact CE1-CE1 3.87Å; H54-H157 AromaticContact CE1-NE2 3.6Å; H54-D240 IonicContact CD2-OD2 2.6Å; H54-D240 PolarHBondContact CD2-OD2 3.34Å; H54-D240 IonicContact NE2-OD2 2.88Å
55	V	97.2	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.2	-44.7	172.7	172.8	0	0	0	0	110.5	C44 Y52 R53 N57 V58 L59 L79 M83	C44-V55 VanDerWaalsContact SG-CG2 3.57Å; Y52-V55 PolarHBondContact O-N 3.2Å; R53-V55 PolarHBondContact O-N 2.77Å; V55-N57 VanDerWaalsContact C-N 3.32Å; V55-N57 PolarHBondContact O-N 2.87Å; V55-V58 PolarHBondContact O-N 3.24Å; V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.37Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 2.97Å; V55-L79 HydrophobicContact CG1-CD1 4.45Å; V55-L79 HydrophobicContact CG1-CD2 4.28Å; V55-M83 HydrophobicContact CB-CG 3.77Å; V55-M83 HydrophobicContact CG1-CB 4.28Å; V55-M83 HydrophobicContact CG1-CG 3.98Å; V55-M83 HydrophobicContact CG2-CE 4.08Å; V55-M83 HydrophobicContact CG2-CG 3.79Å
56	A	96.8	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-37.4	176.7	0	0	0	0	0	112.7	Y52 R53 S60 V95 L105 I238	Y52-A56 HydrophobicContact CD1-CB 4.3Å; Y52-A56 HydrophobicContact CE1-CB 4.16Å; Y52-A56 PolarHBondContact O-N 3.06Å; R53-A56 CarbonylContact O-C 3.58Å; R53-A56 PolarHBondContact O-N 2.95Å; A56-S60 WeakPolarHBondContact O-CB 3.37Å; A56-S60 PolarHBondContact O-N 3.14Å; A56-S60 PolarHBondContact O-OG 2.66Å; A56-V95 HydrophobicContact CB-CG1 3.85Å; A56-L105 HydrophobicContact CB-CD1 4.24Å; A56-I238 WeakPolarHBondContact CB-O 3.22Å
57	N	97.9	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-52.3	177	-68.6	-12.5	0	0	0	111.1	R53 H54 V55 S60 M61 Y153 T155 I239 D240 T243	R53-N57 WeakPolarHBondContact O-CB 3.2Å; R53-N57 PolarHBondContact O-N 3.04Å; R53-N57 PolarHBondContact O-ND2 2.94Å; R53-N57 PolarHBondContact O-OD1 3.09Å; H54-N57 WeakPolarHBondContact O-CB 3.44Å; H54-N57 PolarHBondContact O-N 3.24Å; V55-N57 VanDerWaalsContact C-N 3.32Å; V55-N57 PolarHBondContact O-N 2.87Å; N57-S60 WeakPolarHBondContact O-CB 3.22Å; N57-S60 PolarHBondContact O-N 3.09Å; N57-S60 VanDerWaalsContact O-N 3.17Å; N57-M61 PolarHBondContact O-N 3.12Å; N57-Y153 HydrophobicContact CB-CE1 4.36Å; N57-T155 HydrophobicContact CB-CG2 3.96Å; N57-T155 PolarHBondContact ND2-OG1 3.22Å; N57-I239 VanDerWaalsContact OD1-CG1 3.29Å; N57-I239 WeakPolarHBondContact OD1-CG1 3.22Å; N57-D240 PolarHBondContact ND2-OD2 3.43Å; N57-D240 PolarHBondContact OD1-N 2.88Å; N57-T243 HydrophobicContact CB-CG2 3.82Å
58	V	98.1	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-45.1	-178.2	-179.8	0	0	0	0	111.4	L42 C44 H54 V55 S60 M61 Y62 L77 L79 Y153 T155	L42-V58 HydrophobicContact CB-CG1 3.61Å; C44-V58 HydrophobicContact CB-CB 4.24Å; C44-V58 HydrophobicContact CB-CG2 3.55Å; H54-V58 WeakPolarHBondContact O-CG2 3.49Å; H54-V58 PolarHBondContact O-N 3.33Å; V55-V58 PolarHBondContact O-N 3.24Å; V58-S60 PolarHBondContact O-N 2.8Å; V58-M61 PolarHBondContact O-N 3.1Å; V58-M61 VanDerWaalsContact O-N 3.17Å; V58-Y62 WeakPolarHBondContact O-CB 3.08Å; V58-Y62 PolarHBondContact O-N 3.06Å; V58-L77 HydrophobicContact CB-CD1 4.5Å; V58-L77 HydrophobicContact CG1-CD1 3.22Å; V58-L79 HydrophobicContact CB-CD2 4.21Å; V58-L79 HydrophobicContact CG1-CD2 4.06Å; V58-Y153 HydrophobicContact CG2-CD1 4.16Å; V58-Y153 HydrophobicContact CG2-CE1 3.93Å; V58-T155 HydrophobicContact CG2-CG2 3.25Å
59	L	97.3	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-34.8	175.9	-67.9	173.2	0	0	0	111.4	V55 Y62 H63 L77 L79 V95 L105 Y106 V110	V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.37Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 2.97Å; L59-Y62 WeakPolarHBondContact O-CB 3.34Å; L59-Y62 PolarHBondContact O-N 2.95Å; L59-H63 PolarHBondContact O-CD2 2.74Å; L59-H63 PolarHBondContact O-N 2.7Å; L59-L77 HydrophobicContact CD2-CD2 4.1Å; L59-L79 HydrophobicContact CD2-CD1 4.09Å; L59-V95 HydrophobicContact CD1-CB 3.93Å; L59-V95 HydrophobicContact CD1-CG1 3.95Å; L59-V95 HydrophobicContact CD1-CG2 4.09Å; L59-L105 HydrophobicContact CB-CB 3.83Å; L59-L105 HydrophobicContact CB-CD1 4.42Å; L59-L105 HydrophobicContact CD1-CB 4.18Å; L59-Y106 HydrophobicContact CD1-CD2 4.18Å; L59-Y106 HydrophobicContact CD2-CD2 4.43Å; L59-V110 HydrophobicContact CD2-CG1 3.75Å; L59-V110 HydrophobicContact CD2-CG2 4.18Å
60	S	96.1	Very high	96.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-67.3	-39.5	175.7	-56	0	0	0	0	112.9	A56 N57 V58 S64 N97 L105 L247	A56-S60 WeakPolarHBondContact O-CB 3.37Å; A56-S60 PolarHBondContact O-N 3.14Å; A56-S60 PolarHBondContact O-OG 2.66Å; N57-S60 WeakPolarHBondContact O-CB 3.22Å; N57-S60 PolarHBondContact O-N 3.09Å; N57-S60 VanDerWaalsContact O-N 3.17Å; V58-S60 PolarHBondContact O-N 2.8Å; S60-S64 PolarHBondContact O-N 3.01Å; S60-S64 VanDerWaalsContact O-N 3.1Å; S60-S64 PolarHBondContact O-OG 2.91Å; S60-N97 PolarHBondContact OG-ND2 3.05Å; S60-L105 WeakPolarHBondContact OG-CD1 3.22Å; S60-L247 WeakPolarHBondContact O-CD2 3.5Å
61	M	97.4	Very high	96.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-41.9	172.5	-72.2	-59.4	-153.1	0	0	111.3	L42 N57 V58 H63 S64 V65 Y153 A246 L247 L250 F297	L42-M61 HydrophobicContact CD1-CB 4.37Å; L42-M61 HydrophobicContact CD2-CB 4.28Å; N57-M61 PolarHBondContact O-N 3.12Å; V58-M61 PolarHBondContact O-N 3.1Å; V58-M61 VanDerWaalsContact O-N 3.17Å; M61-H63 PolarHBondContact O-N 3.29Å; M61-S64 WeakPolarHBondContact O-CB 3.38Å; M61-S64 PolarHBondContact O-N 2.97Å; M61-V65 PolarHBondContact O-N 3.37Å; M61-Y153 HydrophobicContact CB-CD1 4.18Å; M61-Y153 HydrophobicContact CB-CE1 4.5Å; M61-Y153 HydrophobicContact CB-CG 4.46Å; M61-Y153 HydrophobicContact CE-CD2 3.6Å; M61-Y153 HydrophobicContact CE-CE2 3.45Å; M61-Y153 VanDerWaalsContact CE-CE2 3.45Å; M61-Y153 HydrophobicContact CE-CG 4.37Å; M61-Y153 HydrophobicContact CG-CD1 3.78Å; M61-Y153 HydrophobicContact CG-CD2 4.03Å; M61-Y153 HydrophobicContact CG-CE1 3.79Å; M61-Y153 HydrophobicContact CG-CE2 4.07Å; M61-Y153 HydrophobicContact CG-CG 3.91Å; M61-A246 HydrophobicContact CE-CB 4.18Å; M61-L247 HydrophobicContact SD-CD2 4.43Å; M61-L250 HydrophobicContact SD-CD1 3.94Å; M61-F297 HydrophobicContact SD-CE1 4.44Å
62	Y	97.6	Very high	96.6	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-55.4	-50.1	174.9	177.4	-86.6	0	0	0	111.5	L42 V58 L59 S64 V65 K66 D72 I75 L77 D109 V110 E111	L42-Y62 VanDerWaalsContact CD1-CA 3.44Å; L42-Y62 HydrophobicContact CD1-CD2 4.3Å; V58-Y62 WeakPolarHBondContact O-CB 3.08Å; V58-Y62 PolarHBondContact O-N 3.06Å; L59-Y62 WeakPolarHBondContact O-CB 3.34Å; L59-Y62 PolarHBondContact O-N 2.95Å; Y62-S64 VanDerWaalsContact C-N 3.26Å; Y62-S64 PolarHBondContact O-N 3.34Å; Y62-V65 WeakPolarHBondContact O-CG2 3.3Å; Y62-V65 PolarHBondContact O-N 3.12Å; Y62-K66 HydrophobicContact CE1-CD 3.73Å; Y62-K66 VanDerWaalsContact O-CB 3.27Å; Y62-K66 WeakPolarHBondContact O-CB 3.4Å; Y62-K66 PolarHBondContact O-N 3.34Å; Y62-K66 PolarHBondContact OH-NZ 3.37Å; Y62-D72 PolarHBondContact OH-OD1 3.23Å; Y62-I75 HydrophobicContact CD2-CB 4.45Å; Y62-I75 HydrophobicContact CD2-CD1 4.37Å; Y62-I75 HydrophobicContact CD2-CG2 3.55Å; Y62-I75 HydrophobicContact CE2-CB 4.25Å; Y62-I75 HydrophobicContact CE2-CD1 4.13Å; Y62-I75 HydrophobicContact CE2-CG2 3.8Å; Y62-L77 HydrophobicContact CD2-CB 4.37Å; Y62-L77 HydrophobicContact CD2-CD2 3.93Å; Y62-L77 HydrophobicContact CE2-CD2 4.25Å; Y62-L77 HydrophobicContact CG-CD2 4.37Å; Y62-D109 PolarHBondContact OH-O 3.17Å; Y62-D109 VanDerWaalsContact OH-O 3.11Å; Y62-V110 HydrophobicContact CD1-CG2 3.92Å; Y62-V110 HydrophobicContact CE1-CB 4.22Å; Y62-V110 HydrophobicContact CE1-CG1 4.37Å; Y62-V110 HydrophobicContact CE1-CG2 3.68Å; Y62-E111 PolarHBondContact OH-N 3.19Å; Y62-E111 VanDerWaalsContact OH-N 3.16Å
63	H	94.9	Very high	96.5	Very high	56 Å²	56	21.5 Å²	21.5	26%	0.259	11%	0.108	S	C	.	.	H	α-helix	trans	-59.1	-37.9	175.2	-85.7	-70.3	0	0	0	112.6	L59 M61 R67 L105	L59-H63 PolarHBondContact O-CD2 2.74Å; L59-H63 PolarHBondContact O-N 2.7Å; M61-H63 PolarHBondContact O-N 3.29Å; H63-R67 WeakPolarHBondContact O-CB 3.41Å; H63-R67 PolarHBondContact O-N 3.42Å; H63-L105 PolarHBondContact CD2-O 2.73Å; H63-L105 PolarHBondContact NE2-O 2.91Å
64	S	95.9	Very high	96.5	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-48.3	179.2	-62.5	0	0	0	0	112.2	S60 M61 Y62 L68 L247	S60-S64 PolarHBondContact O-N 3.01Å; S60-S64 VanDerWaalsContact O-N 3.1Å; S60-S64 PolarHBondContact O-OG 2.91Å; M61-S64 WeakPolarHBondContact O-CB 3.38Å; M61-S64 PolarHBondContact O-N 2.97Å; Y62-S64 VanDerWaalsContact C-N 3.26Å; Y62-S64 PolarHBondContact O-N 3.34Å; S64-L68 WeakPolarHBondContact O-CB 3.4Å; S64-L68 VanDerWaalsContact O-CG 3.28Å; S64-L68 WeakPolarHBondContact O-CG 3.2Å; S64-L68 PolarHBondContact O-N 3.02Å; S64-L68 VanDerWaalsContact O-N 3.09Å; S64-L247 WeakPolarHBondContact OG-CD2 3.37Å
65	V	97.3	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.4	-40.4	178.5	-62.5	0	0	0	0	111.7	A40 L42 M61 Y62 L68 G69 V70 I75 L151 F297	A40-V65 HydrophobicContact CB-CG1 4.44Å; A40-V65 HydrophobicContact CB-CG2 4.42Å; L42-V65 HydrophobicContact CD1-CG2 4.21Å; M61-V65 PolarHBondContact O-N 3.37Å; Y62-V65 WeakPolarHBondContact O-CG2 3.3Å; Y62-V65 PolarHBondContact O-N 3.12Å; V65-L68 CarbonylContact O-C 3.51Å; V65-L68 PolarHBondContact O-N 3.12Å; V65-G69 PolarHBondContact O-N 3.32Å; V65-V70 HydrophobicContact CB-CB 4.3Å; V65-V70 HydrophobicContact CB-CG2 4.25Å; V65-V70 PolarHBondContact O-N 3.05Å; V65-V70 VanDerWaalsContact O-N 3.08Å; V65-I75 HydrophobicContact CG2-CD1 3.62Å; V65-I75 HydrophobicContact CG2-CG1 4.02Å; V65-L151 HydrophobicContact CG1-CD2 3.84Å; V65-F297 HydrophobicContact CG1-CD1 3.87Å
66	K	95.3	Very high	96.6	Very high	52 Å²	52	22 Å²	22	23%	0.226	11%	0.112	C	C	.	.	H	α-helix	trans	-65.2	-44.8	177.6	-173.2	166.3	-179.2	150.4	0	111.8	Y62 L68 G69 D72 I75 D109	Y62-K66 HydrophobicContact CE1-CD 3.73Å; Y62-K66 VanDerWaalsContact O-CB 3.27Å; Y62-K66 WeakPolarHBondContact O-CB 3.4Å; Y62-K66 PolarHBondContact O-N 3.34Å; Y62-K66 PolarHBondContact OH-NZ 3.37Å; K66-L68 VanDerWaalsContact C-N 3.27Å; K66-L68 PolarHBondContact O-N 3.37Å; K66-G69 WeakPolarHBondContact O-CA 3.3Å; K66-G69 PolarHBondContact O-N 3.3Å; K66-D72 IonicContact NZ-OD1 3.85Å; K66-D72 PolarHBondContact NZ-OD1 3.32Å; K66-D72 IonicContact NZ-OD2 3.53Å; K66-D72 PolarHBondContact NZ-OD2 2.95Å; K66-I75 HydrophobicContact CB-CD1 4.37Å; K66-D109 PolarHBondContact NZ-O 3.25Å
67	R	94.7	Very high	96.6	Very high	101 Å²	101	22 Å²	22	38%	0.381	11%	0.112	S	C	.	.	H	α-helix	trans	-57.4	-41.9	173.6	-178.5	175.5	62.1	87	8.2	111.4	H63 G69 L250 V253 R255	H63-R67 WeakPolarHBondContact O-CB 3.41Å; H63-R67 PolarHBondContact O-N 3.42Å; R67-G69 PolarHBondContact O-N 2.88Å; R67-L250 VanDerWaalsContact NH2-C 3.34Å; R67-L250 PolarHBondContact NH2-O 2.69Å; R67-V253 PolarHBondContact NH1-O 3.07Å; R67-R255 PolarHBondContact O-NE 3.09Å; R67-R255 VanDerWaalsContact O-NE 3.1Å; R67-R255 PolarHBondContact O-NH2 2.66Å; R67-R255 VanDerWaalsContact O-NH2 3.12Å
68	L	96.6	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.3	177.6	-66.1	173.1	0	0	0	113.8	S64 V65 K66 V253 R255 F297 G298 S299	S64-L68 WeakPolarHBondContact O-CB 3.4Å; S64-L68 VanDerWaalsContact O-CG 3.28Å; S64-L68 WeakPolarHBondContact O-CG 3.2Å; S64-L68 PolarHBondContact O-N 3.02Å; S64-L68 VanDerWaalsContact O-N 3.09Å; V65-L68 CarbonylContact O-C 3.51Å; V65-L68 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact C-N 3.27Å; K66-L68 PolarHBondContact O-N 3.37Å; L68-V253 HydrophobicContact CD1-CG1 4.28Å; L68-V253 HydrophobicContact CD2-CB 4.39Å; L68-V253 HydrophobicContact CD2-CG1 3.92Å; L68-V253 WeakPolarHBondContact CD2-O 3.47Å; L68-R255 WeakPolarHBondContact O-CG 3.43Å; L68-F297 WeakPolarHBondContact CB-O 3.42Å; L68-F297 HydrophobicContact CD1-CB 3.68Å; L68-G298 WeakPolarHBondContact O-CA 3.31Å; L68-S299 PolarHBondContact O-N 2.72Å
69	G	95.6	Very high	96.7	Very high	17 Å²	17	22.4 Å²	22.4	18%	0.175	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	1.6	162.3	0	0	0	0	0	115.4	V65 K66 R67 P71 S299	V65-G69 PolarHBondContact O-N 3.32Å; K66-G69 WeakPolarHBondContact O-CA 3.3Å; K66-G69 PolarHBondContact O-N 3.3Å; R67-G69 PolarHBondContact O-N 2.88Å; G69-P71 WeakPolarHBondContact O-CD 3.09Å; G69-S299 WeakPolarHBondContact O-CB 3.47Å
70	V	96.3	Very high	96.7	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	11%	0.114	C	C	.	.			trans	-64.6	121	172.9	-174.6	0	0	0	0	108	N38 V65 Q74 I75	N38-V70 HydrophobicContact CB-CG2 4.31Å; V65-V70 HydrophobicContact CB-CB 4.3Å; V65-V70 HydrophobicContact CB-CG2 4.25Å; V65-V70 PolarHBondContact O-N 3.05Å; V65-V70 VanDerWaalsContact O-N 3.08Å; V70-Q74 HydrophobicContact CG1-CB 3.83Å; V70-I75 HydrophobicContact CB-CD1 4.31Å; V70-I75 HydrophobicContact CB-CG1 4.31Å; V70-I75 HydrophobicContact CG1-CD1 4.2Å; V70-I75 HydrophobicContact CG1-CG1 3.69Å
71	P	95.6	Very high	96.6	Very high	53 Å²	53	23.5 Å²	23.5	34%	0.344	12%	0.119	S	C	.	.			trans	-72.7	156.3	-179.5	31.3	-36.1	0	0	0	111.5	G69 N73 Q74	G69-P71 WeakPolarHBondContact O-CD 3.09Å; P71-N73 VanDerWaalsContact C-N 3.26Å; P71-N73 WeakPolarHBondContact CB-OD1 3.32Å; P71-N73 WeakPolarHBondContact CG-OD1 3.45Å; P71-N73 PolarHBondContact O-N 3.35Å; P71-Q74 VanDerWaalsContact CD-OE1 3.27Å; P71-Q74 HydrophobicContact CG-CB 4.05Å; P71-Q74 HydrophobicContact CG-CG 3.89Å; P71-Q74 WeakPolarHBondContact O-CA 3.41Å; P71-Q74 WeakPolarHBondContact O-CB 2.95Å; P71-Q74 PolarHBondContact O-N 3.38Å
72	D	95.7	Very high	96.4	Very high	32 Å²	32	26 Å²	26	17%	0.171	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-58.6	-36.1	-177.2	-64.6	-42.5	0	0	0	113.1	Y62 K66 Q74 I75 E111	Y62-D72 PolarHBondContact OH-OD1 3.23Å; K66-D72 IonicContact NZ-OD1 3.85Å; K66-D72 PolarHBondContact NZ-OD1 3.32Å; K66-D72 IonicContact NZ-OD2 3.53Å; K66-D72 PolarHBondContact NZ-OD2 2.95Å; D72-Q74 PolarHBondContact O-N 2.87Å; D72-I75 PolarHBondContact O-N 3.23Å; D72-I75 VanDerWaalsContact O-O 3.07Å; D72-E111 HydrophobicContact CB-CB 4.5Å; D72-E111 HydrophobicContact CB-CG 4.22Å; D72-E111 WeakPolarHBondContact CB-OE2 3.3Å
73	N	95.4	Very high	96.2	Very high	98 Å²	98	26 Å²	26	52%	0.524	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-67.7	0.1	175.1	71.8	-7.9	0	0	0	114.7	W39 P71	W39-N73 VanDerWaalsContact CH2-O 3.25Å; W39-N73 WeakPolarHBondContact CH2-O 3.49Å; W39-N73 VanDerWaalsContact CZ3-O 3.26Å; W39-N73 WeakPolarHBondContact CZ3-O 3.33Å; P71-N73 VanDerWaalsContact C-N 3.26Å; P71-N73 WeakPolarHBondContact CB-OD1 3.32Å; P71-N73 WeakPolarHBondContact CG-OD1 3.45Å; P71-N73 PolarHBondContact O-N 3.35Å
74	Q	97.1	Very high	96.1	Very high	41 Å²	41	23.3 Å²	23.3	19%	0.192	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-118	7.4	171.9	-68.5	179	-13	0	0	112.6	N38 W39 A40 V70 P71 D72	N38-Q74 PolarHBondContact O-OE1 3.18Å; W39-Q74 CarbonylContact C-O 3.54Å; W39-Q74 VanDerWaalsContact CA-O 3.32Å; W39-Q74 WeakPolarHBondContact CA-O 3.14Å; W39-Q74 HydrophobicContact CD2-CB 4.17Å; W39-Q74 HydrophobicContact CD2-CG 4.21Å; W39-Q74 HydrophobicContact CE3-CB 4.17Å; W39-Q74 HydrophobicContact CE3-CG 4.43Å; W39-Q74 HydrophobicContact CH2-CG 4.24Å; W39-Q74 HydrophobicContact CZ2-CG 4.03Å; W39-Q74 HydrophobicContact CZ3-CB 4.47Å; W39-Q74 HydrophobicContact CZ3-CG 4.46Å; A40-Q74 PolarHBondContact N-O 2.68Å; V70-Q74 HydrophobicContact CG1-CB 3.83Å; P71-Q74 VanDerWaalsContact CD-OE1 3.27Å; P71-Q74 HydrophobicContact CG-CB 4.05Å; P71-Q74 HydrophobicContact CG-CG 3.89Å; P71-Q74 WeakPolarHBondContact O-CA 3.41Å; P71-Q74 WeakPolarHBondContact O-CB 2.95Å; P71-Q74 PolarHBondContact O-N 3.38Å; D72-Q74 PolarHBondContact O-N 2.87Å
75	I	98.1	Very high	96	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.5	177.1	-55.6	163.3	0	0	0	108.1	A40 L42 Y62 V65 K66 V70 D72	A40-I75 HydrophobicContact CB-CG1 4.31Å; A40-I75 HydrophobicContact CB-CG2 4.25Å; A40-I75 CarbonylContact O-C 3.58Å; A40-I75 WeakPolarHBondContact O-CA 3.4Å; L42-I75 HydrophobicContact CD1-CG2 3.82Å; L42-I75 HydrophobicContact CG-CG2 4.25Å; Y62-I75 HydrophobicContact CD2-CB 4.45Å; Y62-I75 HydrophobicContact CD2-CD1 4.37Å; Y62-I75 HydrophobicContact CD2-CG2 3.55Å; Y62-I75 HydrophobicContact CE2-CB 4.25Å; Y62-I75 HydrophobicContact CE2-CD1 4.13Å; Y62-I75 HydrophobicContact CE2-CG2 3.8Å; V65-I75 HydrophobicContact CG2-CD1 3.62Å; V65-I75 HydrophobicContact CG2-CG1 4.02Å; K66-I75 HydrophobicContact CB-CD1 4.37Å; V70-I75 HydrophobicContact CB-CD1 4.31Å; V70-I75 HydrophobicContact CB-CG1 4.31Å; V70-I75 HydrophobicContact CG1-CD1 4.2Å; V70-I75 HydrophobicContact CG1-CG1 3.69Å; D72-I75 PolarHBondContact O-N 3.23Å; D72-I75 VanDerWaalsContact O-O 3.07Å
76	I	98.6	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.7	170.4	-54.1	-56.2	0	0	0	108.6	A40 L41 L42 M78 D113 Y114 V127 S139 L142	A40-I76 PolarHBondContact O-N 2.83Å; L41-I76 WeakPolarHBondContact CA-O 3.37Å; L41-I76 HydrophobicContact CD1-CB 3.73Å; L41-I76 HydrophobicContact CD1-CG2 3.62Å; L42-I76 PolarHBondContact N-O 2.7Å; I76-M78 HydrophobicContact CG2-CE 4.16Å; I76-M78 HydrophobicContact CG2-CG 4.44Å; I76-D113 VanDerWaalsContact CA-OD2 3.29Å; I76-D113 WeakPolarHBondContact CA-OD2 3.44Å; I76-D113 HydrophobicContact CG2-CB 4.23Å; I76-Y114 HydrophobicContact CG2-CD2 4.14Å; I76-Y114 HydrophobicContact CG2-CE2 4Å; I76-V127 HydrophobicContact CG2-CG1 4.3Å; I76-S139 WeakPolarHBondContact CD1-O 3.38Å; I76-L142 HydrophobicContact CG1-CB 4.46Å
77	L	98.4	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.8	-178.6	179.5	61.1	0	0	0	111.4	L42 V58 L59 Y62 L79 V110 E111 V112 D113 Y114	L42-L77 HydrophobicContact CB-CD1 4.16Å; V58-L77 HydrophobicContact CB-CD1 4.5Å; V58-L77 HydrophobicContact CG1-CD1 3.22Å; L59-L77 HydrophobicContact CD2-CD2 4.1Å; Y62-L77 HydrophobicContact CD2-CB 4.37Å; Y62-L77 HydrophobicContact CD2-CD2 3.93Å; Y62-L77 HydrophobicContact CE2-CD2 4.25Å; Y62-L77 HydrophobicContact CG-CD2 4.37Å; L77-L79 HydrophobicContact CD1-CD2 4Å; L77-L79 HydrophobicContact CD1-CG 4.31Å; L77-L79 HydrophobicContact CD2-CD1 4.49Å; L77-L79 HydrophobicContact CG-CD2 4.45Å; L77-L79 HydrophobicContact CG-CG 4.22Å; L77-V110 HydrophobicContact CD2-CG1 3.37Å; L77-E111 WeakPolarHBondContact CB-O 2.97Å; L77-V112 HydrophobicContact CD2-CB 4.37Å; L77-V112 HydrophobicContact CD2-CG2 3.92Å; L77-V112 HydrophobicContact CG-CG1 4.37Å; L77-D113 PolarHBondContact N-OD2 2.85Å; L77-D113 PolarHBondContact O-N 2.97Å; L77-Y114 PolarHBondContact O-N 3.23Å; L77-Y114 VanDerWaalsContact O-N 3.1Å
78	M	98.5	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.4	177	-54	-169	167	0	0	110.6	L41 L42 V43 C44 I76 Y114 V119 F124 V127	L41-M78 HydrophobicContact CD1-CE 3.98Å; L41-M78 HydrophobicContact CD1-CG 4.31Å; L41-M78 HydrophobicContact CD1-SD 4.27Å; L42-M78 PolarHBondContact O-N 3.07Å; V43-M78 HydrophobicContact CB-CB 4.39Å; V43-M78 HydrophobicContact CG1-CB 4.02Å; V43-M78 HydrophobicContact CG1-SD 4.18Å; V43-M78 HydrophobicContact CG2-CB 4.32Å; V43-M78 HydrophobicContact CG2-CG 4.25Å; V43-M78 HydrophobicContact CG2-SD 4.01Å; C44-M78 PolarHBondContact N-O 2.88Å; I76-M78 HydrophobicContact CG2-CE 4.16Å; I76-M78 HydrophobicContact CG2-CG 4.44Å; M78-Y114 WeakPolarHBondContact CA-O 3.38Å; M78-Y114 HydrophobicContact CE-CD1 4.34Å; M78-Y114 HydrophobicContact CE-CD2 3.61Å; M78-Y114 HydrophobicContact CE-CE1 4.49Å; M78-Y114 HydrophobicContact CE-CE2 3.77Å; M78-Y114 HydrophobicContact CE-CG 3.95Å; M78-Y114 HydrophobicContact CG-CD2 3.93Å; M78-Y114 HydrophobicContact CG-CG 4.11Å; M78-Y114 HydrophobicContact SD-CD2 4.46Å; M78-Y114 HydrophobicContact SD-CG 4.45Å; M78-V119 HydrophobicContact CB-CG1 3.98Å; M78-V119 HydrophobicContact CB-CG2 3.95Å; M78-F124 HydrophobicContact SD-CD2 4.42Å; M78-V127 HydrophobicContact CE-CB 3.99Å; M78-V127 HydrophobicContact CE-CG1 4.32Å; M78-V127 HydrophobicContact CE-CG2 3.57Å
79	L	97.9	Very high	95.7	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.2	176.6	-60.2	-178.1	0	0	0	110.7	C44 V55 V58 L59 L77 D81 Y106 V112 Y114 G116 V119	C44-L79 HydrophobicContact CB-CD2 4.08Å; V55-L79 HydrophobicContact CG1-CD1 4.45Å; V55-L79 HydrophobicContact CG1-CD2 4.28Å; V58-L79 HydrophobicContact CB-CD2 4.21Å; V58-L79 HydrophobicContact CG1-CD2 4.06Å; L59-L79 HydrophobicContact CD2-CD1 4.09Å; L77-L79 HydrophobicContact CD1-CD2 4Å; L77-L79 HydrophobicContact CD1-CG 4.31Å; L77-L79 HydrophobicContact CD2-CD1 4.49Å; L77-L79 HydrophobicContact CG-CD2 4.45Å; L77-L79 HydrophobicContact CG-CG 4.22Å; L79-D81 PolarHBondContact O-N 3.11Å; L79-Y106 HydrophobicContact CD1-CE2 4.37Å; L79-V112 HydrophobicContact CB-CG1 4.02Å; L79-V112 HydrophobicContact CD1-CB 4.48Å; L79-V112 HydrophobicContact CD1-CG1 3.97Å; L79-V112 HydrophobicContact CD1-CG2 3.64Å; L79-V112 HydrophobicContact CG-CG1 3.86Å; L79-V112 HydrophobicContact CG-CG2 4.38Å; L79-Y114 PolarHBondContact N-O 3.14Å; L79-G116 PolarHBondContact O-N 3.39Å; L79-V119 WeakPolarHBondContact O-CG2 3.35Å
80	A	97.2	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-63.9	-20.8	-179.6	0	0	0	0	0	114	C44 S46 R47 G116 V119 Q166	C44-A80 WeakPolarHBondContact O-CB 3.42Å; C44-A80 PolarHBondContact O-N 3.24Å; C44-A80 VanDerWaalsContact O-N 3.1Å; S46-A80 WeakPolarHBondContact O-CB 3.33Å; R47-A80 VanDerWaalsContact CD-O 3.27Å; R47-A80 WeakPolarHBondContact CD-O 3.12Å; R47-A80 HydrophobicContact CG-CB 3.87Å; R47-A80 VanDerWaalsContact CG-O 3.31Å; R47-A80 WeakPolarHBondContact CG-O 3.42Å; R47-A80 PolarHBondContact NE-O 3.17Å; A80-G116 WeakPolarHBondContact O-CA 3.15Å; A80-V119 HydrophobicContact CB-CB 4.13Å; A80-V119 HydrophobicContact CB-CG1 4.04Å; A80-Q166 HydrophobicContact CB-CG 4.11Å
81	D	94.7	Very high	95.3	Very high	25 Å²	25	44.7 Å²	44.7	13%	0.134	24%	0.236	C	C	.	.	S	Bend	trans	-147.7	156.4	176.5	-158	15.6	0	0	0	112.2	R47 F48 L79 M83	R47-D81 HydrophobicContact CB-CB 4.11Å; R47-D81 HydrophobicContact CG-CB 4.08Å; F48-D81 WeakPolarHBondContact CA-OD2 3.27Å; F48-D81 PolarHBondContact N-OD2 3.35Å; L79-D81 PolarHBondContact O-N 3.11Å; D81-M83 HydrophobicContact CB-CE 3.92Å
82	D	92.4	Very high	95.1	Very high	54 Å²	54	47.2 Å²	47.2	29%	0.289	25%	0.252	S	S	.	.			trans	-102.9	83.9	-175	-164.9	-28.5	0	0	0	110.2	P84 C85 N86	D82-P84 VanDerWaalsContact C-CD 3.48Å; D82-P84 WeakPolarHBondContact OD1-CB 3.26Å; D82-P84 WeakPolarHBondContact OD1-CD 3.37Å; D82-P84 WeakPolarHBondContact OD1-CG 3.36Å; D82-C85 HydrophobicContact CB-CB 4.29Å; D82-C85 VanDerWaalsContact CG-SG 3.58Å; D82-C85 PolarHBondContact O-N 3.19Å; D82-C85 WeakPolarHBondContact OD1-CB 3.44Å; D82-C85 PolarHBondContact OD1-N 3.5Å; D82-C85 PolarHBondContact OD1-SG 2.8Å; D82-C85 VanDerWaalsContact OD1-SG 3.39Å; D82-C85 PolarHBondContact OD2-SG 3.48Å; D82-C85 VanDerWaalsContact OD2-SG 3.36Å; D82-N86 PolarHBondContact O-N 3.4Å; D82-N86 VanDerWaalsContact O-N 3.13Å
83	M	94.5	Very high	94.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-59.3	-39.3	174.1	-61.1	-57.4	152.1	0	0	113.8	F48 W49 Y52 V55 D81 C85 N86 N89 V95	F48-M83 VanDerWaalsContact O-CE 3.29Å; F48-M83 WeakPolarHBondContact O-CE 3.39Å; W49-M83 HydrophobicContact CE3-SD 3.78Å; W49-M83 HydrophobicContact CZ3-SD 4.13Å; Y52-M83 HydrophobicContact CD2-CB 3.92Å; Y52-M83 HydrophobicContact CD2-CG 3.92Å; Y52-M83 HydrophobicContact CD2-SD 4.05Å; Y52-M83 HydrophobicContact CE2-CB 4.08Å; Y52-M83 HydrophobicContact CG-CG 4.36Å; Y52-M83 HydrophobicContact CG-SD 4.49Å; V55-M83 HydrophobicContact CB-CG 3.77Å; V55-M83 HydrophobicContact CG1-CB 4.28Å; V55-M83 HydrophobicContact CG1-CG 3.98Å; V55-M83 HydrophobicContact CG2-CE 4.08Å; V55-M83 HydrophobicContact CG2-CG 3.79Å; D81-M83 HydrophobicContact CB-CE 3.92Å; M83-C85 VanDerWaalsContact C-N 3.28Å; M83-C85 PolarHBondContact O-N 3.35Å; M83-N86 PolarHBondContact O-N 3.27Å; M83-N89 PolarHBondContact O-ND2 2.93Å; M83-V95 HydrophobicContact CB-CG2 3.95Å
84	P	92.7	Very high	94.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-39.3	173.6	-20.7	23.5	0	0	0	114.1	D82 G93 V95 Y106	D82-P84 VanDerWaalsContact C-CD 3.48Å; D82-P84 WeakPolarHBondContact OD1-CB 3.26Å; D82-P84 WeakPolarHBondContact OD1-CD 3.37Å; D82-P84 WeakPolarHBondContact OD1-CG 3.36Å; P84-G93 PolarHBondContact O-N 2.9Å; P84-V95 HydrophobicContact CG-CG2 3.76Å; P84-Y106 HydrophobicContact CB-CD1 4.01Å; P84-Y106 HydrophobicContact CB-CE1 4.2Å; P84-Y106 HydrophobicContact CB-CG 4.15Å; P84-Y106 HydrophobicContact CG-CD1 3.66Å; P84-Y106 HydrophobicContact CG-CD2 3.36Å; P84-Y106 HydrophobicContact CG-CE1 3.92Å; P84-Y106 HydrophobicContact CG-CE2 3.62Å; P84-Y106 HydrophobicContact CG-CG 3.36Å
85	C	93.4	Very high	94.7	Very high	90 Å²	90	41.7 Å²	41.7	61%	0.608	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	2.8	-177.7	-59.5	0	0	0	0	114.1	D82 M83	D82-C85 HydrophobicContact CB-CB 4.29Å; D82-C85 VanDerWaalsContact CG-SG 3.58Å; D82-C85 PolarHBondContact O-N 3.19Å; D82-C85 WeakPolarHBondContact OD1-CB 3.44Å; D82-C85 PolarHBondContact OD1-N 3.5Å; D82-C85 PolarHBondContact OD1-SG 2.8Å; D82-C85 VanDerWaalsContact OD1-SG 3.39Å; D82-C85 PolarHBondContact OD2-SG 3.48Å; D82-C85 VanDerWaalsContact OD2-SG 3.36Å; M83-C85 VanDerWaalsContact C-N 3.28Å; M83-C85 PolarHBondContact O-N 3.35Å
86	N	94.5	Very high	94.5	Very high	23 Å²	23	43 Å²	43	12%	0.123	24%	0.238	C	C	.	.			trans	-67.7	132.6	-178.6	-163.3	-67.8	0	0	0	110.9	W49 D82 M83 R88 N89	W49-N86 HydrophobicContact CE3-CB 3.69Å; W49-N86 HydrophobicContact CZ3-CB 3.79Å; D82-N86 PolarHBondContact O-N 3.4Å; D82-N86 VanDerWaalsContact O-N 3.13Å; M83-N86 PolarHBondContact O-N 3.27Å; N86-R88 PolarHBondContact O-N 2.96Å; N86-R88 WeakPolarHBondContact OD1-CB 3.45Å; N86-R88 PolarHBondContact OD1-N 3.36Å; N86-N89 VanDerWaalsContact O-CB 3.26Å; N86-N89 WeakPolarHBondContact O-CB 3.49Å; N86-N89 PolarHBondContact O-N 3.01Å
87	P	94.9	Very high	94.1	Very high	131 Å²	131	44.3 Å²	44.3	85%	0.851	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.8	178.5	-26.5	34.9	0	0	0	115	N89	P87-N89 VanDerWaalsContact C-N 3.33Å
88	R	94.5	Very high	93.5	Very high	175 Å²	175	46 Å²	46	66%	0.66	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10	175.2	-65.4	-175.9	176.2	85.9	-2.3	113.4	W49 N86 P90	W49-R88 HydrophobicContact CD2-CB 3.7Å; W49-R88 HydrophobicContact CE3-CB 4.22Å; W49-R88 HydrophobicContact CG-CB 3.89Å; W49-R88 HydrophobicContact CG-CG 4.37Å; W49-R88 HydrophobicContact CZ2-CB 4.22Å; N86-R88 PolarHBondContact O-N 2.96Å; N86-R88 WeakPolarHBondContact OD1-CB 3.45Å; N86-R88 PolarHBondContact OD1-N 3.36Å; R88-P90 WeakPolarHBondContact O-CD 3.4Å
89	N	93.7	Very high	92.3	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.048	27%	0.274	C	S	.	.			trans	-77	110.3	179.9	-167.8	-13.3	0	0	0	110.1	W49 M83 N86 P87 R91 T94	W49-N89 VanDerWaalsContact CH2-CA 3.47Å; W49-N89 HydrophobicContact CH2-CB 3.61Å; W49-N89 HydrophobicContact CZ3-CB 3.8Å; M83-N89 PolarHBondContact O-ND2 2.93Å; N86-N89 VanDerWaalsContact O-CB 3.26Å; N86-N89 WeakPolarHBondContact O-CB 3.49Å; N86-N89 PolarHBondContact O-N 3.01Å; P87-N89 VanDerWaalsContact C-N 3.33Å; N89-R91 PolarHBondContact ND2-O 2.78Å; N89-R91 PolarHBondContact O-N 3Å; N89-R91 VanDerWaalsContact O-N 3.11Å; N89-R91 PolarHBondContact OD1-N 3.31Å; N89-R91 PolarHBondContact OD1-O 3.28Å; N89-R91 VanDerWaalsContact OD1-O 3.14Å; N89-T94 PolarHBondContact ND2-O 3.19Å
90	P	91.9	Very high	91.4	Very high	77 Å²	77	58.1 Å²	58.1	50%	0.5	31%	0.312	S	S	.	.	S	Bend	trans	-69.3	-7.5	179.3	32	-36.6	0	0	0	112.7	R88 L234	R88-P90 WeakPolarHBondContact O-CD 3.4Å; P90-L234 HydrophobicContact CG-CD2 3.66Å
91	R	90.7	Very high	90.5	Very high	121 Å²	121	59.6 Å²	59.6	46%	0.457	32%	0.318	S	S	.	.	S	Bend	trans	-131	80.3	177.1	-62.9	-177	-176.2	-172.4	0	109.6	N89 T94	N89-R91 PolarHBondContact ND2-O 2.78Å; N89-R91 PolarHBondContact O-N 3Å; N89-R91 VanDerWaalsContact O-N 3.11Å; N89-R91 PolarHBondContact OD1-N 3.31Å; N89-R91 PolarHBondContact OD1-O 3.28Å; N89-R91 VanDerWaalsContact OD1-O 3.14Å; R91-T94 HydrophobicContact CB-CG2 4.44Å; R91-T94 WeakPolarHBondContact CB-OG1 3.42Å; R91-T94 PolarHBondContact O-N 2.95Å; R91-T94 PolarHBondContact O-OG1 2.61Å
92	P	91.9	Very high	89.7	Confident	106 Å²	106	62.6 Å²	62.6	69%	0.688	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	143.4	-179.6	-27	35.2	0	0	0	112.3	T94	P92-T94 VanDerWaalsContact C-N 3.27Å; P92-T94 PolarHBondContact O-N 3.08Å
93	G	92.1	Very high	89.3	Confident	35 Å²	35	64.8 Å²	64.8	36%	0.361	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	9	-179.1	0	0	0	0	0	114.6	P84 N104	P84-G93 PolarHBondContact O-N 2.9Å; G93-N104 PolarHBondContact O-ND2 3.28Å; G93-N104 VanDerWaalsContact O-ND2 3.1Å
94	T	93.7	Very high	89.2	Confident	21 Å²	21	67 Å²	67	13%	0.129	36%	0.361	C	S	.	.			trans	-129.2	144.5	-176.4	75.3	0	0	0	0	114.9	N89 R91 P92 Y96 N104	N89-T94 PolarHBondContact ND2-O 3.19Å; R91-T94 HydrophobicContact CB-CG2 4.44Å; R91-T94 WeakPolarHBondContact CB-OG1 3.42Å; R91-T94 PolarHBondContact O-N 2.95Å; R91-T94 PolarHBondContact O-OG1 2.61Å; P92-T94 VanDerWaalsContact C-N 3.27Å; P92-T94 PolarHBondContact O-N 3.08Å; T94-Y96 VanDerWaalsContact OG1-CE2 3.22Å; T94-Y96 WeakPolarHBondContact OG1-CE2 3.3Å; T94-N104 VanDerWaalsContact CA-OD1 3.24Å; T94-N104 WeakPolarHBondContact CA-OD1 3.21Å
95	V	94.7	Very high	89.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.362	C	S	.	.			trans	-134.1	139.8	170.4	179.5	0	0	0	0	109.8	Y52 A56 L59 M83 P84 N104 L105	Y52-V95 HydrophobicContact CE1-CG1 3.95Å; Y52-V95 HydrophobicContact CE2-CG1 4.5Å; Y52-V95 VanDerWaalsContact OH-CA 3.25Å; Y52-V95 WeakPolarHBondContact OH-CA 3.16Å; A56-V95 HydrophobicContact CB-CG1 3.85Å; L59-V95 HydrophobicContact CD1-CB 3.93Å; L59-V95 HydrophobicContact CD1-CG1 3.95Å; L59-V95 HydrophobicContact CD1-CG2 4.09Å; M83-V95 HydrophobicContact CB-CG2 3.95Å; P84-V95 HydrophobicContact CG-CG2 3.76Å; V95-N104 PolarHBondContact N-OD1 3.01Å; V95-L105 HydrophobicContact CB-CB 4.29Å; V95-L105 HydrophobicContact CG1-CB 4.42Å; V95-L105 HydrophobicContact CG1-CD1 4.32Å; V95-L105 WeakPolarHBondContact O-CB 3.44Å; V95-L105 PolarHBondContact O-N 3.47Å
96	Y	93.8	Very high	89.1	Confident	28 Å²	28	65 Å²	65	11%	0.11	34%	0.341	C	S	.	.			trans	-134.3	141.3	-178.5	-58	-79	0	0	0	110.9	Y52 T94 K101 I103 N104	Y52-Y96 WeakPolarHBondContact CE1-O 3.17Å; Y52-Y96 PolarHBondContact OH-N 3.5Å; T94-Y96 VanDerWaalsContact OG1-CE2 3.22Å; T94-Y96 WeakPolarHBondContact OG1-CE2 3.3Å; Y96-K101 HydrophobicContact CD1-CB 3.44Å; Y96-K101 VanDerWaalsContact CD1-CB 3.44Å; Y96-K101 HydrophobicContact CD1-CG 3.86Å; Y96-K101 HydrophobicContact CD2-CB 4.28Å; Y96-K101 HydrophobicContact CD2-CD 3.9Å; Y96-K101 HydrophobicContact CD2-CG 3.9Å; Y96-K101 HydrophobicContact CE1-CB 3.63Å; Y96-K101 HydrophobicContact CE1-CG 4.31Å; Y96-K101 HydrophobicContact CE2-CB 4.44Å; Y96-K101 HydrophobicContact CE2-CD 4.07Å; Y96-K101 HydrophobicContact CE2-CG 4.35Å; Y96-K101 HydrophobicContact CG-CB 3.79Å; Y96-K101 HydrophobicContact CG-CD 4.17Å; Y96-K101 HydrophobicContact CG-CG 3.63Å; Y96-I103 WeakPolarHBondContact CD1-O 3.49Å; Y96-N104 HydrophobicContact CE1-CB 4.37Å
97	N	89.9	Confident	88.5	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.144	35%	0.349	C	S	.	.	S	Bend	trans	-103.1	2.9	174.1	60.3	0.3	0	0	0	113.8	S60 L105 I239	S60-N97 PolarHBondContact OG-ND2 3.05Å; N97-L105 HydrophobicContact CB-CD1 3.66Å; N97-I239 HydrophobicContact CB-CB 4.28Å; N97-I239 HydrophobicContact CB-CD1 3.79Å; N97-I239 HydrophobicContact CB-CG1 4.39Å
98	N	86	Confident	87.6	Confident	37 Å²	37	67 Å²	67	20%	0.198	35%	0.351	C	S	.	.	S	Bend	trans	-140	141.4	-176	-171.1	-56.3	0	0	0	110	Y100 K101 P102 I238	N98-Y100 PolarHBondContact O-N 2.68Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.29Å; N98-Y100 VanDerWaalsContact OD1-CD2 3.24Å; N98-Y100 WeakPolarHBondContact OD1-CD2 3.46Å; N98-Y100 PolarHBondContact OD1-N 2.7Å; N98-K101 WeakPolarHBondContact O-CA 3.38Å; N98-K101 WeakPolarHBondContact O-CG 3.33Å; N98-K101 PolarHBondContact O-N 2.94Å; N98-P102 HydrophobicContact CB-CG 4.4Å; N98-I238 VanDerWaalsContact C-CD1 3.46Å
99	A	73.4	Confident	87.1	Confident	49 Å²	49	64.2 Å²	64.2	41%	0.405	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.2	179.7	0	0	0	0	0	113.3	K101	A99-K101 PolarHBondContact O-N 3.39Å
100	Y	78.2	Confident	87.1	Confident	212 Å²	212	64.7 Å²	64.7	83%	0.831	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.2	174.6	-59	-65.1	0	0	0	113.6	N98	N98-Y100 PolarHBondContact O-N 2.68Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.29Å; N98-Y100 VanDerWaalsContact OD1-CD2 3.24Å; N98-Y100 WeakPolarHBondContact OD1-CD2 3.46Å; N98-Y100 PolarHBondContact OD1-N 2.7Å
101	K	78.1	Confident	87.2	Confident	30 Å²	30	65.6 Å²	65.6	13%	0.13	35%	0.35	C	S	.	.			trans	50.7	49.7	173.8	-59.7	179	-170.9	-168.3	0	113.7	Y96 N98 A99 I103 D231 S233	Y96-K101 HydrophobicContact CD1-CB 3.44Å; Y96-K101 VanDerWaalsContact CD1-CB 3.44Å; Y96-K101 HydrophobicContact CD1-CG 3.86Å; Y96-K101 HydrophobicContact CD2-CB 4.28Å; Y96-K101 HydrophobicContact CD2-CD 3.9Å; Y96-K101 HydrophobicContact CD2-CG 3.9Å; Y96-K101 HydrophobicContact CE1-CB 3.63Å; Y96-K101 HydrophobicContact CE1-CG 4.31Å; Y96-K101 HydrophobicContact CE2-CB 4.44Å; Y96-K101 HydrophobicContact CE2-CD 4.07Å; Y96-K101 HydrophobicContact CE2-CG 4.35Å; Y96-K101 HydrophobicContact CG-CB 3.79Å; Y96-K101 HydrophobicContact CG-CD 4.17Å; Y96-K101 HydrophobicContact CG-CG 3.63Å; N98-K101 WeakPolarHBondContact O-CA 3.38Å; N98-K101 WeakPolarHBondContact O-CG 3.33Å; N98-K101 PolarHBondContact O-N 2.94Å; A99-K101 PolarHBondContact O-N 3.39Å; K101-I103 VanDerWaalsContact C-N 3.32Å; K101-I103 PolarHBondContact O-N 3.12Å; K101-D231 WeakPolarHBondContact CE-OD2 3.24Å; K101-D231 IonicContact NZ-OD1 3.72Å; K101-D231 IonicContact NZ-OD2 2.68Å; K101-D231 PolarHBondContact NZ-OD2 3.23Å; K101-S233 PolarHBondContact NZ-OG 2.88Å
102	P	78.7	Confident	87.5	Confident	88 Å²	88	60.2 Å²	60.2	57%	0.571	33%	0.331	S	S	*	.			trans	-70	-29.5	-171.5	30.1	-35.7	0	0	0	113	N98	N98-P102 HydrophobicContact CB-CG 4.4Å
103	I	84.9	Confident	87.7	Confident	100 Å²	100	55.5 Å²	55.5	51%	0.513	30%	0.3	S	S	.	.	S	Bend	trans	-138.7	129	-173.5	-61	173.1	0	0	0	108.2	Y96 K101 L105	Y96-I103 WeakPolarHBondContact CD1-O 3.49Å; K101-I103 VanDerWaalsContact C-N 3.32Å; K101-I103 PolarHBondContact O-N 3.12Å; I103-L105 PolarHBondContact O-N 3.36Å
104	N	92.4	Very high	88	Confident	48 Å²	48	54.1 Å²	54.1	26%	0.257	28%	0.284	S	S	.	.			trans	-71.8	108.2	164.7	178.4	10.5	0	0	0	108.4	G93 T94 V95 Y96 Y106 G107	G93-N104 PolarHBondContact O-ND2 3.28Å; G93-N104 VanDerWaalsContact O-ND2 3.1Å; T94-N104 VanDerWaalsContact CA-OD1 3.24Å; T94-N104 WeakPolarHBondContact CA-OD1 3.21Å; V95-N104 PolarHBondContact N-OD1 3.01Å; Y96-N104 HydrophobicContact CE1-CB 4.37Å; N104-Y106 PolarHBondContact O-N 3.1Å; N104-Y106 PolarHBondContact OD1-N 3.13Å; N104-G107 PolarHBondContact ND2-N 2.94Å; N104-G107 PolarHBondContact OD1-N 3.05Å
105	L	92.2	Very high	88.1	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	30%	0.298	C	S	.	.	S	Bend	trans	-68.4	-21.7	-178.3	-66.3	177	0	0	0	113.5	A56 L59 S60 H63 V95 N97 I103 V110	A56-L105 HydrophobicContact CB-CD1 4.24Å; L59-L105 HydrophobicContact CB-CB 3.83Å; L59-L105 HydrophobicContact CB-CD1 4.42Å; L59-L105 HydrophobicContact CD1-CB 4.18Å; S60-L105 WeakPolarHBondContact OG-CD1 3.22Å; H63-L105 PolarHBondContact CD2-O 2.73Å; H63-L105 PolarHBondContact NE2-O 2.91Å; V95-L105 HydrophobicContact CB-CB 4.29Å; V95-L105 HydrophobicContact CG1-CB 4.42Å; V95-L105 HydrophobicContact CG1-CD1 4.32Å; V95-L105 WeakPolarHBondContact O-CB 3.44Å; V95-L105 PolarHBondContact O-N 3.47Å; N97-L105 HydrophobicContact CB-CD1 3.66Å; I103-L105 PolarHBondContact O-N 3.36Å; L105-V110 WeakPolarHBondContact O-CG2 3.39Å
106	Y	90.9	Very high	88.1	Confident	43 Å²	43	59.2 Å²	59.2	17%	0.169	31%	0.306	C	S	.	.	S	Bend	trans	-84.4	-55.9	176.2	-162.4	-105.2	0	0	0	110.4	L59 L79 P84 N104 V110 V112	L59-Y106 HydrophobicContact CD1-CD2 4.18Å; L59-Y106 HydrophobicContact CD2-CD2 4.43Å; L79-Y106 HydrophobicContact CD1-CE2 4.37Å; P84-Y106 HydrophobicContact CB-CD1 4.01Å; P84-Y106 HydrophobicContact CB-CE1 4.2Å; P84-Y106 HydrophobicContact CB-CG 4.15Å; P84-Y106 HydrophobicContact CG-CD1 3.66Å; P84-Y106 HydrophobicContact CG-CD2 3.36Å; P84-Y106 HydrophobicContact CG-CE1 3.92Å; P84-Y106 HydrophobicContact CG-CE2 3.62Å; P84-Y106 HydrophobicContact CG-CG 3.36Å; N104-Y106 PolarHBondContact O-N 3.1Å; N104-Y106 PolarHBondContact OD1-N 3.13Å; Y106-V110 WeakPolarHBondContact O-CB 3.35Å; Y106-V110 WeakPolarHBondContact O-CG2 3.31Å; Y106-V112 HydrophobicContact CE2-CG2 4.1Å
107	G	81.1	Confident	88.2	Confident	27 Å²	27	66.9 Å²	66.9	28%	0.278	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	-166.7	173.7	0	0	0	0	0	114.7	N104	N104-G107 PolarHBondContact ND2-N 2.94Å; N104-G107 PolarHBondContact OD1-N 3.05Å
108	D	76.6	Confident	88.5	Confident	169 Å²	169	69.2 Å²	69.2	90%	0.904	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.9	175.2	-62.7	-33.2	0	0	0	112.3
109	D	85.2	Confident	89	Confident	116 Å²	116	67.4 Å²	67.4	62%	0.62	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	2.3	-169.5	-67.1	-34.3	0	0	0	114.1	Y62 K66	Y62-D109 PolarHBondContact OH-O 3.17Å; Y62-D109 VanDerWaalsContact OH-O 3.11Å; K66-D109 PolarHBondContact NZ-O 3.25Å
110	V	93.1	Very high	90.2	Very high	19 Å²	19	66.5 Å²	66.5	12%	0.115	32%	0.324	C	S	.	.			trans	-91.9	121	-178.4	172.1	0	0	0	0	111.5	L59 Y62 L77 L105 Y106 V112	L59-V110 HydrophobicContact CD2-CG1 3.75Å; L59-V110 HydrophobicContact CD2-CG2 4.18Å; Y62-V110 HydrophobicContact CD1-CG2 3.92Å; Y62-V110 HydrophobicContact CE1-CB 4.22Å; Y62-V110 HydrophobicContact CE1-CG1 4.37Å; Y62-V110 HydrophobicContact CE1-CG2 3.68Å; L77-V110 HydrophobicContact CD2-CG1 3.37Å; L105-V110 WeakPolarHBondContact O-CG2 3.39Å; Y106-V110 WeakPolarHBondContact O-CB 3.35Å; Y106-V110 WeakPolarHBondContact O-CG2 3.31Å; V110-V112 HydrophobicContact CG1-CG2 3.85Å
111	E	94.6	Very high	91.1	Very high	96 Å²	96	57.5 Å²	57.5	45%	0.449	29%	0.291	S	S	.	.			trans	-95.3	104.2	171.2	-62.8	-167.6	-179.4	0	0	110.2	Y62 D72 L77	Y62-E111 PolarHBondContact OH-N 3.19Å; Y62-E111 VanDerWaalsContact OH-N 3.16Å; D72-E111 HydrophobicContact CB-CB 4.5Å; D72-E111 HydrophobicContact CB-CG 4.22Å; D72-E111 WeakPolarHBondContact CB-OE2 3.3Å; L77-E111 WeakPolarHBondContact CB-O 2.97Å
112	V	95.9	Very high	92.1	Very high	8 Å²	8	61 Å²	61	5%	0.048	31%	0.309	C	S	.	.			trans	-89.9	120.7	173.4	-169.2	0	0	0	0	109.8	L77 L79 Y106 V110 Y114 R115	L77-V112 HydrophobicContact CD2-CB 4.37Å; L77-V112 HydrophobicContact CD2-CG2 3.92Å; L77-V112 HydrophobicContact CG-CG1 4.37Å; L79-V112 HydrophobicContact CB-CG1 4.02Å; L79-V112 HydrophobicContact CD1-CB 4.48Å; L79-V112 HydrophobicContact CD1-CG1 3.97Å; L79-V112 HydrophobicContact CD1-CG2 3.64Å; L79-V112 HydrophobicContact CG-CG1 3.86Å; L79-V112 HydrophobicContact CG-CG2 4.38Å; Y106-V112 HydrophobicContact CE2-CG2 4.1Å; V110-V112 HydrophobicContact CG1-CG2 3.85Å; V112-Y114 WeakPolarHBondContact CG1-O 3.5Å; V112-R115 HydrophobicContact CB-CG 4.03Å; V112-R115 HydrophobicContact CG1-CG 3.54Å; V112-R115 VanDerWaalsContact O-CZ 3.26Å; V112-R115 PolarHBondContact O-NH1 3.01Å; V112-R115 PolarHBondContact O-NH2 3.4Å
113	D	97.1	Very high	93	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.037	29%	0.289	C	S	.	.	S	Bend	trans	-85	-45.3	-178.1	-63.5	-72.2	0	0	0	112.5	I76 L77 K140	I76-D113 VanDerWaalsContact CA-OD2 3.29Å; I76-D113 WeakPolarHBondContact CA-OD2 3.44Å; I76-D113 HydrophobicContact CG2-CB 4.23Å; L77-D113 PolarHBondContact N-OD2 2.85Å; L77-D113 PolarHBondContact O-N 2.97Å; D113-K140 HydrophobicContact CB-CB 4.33Å; D113-K140 HydrophobicContact CB-CD 4.49Å; D113-K140 HydrophobicContact CB-CG 3.98Å; D113-K140 VanDerWaalsContact O-CD 3.24Å; D113-K140 WeakPolarHBondContact O-CD 3.47Å; D113-K140 WeakPolarHBondContact O-CE 3.44Å; D113-K140 PolarHBondContact O-NZ 3.32Å
114	Y	97.4	Very high	93.6	Very high	6 Å²	6	53.4 Å²	53.4	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.2	179.4	-64.6	-105.6	0	0	0	108.9	I76 L77 M78 L79 V112 E118 V119 N123 V127 K140	I76-Y114 HydrophobicContact CG2-CD2 4.14Å; I76-Y114 HydrophobicContact CG2-CE2 4Å; L77-Y114 PolarHBondContact O-N 3.23Å; L77-Y114 VanDerWaalsContact O-N 3.1Å; M78-Y114 WeakPolarHBondContact CA-O 3.38Å; M78-Y114 HydrophobicContact CE-CD1 4.34Å; M78-Y114 HydrophobicContact CE-CD2 3.61Å; M78-Y114 HydrophobicContact CE-CE1 4.49Å; M78-Y114 HydrophobicContact CE-CE2 3.77Å; M78-Y114 HydrophobicContact CE-CG 3.95Å; M78-Y114 HydrophobicContact CG-CD2 3.93Å; M78-Y114 HydrophobicContact CG-CG 4.11Å; M78-Y114 HydrophobicContact SD-CD2 4.46Å; M78-Y114 HydrophobicContact SD-CG 4.45Å; L79-Y114 PolarHBondContact N-O 3.14Å; V112-Y114 WeakPolarHBondContact CG1-O 3.5Å; Y114-E118 HydrophobicContact CD1-CB 3.98Å; Y114-V119 VanDerWaalsContact O-CG2 3.25Å; Y114-V119 WeakPolarHBondContact O-CG2 3.44Å; Y114-N123 HydrophobicContact CD1-CB 4.1Å; Y114-N123 HydrophobicContact CE1-CB 3.93Å; Y114-V127 HydrophobicContact CE1-CG2 4.46Å; Y114-V127 HydrophobicContact CE2-CG2 3.83Å; Y114-V127 VanDerWaalsContact OH-CG2 3.22Å; Y114-V127 WeakPolarHBondContact OH-CG2 3.28Å; Y114-K140 HydrophobicContact CE2-CB 4.14Å; Y114-K140 PolarHBondContact OH-O 3.09Å
115	R	95.5	Very high	93.9	Very high	113 Å²	113	53 Å²	53	43%	0.426	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141	-177.6	-68.7	-177.9	-179.8	77.9	-0.7	111.4	V112 Y117 E118	V112-R115 HydrophobicContact CB-CG 4.03Å; V112-R115 HydrophobicContact CG1-CG 3.54Å; V112-R115 VanDerWaalsContact O-CZ 3.26Å; V112-R115 PolarHBondContact O-NH1 3.01Å; V112-R115 PolarHBondContact O-NH2 3.4Å; R115-Y117 PolarHBondContact O-N 3.1Å; R115-E118 PolarHBondContact N-OE2 3.25Å; R115-E118 VanDerWaalsContact N-OE2 3.13Å; R115-E118 WeakPolarHBondContact O-CB 3.32Å; R115-E118 PolarHBondContact O-N 3.34Å; R115-E118 VanDerWaalsContact O-N 3.08Å
116	G	95.8	Very high	94.2	Very high	16 Å²	16	56.6 Å²	56.6	17%	0.165	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	57	-125.8	169.2	0	0	0	0	0	111.5	L79 A80 E118 V119 Q166	L79-G116 PolarHBondContact O-N 3.39Å; A80-G116 WeakPolarHBondContact O-CA 3.15Å; G116-E118 PolarHBondContact O-N 2.7Å; G116-V119 PolarHBondContact O-N 3.25Å; G116-Q166 PolarHBondContact O-NE2 2.8Å
117	Y	95.4	Very high	94.5	Very high	188 Å²	188	54.6 Å²	54.6	74%	0.737	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-61.1	-16.2	-178.9	-61.3	-66.3	0	0	0	115.1	R47 R115 V119 N120	R47-Y117 VanDerWaalsContact NH1-CD1 3.27Å; R115-Y117 PolarHBondContact O-N 3.1Å; Y117-V119 PolarHBondContact O-N 2.88Å; Y117-N120 PolarHBondContact O-ND2 2.87Å
118	E	95.8	Very high	95.4	Very high	76 Å²	76	53.3 Å²	53.3	36%	0.355	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-69.6	-19.3	172.2	-63	-178	112.7	0	0	112.4	Y114 R115 G116 N120 N123 K140	Y114-E118 HydrophobicContact CD1-CB 3.98Å; R115-E118 PolarHBondContact N-OE2 3.25Å; R115-E118 VanDerWaalsContact N-OE2 3.13Å; R115-E118 WeakPolarHBondContact O-CB 3.32Å; R115-E118 PolarHBondContact O-N 3.34Å; R115-E118 VanDerWaalsContact O-N 3.08Å; G116-E118 PolarHBondContact O-N 2.7Å; E118-N120 VanDerWaalsContact C-N 3.33Å; E118-N120 PolarHBondContact O-N 2.96Å; E118-N120 VanDerWaalsContact O-N 3.13Å; E118-N123 WeakPolarHBondContact O-CB 3.2Å; E118-N123 PolarHBondContact O-ND2 2.89Å; E118-K140 IonicContact OE1-NZ 3.74Å; E118-K140 PolarHBondContact OE1-NZ 2.85Å; E118-K140 IonicContact OE2-NZ 2.94Å
119	V	97.7	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.211	C	C	.	.			trans	-87.8	68.3	179.6	-171.9	0	0	0	0	110.9	V43 M78 L79 A80 Y114 G116 Y117 F165 Q166	V43-V119 HydrophobicContact CG1-CG1 4.33Å; M78-V119 HydrophobicContact CB-CG1 3.98Å; M78-V119 HydrophobicContact CB-CG2 3.95Å; L79-V119 WeakPolarHBondContact O-CG2 3.35Å; A80-V119 HydrophobicContact CB-CB 4.13Å; A80-V119 HydrophobicContact CB-CG1 4.04Å; Y114-V119 VanDerWaalsContact O-CG2 3.25Å; Y114-V119 WeakPolarHBondContact O-CG2 3.44Å; G116-V119 PolarHBondContact O-N 3.25Å; Y117-V119 PolarHBondContact O-N 2.88Å; V119-F165 HydrophobicContact CG1-CD1 4.38Å; V119-F165 HydrophobicContact CG1-CE1 4.26Å; V119-F165 WeakPolarHBondContact O-CD1 3.43Å; V119-Q166 VanDerWaalsContact C-NE2 3.3Å; V119-Q166 PolarHBondContact O-NE2 2.99Å
120	N	97.5	Very high	97	Very high	29 Å²	29	41.7 Å²	41.7	16%	0.155	20%	0.201	C	C	.	.	S	Bend	trans	-115.7	170	178.5	56.6	53.9	0	0	0	110.8	Y117 E118 E122 N123 F124 E169	Y117-N120 PolarHBondContact O-ND2 2.87Å; E118-N120 VanDerWaalsContact C-N 3.33Å; E118-N120 PolarHBondContact O-N 2.96Å; E118-N120 VanDerWaalsContact O-N 3.13Å; N120-E122 VanDerWaalsContact C-N 3.29Å; N120-E122 PolarHBondContact O-N 2.96Å; N120-E122 PolarHBondContact OD1-N 3.01Å; N120-N123 PolarHBondContact ND2-ND2 3.06Å; N120-N123 PolarHBondContact O-N 2.89Å; N120-N123 WeakPolarHBondContact OD1-CB 3.37Å; N120-N123 PolarHBondContact OD1-N 3.1Å; N120-F124 PolarHBondContact O-N 3.31Å; N120-F124 VanDerWaalsContact O-N 3.1Å; N120-E169 WeakPolarHBondContact CB-OE2 3.48Å
121	V	98.1	Very high	97.1	Very high	23 Å²	23	47.7 Å²	47.7	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-41.2	-177.1	177	0	0	0	0	110.8	N123 F124 I125 F165 E169 V171	V121-N123 PolarHBondContact O-N 3.42Å; V121-F124 PolarHBondContact O-N 2.87Å; V121-I125 HydrophobicContact CG1-CG1 4.16Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.32Å; V121-I125 PolarHBondContact O-N 2.85Å; V121-F165 HydrophobicContact CG2-CB 3.97Å; V121-F165 HydrophobicContact CG2-CD1 4.38Å; V121-F165 HydrophobicContact CG2-CD2 3.95Å; V121-F165 HydrophobicContact CG2-CG 3.85Å; V121-E169 HydrophobicContact CG2-CB 3.77Å; V121-E169 PolarHBondContact N-OE2 2.92Å; V121-V171 HydrophobicContact CG1-CB 4.11Å; V121-V171 HydrophobicContact CG1-CG2 4.27Å; V121-V171 HydrophobicContact CG2-CB 4.25Å
122	E	97.7	Very high	97.2	Very high	105 Å²	105	44.1 Å²	44.1	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-49.9	-179.6	-177.6	-177.1	-163.7	0	0	112.2	N120 I125 R126	N120-E122 VanDerWaalsContact C-N 3.29Å; N120-E122 PolarHBondContact O-N 2.96Å; N120-E122 PolarHBondContact OD1-N 3.01Å; E122-I125 PolarHBondContact O-N 3.46Å; E122-R126 WeakPolarHBondContact O-CB 3.41Å; E122-R126 VanDerWaalsContact O-CG 3.25Å; E122-R126 WeakPolarHBondContact O-CG 3.17Å; E122-R126 PolarHBondContact O-N 3Å; E122-R126 IonicContact OE1-CZ 3.47Å; E122-R126 IonicContact OE1-NE 3.12Å; E122-R126 IonicContact OE1-NH1 3.83Å; E122-R126 PolarHBondContact OE1-NH1 2.73Å; E122-R126 IonicContact OE1-NH2 3.36Å; E122-R126 PolarHBondContact OE1-NH2 3.23Å; E122-R126 IonicContact OE2-NH1 2.87Å
123	N	97.5	Very high	97.2	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.15	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-39	179.2	-80.8	-24.9	0	0	0	112.2	Y114 E118 N120 V121 R126 V127	Y114-N123 HydrophobicContact CD1-CB 4.1Å; Y114-N123 HydrophobicContact CE1-CB 3.93Å; E118-N123 WeakPolarHBondContact O-CB 3.2Å; E118-N123 PolarHBondContact O-ND2 2.89Å; N120-N123 PolarHBondContact ND2-ND2 3.06Å; N120-N123 PolarHBondContact O-N 2.89Å; N120-N123 WeakPolarHBondContact OD1-CB 3.37Å; N120-N123 PolarHBondContact OD1-N 3.1Å; V121-N123 PolarHBondContact O-N 3.42Å; N123-R126 PolarHBondContact O-N 2.83Å; N123-V127 WeakPolarHBondContact O-CG2 2.93Å; N123-V127 PolarHBondContact O-N 3.39Å
124	F	98.3	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.1	-52	174.2	173.6	-115.3	0	0	0	111.4	L41 V43 M78 N120 V121 R126 V127 L128 L154 F165 V171 L176	L41-F124 HydrophobicContact CD2-CD2 4.14Å; L41-F124 HydrophobicContact CD2-CE2 3.78Å; V43-F124 HydrophobicContact CG2-CD2 3.99Å; V43-F124 HydrophobicContact CG2-CE2 3.93Å; M78-F124 HydrophobicContact SD-CD2 4.42Å; N120-F124 PolarHBondContact O-N 3.31Å; N120-F124 VanDerWaalsContact O-N 3.1Å; V121-F124 PolarHBondContact O-N 2.87Å; F124-R126 PolarHBondContact O-N 3.34Å; F124-V127 PolarHBondContact O-N 3.24Å; F124-L128 HydrophobicContact CD1-CD1 4.26Å; F124-L128 HydrophobicContact CD2-CD1 4.47Å; F124-L128 HydrophobicContact CE1-CD1 3.68Å; F124-L128 HydrophobicContact CE2-CD1 3.92Å; F124-L128 HydrophobicContact CE2-CG 4.23Å; F124-L128 HydrophobicContact CZ-CD1 3.5Å; F124-L128 VanDerWaalsContact CZ-CD1 3.5Å; F124-L128 HydrophobicContact CZ-CG 4.31Å; F124-L128 WeakPolarHBondContact O-CG 3.19Å; F124-L128 PolarHBondContact O-N 3.18Å; F124-L128 VanDerWaalsContact O-N 3.07Å; F124-L154 HydrophobicContact CE2-CD2 3.68Å; F124-L154 HydrophobicContact CZ-CD1 4.15Å; F124-L154 HydrophobicContact CZ-CD2 3.73Å; F124-F165 HydrophobicContact CB-CE1 3.88Å; F124-F165 HydrophobicContact CB-CZ 3.9Å; F124-F165 AromaticContact CD1-CZ 3.9Å; F124-F165 HydrophobicContact CD1-CZ 3.9Å; F124-F165 HydrophobicContact CD2-CZ 4.37Å; F124-F165 HydrophobicContact CG-CE1 4.28Å; F124-F165 AromaticContact CG-CZ 3.79Å; F124-F165 HydrophobicContact CG-CZ 3.79Å; F124-V171 HydrophobicContact CD1-CG2 4.42Å; F124-V171 HydrophobicContact CE1-CG2 4.33Å; F124-L176 HydrophobicContact CE1-CD1 4.16Å; F124-L176 HydrophobicContact CZ-CD1 4.13Å
125	I	98.5	Very high	96.9	Very high	39 Å²	39	59.7 Å²	59.7	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-37.4	178.2	-61.8	-67.6	0	0	0	111.4	V121 E122 V127 L128 T129 V171 D175 A179	V121-I125 HydrophobicContact CG1-CG1 4.16Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.32Å; V121-I125 PolarHBondContact O-N 2.85Å; E122-I125 PolarHBondContact O-N 3.46Å; I125-V127 PolarHBondContact O-N 2.79Å; I125-L128 CarbonylContact O-C 3.47Å; I125-L128 PolarHBondContact O-N 3.41Å; I125-T129 HydrophobicContact CG2-CG2 4.06Å; I125-T129 WeakPolarHBondContact O-CB 3.5Å; I125-T129 VanDerWaalsContact O-CG2 3.29Å; I125-T129 WeakPolarHBondContact O-CG2 3.26Å; I125-T129 PolarHBondContact O-N 2.97Å; I125-T129 PolarHBondContact O-OG1 3.17Å; I125-V171 HydrophobicContact CD1-CG2 4.26Å; I125-D175 HydrophobicContact CD1-CB 4.44Å; I125-A179 HydrophobicContact CD1-CB 3.74Å; I125-A179 HydrophobicContact CG2-CB 4.44Å
126	R	98.2	Very high	96.8	Very high	80 Å²	80	55.7 Å²	55.7	30%	0.302	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176	-80.2	177.9	168.3	151.2	7.2	112.9	E122 N123 F124 T129 G130 R131 V132	E122-R126 WeakPolarHBondContact O-CB 3.41Å; E122-R126 VanDerWaalsContact O-CG 3.25Å; E122-R126 WeakPolarHBondContact O-CG 3.17Å; E122-R126 PolarHBondContact O-N 3Å; E122-R126 IonicContact OE1-CZ 3.47Å; E122-R126 IonicContact OE1-NE 3.12Å; E122-R126 IonicContact OE1-NH1 3.83Å; E122-R126 PolarHBondContact OE1-NH1 2.73Å; E122-R126 IonicContact OE1-NH2 3.36Å; E122-R126 PolarHBondContact OE1-NH2 3.23Å; E122-R126 IonicContact OE2-NH1 2.87Å; N123-R126 PolarHBondContact O-N 2.83Å; F124-R126 PolarHBondContact O-N 3.34Å; R126-T129 PolarHBondContact O-N 2.89Å; R126-G130 WeakPolarHBondContact O-CA 3.16Å; R126-G130 PolarHBondContact O-N 2.82Å; R126-R131 HydrophobicContact CG-CB 4.44Å; R126-R131 PolarHBondContact O-N 2.87Å; R126-V132 HydrophobicContact CB-CG1 3.99Å
127	V	98.4	Very high	96.8	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-48.9	174.2	169.7	0	0	0	0	110	L41 I76 M78 Y114 N123 F124 I125 T129 G130 V132 L142 R188	L41-V127 HydrophobicContact CD1-CG1 4.15Å; L41-V127 HydrophobicContact CD2-CG1 4.23Å; I76-V127 HydrophobicContact CG2-CG1 4.3Å; M78-V127 HydrophobicContact CE-CB 3.99Å; M78-V127 HydrophobicContact CE-CG1 4.32Å; M78-V127 HydrophobicContact CE-CG2 3.57Å; Y114-V127 HydrophobicContact CE1-CG2 4.46Å; Y114-V127 HydrophobicContact CE2-CG2 3.83Å; Y114-V127 VanDerWaalsContact OH-CG2 3.22Å; Y114-V127 WeakPolarHBondContact OH-CG2 3.28Å; N123-V127 WeakPolarHBondContact O-CG2 2.93Å; N123-V127 PolarHBondContact O-N 3.39Å; F124-V127 PolarHBondContact O-N 3.24Å; I125-V127 PolarHBondContact O-N 2.79Å; V127-T129 VanDerWaalsContact C-N 3.28Å; V127-T129 PolarHBondContact O-N 3.35Å; V127-G130 PolarHBondContact O-N 2.81Å; V127-V132 HydrophobicContact CG2-CG1 4.08Å; V127-L142 HydrophobicContact CG1-CB 3.76Å; V127-R188 PolarHBondContact O-NH1 2.72Å; V127-R188 VanDerWaalsContact O-NH1 3.11Å; V127-R188 PolarHBondContact O-NH2 3.38Å; V127-R188 VanDerWaalsContact O-NH2 3.11Å
128	L	98.6	Very high	96.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-29.1	176.1	-69.9	-179.1	0	0	0	113.9	L41 F124 I125 I152 L176 A179 M183 R188	L41-L128 HydrophobicContact CD2-CD2 3.48Å; L41-L128 VanDerWaalsContact CD2-CD2 3.48Å; L41-L128 HydrophobicContact CD2-CG 4.06Å; F124-L128 HydrophobicContact CD1-CD1 4.26Å; F124-L128 HydrophobicContact CD2-CD1 4.47Å; F124-L128 HydrophobicContact CE1-CD1 3.68Å; F124-L128 HydrophobicContact CE2-CD1 3.92Å; F124-L128 HydrophobicContact CE2-CG 4.23Å; F124-L128 HydrophobicContact CZ-CD1 3.5Å; F124-L128 VanDerWaalsContact CZ-CD1 3.5Å; F124-L128 HydrophobicContact CZ-CG 4.31Å; F124-L128 WeakPolarHBondContact O-CG 3.19Å; F124-L128 PolarHBondContact O-N 3.18Å; F124-L128 VanDerWaalsContact O-N 3.07Å; I125-L128 CarbonylContact O-C 3.47Å; I125-L128 PolarHBondContact O-N 3.41Å; L128-I152 HydrophobicContact CD2-CD1 3.56Å; L128-I152 HydrophobicContact CD2-CG1 4.4Å; L128-L176 HydrophobicContact CD1-CD1 4.14Å; L128-A179 HydrophobicContact CB-CB 4.2Å; L128-A179 HydrophobicContact CD1-CB 3.95Å; L128-M183 HydrophobicContact CB-SD 4.24Å; L128-M183 HydrophobicContact CD2-SD 3.78Å; L128-M183 WeakPolarHBondContact O-CG 2.8Å; L128-R188 PolarHBondContact O-NH1 3.22Å
129	T	97.9	Very high	96.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-103.8	-6.8	-177.4	59	0	0	0	0	114.3	I125 R126 V127 R131 A179 Q182 K186	I125-T129 HydrophobicContact CG2-CG2 4.06Å; I125-T129 WeakPolarHBondContact O-CB 3.5Å; I125-T129 VanDerWaalsContact O-CG2 3.29Å; I125-T129 WeakPolarHBondContact O-CG2 3.26Å; I125-T129 PolarHBondContact O-N 2.97Å; I125-T129 PolarHBondContact O-OG1 3.17Å; R126-T129 PolarHBondContact O-N 2.89Å; V127-T129 VanDerWaalsContact C-N 3.28Å; V127-T129 PolarHBondContact O-N 3.35Å; T129-R131 VanDerWaalsContact C-N 3.25Å; T129-R131 PolarHBondContact O-N 2.62Å; T129-R131 WeakPolarHBondContact OG1-CG 3.25Å; T129-A179 HydrophobicContact CG2-CB 4.27Å; T129-Q182 HydrophobicContact CG2-CB 3.98Å; T129-K186 PolarHBondContact O-NZ 3.38Å
130	G	97.4	Very high	96.3	Very high	40 Å²	40	59.4 Å²	59.4	41%	0.412	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	20.7	177.9	0	0	0	0	0	111.7	R126 V127 V132	R126-G130 WeakPolarHBondContact O-CA 3.16Å; R126-G130 PolarHBondContact O-N 2.82Å; V127-G130 PolarHBondContact O-N 2.81Å; G130-V132 VanDerWaalsContact C-N 3.34Å
131	R	96.6	Very high	96.3	Very high	145 Å²	145	60.7 Å²	60.7	55%	0.547	32%	0.315	S	S	.	.			trans	-100.2	29.3	-176.7	-60.8	179.1	-173.8	-167.9	-2.6	111.7	R126 T129	R126-R131 HydrophobicContact CG-CB 4.44Å; R126-R131 PolarHBondContact O-N 2.87Å; T129-R131 VanDerWaalsContact C-N 3.25Å; T129-R131 PolarHBondContact O-N 2.62Å; T129-R131 WeakPolarHBondContact OG1-CG 3.25Å
132	V	95.8	Very high	96.3	Very high	20 Å²	20	59.8 Å²	59.8	12%	0.121	31%	0.309	C	S	.	.			trans	-71.1	144.2	173.1	-63.9	0	0	0	0	109.9	R126 V127 G130 V136 R141	R126-V132 HydrophobicContact CB-CG1 3.99Å; V127-V132 HydrophobicContact CG2-CG1 4.08Å; G130-V132 VanDerWaalsContact C-N 3.34Å; V132-V136 HydrophobicContact CB-CB 4.34Å; V132-V136 HydrophobicContact CB-CG1 4.5Å; V132-V136 HydrophobicContact CB-CG2 4.23Å; V132-V136 HydrophobicContact CG2-CB 4.47Å; V132-R141 HydrophobicContact CG2-CB 4.5Å; V132-R141 HydrophobicContact CG2-CG 3.84Å
133	P	95.2	Very high	96.3	Very high	66 Å²	66	58 Å²	58	43%	0.429	30%	0.302	S	S	.	.			trans	-55.9	149.6	176.1	-26.2	33.8	0	0	0	113.3	A135 V136 R141	P133-A135 PolarHBondContact O-N 3.42Å; P133-A135 VanDerWaalsContact O-N 3.1Å; P133-V136 HydrophobicContact CB-CG2 4.28Å; P133-V136 HydrophobicContact CG-CG2 4.39Å; P133-V136 WeakPolarHBondContact O-CB 3.37Å; P133-V136 WeakPolarHBondContact O-CG2 3.47Å; P133-V136 PolarHBondContact O-N 3.23Å; P133-R141 PolarHBondContact O-NH2 3.16Å
134	E	93.5	Very high	96.3	Very high	185 Å²	185	57.1 Å²	57.1	86%	0.864	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.4	-180	-69.9	-173	172.9	0	0	114	V136 R141	E134-V136 VanDerWaalsContact C-N 3.32Å; E134-R141 PolarHBondContact O-NH2 3.42Å
135	A	95.2	Very high	96.3	Very high	97 Å²	97	59.4 Å²	59.4	80%	0.802	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-16.7	176	0	0	0	0	0	113.9	P133	P133-A135 PolarHBondContact O-N 3.42Å; P133-A135 VanDerWaalsContact O-N 3.1Å
136	V	94.3	Very high	96.2	Very high	29 Å²	29	62.5 Å²	62.5	18%	0.176	32%	0.324	C	S	.	.	S	Bend	trans	-66.9	125.7	-179.5	174.2	0	0	0	0	109.4	V132 P133 E134 K140 R141	V132-V136 HydrophobicContact CB-CB 4.34Å; V132-V136 HydrophobicContact CB-CG1 4.5Å; V132-V136 HydrophobicContact CB-CG2 4.23Å; V132-V136 HydrophobicContact CG2-CB 4.47Å; P133-V136 HydrophobicContact CB-CG2 4.28Å; P133-V136 HydrophobicContact CG-CG2 4.39Å; P133-V136 WeakPolarHBondContact O-CB 3.37Å; P133-V136 WeakPolarHBondContact O-CG2 3.47Å; P133-V136 PolarHBondContact O-N 3.23Å; E134-V136 VanDerWaalsContact C-N 3.32Å; V136-K140 HydrophobicContact CG1-CB 3.75Å; V136-R141 HydrophobicContact CG1-CG 4.13Å; V136-R141 PolarHBondContact O-NE 3.01Å; V136-R141 PolarHBondContact O-NH2 3.11Å
137	P	94.7	Very high	96.1	Very high	72 Å²	72	64.6 Å²	64.6	47%	0.468	33%	0.332	S	S	.	.			trans	-56.6	149.3	-179.9	-26.1	34.8	0	0	0	112.8	S139 K140 R141	P137-S139 PolarHBondContact O-N 2.55Å; P137-K140 PolarHBondContact O-N 2.92Å; P137-R141 WeakPolarHBondContact O-CG 3.3Å
138	R	93.7	Very high	96.1	Very high	191 Å²	191	64.6 Å²	64.6	72%	0.721	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-56.4	-34.2	180	-74.3	-177.1	67.1	116.1	-0.6	113.4	K140 R141 L143	R138-K140 PolarHBondContact O-N 2.97Å; R138-R141 PolarHBondContact O-N 3.08Å; R138-R141 VanDerWaalsContact O-N 3.16Å; R138-L143 HydrophobicContact CB-CD1 4.4Å
139	S	90.7	Very high	96.1	Very high	52 Å²	52	64.6 Å²	64.6	36%	0.364	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-60	-34.7	177.8	51.2	0	0	0	0	112.5	I76 P137 R141	I76-S139 WeakPolarHBondContact CD1-O 3.38Å; P137-S139 PolarHBondContact O-N 2.55Å; S139-R141 VanDerWaalsContact C-N 3.27Å; S139-R141 PolarHBondContact O-N 2.82Å
140	K	95	Very high	96.1	Very high	43 Å²	43	64.5 Å²	64.5	19%	0.187	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-84.4	10.2	178.6	-59.4	-165	178	-160.9	0	114.1	D113 Y114 E118 V136 P137 R138	D113-K140 HydrophobicContact CB-CB 4.33Å; D113-K140 HydrophobicContact CB-CD 4.49Å; D113-K140 HydrophobicContact CB-CG 3.98Å; D113-K140 VanDerWaalsContact O-CD 3.24Å; D113-K140 WeakPolarHBondContact O-CD 3.47Å; D113-K140 WeakPolarHBondContact O-CE 3.44Å; D113-K140 PolarHBondContact O-NZ 3.32Å; Y114-K140 HydrophobicContact CE2-CB 4.14Å; Y114-K140 PolarHBondContact OH-O 3.09Å; E118-K140 IonicContact OE1-NZ 3.74Å; E118-K140 PolarHBondContact OE1-NZ 2.85Å; E118-K140 IonicContact OE2-NZ 2.94Å; V136-K140 HydrophobicContact CG1-CB 3.75Å; P137-K140 PolarHBondContact O-N 2.92Å; R138-K140 PolarHBondContact O-N 2.97Å
141	R	97.4	Very high	96.2	Very high	57 Å²	57	62.6 Å²	62.6	22%	0.215	31%	0.311	C	S	.	.	S	Bend	trans	-113.9	133.8	-176.8	-50.1	-167.6	-174	-175.6	4.2	110.7	W39 V132 P133 E134 V136 P137 R138 S139 L143	W39-R141 WeakPolarHBondContact CZ3-O 3.26Å; V132-R141 HydrophobicContact CG2-CB 4.5Å; V132-R141 HydrophobicContact CG2-CG 3.84Å; P133-R141 PolarHBondContact O-NH2 3.16Å; E134-R141 PolarHBondContact O-NH2 3.42Å; V136-R141 HydrophobicContact CG1-CG 4.13Å; V136-R141 PolarHBondContact O-NE 3.01Å; V136-R141 PolarHBondContact O-NH2 3.11Å; P137-R141 WeakPolarHBondContact O-CG 3.3Å; R138-R141 PolarHBondContact O-N 3.08Å; R138-R141 VanDerWaalsContact O-N 3.16Å; S139-R141 VanDerWaalsContact C-N 3.27Å; S139-R141 PolarHBondContact O-N 2.82Å; R141-L143 HydrophobicContact CB-CD2 3.79Å; R141-L143 HydrophobicContact CB-CG 3.93Å; R141-L143 PolarHBondContact O-N 3.47Å; R141-L143 VanDerWaalsContact O-N 3.09Å
142	L	97.8	Very high	96.3	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.285	C	S	.	.			trans	-70.2	101.8	165.6	-179.7	62.5	0	0	0	108.5	W39 I76 V127 M183 R188	W39-L142 HydrophobicContact CB-CD1 3.65Å; W39-L142 HydrophobicContact CD2-CD1 3.87Å; W39-L142 HydrophobicContact CE3-CD1 3.66Å; W39-L142 HydrophobicContact CG-CD1 3.89Å; I76-L142 HydrophobicContact CG1-CB 4.46Å; V127-L142 HydrophobicContact CG1-CB 3.76Å; L142-M183 HydrophobicContact CD2-CE 3.96Å; L142-R188 PolarHBondContact O-NH2 3.13Å
143	L	97.2	Very high	96.4	Very high	69 Å²	69	54.8 Å²	54.8	36%	0.361	28%	0.28	S	S	.	.			trans	-103.2	35.3	-178	-58.8	175.4	0	0	0	112.1	W39 R138 R141	W39-L143 HydrophobicContact CH2-CB 3.62Å; W39-L143 HydrophobicContact CH2-CG 4.29Å; W39-L143 HydrophobicContact CZ2-CB 3.72Å; W39-L143 HydrophobicContact CZ3-CB 4.5Å; R138-L143 HydrophobicContact CB-CD1 4.4Å; R141-L143 HydrophobicContact CB-CD2 3.79Å; R141-L143 HydrophobicContact CB-CG 3.93Å; R141-L143 PolarHBondContact O-N 3.47Å; R141-L143 VanDerWaalsContact O-N 3.09Å
144	S	97.6	Very high	96.6	Very high	8 Å²	8	51.7 Å²	51.7	6%	0.056	26%	0.259	C	S	.	.			trans	-70.4	151.8	177.1	61.8	0	0	0	0	112.6	S148 R188	S144-S148 WeakPolarHBondContact CA-OG 3.31Å; S144-R188 CarbonylContact C-O 3.6Å; S144-R188 WeakPolarHBondContact CB-O 3.41Å; S144-R188 PolarHBondContact OG-O 3.35Å
145	D	97.6	Very high	96.8	Very high	48 Å²	48	42.9 Å²	42.9	26%	0.257	22%	0.218	S	C	.	.			trans	-131.4	-174.5	-179.5	70.9	25.7	0	0	0	112.3	R147 S148 N187 R188 Y189	D145-R147 PolarHBondContact O-N 2.87Å; D145-R147 WeakPolarHBondContact OD1-CA 3.42Å; D145-R147 WeakPolarHBondContact OD1-CB 3.34Å; D145-R147 PolarHBondContact OD1-N 3Å; D145-S148 PolarHBondContact N-OG 3.38Å; D145-S148 WeakPolarHBondContact O-CB 3.19Å; D145-S148 PolarHBondContact O-N 2.87Å; D145-S148 PolarHBondContact OD1-N 3.19Å; D145-S148 PolarHBondContact OD1-OG 3.2Å; D145-N187 CarbonylContact C-O 3.35Å; D145-N187 VanDerWaalsContact CA-O 3.28Å; D145-N187 WeakPolarHBondContact CA-O 3.05Å; D145-R188 CarbonylContact O-C 3.53Å; D145-Y189 CarbonylContact O-C 3.58Å; D145-Y189 WeakPolarHBondContact O-CA 3.39Å; D145-Y189 PolarHBondContact O-N 2.68Å
146	H	96.9	Very high	97	Very high	104 Å²	104	38.4 Å²	38.4	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.6	-179.7	64.6	-75.4	0	0	0	115	N187 H190	H146-N187 HydrophobicContact CB-CB 4.08Å; H146-N187 PolarHBondContact N-O 2.01Å; H146-H190 WeakPolarHBondContact O-CA 3.36Å; H146-H190 WeakPolarHBondContact O-CB 3.48Å
147	R	96.6	Very high	97.1	Very high	125 Å²	125	39.5 Å²	39.5	47%	0.472	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.8	175	-55.6	-177.8	-63.7	-178.3	-1.8	112.2	H35 T36 D145	H35-R147 CarbonylContact C-O 3.58Å; H35-R147 VanDerWaalsContact CA-O 3.3Å; H35-R147 WeakPolarHBondContact CA-O 3.06Å; H35-R147 WeakPolarHBondContact CB-O 3.45Å; T36-R147 HydrophobicContact CG2-CB 3.88Å; T36-R147 HydrophobicContact CG2-CG 4.48Å; T36-R147 PolarHBondContact N-O 3.47Å; T36-R147 WeakPolarHBondContact OG1-CB 3.31Å; T36-R147 PolarHBondContact OG1-O 2.84Å; D145-R147 PolarHBondContact O-N 2.87Å; D145-R147 WeakPolarHBondContact OD1-CA 3.42Å; D145-R147 WeakPolarHBondContact OD1-CB 3.34Å; D145-R147 PolarHBondContact OD1-N 3Å
148	S	98	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.9	177.2	-66	0	0	0	0	111.4	N37 S144 D145 Y189 H190	N37-S148 WeakPolarHBondContact O-CA 3.39Å; N37-S148 VanDerWaalsContact OD1-CB 3.26Å; N37-S148 WeakPolarHBondContact OD1-CB 3.11Å; N37-S148 PolarHBondContact OD1-OG 3.35Å; S144-S148 WeakPolarHBondContact CA-OG 3.31Å; D145-S148 PolarHBondContact N-OG 3.38Å; D145-S148 WeakPolarHBondContact O-CB 3.19Å; D145-S148 PolarHBondContact O-N 2.87Å; D145-S148 PolarHBondContact OD1-N 3.19Å; D145-S148 PolarHBondContact OD1-OG 3.2Å; S148-Y189 CarbonylContact O-C 3.59Å; S148-Y189 WeakPolarHBondContact O-CA 3Å; S148-H190 PolarHBondContact O-N 2.92Å
149	N	98.3	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.5	160.9	-69.9	-7.2	0	0	0	109.6	H35 N37 N38 W39 H190 E191 D295 F296	H35-N149 PolarHBondContact CE1-ND2 3.26Å; H35-N149 PolarHBondContact ND1-ND2 3.39Å; N37-N149 PolarHBondContact O-N 2.85Å; N38-N149 CarbonylContact C-O 3.49Å; N38-N149 WeakPolarHBondContact CA-O 3.26Å; N38-N149 WeakPolarHBondContact OD1-CB 3.42Å; W39-N149 PolarHBondContact N-O 3.44Å; N149-H190 WeakPolarHBondContact OD1-CB 3.33Å; N149-H190 PolarHBondContact OD1-CD2 2.92Å; N149-E191 VanDerWaalsContact CA-O 3.31Å; N149-E191 WeakPolarHBondContact CA-O 3.16Å; N149-E191 PolarHBondContact OD1-N 2.86Å; N149-D295 WeakPolarHBondContact CB-O 3.42Å; N149-D295 PolarHBondContact ND2-O 3.08Å; N149-F296 HydrophobicContact CB-CD1 3.99Å; N149-F296 HydrophobicContact CB-CE1 4.01Å
150	V	98.7	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.7	-177.3	-175.5	0	0	0	0	109.9	W39 I152 M183 E191 L192 L193	W39-V150 HydrophobicContact CB-CG2 4.38Å; W39-V150 WeakPolarHBondContact O-CA 3.15Å; V150-I152 HydrophobicContact CG1-CG1 4.05Å; V150-M183 HydrophobicContact CG1-CE 4.26Å; V150-M183 HydrophobicContact CG2-CE 4.42Å; V150-E191 PolarHBondContact N-O 3.32Å; V150-L192 HydrophobicContact CB-CG 4.48Å; V150-L192 CarbonylContact O-C 3.5Å; V150-L192 WeakPolarHBondContact O-CA 3.24Å; V150-L193 PolarHBondContact O-N 3.05Å
151	L	98.8	Very high	97.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.8	166.9	169.4	64	0	0	0	109	W39 A40 L41 L42 V65 L193 V195 F297	W39-L151 PolarHBondContact O-N 2.92Å; A40-L151 CarbonylContact C-O 3.4Å; A40-L151 WeakPolarHBondContact CA-O 3.47Å; A40-L151 HydrophobicContact CB-CB 4.49Å; A40-L151 HydrophobicContact CB-CD2 4.47Å; L41-L151 PolarHBondContact N-O 2.91Å; L42-L151 HydrophobicContact CD2-CD2 4.44Å; V65-L151 HydrophobicContact CG1-CD2 3.84Å; L151-L193 WeakPolarHBondContact CA-O 3.43Å; L151-L193 HydrophobicContact CD1-CB 4.38Å; L151-L193 HydrophobicContact CD1-CD2 3.89Å; L151-L193 HydrophobicContact CD1-CG 3.93Å; L151-V195 HydrophobicContact CD1-CG2 3.93Å; L151-F297 HydrophobicContact CD1-CE1 4.4Å; L151-F297 HydrophobicContact CD1-CE2 4.49Å; L151-F297 HydrophobicContact CD1-CZ 4.02Å; L151-F297 HydrophobicContact CD2-CD1 3.76Å; L151-F297 HydrophobicContact CD2-CE1 3.5Å; L151-F297 VanDerWaalsContact CD2-CE1 3.5Å; L151-F297 HydrophobicContact CD2-CG 4.37Å; L151-F297 HydrophobicContact CD2-CZ 3.93Å
152	I	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.5	168.7	-57.4	174.8	0	0	0	107.6	L41 L128 V150 L154 L192 L193 L194 V195	L41-I152 HydrophobicContact CB-CG1 4.45Å; L41-I152 CarbonylContact O-C 3.5Å; L41-I152 WeakPolarHBondContact O-CA 3.43Å; L128-I152 HydrophobicContact CD2-CD1 3.56Å; L128-I152 HydrophobicContact CD2-CG1 4.4Å; V150-I152 HydrophobicContact CG1-CG1 4.05Å; I152-L154 HydrophobicContact CG2-CD2 3.72Å; I152-L154 HydrophobicContact CG2-CG 3.99Å; I152-L192 HydrophobicContact CD1-CD1 3.87Å; I152-L192 HydrophobicContact CD1-CD2 4.2Å; I152-L192 HydrophobicContact CD1-CG 4.29Å; I152-L193 PolarHBondContact N-O 2.67Å; I152-L194 HydrophobicContact CB-CD1 3.86Å; I152-L194 HydrophobicContact CG2-CD1 3.74Å; I152-V195 PolarHBondContact O-N 2.9Å
153	Y	98.9	Very high	97.9	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118	175.3	178.4	-103.5	0	0	0	109.9	L41 L42 V43 N57 V58 M61 T155 V195 D197 T243	L41-Y153 PolarHBondContact O-N 3.33Å; L42-Y153 HydrophobicContact CD2-CG 4.47Å; V43-Y153 PolarHBondContact N-O 2.73Å; N57-Y153 HydrophobicContact CB-CE1 4.36Å; V58-Y153 HydrophobicContact CG2-CD1 4.16Å; V58-Y153 HydrophobicContact CG2-CE1 3.93Å; M61-Y153 HydrophobicContact CB-CD1 4.18Å; M61-Y153 HydrophobicContact CB-CE1 4.5Å; M61-Y153 HydrophobicContact CB-CG 4.46Å; M61-Y153 HydrophobicContact CE-CD2 3.6Å; M61-Y153 HydrophobicContact CE-CE2 3.45Å; M61-Y153 VanDerWaalsContact CE-CE2 3.45Å; M61-Y153 HydrophobicContact CE-CG 4.37Å; M61-Y153 HydrophobicContact CG-CD1 3.78Å; M61-Y153 HydrophobicContact CG-CD2 4.03Å; M61-Y153 HydrophobicContact CG-CE1 3.79Å; M61-Y153 HydrophobicContact CG-CE2 4.07Å; M61-Y153 HydrophobicContact CG-CG 3.91Å; Y153-T155 HydrophobicContact CE1-CG2 3.71Å; Y153-V195 WeakPolarHBondContact CA-O 3.29Å; Y153-V195 HydrophobicContact CD2-CB 3.85Å; Y153-V195 HydrophobicContact CD2-CG1 3.61Å; Y153-V195 HydrophobicContact CE2-CG1 3.85Å; Y153-D197 HydrophobicContact CE2-CB 4.28Å; Y153-T243 PolarHBondContact OH-OG1 2.84Å
154	L	98.8	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.3	178.7	-50.9	-178.2	0	0	0	109.4	V43 F124 I152 L163 L176 L194 V195 V196 D197	V43-L154 HydrophobicContact CB-CD2 3.78Å; V43-L154 HydrophobicContact CG2-CD2 3.81Å; F124-L154 HydrophobicContact CE2-CD2 3.68Å; F124-L154 HydrophobicContact CZ-CD1 4.15Å; F124-L154 HydrophobicContact CZ-CD2 3.73Å; I152-L154 HydrophobicContact CG2-CD2 3.72Å; I152-L154 HydrophobicContact CG2-CG 3.99Å; L154-L163 HydrophobicContact CB-CD2 3.91Å; L154-L163 HydrophobicContact CD1-CD2 4.13Å; L154-L176 HydrophobicContact CD1-CD2 4.28Å; L154-L194 HydrophobicContact CD1-CD1 4.19Å; L154-L194 HydrophobicContact CG-CD1 4.38Å; L154-V195 PolarHBondContact N-O 2.71Å; L154-V196 HydrophobicContact CB-CG1 4.43Å; L154-D197 PolarHBondContact O-N 3.01Å
155	T	98.6	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141	171.8	-172.5	0	0	0	0	111.3	V43 T45 H54 N57 V58 Y153 D197	V43-T155 PolarHBondContact O-N 2.9Å; T45-T155 PolarHBondContact N-O 2.8Å; T45-T155 PolarHBondContact OG1-O 2.85Å; H54-T155 HydrophobicContact CB-CG2 4.26Å; H54-T155 WeakPolarHBondContact O-CG2 3.29Å; N57-T155 HydrophobicContact CB-CG2 3.96Å; N57-T155 PolarHBondContact ND2-OG1 3.22Å; V58-T155 HydrophobicContact CG2-CG2 3.25Å; Y153-T155 HydrophobicContact CE1-CG2 3.71Å; T155-D197 WeakPolarHBondContact CA-O 3.16Å; T155-D197 PolarHBondContact OG1-O 2.91Å
156	G	98	Very high	97.9	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	165.2	-161.9	-172.5	0	0	0	0	0	111.8	T45 S46 H54 D197 T198	T45-G156 WeakPolarHBondContact OG1-CA 3.26Å; S46-G156 VanDerWaalsContact OG-CA 3.3Å; S46-G156 WeakPolarHBondContact OG-CA 2.94Å; H54-G156 VanDerWaalsContact CE1-C 3.42Å; G156-D197 PolarHBondContact N-O 2.86Å; G156-T198 PolarHBondContact O-OG1 2.96Å; G156-T198 VanDerWaalsContact O-OG1 3.09Å
157	H	97.6	Very high	97.5	Very high	52 Å²	52	25.2 Å²	25.2	24%	0.241	13%	0.127	C	C	.	.			trans	-95.9	143.2	169.7	-67.9	-70.8	0	0	0	110.4	S46 N51 R53 H54 L163 K164 T198	S46-H157 PolarHBondContact OG-N 3.05Å; N51-H157 PolarHBondContact OD1-NE2 2.91Å; R53-H157 PolarHBondContact NH2-CE1 3.39Å; R53-H157 PolarHBondContact NH2-NE2 2.86Å; H54-H157 AromaticContact CE1-CD2 3.72Å; H54-H157 AromaticContact CE1-CE1 3.87Å; H54-H157 AromaticContact CE1-NE2 3.6Å; H157-L163 WeakPolarHBondContact O-CD1 3.24Å; H157-K164 HydrophobicContact CB-CD 4.45Å; H157-K164 WeakPolarHBondContact O-CB 3.45Å; H157-K164 PolarHBondContact O-N 3.04Å; H157-T198 VanDerWaalsContact C-OG1 3.26Å
158	G	96.9	Very high	97.3	Very high	16 Å²	16	23.8 Å²	23.8	17%	0.165	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	-174.5	-179.2	0	0	0	0	0	111.1	F162 T198	G158-F162 WeakPolarHBondContact CA-O 3.49Å; G158-T198 WeakPolarHBondContact CA-OG1 3.4Å; G158-T198 PolarHBondContact N-OG1 3.12Å
159	G	96.6	Very high	97.2	Very high	6 Å²	6	28 Å²	28	6%	0.062	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-163.3	176.5	0	0	0	0	0	109.7	G161 F162 S203	G159-G161 PolarHBondContact O-N 2.64Å; G159-F162 PolarHBondContact N-O 2.76Å; G159-F162 PolarHBondContact O-N 2.93Å; G159-S203 PolarHBondContact O-OG 3.04Å
160	D	97.9	Very high	97.2	Very high	88 Å²	88	32.4 Å²	32.4	47%	0.471	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	106.1	-179.8	-161.8	2.2	0	0	0	111	S203 R206	D160-S203 VanDerWaalsContact OD1-CB 3.22Å; D160-S203 WeakPolarHBondContact OD1-CB 3.24Å; D160-R206 IonicContact OD1-NH1 3.1Å
161	G	98.1	Very high	97.2	Very high	15 Å²	15	32.4 Å²	32.4	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	11.5	174.3	0	0	0	0	0	115.1	G159 T172 S173 S203	G159-G161 PolarHBondContact O-N 2.64Å; G161-T172 CarbonylContact O-C 3.49Å; G161-T172 VanDerWaalsContact O-CA 3.29Å; G161-T172 WeakPolarHBondContact O-CA 3.39Å; G161-S173 PolarHBondContact O-N 3.32Å; G161-S203 PolarHBondContact N-OG 2.87Å
162	F	98.2	Very high	97.1	Very high	49 Å²	49	34.7 Å²	34.7	22%	0.215	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	155.9	178.4	72.5	-89.2	0	0	0	114.7	G158 G159 K164 E170 V171 M204	G158-F162 WeakPolarHBondContact CA-O 3.49Å; G159-F162 PolarHBondContact N-O 2.76Å; G159-F162 PolarHBondContact O-N 2.93Å; F162-K164 HydrophobicContact CD2-CG 4.11Å; F162-K164 HydrophobicContact CE2-CD 4.36Å; F162-K164 HydrophobicContact CE2-CG 3.78Å; F162-E170 HydrophobicContact CB-CB 4.32Å; F162-E170 HydrophobicContact CD2-CB 4.3Å; F162-E170 HydrophobicContact CD2-CG 3.8Å; F162-E170 WeakPolarHBondContact CD2-OE1 3.47Å; F162-E170 HydrophobicContact CE2-CG 4.38Å; F162-E170 VanDerWaalsContact CE2-OE1 3.28Å; F162-E170 WeakPolarHBondContact CE2-OE1 3.48Å; F162-V171 VanDerWaalsContact CA-O 3.31Å; F162-V171 WeakPolarHBondContact CA-O 3.4Å; F162-M204 VanDerWaalsContact CA-SD 3.52Å
163	L	98.3	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.6	170.6	-178.3	76	0	0	0	109.4	T45 L154 H157 F165 E170 V171 T198 M204	T45-L163 HydrophobicContact CG2-CD2 3.73Å; T45-L163 HydrophobicContact CG2-CG 4.3Å; L154-L163 HydrophobicContact CB-CD2 3.91Å; L154-L163 HydrophobicContact CD1-CD2 4.13Å; H157-L163 WeakPolarHBondContact O-CD1 3.24Å; L163-F165 HydrophobicContact CD2-CE2 4.26Å; L163-E170 WeakPolarHBondContact O-CA 3.5Å; L163-V171 HydrophobicContact CB-CG1 3.88Å; L163-V171 PolarHBondContact N-O 3.26Å; L163-V171 PolarHBondContact O-N 3.17Å; L163-T198 HydrophobicContact CD1-CG2 4.02Å; L163-M204 HydrophobicContact CB-CE 4.06Å; L163-M204 HydrophobicContact CB-SD 4.13Å
164	K	97.8	Very high	97.1	Very high	77 Å²	77	38.6 Å²	38.6	34%	0.335	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.9	-179	-61.3	-172.6	175.1	-174	0	111.3	T45 H157 F162 E169 E170	T45-K164 WeakPolarHBondContact CB-O 3.13Å; T45-K164 PolarHBondContact OG1-O 3.44Å; H157-K164 HydrophobicContact CB-CD 4.45Å; H157-K164 WeakPolarHBondContact O-CB 3.45Å; H157-K164 PolarHBondContact O-N 3.04Å; F162-K164 HydrophobicContact CD2-CG 4.11Å; F162-K164 HydrophobicContact CE2-CD 4.36Å; F162-K164 HydrophobicContact CE2-CG 3.78Å; K164-E169 CarbonylContact C-O 3.56Å; K164-E169 WeakPolarHBondContact CA-O 3.38Å; K164-E170 WeakPolarHBondContact CE-OE1 3.29Å; K164-E170 HydrophobicContact CG-CG 4.01Å
165	F	97.9	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.6	167.6	-85.1	-114.8	0	0	0	109.1	V43 T45 V119 V121 F124 L163 D167 S168 E169 V171	V43-F165 HydrophobicContact CG1-CE1 4.22Å; V43-F165 HydrophobicContact CG1-CZ 4.13Å; T45-F165 HydrophobicContact CG2-CD1 4.24Å; T45-F165 HydrophobicContact CG2-CD2 3.81Å; T45-F165 HydrophobicContact CG2-CE1 3.94Å; T45-F165 HydrophobicContact CG2-CE2 3.44Å; T45-F165 VanDerWaalsContact CG2-CE2 3.44Å; T45-F165 HydrophobicContact CG2-CG 4.19Å; T45-F165 HydrophobicContact CG2-CZ 3.53Å; V119-F165 HydrophobicContact CG1-CD1 4.38Å; V119-F165 HydrophobicContact CG1-CE1 4.26Å; V119-F165 WeakPolarHBondContact O-CD1 3.43Å; V121-F165 HydrophobicContact CG2-CB 3.97Å; V121-F165 HydrophobicContact CG2-CD1 4.38Å; V121-F165 HydrophobicContact CG2-CD2 3.95Å; V121-F165 HydrophobicContact CG2-CG 3.85Å; F124-F165 HydrophobicContact CB-CE1 3.88Å; F124-F165 HydrophobicContact CB-CZ 3.9Å; F124-F165 AromaticContact CD1-CZ 3.9Å; F124-F165 HydrophobicContact CD1-CZ 3.9Å; F124-F165 HydrophobicContact CD2-CZ 4.37Å; F124-F165 HydrophobicContact CG-CE1 4.28Å; F124-F165 AromaticContact CG-CZ 3.79Å; F124-F165 HydrophobicContact CG-CZ 3.79Å; L163-F165 HydrophobicContact CD2-CE2 4.26Å; F165-D167 PolarHBondContact O-N 3.39Å; F165-D167 VanDerWaalsContact O-N 3.08Å; F165-S168 PolarHBondContact O-N 2.77Å; F165-S168 PolarHBondContact O-OG 3.4Å; F165-E169 HydrophobicContact CB-CB 4.18Å; F165-E169 PolarHBondContact N-O 3.41Å; F165-E169 PolarHBondContact O-N 3.24Å; F165-V171 HydrophobicContact CD2-CB 4.44Å; F165-V171 HydrophobicContact CD2-CG1 4.05Å; F165-V171 HydrophobicContact CE2-CB 4.13Å; F165-V171 HydrophobicContact CE2-CG1 3.53Å
166	Q	95.4	Very high	97.1	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.103	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	24.7	173.8	-48.3	-164.6	22.8	0	0	116.2	T45 R47 A80 G116 V119 S168	T45-Q166 PolarHBondContact O-N 2.85Å; R47-Q166 HydrophobicContact CG-CB 3.97Å; R47-Q166 HydrophobicContact CG-CG 3.99Å; A80-Q166 HydrophobicContact CB-CG 4.11Å; G116-Q166 PolarHBondContact O-NE2 2.8Å; V119-Q166 VanDerWaalsContact C-NE2 3.3Å; V119-Q166 PolarHBondContact O-NE2 2.99Å; Q166-S168 PolarHBondContact O-N 3.08Å
167	D	90.5	Very high	97.1	Very high	75 Å²	75	41.7 Å²	41.7	40%	0.401	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	16.2	-172.9	-58.9	-32.9	0	0	0	114.4	F48 F165	F48-D167 WeakPolarHBondContact CE2-OD2 3.48Å; F165-D167 PolarHBondContact O-N 3.39Å; F165-D167 VanDerWaalsContact O-N 3.08Å
168	S	91.9	Very high	97.2	Very high	94 Å²	94	42.6 Å²	42.6	66%	0.657	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.4	-30	-177.5	62.1	0	0	0	0	114.6	F165 Q166	F165-S168 PolarHBondContact O-N 2.77Å; F165-S168 PolarHBondContact O-OG 3.4Å; Q166-S168 PolarHBondContact O-N 3.08Å
169	E	95.9	Very high	97.3	Very high	88 Å²	88	41.9 Å²	41.9	41%	0.411	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.6	-179.3	-62.2	-179.5	162.8	0	0	109.9	N120 V121 K164 F165	N120-E169 WeakPolarHBondContact CB-OE2 3.48Å; V121-E169 HydrophobicContact CG2-CB 3.77Å; V121-E169 PolarHBondContact N-OE2 2.92Å; K164-E169 CarbonylContact C-O 3.56Å; K164-E169 WeakPolarHBondContact CA-O 3.38Å; F165-E169 HydrophobicContact CB-CB 4.18Å; F165-E169 PolarHBondContact N-O 3.41Å; F165-E169 PolarHBondContact O-N 3.24Å
170	E	97.4	Very high	97.4	Very high	93 Å²	93	41.6 Å²	41.6	44%	0.435	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.9	175.2	-69.9	177.4	172	0	0	108.7	F162 L163 K164	F162-E170 HydrophobicContact CB-CB 4.32Å; F162-E170 HydrophobicContact CD2-CB 4.3Å; F162-E170 HydrophobicContact CD2-CG 3.8Å; F162-E170 WeakPolarHBondContact CD2-OE1 3.47Å; F162-E170 HydrophobicContact CE2-CG 4.38Å; F162-E170 VanDerWaalsContact CE2-OE1 3.28Å; F162-E170 WeakPolarHBondContact CE2-OE1 3.48Å; L163-E170 WeakPolarHBondContact O-CA 3.5Å; K164-E170 WeakPolarHBondContact CE-OE1 3.29Å; K164-E170 HydrophobicContact CG-CG 4.01Å
171	V	98.3	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.2	162.6	66.1	0	0	0	0	107.7	V121 F124 I125 F162 L163 F165 D175 M204	V121-V171 HydrophobicContact CG1-CB 4.11Å; V121-V171 HydrophobicContact CG1-CG2 4.27Å; V121-V171 HydrophobicContact CG2-CB 4.25Å; F124-V171 HydrophobicContact CD1-CG2 4.42Å; F124-V171 HydrophobicContact CE1-CG2 4.33Å; I125-V171 HydrophobicContact CD1-CG2 4.26Å; F162-V171 VanDerWaalsContact CA-O 3.31Å; F162-V171 WeakPolarHBondContact CA-O 3.4Å; L163-V171 HydrophobicContact CB-CG1 3.88Å; L163-V171 PolarHBondContact N-O 3.26Å; L163-V171 PolarHBondContact O-N 3.17Å; F165-V171 HydrophobicContact CD2-CB 4.44Å; F165-V171 HydrophobicContact CD2-CG1 4.05Å; F165-V171 HydrophobicContact CE2-CB 4.13Å; F165-V171 HydrophobicContact CE2-CG1 3.53Å; V171-D175 HydrophobicContact CG2-CB 3.82Å; V171-M204 HydrophobicContact CG1-CE 4.31Å
172	T	98.4	Very high	97.4	Very high	49 Å²	49	40.5 Å²	40.5	30%	0.301	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	162.7	178.5	69.6	0	0	0	0	111.4	G161 V174 D175 L176	G161-T172 CarbonylContact O-C 3.49Å; G161-T172 VanDerWaalsContact O-CA 3.29Å; G161-T172 WeakPolarHBondContact O-CA 3.39Å; T172-V174 PolarHBondContact O-N 3.17Å; T172-V174 PolarHBondContact OG1-N 3.14Å; T172-D175 WeakPolarHBondContact CB-OD2 3.45Å; T172-D175 WeakPolarHBondContact CG2-OD2 3.35Å; T172-D175 PolarHBondContact N-OD2 3.4Å; T172-D175 PolarHBondContact O-N 2.89Å; T172-D175 PolarHBondContact OG1-N 3.07Å; T172-D175 VanDerWaalsContact OG1-N 3.07Å; T172-D175 PolarHBondContact OG1-OD2 2.93Å; T172-L176 PolarHBondContact O-N 3.07Å
173	S	98.4	Very high	97.5	Very high	14 Å²	14	38.2 Å²	38.2	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-33.1	171.1	55.1	0	0	0	0	112	G161 A177 S203 M204	G161-S173 PolarHBondContact O-N 3.32Å; S173-A177 WeakPolarHBondContact O-CB 3.29Å; S173-A177 PolarHBondContact O-N 2.61Å; S173-S203 WeakPolarHBondContact CB-O 3.47Å; S173-M204 WeakPolarHBondContact CB-O 3.5Å
174	V	98.6	Very high	97.5	Very high	70 Å²	70	41.4 Å²	41.4	42%	0.424	22%	0.216	S	C	.	.	H	α-helix	trans	-67.8	-48.5	175.3	-179.1	0	0	0	0	110.8	T172 L176 A177 D178 E207	T172-V174 PolarHBondContact O-N 3.17Å; T172-V174 PolarHBondContact OG1-N 3.14Å; V174-L176 VanDerWaalsContact C-N 3.26Å; V174-L176 PolarHBondContact O-N 2.86Å; V174-A177 WeakPolarHBondContact O-CB 3.41Å; V174-A177 PolarHBondContact O-N 2.57Å; V174-A177 VanDerWaalsContact O-N 3.15Å; V174-D178 PolarHBondContact O-N 3.43Å; V174-E207 HydrophobicContact CG2-CG 4.05Å
175	D	98.4	Very high	97.5	Very high	67 Å²	67	43.6 Å²	43.6	36%	0.358	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-40.4	177.8	-61.3	-51.1	0	0	0	111.5	I125 V171 T172 A179	I125-D175 HydrophobicContact CD1-CB 4.44Å; V171-D175 HydrophobicContact CG2-CB 3.82Å; T172-D175 WeakPolarHBondContact CB-OD2 3.45Å; T172-D175 WeakPolarHBondContact CG2-OD2 3.35Å; T172-D175 PolarHBondContact N-OD2 3.4Å; T172-D175 PolarHBondContact O-N 2.89Å; T172-D175 PolarHBondContact OG1-N 3.07Å; T172-D175 VanDerWaalsContact OG1-N 3.07Å; T172-D175 PolarHBondContact OG1-OD2 2.93Å; D175-A179 VanDerWaalsContact O-CB 3.31Å; D175-A179 WeakPolarHBondContact O-CB 3.5Å; D175-A179 PolarHBondContact O-N 2.87Å
176	L	98.7	Very high	97.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-43.6	177	-177.5	57.9	0	0	0	111.7	F124 L128 L154 T172 V174 A179 I180 L194 M204	F124-L176 HydrophobicContact CE1-CD1 4.16Å; F124-L176 HydrophobicContact CZ-CD1 4.13Å; L128-L176 HydrophobicContact CD1-CD1 4.14Å; L154-L176 HydrophobicContact CD1-CD2 4.28Å; T172-L176 PolarHBondContact O-N 3.07Å; V174-L176 VanDerWaalsContact C-N 3.26Å; V174-L176 PolarHBondContact O-N 2.86Å; L176-A179 PolarHBondContact O-N 2.77Å; L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.37Å; L176-I180 HydrophobicContact CG-CD1 4.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.41Å; L176-I180 PolarHBondContact O-N 3.11Å; L176-L194 HydrophobicContact CD2-CD2 3.95Å; L176-M204 HydrophobicContact CD2-CE 3.89Å
177	A	98.8	Very high	97.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-48.8	176.1	0	0	0	0	0	112	S173 V174 A179 I180 E181 E207 I208 Y209	S173-A177 WeakPolarHBondContact O-CB 3.29Å; S173-A177 PolarHBondContact O-N 2.61Å; V174-A177 WeakPolarHBondContact O-CB 3.41Å; V174-A177 PolarHBondContact O-N 2.57Å; V174-A177 VanDerWaalsContact O-N 3.15Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.11Å; A177-I180 PolarHBondContact O-N 2.7Å; A177-E181 PolarHBondContact O-N 2.81Å; A177-E207 VanDerWaalsContact CB-C 3.46Å; A177-E207 HydrophobicContact CB-CB 3.96Å; A177-E207 VanDerWaalsContact CB-O 3.23Å; A177-E207 WeakPolarHBondContact CB-O 3.47Å; A177-I208 HydrophobicContact CB-CG1 4.21Å; A177-Y209 HydrophobicContact CB-CE1 4.4Å
178	D	98.7	Very high	98	Very high	70 Å²	70	49.4 Å²	49.4	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-35.6	178.8	-75.7	-6.5	0	0	0	112.1	V174 Q182 Y209	V174-D178 PolarHBondContact O-N 3.43Å; D178-Q182 VanDerWaalsContact O-CG 3.28Å; D178-Q182 WeakPolarHBondContact O-CG 2.81Å; D178-Q182 PolarHBondContact O-N 3.33Å; D178-Q182 PolarHBondContact O-NE2 3.16Å; D178-Y209 PolarHBondContact OD1-OH 3.23Å
179	A	98.7	Very high	98.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-43.3	175.3	0	0	0	0	0	112.1	I125 L128 T129 D175 L176 A177 E181 Q182 M183	I125-A179 HydrophobicContact CD1-CB 3.74Å; I125-A179 HydrophobicContact CG2-CB 4.44Å; L128-A179 HydrophobicContact CB-CB 4.2Å; L128-A179 HydrophobicContact CD1-CB 3.95Å; T129-A179 HydrophobicContact CG2-CB 4.27Å; D175-A179 VanDerWaalsContact O-CB 3.31Å; D175-A179 WeakPolarHBondContact O-CB 3.5Å; D175-A179 PolarHBondContact O-N 2.87Å; L176-A179 PolarHBondContact O-N 2.77Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.11Å; A179-E181 VanDerWaalsContact C-N 3.32Å; A179-Q182 PolarHBondContact O-N 3.1Å; A179-M183 WeakPolarHBondContact O-CG 3.44Å; A179-M183 PolarHBondContact O-N 3.19Å
180	I	98.8	Very high	98.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-35.7	176	-69.5	170.3	0	0	0	110.8	L176 A177 M183 W184 L192 L194 I208 V213	L176-I180 HydrophobicContact CD1-CD1 3.99Å; L176-I180 HydrophobicContact CD1-CG1 4.37Å; L176-I180 HydrophobicContact CG-CD1 4.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.41Å; L176-I180 PolarHBondContact O-N 3.11Å; A177-I180 PolarHBondContact O-N 2.7Å; I180-M183 VanDerWaalsContact O-CB 3.29Å; I180-M183 WeakPolarHBondContact O-CB 3.32Å; I180-M183 PolarHBondContact O-N 3.4Å; I180-M183 VanDerWaalsContact O-N 3.16Å; I180-W184 PolarHBondContact O-N 2.8Å; I180-L192 HydrophobicContact CG1-CD1 4.43Å; I180-L192 HydrophobicContact CG2-CD1 4.3Å; I180-L194 HydrophobicContact CD1-CD2 4.35Å; I180-I208 HydrophobicContact CD1-CD1 3.62Å; I180-I208 HydrophobicContact CD1-CG1 4.26Å; I180-I208 HydrophobicContact CG2-CG2 4.33Å; I180-V213 HydrophobicContact CG2-CG2 3.83Å
181	E	98.7	Very high	98.4	Very high	28 Å²	28	38.7 Å²	38.7	13%	0.131	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-42.8	173.4	-179.6	62.8	-167.4	0	0	111.7	A177 A179 M183 W184 Q185 Y209 S210	A177-E181 PolarHBondContact O-N 2.81Å; A179-E181 VanDerWaalsContact C-N 3.32Å; E181-M183 PolarHBondContact O-N 2.72Å; E181-W184 WeakPolarHBondContact O-CB 3.29Å; E181-W184 PolarHBondContact O-N 2.67Å; E181-W184 VanDerWaalsContact O-N 3.08Å; E181-Q185 HydrophobicContact CG-CG 4.21Å; E181-Q185 WeakPolarHBondContact O-CG 3.22Å; E181-Q185 PolarHBondContact O-N 3.23Å; E181-Q185 WeakPolarHBondContact OE1-CG 3.39Å; E181-Q185 PolarHBondContact OE1-NE2 2.9Å; E181-Y209 HydrophobicContact CB-CE1 4.48Å; E181-Y209 HydrophobicContact CB-CE2 3.75Å; E181-Y209 WeakPolarHBondContact CB-OH 3.33Å; E181-Y209 HydrophobicContact CG-CD2 4.42Å; E181-Y209 HydrophobicContact CG-CE2 3.39Å; E181-Y209 WeakPolarHBondContact CG-OH 3.33Å; E181-Y209 WeakPolarHBondContact OE2-CE2 3.48Å; E181-S210 WeakPolarHBondContact CA-OG 3.19Å; E181-S210 WeakPolarHBondContact CB-OG 3.39Å; E181-S210 PolarHBondContact N-OG 2.99Å; E181-S210 WeakPolarHBondContact OE2-CA 3.45Å; E181-S210 VanDerWaalsContact OE2-CB 3.29Å; E181-S210 WeakPolarHBondContact OE2-CB 3.3Å; E181-S210 PolarHBondContact OE2-OG 3.3Å
182	Q	98.6	Very high	98.5	Very high	53 Å²	53	38.7 Å²	38.7	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-32.8	173.6	-74.3	176.9	67.2	0	0	112.6	T129 D178 A179 K186	T129-Q182 HydrophobicContact CG2-CB 3.98Å; D178-Q182 VanDerWaalsContact O-CG 3.28Å; D178-Q182 WeakPolarHBondContact O-CG 2.81Å; D178-Q182 PolarHBondContact O-N 3.33Å; D178-Q182 PolarHBondContact O-NE2 3.16Å; A179-Q182 PolarHBondContact O-N 3.1Å; Q182-K186 VanDerWaalsContact O-CB 3.22Å; Q182-K186 WeakPolarHBondContact O-CB 3.48Å; Q182-K186 WeakPolarHBondContact O-CG 3.42Å; Q182-K186 PolarHBondContact O-N 3.16Å; Q182-K186 VanDerWaalsContact O-N 3.14Å
183	M	98.7	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-45.8	171.1	-69.8	176.2	73.2	0	0	111.5	L128 L142 V150 A179 I180 E181 K186 N187 R188 Y189 L192	L128-M183 HydrophobicContact CB-SD 4.24Å; L128-M183 HydrophobicContact CD2-SD 3.78Å; L128-M183 WeakPolarHBondContact O-CG 2.8Å; L142-M183 HydrophobicContact CD2-CE 3.96Å; V150-M183 HydrophobicContact CG1-CE 4.26Å; V150-M183 HydrophobicContact CG2-CE 4.42Å; A179-M183 WeakPolarHBondContact O-CG 3.44Å; A179-M183 PolarHBondContact O-N 3.19Å; I180-M183 VanDerWaalsContact O-CB 3.29Å; I180-M183 WeakPolarHBondContact O-CB 3.32Å; I180-M183 PolarHBondContact O-N 3.4Å; I180-M183 VanDerWaalsContact O-N 3.16Å; E181-M183 PolarHBondContact O-N 2.72Å; M183-K186 CarbonylContact O-C 3.35Å; M183-K186 PolarHBondContact O-N 3.37Å; M183-N187 PolarHBondContact O-N 3.05Å; M183-R188 HydrophobicContact CB-CB 4.22Å; M183-R188 WeakPolarHBondContact O-CB 3.46Å; M183-R188 PolarHBondContact O-N 3.2Å; M183-Y189 HydrophobicContact CB-CD1 3.72Å; M183-Y189 HydrophobicContact CB-CE1 3.69Å; M183-Y189 HydrophobicContact CE-CD1 4.18Å; M183-L192 HydrophobicContact CE-CD1 3.99Å; M183-L192 HydrophobicContact SD-CD1 4.11Å
184	W	98.5	Very high	98.5	Very high	67 Å²	67	35.7 Å²	35.7	25%	0.254	17%	0.174	S	C	.	.	H	α-helix	trans	-61.3	-53.9	179.6	177	-116.1	0	0	0	111.4	I180 E181 K186 N187 Y189 P211 K212	I180-W184 PolarHBondContact O-N 2.8Å; E181-W184 WeakPolarHBondContact O-CB 3.29Å; E181-W184 PolarHBondContact O-N 2.67Å; E181-W184 VanDerWaalsContact O-N 3.08Å; W184-K186 PolarHBondContact O-N 3.26Å; W184-K186 VanDerWaalsContact O-N 3.17Å; W184-N187 PolarHBondContact O-N 3.43Å; W184-Y189 HydrophobicContact CB-CE1 3.95Å; W184-Y189 HydrophobicContact CE3-CD2 4.49Å; W184-Y189 HydrophobicContact CE3-CE1 4.4Å; W184-Y189 AromaticContact CE3-CE2 3.8Å; W184-Y189 HydrophobicContact CE3-CE2 3.8Å; W184-Y189 AromaticContact CE3-CZ 3.76Å; W184-Y189 HydrophobicContact CZ3-CE2 4.32Å; W184-P211 HydrophobicContact CD2-CG 3.62Å; W184-P211 HydrophobicContact CE3-CG 4.1Å; W184-P211 HydrophobicContact CG-CG 4.17Å; W184-P211 HydrophobicContact CH2-CG 3.88Å; W184-P211 HydrophobicContact CZ2-CG 3.36Å; W184-P211 HydrophobicContact CZ3-CG 4.22Å; W184-K212 HydrophobicContact CH2-CD 4.16Å; W184-K212 HydrophobicContact CZ3-CD 3.99Å; W184-K212 HydrophobicContact CZ3-CG 4.49Å
185	Q	98.3	Very high	98.5	Very high	123 Å²	123	32.4 Å²	32.4	58%	0.575	15%	0.154	S	C	*	.	H	α-helix	trans	-61.2	-28.3	-179.3	-65.8	-61	-30.4	0	0	112.9	E181	E181-Q185 HydrophobicContact CG-CG 4.21Å; E181-Q185 WeakPolarHBondContact O-CG 3.22Å; E181-Q185 PolarHBondContact O-N 3.23Å; E181-Q185 WeakPolarHBondContact OE1-CG 3.39Å; E181-Q185 PolarHBondContact OE1-NE2 2.9Å
186	K	98	Very high	98.5	Very high	96 Å²	96	29.2 Å²	29.2	42%	0.417	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10.8	176.4	-67.9	-179.7	172.4	-164.6	0	113.9	T129 Q182 M183 W184 R188	T129-K186 PolarHBondContact O-NZ 3.38Å; Q182-K186 VanDerWaalsContact O-CB 3.22Å; Q182-K186 WeakPolarHBondContact O-CB 3.48Å; Q182-K186 WeakPolarHBondContact O-CG 3.42Å; Q182-K186 PolarHBondContact O-N 3.16Å; Q182-K186 VanDerWaalsContact O-N 3.14Å; M183-K186 CarbonylContact O-C 3.35Å; M183-K186 PolarHBondContact O-N 3.37Å; W184-K186 PolarHBondContact O-N 3.26Å; W184-K186 VanDerWaalsContact O-N 3.17Å; K186-R188 VanDerWaalsContact C-N 3.34Å; K186-R188 HydrophobicContact CB-CG 3.85Å; K186-R188 PolarHBondContact O-N 2.82Å
187	N	97.9	Very high	98.5	Very high	101 Å²	101	29.2 Å²	29.2	54%	0.54	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	44.9	178.5	-71.4	-59.1	0	0	0	112.8	D145 H146 M183 W184	D145-N187 CarbonylContact C-O 3.35Å; D145-N187 VanDerWaalsContact CA-O 3.28Å; D145-N187 WeakPolarHBondContact CA-O 3.05Å; H146-N187 HydrophobicContact CB-CB 4.08Å; H146-N187 PolarHBondContact N-O 2.01Å; M183-N187 PolarHBondContact O-N 3.05Å; W184-N187 PolarHBondContact O-N 3.43Å
188	R	98.2	Very high	98.5	Very high	23 Å²	23	29.3 Å²	29.3	9%	0.087	14%	0.137	C	C	.	.			trans	-100.5	2	-174.8	-61.6	-170.5	68.4	-151.7	7.4	115	V127 L128 L142 S144 D145 M183 K186	V127-R188 PolarHBondContact O-NH1 2.72Å; V127-R188 VanDerWaalsContact O-NH1 3.11Å; V127-R188 PolarHBondContact O-NH2 3.38Å; V127-R188 VanDerWaalsContact O-NH2 3.11Å; L128-R188 PolarHBondContact O-NH1 3.22Å; L142-R188 PolarHBondContact O-NH2 3.13Å; S144-R188 CarbonylContact C-O 3.6Å; S144-R188 WeakPolarHBondContact CB-O 3.41Å; S144-R188 PolarHBondContact OG-O 3.35Å; D145-R188 CarbonylContact O-C 3.53Å; M183-R188 HydrophobicContact CB-CB 4.22Å; M183-R188 WeakPolarHBondContact O-CB 3.46Å; M183-R188 PolarHBondContact O-N 3.2Å; K186-R188 VanDerWaalsContact C-N 3.34Å; K186-R188 HydrophobicContact CB-CG 3.85Å; K186-R188 PolarHBondContact O-N 2.82Å
189	Y	98.4	Very high	98.4	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.016	13%	0.128	C	C	.	.			trans	-152.4	154.7	169.4	64.4	-92	0	0	0	111.5	D145 S148 M183 W184 L192 S210 P211 K212 V213	D145-Y189 CarbonylContact O-C 3.58Å; D145-Y189 WeakPolarHBondContact O-CA 3.39Å; D145-Y189 PolarHBondContact O-N 2.68Å; S148-Y189 CarbonylContact O-C 3.59Å; S148-Y189 WeakPolarHBondContact O-CA 3Å; M183-Y189 HydrophobicContact CB-CD1 3.72Å; M183-Y189 HydrophobicContact CB-CE1 3.69Å; M183-Y189 HydrophobicContact CE-CD1 4.18Å; W184-Y189 HydrophobicContact CB-CE1 3.95Å; W184-Y189 HydrophobicContact CE3-CD2 4.49Å; W184-Y189 HydrophobicContact CE3-CE1 4.4Å; W184-Y189 AromaticContact CE3-CE2 3.8Å; W184-Y189 HydrophobicContact CE3-CE2 3.8Å; W184-Y189 AromaticContact CE3-CZ 3.76Å; W184-Y189 HydrophobicContact CZ3-CE2 4.32Å; Y189-L192 HydrophobicContact CD1-CD1 4.16Å; Y189-L192 HydrophobicContact CD2-CB 3.95Å; Y189-L192 HydrophobicContact CE1-CD1 4.22Å; Y189-L192 HydrophobicContact CE2-CB 4.07Å; Y189-L192 HydrophobicContact CG-CB 4.23Å; Y189-L192 HydrophobicContact CG-CD1 4.48Å; Y189-S210 WeakPolarHBondContact OH-CB 3.34Å; Y189-P211 WeakPolarHBondContact CE2-O 3.25Å; Y189-P211 PolarHBondContact OH-O 3.45Å; Y189-P211 VanDerWaalsContact OH-O 3.05Å; Y189-K212 HydrophobicContact CE2-CB 4.31Å; Y189-V213 HydrophobicContact CE2-CG2 4.46Å
190	H	98	Very high	98.4	Very high	35 Å²	35	29.3 Å²	29.3	16%	0.162	14%	0.137	C	C	.	.	S	Bend	trans	-83.9	-56.1	164.9	177.7	72.4	0	0	0	110.3	T34 H35 H146 S148 N149 K212	T34-H190 PolarHBondContact O-CE1 3.1Å; T34-H190 PolarHBondContact O-NE2 2.97Å; H35-H190 HydrophobicContact CB-CB 4.42Å; H146-H190 WeakPolarHBondContact O-CA 3.36Å; H146-H190 WeakPolarHBondContact O-CB 3.48Å; S148-H190 PolarHBondContact O-N 2.92Å; N149-H190 WeakPolarHBondContact OD1-CB 3.33Å; N149-H190 PolarHBondContact OD1-CD2 2.92Å; H190-K212 WeakPolarHBondContact O-CD 3.46Å
191	E	98.1	Very high	98.4	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.051	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.8	172.7	-67.7	175.1	176.1	0	0	109.5	N149 V150 K212 Y284 R286 F296	N149-E191 VanDerWaalsContact CA-O 3.31Å; N149-E191 WeakPolarHBondContact CA-O 3.16Å; N149-E191 PolarHBondContact OD1-N 2.86Å; V150-E191 PolarHBondContact N-O 3.32Å; E191-K212 WeakPolarHBondContact CA-O 3.37Å; E191-K212 HydrophobicContact CG-CB 4.35Å; E191-Y284 HydrophobicContact CB-CE2 4.1Å; E191-Y284 HydrophobicContact CG-CE2 3.91Å; E191-Y284 PolarHBondContact OE2-OH 3.13Å; E191-R286 WeakPolarHBondContact OE1-CD 3.31Å; E191-R286 IonicContact OE1-CZ 3.71Å; E191-R286 IonicContact OE1-NE 3.06Å; E191-R286 IonicContact OE1-NH1 3.86Å; E191-R286 PolarHBondContact OE1-NH1 2.83Å; E191-R286 IonicContact OE2-NH1 3.29Å; E191-R286 PolarHBondContact OE2-NH1 3.41Å; E191-F296 HydrophobicContact CB-CE1 4.01Å; E191-F296 HydrophobicContact CB-CZ 3.77Å
192	L	98.7	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.7	-178.6	-171.3	153.2	0	0	0	110.7	V150 I152 I180 M183 Y189 L194 K212 V213 I214	V150-L192 HydrophobicContact CB-CG 4.48Å; V150-L192 CarbonylContact O-C 3.5Å; V150-L192 WeakPolarHBondContact O-CA 3.24Å; I152-L192 HydrophobicContact CD1-CD1 3.87Å; I152-L192 HydrophobicContact CD1-CD2 4.2Å; I152-L192 HydrophobicContact CD1-CG 4.29Å; I180-L192 HydrophobicContact CG1-CD1 4.43Å; I180-L192 HydrophobicContact CG2-CD1 4.3Å; M183-L192 HydrophobicContact CE-CD1 3.99Å; M183-L192 HydrophobicContact SD-CD1 4.11Å; Y189-L192 HydrophobicContact CD1-CD1 4.16Å; Y189-L192 HydrophobicContact CD2-CB 3.95Å; Y189-L192 HydrophobicContact CE1-CD1 4.22Å; Y189-L192 HydrophobicContact CE2-CB 4.07Å; Y189-L192 HydrophobicContact CG-CB 4.23Å; Y189-L192 HydrophobicContact CG-CD1 4.48Å; L192-L194 HydrophobicContact CD2-CB 3.94Å; L192-K212 PolarHBondContact N-O 3.32Å; L192-V213 HydrophobicContact CB-CG2 4.26Å; L192-V213 HydrophobicContact CD2-CG1 3.92Å; L192-V213 WeakPolarHBondContact O-CA 3.19Å; L192-I214 PolarHBondContact O-N 3.01Å
193	L	98.8	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.5	170.3	171.2	59.9	0	0	0	108.9	V150 L151 I152 V195 I214 V216 L261 F264 F296 F297	V150-L193 PolarHBondContact O-N 3.05Å; L151-L193 WeakPolarHBondContact CA-O 3.43Å; L151-L193 HydrophobicContact CD1-CB 4.38Å; L151-L193 HydrophobicContact CD1-CD2 3.89Å; L151-L193 HydrophobicContact CD1-CG 3.93Å; I152-L193 PolarHBondContact N-O 2.67Å; L193-V195 HydrophobicContact CD1-CG2 4.07Å; L193-V195 HydrophobicContact CD2-CG2 4.3Å; L193-V195 HydrophobicContact CG-CG2 3.94Å; L193-I214 WeakPolarHBondContact CA-O 3.17Å; L193-I214 HydrophobicContact CB-CG2 4.27Å; L193-I214 HydrophobicContact CD1-CG2 3.88Å; L193-V216 HydrophobicContact CD1-CG1 4.48Å; L193-L261 HydrophobicContact CD2-CD1 3.93Å; L193-F264 HydrophobicContact CD2-CE1 4.38Å; L193-F296 HydrophobicContact CB-CB 4.34Å; L193-F296 HydrophobicContact CB-CD1 3.41Å; L193-F296 VanDerWaalsContact CB-CD1 3.41Å; L193-F296 HydrophobicContact CB-CD2 4.2Å; L193-F296 HydrophobicContact CB-CE1 3.63Å; L193-F296 HydrophobicContact CB-CE2 4.38Å; L193-F296 HydrophobicContact CB-CG 3.72Å; L193-F296 HydrophobicContact CB-CZ 4.11Å; L193-F296 HydrophobicContact CD2-CB 3.84Å; L193-F296 HydrophobicContact CD2-CD1 4.43Å; L193-F296 HydrophobicContact CD2-CD2 4.16Å; L193-F296 HydrophobicContact CD2-CG 3.89Å; L193-F296 HydrophobicContact CG-CG 4.47Å; L193-F297 HydrophobicContact CD2-CD2 4.47Å; L193-F297 HydrophobicContact CD2-CE2 3.63Å; L193-F297 HydrophobicContact CD2-CZ 4.25Å
194	L	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.9	173.9	176.7	63.8	0	0	0	109.8	I152 L154 L176 I180 L192 V196 I208 I214 A215 V216	I152-L194 HydrophobicContact CB-CD1 3.86Å; I152-L194 HydrophobicContact CG2-CD1 3.74Å; L154-L194 HydrophobicContact CD1-CD1 4.19Å; L154-L194 HydrophobicContact CG-CD1 4.38Å; L176-L194 HydrophobicContact CD2-CD2 3.95Å; I180-L194 HydrophobicContact CD1-CD2 4.35Å; L192-L194 HydrophobicContact CD2-CB 3.94Å; L194-V196 HydrophobicContact CD1-CG2 4Å; L194-V196 HydrophobicContact CD2-CG2 4.17Å; L194-V196 HydrophobicContact CG-CG2 3.82Å; L194-I208 HydrophobicContact CD2-CD1 3.64Å; L194-I214 PolarHBondContact N-O 3.4Å; L194-A215 HydrophobicContact CB-CB 4.02Å; L194-A215 HydrophobicContact CD2-CB 4.29Å; L194-A215 HydrophobicContact CG-CB 4.44Å; L194-A215 CarbonylContact O-C 3.59Å; L194-A215 VanDerWaalsContact O-CA 3.24Å; L194-A215 WeakPolarHBondContact O-CA 3.49Å; L194-V216 PolarHBondContact O-N 3.01Å
195	V	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.4	176.7	-178.4	0	0	0	0	108.4	L151 I152 Y153 L154 L193 V216 Y242 F264	L151-V195 HydrophobicContact CD1-CG2 3.93Å; I152-V195 PolarHBondContact O-N 2.9Å; Y153-V195 WeakPolarHBondContact CA-O 3.29Å; Y153-V195 HydrophobicContact CD2-CB 3.85Å; Y153-V195 HydrophobicContact CD2-CG1 3.61Å; Y153-V195 HydrophobicContact CE2-CG1 3.85Å; L154-V195 PolarHBondContact N-O 2.71Å; L193-V195 HydrophobicContact CD1-CG2 4.07Å; L193-V195 HydrophobicContact CD2-CG2 4.3Å; L193-V195 HydrophobicContact CG-CG2 3.94Å; V195-V216 WeakPolarHBondContact CA-O 3.45Å; V195-V216 HydrophobicContact CB-CG1 4.12Å; V195-V216 HydrophobicContact CG1-CG1 4.07Å; V195-V216 HydrophobicContact CG2-CG1 3.72Å; V195-Y242 HydrophobicContact CG1-CE1 3.63Å; V195-Y242 WeakPolarHBondContact CG1-OH 3.47Å; V195-F264 HydrophobicContact CG2-CE1 4.12Å; V195-F264 HydrophobicContact CG2-CZ 4.35Å
196	V	98.7	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.7	-178.4	-166.9	0	0	0	0	109.7	L154 L194 T198 A201 M204 V216 G217 S218	L154-V196 HydrophobicContact CB-CG1 4.43Å; L194-V196 HydrophobicContact CD1-CG2 4Å; L194-V196 HydrophobicContact CD2-CG2 4.17Å; L194-V196 HydrophobicContact CG-CG2 3.82Å; V196-T198 HydrophobicContact CG1-CG2 3.58Å; V196-A201 HydrophobicContact CB-CB 4.2Å; V196-A201 HydrophobicContact CG1-CB 4.17Å; V196-A201 WeakPolarHBondContact O-CB 3.47Å; V196-M204 HydrophobicContact CG1-CB 4.31Å; V196-M204 HydrophobicContact CG1-CG 4.05Å; V196-M204 HydrophobicContact CG2-CB 4.3Å; V196-V216 PolarHBondContact N-O 3.19Å; V196-G217 WeakPolarHBondContact O-CA 3.34Å; V196-S218 PolarHBondContact O-N 2.61Å
197	D	98.4	Very high	98.2	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	91.3	174.1	-166	2.4	0	0	0	111.2	Y153 L154 T155 G156 S218 S225 Y242 T243	Y153-D197 HydrophobicContact CE2-CB 4.28Å; L154-D197 PolarHBondContact O-N 3.01Å; T155-D197 WeakPolarHBondContact CA-O 3.16Å; T155-D197 PolarHBondContact OG1-O 2.91Å; G156-D197 PolarHBondContact N-O 2.86Å; D197-S218 WeakPolarHBondContact CA-OG 3.07Å; D197-S218 WeakPolarHBondContact OD1-CB 3.35Å; D197-S218 PolarHBondContact OD1-OG 2.87Å; D197-S225 PolarHBondContact OD1-OG 3.48Å; D197-Y242 HydrophobicContact CB-CD1 3.94Å; D197-T243 PolarHBondContact OD2-N 3.49Å; D197-T243 PolarHBondContact OD2-OG1 3.27Å
198	T	98.2	Very high	98.3	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	8%	0.081	C	C	.	.	S	Bend	trans	-159.4	172.1	-177.7	-170.3	0	0	0	0	110.9	G156 H157 G158 L163 V196 A201 S218 S219 S225	G156-T198 PolarHBondContact O-OG1 2.96Å; G156-T198 VanDerWaalsContact O-OG1 3.09Å; H157-T198 VanDerWaalsContact C-OG1 3.26Å; G158-T198 WeakPolarHBondContact CA-OG1 3.4Å; G158-T198 PolarHBondContact N-OG1 3.12Å; L163-T198 HydrophobicContact CD1-CG2 4.02Å; V196-T198 HydrophobicContact CG1-CG2 3.58Å; T198-A201 HydrophobicContact CG2-CB 3.87Å; T198-A201 WeakPolarHBondContact O-CB 3.39Å; T198-S218 PolarHBondContact N-OG 3.39Å; T198-S218 VanDerWaalsContact N-OG 3.12Å; T198-S218 PolarHBondContact O-OG 3.24Å; T198-S219 PolarHBondContact O-OG 2.79Å; T198-S225 VanDerWaalsContact C-CB 3.48Å; T198-S225 VanDerWaalsContact O-CB 3.23Å; T198-S225 WeakPolarHBondContact O-CB 3.4Å
199	C	97.7	Very high	98.3	Very high	25 Å²	25	23 Å²	23	17%	0.169	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	138.9	170.1	-57.8	0	0	0	0	110.5	A201 S225	C199-A201 PolarHBondContact O-N 2.64Å; C199-S225 PolarHBondContact SG-N 3.05Å
200	Q	98	Very high	98.3	Very high	45 Å²	45	22.8 Å²	22.8	21%	0.21	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	34.9	-176.3	-50	-170.3	57.1	0	0	114.1	A202 S203 S219 L220 E223	Q200-A202 PolarHBondContact O-N 3Å; Q200-A202 VanDerWaalsContact O-N 3.09Å; Q200-S203 WeakPolarHBondContact O-CB 3.29Å; Q200-S203 PolarHBondContact O-N 2.77Å; Q200-S203 PolarHBondContact O-OG 3.19Å; Q200-S219 PolarHBondContact N-OG 3.22Å; Q200-L220 WeakPolarHBondContact CA-O 3.38Å; Q200-E223 PolarHBondContact N-O 3.06Å
201	A	98.2	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54.5	-34.3	-172.4	0	0	0	0	0	113.7	V196 T198 C199 S203 M204 S219	V196-A201 HydrophobicContact CB-CB 4.2Å; V196-A201 HydrophobicContact CG1-CB 4.17Å; V196-A201 WeakPolarHBondContact O-CB 3.47Å; T198-A201 HydrophobicContact CG2-CB 3.87Å; T198-A201 WeakPolarHBondContact O-CB 3.39Å; C199-A201 PolarHBondContact O-N 2.64Å; A201-S203 PolarHBondContact O-N 3.41Å; A201-S203 VanDerWaalsContact O-N 3.16Å; A201-M204 WeakPolarHBondContact O-CB 3.23Å; A201-M204 PolarHBondContact O-N 2.7Å; A201-M204 VanDerWaalsContact O-N 3.08Å; A201-S219 PolarHBondContact N-O 2.53Å; A201-S219 PolarHBondContact N-OG 3.28Å; A201-S219 VanDerWaalsContact N-OG 3.07Å
202	A	98	Very high	98.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-59	-26.2	179	0	0	0	0	0	113.9	Q200 M204 Y205 R206 S219 L220 D278	Q200-A202 PolarHBondContact O-N 3Å; Q200-A202 VanDerWaalsContact O-N 3.09Å; A202-M204 VanDerWaalsContact C-N 3.29Å; A202-M204 PolarHBondContact O-N 3.49Å; A202-Y205 VanDerWaalsContact CA-CZ 3.47Å; A202-Y205 WeakPolarHBondContact CA-OH 3.41Å; A202-Y205 HydrophobicContact CB-CE2 4.41Å; A202-Y205 WeakPolarHBondContact O-CD2 3.34Å; A202-Y205 WeakPolarHBondContact O-CE2 3.33Å; A202-R206 WeakPolarHBondContact O-CG 3.31Å; A202-S219 WeakPolarHBondContact CB-O 3.48Å; A202-S219 PolarHBondContact N-O 3.49Å; A202-L220 HydrophobicContact CB-CD2 4.28Å; A202-D278 HydrophobicContact CB-CB 3.93Å
203	S	98.2	Very high	98.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-65.7	-30.1	176.6	65.4	0	0	0	0	113.3	G159 D160 G161 S173 Q200 A201 Y205 R206	G159-S203 PolarHBondContact O-OG 3.04Å; D160-S203 VanDerWaalsContact OD1-CB 3.22Å; D160-S203 WeakPolarHBondContact OD1-CB 3.24Å; G161-S203 PolarHBondContact N-OG 2.87Å; S173-S203 WeakPolarHBondContact CB-O 3.47Å; Q200-S203 WeakPolarHBondContact O-CB 3.29Å; Q200-S203 PolarHBondContact O-N 2.77Å; Q200-S203 PolarHBondContact O-OG 3.19Å; A201-S203 PolarHBondContact O-N 3.41Å; A201-S203 VanDerWaalsContact O-N 3.16Å; S203-Y205 VanDerWaalsContact C-N 3.27Å; S203-Y205 PolarHBondContact O-N 3.13Å; S203-R206 PolarHBondContact O-N 3.42Å
204	M	98.5	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-65.6	-28.2	-171.1	-74.7	-56.4	-57.4	0	0	113.8	F162 L163 V171 S173 L176 V196 A201 A202	F162-M204 VanDerWaalsContact CA-SD 3.52Å; L163-M204 HydrophobicContact CB-CE 4.06Å; L163-M204 HydrophobicContact CB-SD 4.13Å; V171-M204 HydrophobicContact CG1-CE 4.31Å; S173-M204 WeakPolarHBondContact CB-O 3.5Å; L176-M204 HydrophobicContact CD2-CE 3.89Å; V196-M204 HydrophobicContact CG1-CB 4.31Å; V196-M204 HydrophobicContact CG1-CG 4.05Å; V196-M204 HydrophobicContact CG2-CB 4.3Å; A201-M204 WeakPolarHBondContact O-CB 3.23Å; A201-M204 PolarHBondContact O-N 2.7Å; A201-M204 VanDerWaalsContact O-N 3.08Å; A202-M204 VanDerWaalsContact C-N 3.29Å; A202-M204 PolarHBondContact O-N 3.49Å
205	Y	98.1	Very high	98.3	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.012	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-108.2	8.1	-178.1	50.9	-110	0	0	0	113.8	A202 S203 E207 I208 A215 D278 R280	A202-Y205 VanDerWaalsContact CA-CZ 3.47Å; A202-Y205 WeakPolarHBondContact CA-OH 3.41Å; A202-Y205 HydrophobicContact CB-CE2 4.41Å; A202-Y205 WeakPolarHBondContact O-CD2 3.34Å; A202-Y205 WeakPolarHBondContact O-CE2 3.33Å; S203-Y205 VanDerWaalsContact C-N 3.27Å; S203-Y205 PolarHBondContact O-N 3.13Å; Y205-E207 VanDerWaalsContact C-N 3.34Å; Y205-E207 PolarHBondContact O-N 3.19Å; Y205-I208 PolarHBondContact O-N 3.04Å; Y205-A215 HydrophobicContact CD1-CB 3.58Å; Y205-A215 HydrophobicContact CD2-CB 4.16Å; Y205-A215 HydrophobicContact CE1-CB 4.15Å; Y205-A215 HydrophobicContact CG-CB 3.56Å; Y205-D278 VanDerWaalsContact OH-C 3.24Å; Y205-D278 WeakPolarHBondContact OH-CB 3.43Å; Y205-D278 PolarHBondContact OH-O 3.45Å; Y205-D278 PolarHBondContact OH-OD2 3.39Å; Y205-D278 VanDerWaalsContact OH-OD2 3.05Å; Y205-R280 HydrophobicContact CD2-CB 3.68Å; Y205-R280 HydrophobicContact CD2-CG 4.37Å; Y205-R280 HydrophobicContact CE2-CB 3.67Å; Y205-R280 PolarHBondContact O-NH1 3.31Å
206	R	96.8	Very high	98.3	Very high	124 Å²	124	25.7 Å²	25.7	47%	0.468	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38.9	179.5	-73.9	-179.8	176.2	172.8	-6.9	113	D160 A202 S203 I208 V221 R280	D160-R206 IonicContact OD1-NH1 3.1Å; A202-R206 WeakPolarHBondContact O-CG 3.31Å; S203-R206 PolarHBondContact O-N 3.42Å; R206-I208 VanDerWaalsContact C-N 3.31Å; R206-I208 PolarHBondContact O-N 3.03Å; R206-V221 VanDerWaalsContact NH2-CB 3.34Å; R206-R280 PolarHBondContact O-NH1 2.76Å
207	E	98.2	Very high	98.3	Very high	103 Å²	103	25.7 Å²	25.7	48%	0.481	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.2	-176.9	-57.7	-53.5	136.7	0	0	113	V174 A177 Y205 Y209	V174-E207 HydrophobicContact CG2-CG 4.05Å; A177-E207 VanDerWaalsContact CB-C 3.46Å; A177-E207 HydrophobicContact CB-CB 3.96Å; A177-E207 VanDerWaalsContact CB-O 3.23Å; A177-E207 WeakPolarHBondContact CB-O 3.47Å; Y205-E207 VanDerWaalsContact C-N 3.34Å; Y205-E207 PolarHBondContact O-N 3.19Å; E207-Y209 VanDerWaalsContact O-CD1 3.31Å; E207-Y209 WeakPolarHBondContact O-CD1 3.35Å; E207-Y209 PolarHBondContact O-N 3.46Å
208	I	98.6	Very high	98.3	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	12%	0.116	C	C	.	.			trans	-63.6	135.6	178	-59.1	177.3	0	0	0	109.5	A177 I180 L194 Y205 R206 V213 R280 L283	A177-I208 HydrophobicContact CB-CG1 4.21Å; I180-I208 HydrophobicContact CD1-CD1 3.62Å; I180-I208 HydrophobicContact CD1-CG1 4.26Å; I180-I208 HydrophobicContact CG2-CG2 4.33Å; L194-I208 HydrophobicContact CD2-CD1 3.64Å; Y205-I208 PolarHBondContact O-N 3.04Å; R206-I208 VanDerWaalsContact C-N 3.31Å; R206-I208 PolarHBondContact O-N 3.03Å; I208-V213 HydrophobicContact CD1-CG1 4.46Å; I208-V213 HydrophobicContact CG2-CB 4.4Å; I208-V213 HydrophobicContact CG2-CG1 4.25Å; I208-V213 HydrophobicContact CG2-CG2 4.32Å; I208-R280 PolarHBondContact O-NH1 3.48Å; I208-R280 PolarHBondContact O-NH2 2.87Å; I208-L283 HydrophobicContact CB-CD1 4.17Å; I208-L283 HydrophobicContact CG2-CD1 3.69Å; I208-L283 WeakPolarHBondContact O-CD1 3.43Å
209	Y	98.4	Very high	98.3	Very high	124 Å²	124	25.5 Å²	25.5	49%	0.486	12%	0.116	S	C	.	.			trans	-132.1	-0.1	178.6	57	-92.4	0	0	0	113.4	A177 D178 E181 E207	A177-Y209 HydrophobicContact CB-CE1 4.4Å; D178-Y209 PolarHBondContact OD1-OH 3.23Å; E181-Y209 HydrophobicContact CB-CE1 4.48Å; E181-Y209 HydrophobicContact CB-CE2 3.75Å; E181-Y209 WeakPolarHBondContact CB-OH 3.33Å; E181-Y209 HydrophobicContact CG-CD2 4.42Å; E181-Y209 HydrophobicContact CG-CE2 3.39Å; E181-Y209 WeakPolarHBondContact CG-OH 3.33Å; E181-Y209 WeakPolarHBondContact OE2-CE2 3.48Å; E207-Y209 VanDerWaalsContact O-CD1 3.31Å; E207-Y209 WeakPolarHBondContact O-CD1 3.35Å; E207-Y209 PolarHBondContact O-N 3.46Å
210	S	98.4	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.			trans	-75.4	141.4	178.9	-45.4	0	0	0	0	111.8	E181 Y189 V213	E181-S210 WeakPolarHBondContact CA-OG 3.19Å; E181-S210 WeakPolarHBondContact CB-OG 3.39Å; E181-S210 PolarHBondContact N-OG 2.99Å; E181-S210 WeakPolarHBondContact OE2-CA 3.45Å; E181-S210 VanDerWaalsContact OE2-CB 3.29Å; E181-S210 WeakPolarHBondContact OE2-CB 3.3Å; E181-S210 PolarHBondContact OE2-OG 3.3Å; Y189-S210 WeakPolarHBondContact OH-CB 3.34Å; S210-V213 WeakPolarHBondContact O-CG2 3.46Å
211	P	98.4	Very high	98.2	Very high	42 Å²	42	27 Å²	27	27%	0.273	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	163.7	-178.3	34	-37.8	0	0	0	112	W184 Y189 V213 L283	W184-P211 HydrophobicContact CD2-CG 3.62Å; W184-P211 HydrophobicContact CE3-CG 4.1Å; W184-P211 HydrophobicContact CG-CG 4.17Å; W184-P211 HydrophobicContact CH2-CG 3.88Å; W184-P211 HydrophobicContact CZ2-CG 3.36Å; W184-P211 HydrophobicContact CZ3-CG 4.22Å; Y189-P211 WeakPolarHBondContact CE2-O 3.25Å; Y189-P211 PolarHBondContact OH-O 3.45Å; Y189-P211 VanDerWaalsContact OH-O 3.05Å; P211-V213 PolarHBondContact O-N 2.83Å; P211-L283 CarbonylContact C-O 3.47Å
212	K	98.2	Very high	98.1	Very high	59 Å²	59	30.2 Å²	30.2	26%	0.257	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	27.9	178.6	-49.6	-177.5	-176.8	176.7	0	114.2	W184 Y189 H190 E191 L192 L283	W184-K212 HydrophobicContact CH2-CD 4.16Å; W184-K212 HydrophobicContact CZ3-CD 3.99Å; W184-K212 HydrophobicContact CZ3-CG 4.49Å; Y189-K212 HydrophobicContact CE2-CB 4.31Å; H190-K212 WeakPolarHBondContact O-CD 3.46Å; E191-K212 WeakPolarHBondContact CA-O 3.37Å; E191-K212 HydrophobicContact CG-CB 4.35Å; L192-K212 PolarHBondContact N-O 3.32Å; K212-L283 WeakPolarHBondContact CA-O 3.29Å; K212-L283 PolarHBondContact N-O 2.83Å
213	V	98.7	Very high	98.1	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.8	172.9	-179.3	0	0	0	0	109.2	I180 Y189 L192 I208 S210 P211 L283	I180-V213 HydrophobicContact CG2-CG2 3.83Å; Y189-V213 HydrophobicContact CE2-CG2 4.46Å; L192-V213 HydrophobicContact CB-CG2 4.26Å; L192-V213 HydrophobicContact CD2-CG1 3.92Å; L192-V213 WeakPolarHBondContact O-CA 3.19Å; I208-V213 HydrophobicContact CD1-CG1 4.46Å; I208-V213 HydrophobicContact CG2-CB 4.4Å; I208-V213 HydrophobicContact CG2-CG1 4.25Å; I208-V213 HydrophobicContact CG2-CG2 4.32Å; S210-V213 WeakPolarHBondContact O-CG2 3.46Å; P211-V213 PolarHBondContact O-N 2.83Å; V213-L283 HydrophobicContact CB-CB 4.45Å; V213-L283 CarbonylContact O-C 3.6Å; V213-L283 WeakPolarHBondContact O-CB 3.45Å
214	I	98.7	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.4	164.5	-174.7	161.7	0	0	0	108.4	L192 L193 L194 L261 L265 V279 R281 Y284 P288	L192-I214 PolarHBondContact O-N 3.01Å; L193-I214 WeakPolarHBondContact CA-O 3.17Å; L193-I214 HydrophobicContact CB-CG2 4.27Å; L193-I214 HydrophobicContact CD1-CG2 3.88Å; L194-I214 PolarHBondContact N-O 3.4Å; I214-L261 HydrophobicContact CD1-CD2 4.04Å; I214-L261 HydrophobicContact CG2-CD2 4.12Å; I214-L265 HydrophobicContact CD1-CD1 3.64Å; I214-L265 HydrophobicContact CG1-CD1 4.49Å; I214-V279 HydrophobicContact CG1-CG1 4.46Å; I214-R281 HydrophobicContact CD1-CG 4.41Å; I214-Y284 HydrophobicContact CB-CD1 4.2Å; I214-Y284 HydrophobicContact CB-CD2 3.98Å; I214-Y284 HydrophobicContact CB-CG 3.78Å; I214-Y284 HydrophobicContact CD1-CD1 3.98Å; I214-Y284 HydrophobicContact CD1-CE1 4.43Å; I214-Y284 HydrophobicContact CD1-CG 4.38Å; I214-Y284 HydrophobicContact CG2-CD2 4.09Å; I214-Y284 HydrophobicContact CG2-CE2 4.25Å; I214-Y284 HydrophobicContact CG2-CG 4.29Å; I214-P288 HydrophobicContact CD1-CB 4.29Å; I214-P288 HydrophobicContact CD1-CG 3.56Å
215	A	98.7	Very high	97.8	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.2	-177.1	0	0	0	0	0	111.5	L194 Y205 V279 R280	L194-A215 HydrophobicContact CB-CB 4.02Å; L194-A215 HydrophobicContact CD2-CB 4.29Å; L194-A215 HydrophobicContact CG-CB 4.44Å; L194-A215 CarbonylContact O-C 3.59Å; L194-A215 VanDerWaalsContact O-CA 3.24Å; L194-A215 WeakPolarHBondContact O-CA 3.49Å; Y205-A215 HydrophobicContact CD1-CB 3.58Å; Y205-A215 HydrophobicContact CD2-CB 4.16Å; Y205-A215 HydrophobicContact CE1-CB 4.15Å; Y205-A215 HydrophobicContact CG-CB 3.56Å; A215-V279 CarbonylContact O-C 3.51Å; A215-V279 VanDerWaalsContact O-CA 3.26Å; A215-V279 WeakPolarHBondContact O-CA 3.34Å; A215-V279 WeakPolarHBondContact O-CG1 3.38Å; A215-R280 HydrophobicContact CB-CB 4.27Å; A215-R280 PolarHBondContact N-O 2.89Å; A215-R280 PolarHBondContact O-N 3.43Å
216	V	98.7	Very high	97.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.5	174.3	55.9	0	0	0	0	110.1	L193 L194 V195 V196 Y242 L265 V277 D278 V279	L193-V216 HydrophobicContact CD1-CG1 4.48Å; L194-V216 PolarHBondContact O-N 3.01Å; V195-V216 WeakPolarHBondContact CA-O 3.45Å; V195-V216 HydrophobicContact CB-CG1 4.12Å; V195-V216 HydrophobicContact CG1-CG1 4.07Å; V195-V216 HydrophobicContact CG2-CG1 3.72Å; V196-V216 PolarHBondContact N-O 3.19Å; V216-Y242 HydrophobicContact CG2-CE2 4.31Å; V216-L265 HydrophobicContact CB-CD2 3.67Å; V216-L265 HydrophobicContact CG1-CD2 3.86Å; V216-L265 HydrophobicContact CG2-CD2 4.19Å; V216-V277 HydrophobicContact CG2-CG1 3.53Å; V216-D278 CarbonylContact C-O 3.59Å; V216-D278 VanDerWaalsContact CA-O 3.31Å; V216-D278 WeakPolarHBondContact CA-O 3.47Å; V216-V279 HydrophobicContact CB-CG2 4.08Å; V216-V279 HydrophobicContact CG2-CG2 3.78Å
217	G	98.4	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.6	179.1	0	0	0	0	0	110.8	V196 S219 V277 D278	V196-G217 WeakPolarHBondContact O-CA 3.34Å; G217-S219 PolarHBondContact O-N 2.71Å; G217-V277 WeakPolarHBondContact O-CA 3.26Å; G217-D278 PolarHBondContact N-O 2.95Å; G217-D278 PolarHBondContact O-N 3.1Å; G217-D278 VanDerWaalsContact O-N 3.1Å
218	S	98.4	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-72	-11.9	-179.1	60.5	0	0	0	0	115.2	V196 D197 T198 S225 Y242 S275	V196-S218 PolarHBondContact O-N 2.61Å; D197-S218 WeakPolarHBondContact CA-OG 3.07Å; D197-S218 WeakPolarHBondContact OD1-CB 3.35Å; D197-S218 PolarHBondContact OD1-OG 2.87Å; T198-S218 PolarHBondContact N-OG 3.39Å; T198-S218 VanDerWaalsContact N-OG 3.12Å; T198-S218 PolarHBondContact O-OG 3.24Å; S218-S225 WeakPolarHBondContact OG-CB 3.47Å; S218-S225 PolarHBondContact OG-OG 3.18Å; S218-Y242 VanDerWaalsContact CB-CB 3.45Å; S218-S275 WeakPolarHBondContact O-CB 3.47Å; S218-S275 PolarHBondContact O-OG 3.01Å
219	S	98.2	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-152.4	150.5	-177.1	54.8	0	0	0	0	112	T198 Q200 A201 A202 G217 T276	T198-S219 PolarHBondContact O-OG 2.79Å; Q200-S219 PolarHBondContact N-OG 3.22Å; A201-S219 PolarHBondContact N-O 2.53Å; A201-S219 PolarHBondContact N-OG 3.28Å; A201-S219 VanDerWaalsContact N-OG 3.07Å; A202-S219 WeakPolarHBondContact CB-O 3.48Å; A202-S219 PolarHBondContact N-O 3.49Å; G217-S219 PolarHBondContact O-N 2.71Å; S219-T276 CarbonylContact C-O 3.5Å; S219-T276 VanDerWaalsContact CA-O 3.31Å; S219-T276 WeakPolarHBondContact CA-O 3.48Å
220	L	97.7	Very high	96.3	Very high	57 Å²	57	35.2 Å²	35.2	30%	0.298	20%	0.203	S	C	.	.			trans	-76.9	165.6	170	-78	174.3	0	0	0	111.6	Q200 A202 G222 E223 T276 D278	Q200-L220 WeakPolarHBondContact CA-O 3.38Å; A202-L220 HydrophobicContact CB-CD2 4.28Å; L220-G222 PolarHBondContact O-N 2.8Å; L220-E223 HydrophobicContact CB-CG 4.23Å; L220-E223 PolarHBondContact N-OE2 3.24Å; L220-E223 VanDerWaalsContact N-OE2 3.14Å; L220-E223 WeakPolarHBondContact O-CB 3.34Å; L220-E223 PolarHBondContact O-N 3.05Å; L220-T276 HydrophobicContact CD1-CG2 3.6Å; L220-T276 HydrophobicContact CG-CG2 4Å; L220-T276 PolarHBondContact N-O 3.22Å; L220-D278 HydrophobicContact CD2-CB 3.64Å; L220-D278 HydrophobicContact CG-CB 4.43Å
221	V	97	Very high	95.9	Very high	44 Å²	44	35.6 Å²	35.6	27%	0.267	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131.8	169.2	173.3	0	0	0	0	110.1	R206	R206-V221 VanDerWaalsContact NH2-CB 3.34Å
222	G	96.4	Very high	95.5	Very high	68 Å²	68	39.1 Å²	39.1	70%	0.701	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	-1.3	-169.4	0	0	0	0	0	115.5	L220	L220-G222 PolarHBondContact O-N 2.8Å
223	E	97.2	Very high	94.9	Very high	57 Å²	57	39.5 Å²	39.5	27%	0.266	24%	0.24	S	C	.	.			trans	-113	147.5	175.2	-63.4	-179.8	163.1	0	0	112.1	Q200 L220 T276	Q200-E223 PolarHBondContact N-O 3.06Å; L220-E223 HydrophobicContact CB-CG 4.23Å; L220-E223 PolarHBondContact N-OE2 3.24Å; L220-E223 VanDerWaalsContact N-OE2 3.14Å; L220-E223 WeakPolarHBondContact O-CB 3.34Å; L220-E223 PolarHBondContact O-N 3.05Å; E223-T276 PolarHBondContact OE1-OG1 3.13Å; E223-T276 WeakPolarHBondContact OE2-CA 3.25Å; E223-T276 VanDerWaalsContact OE2-CB 3.29Å; E223-T276 WeakPolarHBondContact OE2-CB 3.36Å; E223-T276 PolarHBondContact OE2-N 3.35Å; E223-T276 PolarHBondContact OE2-OG1 3.31Å
224	D	95.4	Very high	94.5	Very high	105 Å²	105	40 Å²	40	56%	0.561	24%	0.243	S	C	*	.			trans	-85.5	148.1	170.5	-65.1	-29.9	0	0	0	110.7	L226 S275	D224-L226 HydrophobicContact CB-CD2 4.44Å; D224-S275 WeakPolarHBondContact O-CB 3.11Å
225	S	95	Very high	94.2	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	27%	0.271	C	S	.	.			trans	-88	138.7	160.1	-178.9	0	0	0	0	108.8	D197 T198 C199 S218	D197-S225 PolarHBondContact OD1-OG 3.48Å; T198-S225 VanDerWaalsContact C-CB 3.48Å; T198-S225 VanDerWaalsContact O-CB 3.23Å; T198-S225 WeakPolarHBondContact O-CB 3.4Å; C199-S225 PolarHBondContact SG-N 3.05Å; S218-S225 WeakPolarHBondContact OG-CB 3.47Å; S218-S225 PolarHBondContact OG-OG 3.18Å
226	L	95.1	Very high	94	Very high	68 Å²	68	43.3 Å²	43.3	36%	0.356	27%	0.274	S	S	.	.			trans	-113.2	144	-168	-68.4	173.3	0	0	0	112.1	D224 R241 H274	D224-L226 HydrophobicContact CB-CD2 4.44Å; L226-R241 VanDerWaalsContact O-CB 3.3Å; L226-R241 WeakPolarHBondContact O-CB 3.29Å; L226-R241 VanDerWaalsContact O-CG 3.23Å; L226-R241 WeakPolarHBondContact O-CG 3.37Å; L226-R241 PolarHBondContact O-N 3.3Å; L226-H274 HydrophobicContact CD1-CB 3.56Å
227	S	95	Very high	93.9	Very high	26 Å²	26	48.2 Å²	48.2	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	155	172.2	56.1	0	0	0	0	112	Y237 D240 R241	S227-Y237 VanDerWaalsContact OG-CD1 3.23Å; S227-Y237 WeakPolarHBondContact OG-CD1 3.46Å; S227-Y237 WeakPolarHBondContact OG-CD2 3.38Å; S227-Y237 WeakPolarHBondContact OG-CE1 3.38Å; S227-D240 WeakPolarHBondContact CA-OD1 3.32Å; S227-R241 WeakPolarHBondContact O-CG 3.1Å; S227-R241 PolarHBondContact O-NE 3.3Å; S227-R241 VanDerWaalsContact O-NE 3.13Å
228	H	90.6	Very high	93.7	Very high	43 Å²	43	48.2 Å²	48.2	20%	0.199	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-72.5	-176.3	-161.7	-60.6	0	0	0	113.6	I239 R241 F244 Y245	H228-I239 HydrophobicContact CB-CG2 4.14Å; H228-I239 PolarHBondContact N-O 3.25Å; H228-R241 HydrophobicContact CB-CB 4.44Å; H228-R241 HydrophobicContact CB-CG 3.63Å; H228-F244 AromaticContact CD2-CD1 3.86Å; H228-F244 AromaticContact NE2-CD1 3.96Å; H228-Y245 AromaticContact CD2-CE2 3.88Å; H228-Y245 AromaticContact NE2-CZ 3.88Å; H228-Y245 PolarHBondContact NE2-OH 2.95Å
229	H	88.5	Confident	93.6	Very high	44 Å²	44	48.2 Å²	48.2	20%	0.204	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.9	-172.2	-68.9	84.8	0	0	0	111	Y237 I238 I239 F244	H229-Y237 CarbonylContact O-C 3.12Å; H229-Y237 WeakPolarHBondContact O-CA 3.08Å; H229-Y237 WeakPolarHBondContact O-CD1 3.48Å; H229-I238 HydrophobicContact CB-CD1 3.94Å; H229-I238 HydrophobicContact CB-CG1 3.63Å; H229-I238 PolarHBondContact O-N 2.97Å; H229-I239 HydrophobicContact CB-CG2 4.25Å; H229-F244 AromaticContact CE1-CD2 3.61Å; H229-F244 AromaticContact CE1-CE2 3.3Å; H229-F244 WeakPolarHBondContact CE1-CE2 3.25Å; H229-F244 AromaticContact CE1-CZ 3.66Å; H229-F244 AromaticContact ND1-CD2 3.89Å
230	I	90.8	Very high	93.6	Very high	104 Å²	104	48.5 Å²	48.5	53%	0.533	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	164.8	-170	168.6	0	0	0	109.1	Y237	I230-Y237 HydrophobicContact CB-CD1 4.22Å; I230-Y237 HydrophobicContact CB-CE1 4.23Å
231	D	90	Very high	93.6	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	109.9	167.8	-176.8	-30.7	0	0	0	108.3	K101 S233 L234 G235 V236 I238	K101-D231 WeakPolarHBondContact CE-OD2 3.24Å; K101-D231 IonicContact NZ-OD1 3.72Å; K101-D231 IonicContact NZ-OD2 2.68Å; K101-D231 PolarHBondContact NZ-OD2 3.23Å; D231-S233 PolarHBondContact O-N 3.32Å; D231-S233 WeakPolarHBondContact OD1-CA 3.33Å; D231-S233 VanDerWaalsContact OD1-CB 3.32Å; D231-S233 WeakPolarHBondContact OD1-CB 3.44Å; D231-S233 PolarHBondContact OD1-N 3.3Å; D231-S233 PolarHBondContact OD1-OG 2.99Å; D231-S233 PolarHBondContact OD2-OG 3.14Å; D231-L234 HydrophobicContact CB-CB 4.07Å; D231-L234 HydrophobicContact CB-CD1 4Å; D231-L234 HydrophobicContact CB-CG 4.02Å; D231-L234 CarbonylContact O-C 3.58Å; D231-L234 PolarHBondContact O-N 2.85Å; D231-L234 PolarHBondContact OD1-N 3Å; D231-G235 PolarHBondContact O-N 3.16Å; D231-V236 PolarHBondContact N-O 2.89Å; D231-I238 HydrophobicContact CB-CD1 4.35Å; D231-I238 HydrophobicContact CB-CG2 3.5Å; D231-I238 VanDerWaalsContact CB-CG2 3.5Å
232	S	88.2	Confident	93.6	Very high	117 Å²	117	46.1 Å²	46.1	82%	0.818	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.2	-178.8	58.5	0	0	0	0	113.3
233	S	86.7	Confident	93.7	Very high	66 Å²	66	42.9 Å²	42.9	46%	0.462	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-26	175.7	70.4	0	0	0	0	113.1	K101 D231	K101-S233 PolarHBondContact NZ-OG 2.88Å; D231-S233 PolarHBondContact O-N 3.32Å; D231-S233 WeakPolarHBondContact OD1-CA 3.33Å; D231-S233 VanDerWaalsContact OD1-CB 3.32Å; D231-S233 WeakPolarHBondContact OD1-CB 3.44Å; D231-S233 PolarHBondContact OD1-N 3.3Å; D231-S233 PolarHBondContact OD1-OG 2.99Å; D231-S233 PolarHBondContact OD2-OG 3.14Å
234	L	91.1	Very high	93.7	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.073	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-21.8	175.1	-57.7	179.2	0	0	0	112.6	W49 Y52 P90 D231 V236 I238	W49-L234 HydrophobicContact CH2-CD2 4Å; W49-L234 HydrophobicContact CZ2-CB 3.96Å; W49-L234 HydrophobicContact CZ2-CD2 3.81Å; W49-L234 HydrophobicContact CZ2-CG 4.38Å; W49-L234 PolarHBondContact NE1-O 3.03Å; Y52-L234 HydrophobicContact CD2-CD1 4.44Å; Y52-L234 HydrophobicContact CE1-CD1 4.07Å; Y52-L234 HydrophobicContact CE2-CD1 3.86Å; P90-L234 HydrophobicContact CG-CD2 3.66Å; D231-L234 HydrophobicContact CB-CB 4.07Å; D231-L234 HydrophobicContact CB-CD1 4Å; D231-L234 HydrophobicContact CB-CG 4.02Å; D231-L234 CarbonylContact O-C 3.58Å; D231-L234 PolarHBondContact O-N 2.85Å; D231-L234 PolarHBondContact OD1-N 3Å; L234-V236 VanDerWaalsContact C-N 3.27Å; L234-V236 HydrophobicContact CB-CG2 3.84Å; L234-V236 PolarHBondContact O-N 2.9Å; L234-I238 HydrophobicContact CD1-CG2 3.85Å
235	G	92.4	Very high	93.7	Very high	57 Å²	57	38.9 Å²	38.9	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	17.1	-177.6	0	0	0	0	0	114.2	D231	D231-G235 PolarHBondContact O-N 3.16Å
236	V	94.5	Very high	93.9	Very high	15 Å²	15	38.1 Å²	38.1	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	163.4	-173.8	-62.9	0	0	0	0	111.5	W49 Y52 D231 L234	W49-V236 HydrophobicContact CG-CG1 4.46Å; Y52-V236 HydrophobicContact CG-CG2 4.16Å; D231-V236 PolarHBondContact N-O 2.89Å; L234-V236 VanDerWaalsContact C-N 3.27Å; L234-V236 HydrophobicContact CB-CG2 3.84Å; L234-V236 PolarHBondContact O-N 2.9Å
237	Y	95.2	Very high	93.9	Very high	104 Å²	104	35.3 Å²	35.3	41%	0.408	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139.1	168.1	-68.6	-81.7	0	0	0	110.9	R53 S227 H229 I230	R53-Y237 WeakPolarHBondContact CB-O 3.41Å; R53-Y237 PolarHBondContact N-O 2.93Å; S227-Y237 VanDerWaalsContact OG-CD1 3.23Å; S227-Y237 WeakPolarHBondContact OG-CD1 3.46Å; S227-Y237 WeakPolarHBondContact OG-CD2 3.38Å; S227-Y237 WeakPolarHBondContact OG-CE1 3.38Å; H229-Y237 CarbonylContact O-C 3.12Å; H229-Y237 WeakPolarHBondContact O-CA 3.08Å; H229-Y237 WeakPolarHBondContact O-CD1 3.48Å; I230-Y237 HydrophobicContact CB-CD1 4.22Å; I230-Y237 HydrophobicContact CB-CE1 4.23Å
238	I	95	Very high	93.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-10	-170.6	64.5	173.7	0	0	0	115.2	Y52 A56 N98 H229 D231 L234	Y52-I238 HydrophobicContact CD1-CB 4.14Å; Y52-I238 HydrophobicContact CD1-CG2 4.02Å; Y52-I238 HydrophobicContact CE1-CB 4.03Å; Y52-I238 HydrophobicContact CE1-CG2 3.92Å; A56-I238 WeakPolarHBondContact CB-O 3.22Å; N98-I238 VanDerWaalsContact C-CD1 3.46Å; H229-I238 HydrophobicContact CB-CD1 3.94Å; H229-I238 HydrophobicContact CB-CG1 3.63Å; H229-I238 PolarHBondContact O-N 2.97Å; D231-I238 HydrophobicContact CB-CD1 4.35Å; D231-I238 HydrophobicContact CB-CG2 3.5Å; D231-I238 VanDerWaalsContact CB-CG2 3.5Å; L234-I238 HydrophobicContact CD1-CG2 3.85Å
239	I	96.5	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	149.5	176.4	-167	168.4	0	0	0	109.9	N57 N97 H228 H229 T243 F244 L247	N57-I239 VanDerWaalsContact OD1-CG1 3.29Å; N57-I239 WeakPolarHBondContact OD1-CG1 3.22Å; N97-I239 HydrophobicContact CB-CB 4.28Å; N97-I239 HydrophobicContact CB-CD1 3.79Å; N97-I239 HydrophobicContact CB-CG1 4.39Å; H228-I239 HydrophobicContact CB-CG2 4.14Å; H228-I239 PolarHBondContact N-O 3.25Å; H229-I239 HydrophobicContact CB-CG2 4.25Å; I239-T243 HydrophobicContact CD1-CG2 4.06Å; I239-T243 HydrophobicContact CG1-CG2 4.19Å; I239-F244 HydrophobicContact CD1-CB 3.9Å; I239-F244 HydrophobicContact CD1-CD2 4.28Å; I239-F244 HydrophobicContact CG1-CB 4.26Å; I239-F244 HydrophobicContact CG2-CB 4.2Å; I239-F244 HydrophobicContact CG2-CD2 4.25Å; I239-L247 HydrophobicContact CD1-CD1 3.52Å
240	D	97.5	Very high	94.7	Very high	5 Å²	5	35 Å²	35	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	152.9	170.4	-67.7	-54.2	0	0	0	113.1	R53 H54 N57 S227 T243 F244	R53-D240 WeakPolarHBondContact CD-OD1 3.48Å; R53-D240 IonicContact NE-OD1 2.84Å; R53-D240 PolarHBondContact NE-OD1 3.07Å; R53-D240 IonicContact NE-OD2 3.79Å; H54-D240 IonicContact CD2-OD2 2.6Å; H54-D240 PolarHBondContact CD2-OD2 3.34Å; H54-D240 IonicContact NE2-OD2 2.88Å; N57-D240 PolarHBondContact ND2-OD2 3.43Å; N57-D240 PolarHBondContact OD1-N 2.88Å; S227-D240 WeakPolarHBondContact CA-OD1 3.32Å; D240-T243 PolarHBondContact O-N 2.95Å; D240-F244 WeakPolarHBondContact O-CB 3.5Å; D240-F244 PolarHBondContact O-N 3.48Å
241	R	97	Very high	94.9	Very high	51 Å²	51	35.1 Å²	35.1	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-50.1	-173.7	-73.7	-177.5	173.5	-94.5	-0.4	112	L226 S227 H228 T243 F244 Y245 K272 C273 H274	L226-R241 VanDerWaalsContact O-CB 3.3Å; L226-R241 WeakPolarHBondContact O-CB 3.29Å; L226-R241 VanDerWaalsContact O-CG 3.23Å; L226-R241 WeakPolarHBondContact O-CG 3.37Å; L226-R241 PolarHBondContact O-N 3.3Å; S227-R241 WeakPolarHBondContact O-CG 3.1Å; S227-R241 PolarHBondContact O-NE 3.3Å; S227-R241 VanDerWaalsContact O-NE 3.13Å; H228-R241 HydrophobicContact CB-CB 4.44Å; H228-R241 HydrophobicContact CB-CG 3.63Å; R241-T243 VanDerWaalsContact C-N 3.33Å; R241-T243 PolarHBondContact O-N 3.44Å; R241-F244 WeakPolarHBondContact O-CB 3.48Å; R241-F244 PolarHBondContact O-N 2.94Å; R241-Y245 WeakPolarHBondContact O-CD2 3.22Å; R241-Y245 PolarHBondContact O-N 3.11Å; R241-Y245 VanDerWaalsContact O-N 3.1Å; R241-K272 PolarHBondContact NH1-O 2.92Å; R241-C273 VanDerWaalsContact CD-O 3.24Å; R241-C273 WeakPolarHBondContact CD-O 3.41Å; R241-H274 PolarHBondContact NH1-CD2 3.03Å; R241-H274 PolarHBondContact NH1-NE2 3.45Å
242	Y	98.2	Very high	95.2	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-51.3	178.7	173.2	-93.5	0	0	0	110.7	V195 D197 V216 S218 F244 Y245 A246 C268 V277	V195-Y242 HydrophobicContact CG1-CE1 3.63Å; V195-Y242 WeakPolarHBondContact CG1-OH 3.47Å; D197-Y242 HydrophobicContact CB-CD1 3.94Å; V216-Y242 HydrophobicContact CG2-CE2 4.31Å; S218-Y242 VanDerWaalsContact CB-CB 3.45Å; Y242-F244 VanDerWaalsContact C-N 3.34Å; Y242-F244 PolarHBondContact O-N 2.82Å; Y242-Y245 PolarHBondContact O-N 2.98Å; Y242-A246 HydrophobicContact CE1-CB 4.42Å; Y242-A246 WeakPolarHBondContact O-CB 3.38Å; Y242-A246 PolarHBondContact O-N 3.35Å; Y242-C268 HydrophobicContact CD2-CB 4.02Å; Y242-V277 HydrophobicContact CD2-CG2 3.78Å; Y242-V277 HydrophobicContact CE2-CG1 4.2Å; Y242-V277 HydrophobicContact CE2-CG2 4.06Å
243	T	97.7	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-45.6	176.5	-60.6	0	0	0	0	112.5	N57 Y153 D197 I239 D240 R241 Y245 A246 L247	N57-T243 HydrophobicContact CB-CG2 3.82Å; Y153-T243 PolarHBondContact OH-OG1 2.84Å; D197-T243 PolarHBondContact OD2-N 3.49Å; D197-T243 PolarHBondContact OD2-OG1 3.27Å; I239-T243 HydrophobicContact CD1-CG2 4.06Å; I239-T243 HydrophobicContact CG1-CG2 4.19Å; D240-T243 PolarHBondContact O-N 2.95Å; R241-T243 VanDerWaalsContact C-N 3.33Å; R241-T243 PolarHBondContact O-N 3.44Å; T243-Y245 VanDerWaalsContact C-N 3.33Å; T243-Y245 PolarHBondContact O-N 3.39Å; T243-A246 PolarHBondContact O-N 3.31Å; T243-L247 HydrophobicContact CG2-CD1 3.96Å; T243-L247 HydrophobicContact CG2-CG 4.18Å; T243-L247 VanDerWaalsContact O-CG 3.22Å; T243-L247 WeakPolarHBondContact O-CG 3.24Å; T243-L247 PolarHBondContact O-N 3.01Å
244	F	96.6	Very high	96	Very high	47 Å²	47	33 Å²	33	21%	0.206	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-47.2	178.7	177.2	-97	0	0	0	112.3	H228 H229 I239 D240 R241 Y242 L247 E248	H228-F244 AromaticContact CD2-CD1 3.86Å; H228-F244 AromaticContact NE2-CD1 3.96Å; H229-F244 AromaticContact CE1-CD2 3.61Å; H229-F244 AromaticContact CE1-CE2 3.3Å; H229-F244 WeakPolarHBondContact CE1-CE2 3.25Å; H229-F244 AromaticContact CE1-CZ 3.66Å; H229-F244 AromaticContact ND1-CD2 3.89Å; I239-F244 HydrophobicContact CD1-CB 3.9Å; I239-F244 HydrophobicContact CD1-CD2 4.28Å; I239-F244 HydrophobicContact CG1-CB 4.26Å; I239-F244 HydrophobicContact CG2-CB 4.2Å; I239-F244 HydrophobicContact CG2-CD2 4.25Å; D240-F244 WeakPolarHBondContact O-CB 3.5Å; D240-F244 PolarHBondContact O-N 3.48Å; R241-F244 WeakPolarHBondContact O-CB 3.48Å; R241-F244 PolarHBondContact O-N 2.94Å; Y242-F244 VanDerWaalsContact C-N 3.34Å; Y242-F244 PolarHBondContact O-N 2.82Å; F244-L247 PolarHBondContact O-N 3.38Å; F244-E248 PolarHBondContact O-N 3.3Å
245	Y	97.2	Very high	96	Very high	31 Å²	31	38.3 Å²	38.3	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-75.7	-30.6	179.7	-69.9	-64.2	0	0	0	113.3	H228 R241 Y242 T243 L247 E248 F249 C268 K272	H228-Y245 AromaticContact CD2-CE2 3.88Å; H228-Y245 AromaticContact NE2-CZ 3.88Å; H228-Y245 PolarHBondContact NE2-OH 2.95Å; R241-Y245 WeakPolarHBondContact O-CD2 3.22Å; R241-Y245 PolarHBondContact O-N 3.11Å; R241-Y245 VanDerWaalsContact O-N 3.1Å; Y242-Y245 PolarHBondContact O-N 2.98Å; T243-Y245 VanDerWaalsContact C-N 3.33Å; T243-Y245 PolarHBondContact O-N 3.39Å; Y245-L247 VanDerWaalsContact C-N 3.33Å; Y245-E248 WeakPolarHBondContact CD1-OE2 3.47Å; Y245-E248 PolarHBondContact O-N 3.39Å; Y245-F249 PolarHBondContact O-N 3.01Å; Y245-C268 WeakPolarHBondContact CD2-SG 3.49Å; Y245-K272 HydrophobicContact CD1-CB 4.4Å; Y245-K272 HydrophobicContact CD1-CD 3.58Å; Y245-K272 HydrophobicContact CD1-CG 4.23Å; Y245-K272 HydrophobicContact CD2-CB 3.84Å; Y245-K272 HydrophobicContact CE1-CB 4.11Å; Y245-K272 HydrophobicContact CE1-CD 3.44Å; Y245-K272 VanDerWaalsContact CE1-CD 3.44Å; Y245-K272 HydrophobicContact CE1-CG 3.73Å; Y245-K272 HydrophobicContact CE2-CB 3.53Å; Y245-K272 HydrophobicContact CE2-CD 4.42Å; Y245-K272 HydrophobicContact CE2-CG 4.06Å; Y245-K272 WeakPolarHBondContact CE2-O 3.31Å; Y245-K272 HydrophobicContact CG-CB 4.27Å; Y245-K272 HydrophobicContact CG-CD 4.11Å
246	A	97.9	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-41.8	169.6	0	0	0	0	0	111.3	M61 Y242 T243 F249 L250 F264 C267	M61-A246 HydrophobicContact CE-CB 4.18Å; Y242-A246 HydrophobicContact CE1-CB 4.42Å; Y242-A246 WeakPolarHBondContact O-CB 3.38Å; Y242-A246 PolarHBondContact O-N 3.35Å; T243-A246 PolarHBondContact O-N 3.31Å; A246-F249 PolarHBondContact O-N 3.36Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 VanDerWaalsContact O-CG 3.29Å; A246-L250 WeakPolarHBondContact O-CG 2.93Å; A246-L250 PolarHBondContact O-N 2.99Å; A246-F264 HydrophobicContact CB-CE2 4.09Å; A246-C267 VanDerWaalsContact CA-SG 3.58Å
247	L	96.1	Very high	95.9	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-40.5	174.9	-64	169	0	0	0	112.4	S60 M61 S64 I239 T243 F244 Y245 F249 L250 N251	S60-L247 WeakPolarHBondContact O-CD2 3.5Å; M61-L247 HydrophobicContact SD-CD2 4.43Å; S64-L247 WeakPolarHBondContact OG-CD2 3.37Å; I239-L247 HydrophobicContact CD1-CD1 3.52Å; T243-L247 HydrophobicContact CG2-CD1 3.96Å; T243-L247 HydrophobicContact CG2-CG 4.18Å; T243-L247 VanDerWaalsContact O-CG 3.22Å; T243-L247 WeakPolarHBondContact O-CG 3.24Å; T243-L247 PolarHBondContact O-N 3.01Å; F244-L247 PolarHBondContact O-N 3.38Å; Y245-L247 VanDerWaalsContact C-N 3.33Å; L247-F249 PolarHBondContact O-N 2.69Å; L247-L250 PolarHBondContact O-N 3.1Å; L247-N251 VanDerWaalsContact O-CB 3.3Å; L247-N251 WeakPolarHBondContact O-CB 3.46Å; L247-N251 PolarHBondContact O-N 3.14Å; L247-N251 PolarHBondContact O-ND2 3.01Å
248	E	95.3	Very high	95.8	Very high	91 Å²	91	42 Å²	42	43%	0.425	22%	0.217	S	C	.	.	H	α-helix	trans	-53.5	-46.6	173.1	-169.9	-169.7	155	0	0	110	F244 Y245 K272	F244-E248 PolarHBondContact O-N 3.3Å; Y245-E248 WeakPolarHBondContact CD1-OE2 3.47Å; Y245-E248 PolarHBondContact O-N 3.39Å; E248-K272 IonicContact OE1-NZ 2.76Å; E248-K272 IonicContact OE2-NZ 3.13Å; E248-K272 PolarHBondContact OE2-NZ 3.1Å
249	F	97.8	Very high	95.9	Very high	16 Å²	16	46.2 Å²	46.2	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-53.7	174.1	176	-88	0	0	0	112.3	Y245 A246 L247 N251 T252 V253 R259 E263 F264 C267 V293	Y245-F249 PolarHBondContact O-N 3.01Å; A246-F249 PolarHBondContact O-N 3.36Å; L247-F249 PolarHBondContact O-N 2.69Å; F249-N251 PolarHBondContact O-N 3.42Å; F249-T252 WeakPolarHBondContact O-CB 3.37Å; F249-T252 PolarHBondContact O-N 3.41Å; F249-T252 PolarHBondContact O-OG1 3.02Å; F249-V253 HydrophobicContact CD1-CG2 4.23Å; F249-V253 HydrophobicContact CE1-CG2 3.78Å; F249-V253 HydrophobicContact CZ-CG2 4.32Å; F249-R259 HydrophobicContact CZ-CB 4.07Å; F249-E263 HydrophobicContact CE2-CB 3.47Å; F249-E263 VanDerWaalsContact CE2-CB 3.47Å; F249-E263 HydrophobicContact CZ-CB 3.81Å; F249-F264 HydrophobicContact CD1-CB 4.04Å; F249-F264 AromaticContact CD1-CD2 3.75Å; F249-F264 HydrophobicContact CD1-CD2 3.75Å; F249-F264 HydrophobicContact CD1-CG 4.4Å; F249-F264 HydrophobicContact CE1-CB 3.59Å; F249-F264 HydrophobicContact CE1-CD2 4.06Å; F249-F264 HydrophobicContact CE1-CG 4.32Å; F249-F264 HydrophobicContact CZ-CB 4Å; F249-C267 HydrophobicContact CB-CB 3.79Å; F249-C267 HydrophobicContact CG-CB 4.24Å; F249-V293 HydrophobicContact CE1-CB 4.39Å; F249-V293 HydrophobicContact CE1-CG1 4.37Å; F249-V293 HydrophobicContact CE1-CG2 4.11Å
250	L	97.4	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-32.3	-175.8	-72.6	170.1	0	0	0	111.9	M61 R67 A246 L247 T252 V253 F264 V293 F297	M61-L250 HydrophobicContact SD-CD1 3.94Å; R67-L250 VanDerWaalsContact NH2-C 3.34Å; R67-L250 PolarHBondContact NH2-O 2.69Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 VanDerWaalsContact O-CG 3.29Å; A246-L250 WeakPolarHBondContact O-CG 2.93Å; A246-L250 PolarHBondContact O-N 2.99Å; L247-L250 PolarHBondContact O-N 3.1Å; L250-T252 PolarHBondContact O-N 3.45Å; L250-V253 VanDerWaalsContact O-CB 3.29Å; L250-V253 WeakPolarHBondContact O-CB 3.22Å; L250-V253 PolarHBondContact O-N 2.74Å; L250-F264 HydrophobicContact CD1-CE2 4.21Å; L250-F264 HydrophobicContact CD2-CD2 4.26Å; L250-F264 HydrophobicContact CD2-CE2 4.35Å; L250-F264 HydrophobicContact CG-CD2 4.37Å; L250-F264 HydrophobicContact CG-CE2 4.21Å; L250-V293 HydrophobicContact CD2-CG2 4.15Å; L250-F297 HydrophobicContact CD1-CD1 4.02Å; L250-F297 HydrophobicContact CD1-CE1 3.76Å; L250-F297 HydrophobicContact CD1-CZ 4.42Å; L250-F297 HydrophobicContact CD2-CB 4.44Å; L250-F297 HydrophobicContact CD2-CD1 3.84Å; L250-F297 HydrophobicContact CD2-CD2 4.27Å; L250-F297 HydrophobicContact CD2-CE1 4.11Å; L250-F297 HydrophobicContact CD2-CE2 4.5Å; L250-F297 HydrophobicContact CD2-CG 3.93Å; L250-F297 HydrophobicContact CD2-CZ 4.44Å
251	N	95	Very high	96	Very high	105 Å²	105	47.2 Å²	47.2	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-63	-23.5	175.2	-75.2	-26.4	0	0	0	113.2	L247 F249 V253	L247-N251 VanDerWaalsContact O-CB 3.3Å; L247-N251 WeakPolarHBondContact O-CB 3.46Å; L247-N251 PolarHBondContact O-N 3.14Å; L247-N251 PolarHBondContact O-ND2 3.01Å; F249-N251 PolarHBondContact O-N 3.42Å; N251-V253 VanDerWaalsContact C-N 3.3Å
252	T	96.3	Very high	96.1	Very high	84 Å²	84	45.6 Å²	45.6	52%	0.515	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.8	172.1	73	0	0	0	0	113.7	F249 L250	F249-T252 WeakPolarHBondContact O-CB 3.37Å; F249-T252 PolarHBondContact O-N 3.41Å; F249-T252 PolarHBondContact O-OG1 3.02Å; L250-T252 PolarHBondContact O-N 3.45Å
253	V	96.8	Very high	96.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.249	C	C	.	.			trans	-92.3	129.7	-177.7	-176.6	0	0	0	0	109.8	R67 L68 F249 L250 N251 R259 V293 T294	R67-V253 PolarHBondContact NH1-O 3.07Å; L68-V253 HydrophobicContact CD1-CG1 4.28Å; L68-V253 HydrophobicContact CD2-CB 4.39Å; L68-V253 HydrophobicContact CD2-CG1 3.92Å; L68-V253 WeakPolarHBondContact CD2-O 3.47Å; F249-V253 HydrophobicContact CD1-CG2 4.23Å; F249-V253 HydrophobicContact CE1-CG2 3.78Å; F249-V253 HydrophobicContact CZ-CG2 4.32Å; L250-V253 VanDerWaalsContact O-CB 3.29Å; L250-V253 WeakPolarHBondContact O-CB 3.22Å; L250-V253 PolarHBondContact O-N 2.74Å; N251-V253 VanDerWaalsContact C-N 3.3Å; V253-R259 HydrophobicContact CG2-CB 4.29Å; V253-R259 HydrophobicContact CG2-CG 4.47Å; V253-V293 HydrophobicContact CB-CG1 4.39Å; V253-V293 HydrophobicContact CG1-CG1 3.6Å; V253-V293 HydrophobicContact CG2-CG1 3.82Å; V253-T294 HydrophobicContact CG1-CG2 4.03Å
254	S	94.8	Very high	96.1	Very high	59 Å²	59	48.9 Å²	48.9	41%	0.413	25%	0.249	S	C	.	.			trans	-105.5	170.9	165.3	72.1	0	0	0	0	110.9	T256 S257	S254-T256 PolarHBondContact O-N 2.99Å; S254-S257 WeakPolarHBondContact O-CB 3.23Å; S254-S257 PolarHBondContact O-N 3.16Å; S254-S257 PolarHBondContact OG-N 2.89Å
255	R	91.5	Very high	96.2	Very high	126 Å²	126	46.9 Å²	46.9	48%	0.475	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	179.9	-59.8	-170.8	-175.4	174	-3.7	114.3	R67 L68	R67-R255 PolarHBondContact O-NE 3.09Å; R67-R255 VanDerWaalsContact O-NE 3.1Å; R67-R255 PolarHBondContact O-NH2 2.66Å; R67-R255 VanDerWaalsContact O-NH2 3.12Å; L68-R255 WeakPolarHBondContact O-CG 3.43Å
256	T	90.6	Very high	96.2	Very high	121 Å²	121	53.5 Å²	53.5	74%	0.742	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	10.9	178.2	54.6	0	0	0	0	112.4	S254	S254-T256 PolarHBondContact O-N 2.99Å
257	S	92.7	Very high	96.2	Very high	15 Å²	15	54.1 Å²	54.1	11%	0.105	27%	0.27	C	S	.	.			trans	-61.8	143.2	-178.3	-174.4	0	0	0	0	111.9	S254 R259	S254-S257 WeakPolarHBondContact O-CB 3.23Å; S254-S257 PolarHBondContact O-N 3.16Å; S254-S257 PolarHBondContact OG-N 2.89Å; S257-R259 WeakPolarHBondContact OG-CB 3.48Å; S257-R259 WeakPolarHBondContact OG-CG 3.23Å; S257-R259 PolarHBondContact OG-N 3.42Å; S257-R259 VanDerWaalsContact OG-N 3.16Å
258	N	94.3	Very high	96.3	Very high	117 Å²	117	53.8 Å²	53.8	63%	0.626	27%	0.268	S	S	*	.			trans	-100.1	12.9	171.2	-68	-36.3	0	0	0	112.3	K292	N258-K292 WeakPolarHBondContact OD1-CE 3.41Å; N258-K292 PolarHBondContact OD1-NZ 3.46Å
259	R	97.2	Very high	96.4	Very high	89 Å²	89	51.6 Å²	51.6	34%	0.336	26%	0.262	S	S	.	.			trans	-61.1	137.9	174.7	-64.8	-74.3	-75.4	-142.3	-9.3	109.9	F249 V253 S257 E263 V293	F249-R259 HydrophobicContact CZ-CB 4.07Å; V253-R259 HydrophobicContact CG2-CB 4.29Å; V253-R259 HydrophobicContact CG2-CG 4.47Å; S257-R259 WeakPolarHBondContact OG-CB 3.48Å; S257-R259 WeakPolarHBondContact OG-CG 3.23Å; S257-R259 PolarHBondContact OG-N 3.42Å; S257-R259 VanDerWaalsContact OG-N 3.16Å; R259-E263 WeakPolarHBondContact CA-OE2 3.31Å; R259-E263 WeakPolarHBondContact CB-OE2 3.3Å; R259-E263 VanDerWaalsContact CD-OE2 3.26Å; R259-E263 WeakPolarHBondContact CD-OE2 3.47Å; R259-E263 IonicContact CZ-OE1 3.92Å; R259-E263 IonicContact NE-OE1 2.92Å; R259-E263 PolarHBondContact NE-OE1 2.87Å; R259-E263 IonicContact NE-OE2 3.35Å; R259-E263 PolarHBondContact NE-OE2 3.44Å; R259-E263 IonicContact NH1-OE1 3.57Å; R259-V293 HydrophobicContact CB-CG1 4.15Å; R259-V293 PolarHBondContact O-N 3.34Å
260	T	98	Very high	96.3	Very high	26 Å²	26	53.4 Å²	53.4	16%	0.16	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-93	160.3	-169.6	75.9	0	0	0	0	111.3	E262 E263 F264 T289 V291	T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 PolarHBondContact OG1-N 2.88Å; T260-E263 PolarHBondContact N-OE2 3.42Å; T260-E263 PolarHBondContact O-N 2.86Å; T260-E263 WeakPolarHBondContact OG1-CG 3.23Å; T260-E263 PolarHBondContact OG1-N 3.09Å; T260-F264 PolarHBondContact O-N 3.35Å; T260-T289 WeakPolarHBondContact CG2-O 3.42Å; T260-V291 CarbonylContact C-O 3.43Å; T260-V291 WeakPolarHBondContact CA-O 3.35Å
261	L	98.2	Very high	96.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-35.8	172	-176.5	61.8	0	0	0	110.6	L193 I214 E263 F264 L265 P288 V291 F296	L193-L261 HydrophobicContact CD2-CD1 3.93Å; I214-L261 HydrophobicContact CD1-CD2 4.04Å; I214-L261 HydrophobicContact CG2-CD2 4.12Å; L261-E263 VanDerWaalsContact C-N 3.3Å; L261-E263 PolarHBondContact O-N 3.17Å; L261-F264 HydrophobicContact CD1-CD1 4.07Å; L261-F264 WeakPolarHBondContact O-CB 3.47Å; L261-F264 PolarHBondContact O-N 3.03Å; L261-F264 VanDerWaalsContact O-N 3.12Å; L261-L265 HydrophobicContact CD1-CG 4.43Å; L261-L265 HydrophobicContact CG-CD1 3.93Å; L261-L265 HydrophobicContact CG-CG 4.23Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 3.27Å; L261-P288 HydrophobicContact CB-CB 4.2Å; L261-P288 HydrophobicContact CD2-CB 4.35Å; L261-P288 HydrophobicContact CG-CB 4.31Å; L261-P288 PolarHBondContact N-O 3.01Å; L261-V291 HydrophobicContact CB-CB 3.96Å; L261-V291 HydrophobicContact CB-CG1 4.04Å; L261-V291 HydrophobicContact CD2-CB 4.4Å; L261-V291 HydrophobicContact CD2-CG1 4.04Å; L261-V291 PolarHBondContact N-O 3.07Å; L261-F296 HydrophobicContact CD1-CD2 4.36Å; L261-F296 HydrophobicContact CD2-CD2 4.2Å; L261-F296 HydrophobicContact CD2-CE2 3.83Å
262	E	98.3	Very high	96.3	Very high	17 Å²	17	58.7 Å²	58.7	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-36.2	175.7	-171.8	61.9	-162.8	0	0	112.6	T260 L265 R266 R281 P288	T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 PolarHBondContact OG1-N 2.88Å; E262-L265 PolarHBondContact O-N 3.24Å; E262-R266 WeakPolarHBondContact O-CG 3.38Å; E262-R266 PolarHBondContact O-N 3.08Å; E262-R266 IonicContact OE1-CZ 2.95Å; E262-R266 IonicContact OE1-NE 3.04Å; E262-R266 PolarHBondContact OE1-NE 2.96Å; E262-R266 IonicContact OE1-NH2 3.59Å; E262-R266 PolarHBondContact OE1-NH2 3.15Å; E262-R281 IonicContact OE1-NH2 3.11Å; E262-R281 PolarHBondContact OE1-NH2 2.98Å; E262-R281 VanDerWaalsContact OE1-NH2 3.12Å; E262-R281 IonicContact OE2-CZ 3.88Å; E262-R281 IonicContact OE2-NE 2.73Å; E262-R281 PolarHBondContact OE2-NE 2.95Å; E262-R281 IonicContact OE2-NH2 2.74Å; E262-R281 PolarHBondContact OE2-NH2 3.21Å; E262-R281 VanDerWaalsContact OE2-NH2 3.1Å; E262-P288 HydrophobicContact CB-CB 4.02Å; E262-P288 PolarHBondContact N-O 2.81Å; E262-P288 VanDerWaalsContact N-O 3.12Å
263	E	98.3	Very high	96.3	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-37.2	174.7	-62.8	172	118.5	0	0	111.9	F249 R259 T260 L261 R266 C267	F249-E263 HydrophobicContact CE2-CB 3.47Å; F249-E263 VanDerWaalsContact CE2-CB 3.47Å; F249-E263 HydrophobicContact CZ-CB 3.81Å; R259-E263 WeakPolarHBondContact CA-OE2 3.31Å; R259-E263 WeakPolarHBondContact CB-OE2 3.3Å; R259-E263 VanDerWaalsContact CD-OE2 3.26Å; R259-E263 WeakPolarHBondContact CD-OE2 3.47Å; R259-E263 IonicContact CZ-OE1 3.92Å; R259-E263 IonicContact NE-OE1 2.92Å; R259-E263 PolarHBondContact NE-OE1 2.87Å; R259-E263 IonicContact NE-OE2 3.35Å; R259-E263 PolarHBondContact NE-OE2 3.44Å; R259-E263 IonicContact NH1-OE1 3.57Å; T260-E263 PolarHBondContact N-OE2 3.42Å; T260-E263 PolarHBondContact O-N 2.86Å; T260-E263 WeakPolarHBondContact OG1-CG 3.23Å; T260-E263 PolarHBondContact OG1-N 3.09Å; L261-E263 VanDerWaalsContact C-N 3.3Å; L261-E263 PolarHBondContact O-N 3.17Å; E263-R266 PolarHBondContact O-N 3.29Å; E263-C267 PolarHBondContact O-N 3.35Å
264	F	98.5	Very high	96.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-46	173	172.8	-102.4	0	0	0	111.4	L193 V195 A246 F249 L250 T260 L261 R266 C267 V293 F297	L193-F264 HydrophobicContact CD2-CE1 4.38Å; V195-F264 HydrophobicContact CG2-CE1 4.12Å; V195-F264 HydrophobicContact CG2-CZ 4.35Å; A246-F264 HydrophobicContact CB-CE2 4.09Å; F249-F264 HydrophobicContact CD1-CB 4.04Å; F249-F264 AromaticContact CD1-CD2 3.75Å; F249-F264 HydrophobicContact CD1-CD2 3.75Å; F249-F264 HydrophobicContact CD1-CG 4.4Å; F249-F264 HydrophobicContact CE1-CB 3.59Å; F249-F264 HydrophobicContact CE1-CD2 4.06Å; F249-F264 HydrophobicContact CE1-CG 4.32Å; F249-F264 HydrophobicContact CZ-CB 4Å; L250-F264 HydrophobicContact CD1-CE2 4.21Å; L250-F264 HydrophobicContact CD2-CD2 4.26Å; L250-F264 HydrophobicContact CD2-CE2 4.35Å; L250-F264 HydrophobicContact CG-CD2 4.37Å; L250-F264 HydrophobicContact CG-CE2 4.21Å; T260-F264 PolarHBondContact O-N 3.35Å; L261-F264 HydrophobicContact CD1-CD1 4.07Å; L261-F264 WeakPolarHBondContact O-CB 3.47Å; L261-F264 PolarHBondContact O-N 3.03Å; L261-F264 VanDerWaalsContact O-N 3.12Å; F264-R266 PolarHBondContact O-N 3.43Å; F264-C267 WeakPolarHBondContact O-CB 3.33Å; F264-C267 PolarHBondContact O-N 3.06Å; F264-C267 PolarHBondContact O-SG 3.35Å; F264-V293 HydrophobicContact CB-CG2 4.07Å; F264-V293 HydrophobicContact CG-CG2 4.31Å; F264-F297 HydrophobicContact CD1-CE2 4.21Å; F264-F297 HydrophobicContact CD2-CE2 4.42Å; F264-F297 HydrophobicContact CD2-CZ 4.48Å; F264-F297 AromaticContact CE1-CE2 3.94Å; F264-F297 HydrophobicContact CE1-CE2 3.94Å; F264-F297 AromaticContact CE1-CZ 3.89Å; F264-F297 HydrophobicContact CE1-CZ 3.89Å; F264-F297 HydrophobicContact CE2-CE2 4.16Å; F264-F297 AromaticContact CE2-CZ 3.79Å; F264-F297 HydrophobicContact CE2-CZ 3.79Å; F264-F297 HydrophobicContact CG-CE2 4.45Å; F264-F297 HydrophobicContact CZ-CE1 4.46Å; F264-F297 AromaticContact CZ-CE2 3.92Å; F264-F297 HydrophobicContact CZ-CE2 3.92Å; F264-F297 AromaticContact CZ-CZ 3.46Å; F264-F297 HydrophobicContact CZ-CZ 3.46Å; F264-F297 VanDerWaalsContact CZ-CZ 3.46Å
265	L	98.3	Very high	96.4	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-15.9	179.5	-67.1	167.4	0	0	0	113.2	I214 V216 L261 E262 V279 P288	I214-L265 HydrophobicContact CD1-CD1 3.64Å; I214-L265 HydrophobicContact CG1-CD1 4.49Å; V216-L265 HydrophobicContact CB-CD2 3.67Å; V216-L265 HydrophobicContact CG1-CD2 3.86Å; V216-L265 HydrophobicContact CG2-CD2 4.19Å; L261-L265 HydrophobicContact CD1-CG 4.43Å; L261-L265 HydrophobicContact CG-CD1 3.93Å; L261-L265 HydrophobicContact CG-CG 4.23Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 3.27Å; E262-L265 PolarHBondContact O-N 3.24Å; L265-V279 HydrophobicContact CB-CG2 4.12Å; L265-V279 HydrophobicContact CD1-CG1 4Å; L265-V279 HydrophobicContact CD2-CG1 3.88Å; L265-V279 HydrophobicContact CD2-CG2 4.13Å; L265-V279 HydrophobicContact CG-CG1 4.37Å; L265-P288 HydrophobicContact CD1-CB 3.89Å; L265-P288 HydrophobicContact CD1-CG 4.2Å
266	R	97.6	Very high	96.7	Very high	170 Å²	170	54 Å²	54	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	13.3	175.5	-63.1	-178.6	-173.5	-171.9	3.1	113.3	E262 E263 F264 C268	E262-R266 WeakPolarHBondContact O-CG 3.38Å; E262-R266 PolarHBondContact O-N 3.08Å; E262-R266 IonicContact OE1-CZ 2.95Å; E262-R266 IonicContact OE1-NE 3.04Å; E262-R266 PolarHBondContact OE1-NE 2.96Å; E262-R266 IonicContact OE1-NH2 3.59Å; E262-R266 PolarHBondContact OE1-NH2 3.15Å; E263-R266 PolarHBondContact O-N 3.29Å; F264-R266 PolarHBondContact O-N 3.43Å; R266-C268 PolarHBondContact O-N 3.31Å; R266-C268 VanDerWaalsContact O-N 3.13Å
267	C	97.3	Very high	97	Very high	14 Å²	14	49.7 Å²	49.7	10%	0.095	24%	0.242	C	C	.	.	S	Bend	trans	-61.1	-26.4	-173.9	67.3	0	0	0	0	113.3	A246 F249 E263 F264	A246-C267 VanDerWaalsContact CA-SG 3.58Å; F249-C267 HydrophobicContact CB-CB 3.79Å; F249-C267 HydrophobicContact CG-CB 4.24Å; E263-C267 PolarHBondContact O-N 3.35Å; F264-C267 WeakPolarHBondContact O-CB 3.33Å; F264-C267 PolarHBondContact O-N 3.06Å; F264-C267 PolarHBondContact O-SG 3.35Å
268	C	97.4	Very high	97.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	25%	0.252	C	S	.	.	S	Bend	trans	-126.5	81.1	-177.6	-160.9	0	0	0	0	112.1	Y242 Y245 R266 C273 V277	Y242-C268 HydrophobicContact CD2-CB 4.02Å; Y245-C268 WeakPolarHBondContact CD2-SG 3.49Å; R266-C268 PolarHBondContact O-N 3.31Å; R266-C268 VanDerWaalsContact O-N 3.13Å; C268-C273 HydrophobicContact CB-CB 4.26Å; C268-C273 WeakPolarHBondContact CB-SG 3.19Å; C268-C273 WeakPolarHBondContact SG-CA 3.3Å; C268-C273 WeakPolarHBondContact SG-CB 3.28Å; C268-C273 PolarHBondContact SG-N 2.82Å; C268-C273 CovalentContact SG-SG 2.01Å; C268-C273 PolarHBondContact SG-SG 3.49Å; C268-V277 HydrophobicContact CB-CG2 4.13Å; C268-V277 WeakPolarHBondContact O-CG2 3.37Å
269	P	97.3	Very high	97.5	Very high	46 Å²	46	47 Å²	47	30%	0.299	23%	0.228	S	C	.	.			trans	-63	159.1	173	27.4	-36.3	0	0	0	111.9	Y271 K272 C273	P269-Y271 VanDerWaalsContact C-N 3.25Å; P269-Y271 HydrophobicContact CB-CD1 3.79Å; P269-Y271 HydrophobicContact CB-CE1 3.55Å; P269-Y271 HydrophobicContact CG-CD1 3.77Å; P269-Y271 HydrophobicContact CG-CE1 3.15Å; P269-Y271 PolarHBondContact O-N 3.01Å; P269-Y271 VanDerWaalsContact O-N 3.08Å; P269-K272 HydrophobicContact CG-CB 4.22Å; P269-K272 HydrophobicContact CG-CD 3.98Å; P269-K272 HydrophobicContact CG-CG 4.22Å; P269-K272 WeakPolarHBondContact O-CA 3.06Å; P269-K272 WeakPolarHBondContact O-CB 3.38Å; P269-K272 PolarHBondContact O-N 3.1Å; P269-C273 PolarHBondContact O-N 2.9Å
270	A	96.6	Very high	97.5	Very high	54 Å²	54	45 Å²	45	45%	0.446	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-36.5	-173.5	0	0	0	0	0	114.6	K272 H274 S275	A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.15Å; A270-H274 VanDerWaalsContact O-CA 3.3Å; A270-H274 WeakPolarHBondContact O-CA 3.45Å; A270-H274 PolarHBondContact O-N 3.45Å; A270-S275 WeakPolarHBondContact CA-O 3.15Å
271	Y	96.6	Very high	97.5	Very high	172 Å²	172	48.2 Å²	48.2	68%	0.675	23%	0.229	S	C	*	.	H	α-helix	trans	-68.7	-21.4	177.9	74.8	-91.9	0	0	0	114	P269	P269-Y271 VanDerWaalsContact C-N 3.25Å; P269-Y271 HydrophobicContact CB-CD1 3.79Å; P269-Y271 HydrophobicContact CB-CE1 3.55Å; P269-Y271 HydrophobicContact CG-CD1 3.77Å; P269-Y271 HydrophobicContact CG-CE1 3.15Å; P269-Y271 PolarHBondContact O-N 3.01Å; P269-Y271 VanDerWaalsContact O-N 3.08Å
272	K	95.9	Very high	97.4	Very high	44 Å²	44	53.4 Å²	53.4	19%	0.191	26%	0.257	C	S	.	.	H	α-helix	trans	-89.8	-47.9	175	-85.3	-178.8	164.8	-154.4	0	111	R241 Y245 E248 P269 A270	R241-K272 PolarHBondContact NH1-O 2.92Å; Y245-K272 HydrophobicContact CD1-CB 4.4Å; Y245-K272 HydrophobicContact CD1-CD 3.58Å; Y245-K272 HydrophobicContact CD1-CG 4.23Å; Y245-K272 HydrophobicContact CD2-CB 3.84Å; Y245-K272 HydrophobicContact CE1-CB 4.11Å; Y245-K272 HydrophobicContact CE1-CD 3.44Å; Y245-K272 VanDerWaalsContact CE1-CD 3.44Å; Y245-K272 HydrophobicContact CE1-CG 3.73Å; Y245-K272 HydrophobicContact CE2-CB 3.53Å; Y245-K272 HydrophobicContact CE2-CD 4.42Å; Y245-K272 HydrophobicContact CE2-CG 4.06Å; Y245-K272 WeakPolarHBondContact CE2-O 3.31Å; Y245-K272 HydrophobicContact CG-CB 4.27Å; Y245-K272 HydrophobicContact CG-CD 4.11Å; E248-K272 IonicContact OE1-NZ 2.76Å; E248-K272 IonicContact OE2-NZ 3.13Å; E248-K272 PolarHBondContact OE2-NZ 3.1Å; P269-K272 HydrophobicContact CG-CB 4.22Å; P269-K272 HydrophobicContact CG-CD 3.98Å; P269-K272 HydrophobicContact CG-CG 4.22Å; P269-K272 WeakPolarHBondContact O-CA 3.06Å; P269-K272 WeakPolarHBondContact O-CB 3.38Å; P269-K272 PolarHBondContact O-N 3.1Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.15Å
273	C	95.9	Very high	97.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-74.2	-29.8	-176.7	-100.1	0	0	0	0	113.2	R241 C268 P269 S275	R241-C273 VanDerWaalsContact CD-O 3.24Å; R241-C273 WeakPolarHBondContact CD-O 3.41Å; C268-C273 HydrophobicContact CB-CB 4.26Å; C268-C273 WeakPolarHBondContact CB-SG 3.19Å; C268-C273 WeakPolarHBondContact SG-CA 3.3Å; C268-C273 WeakPolarHBondContact SG-CB 3.28Å; C268-C273 PolarHBondContact SG-N 2.82Å; C268-C273 CovalentContact SG-SG 2.01Å; C268-C273 PolarHBondContact SG-SG 3.49Å; P269-C273 PolarHBondContact O-N 2.9Å; C273-S275 WeakPolarHBondContact CB-O 3.44Å; C273-S275 PolarHBondContact O-N 2.66Å
274	H	96.3	Very high	97.4	Very high	115 Å²	115	51.1 Å²	51.1	53%	0.532	25%	0.246	S	C	.	.	S	Bend	trans	56.7	20.8	-165.2	-56.1	-81.8	0	0	0	113.5	L226 R241 A270	L226-H274 HydrophobicContact CD1-CB 3.56Å; R241-H274 PolarHBondContact NH1-CD2 3.03Å; R241-H274 PolarHBondContact NH1-NE2 3.45Å; A270-H274 VanDerWaalsContact O-CA 3.3Å; A270-H274 WeakPolarHBondContact O-CA 3.45Å; A270-H274 PolarHBondContact O-N 3.45Å
275	S	97.1	Very high	97.1	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.028	28%	0.28	C	S	.	.	S	Bend	trans	-147.3	161.8	172	59.4	0	0	0	0	107.2	S218 D224 A270 C273	S218-S275 WeakPolarHBondContact O-CB 3.47Å; S218-S275 PolarHBondContact O-OG 3.01Å; D224-S275 WeakPolarHBondContact O-CB 3.11Å; A270-S275 WeakPolarHBondContact CA-O 3.15Å; C273-S275 WeakPolarHBondContact CB-O 3.44Å; C273-S275 PolarHBondContact O-N 2.66Å
276	T	98.1	Very high	97	Very high	53 Å²	53	60.5 Å²	60.5	33%	0.325	29%	0.291	S	S	.	.			trans	-94.4	111.8	-178.7	-53.1	0	0	0	0	109.6	S219 L220 E223 D278	S219-T276 CarbonylContact C-O 3.5Å; S219-T276 VanDerWaalsContact CA-O 3.31Å; S219-T276 WeakPolarHBondContact CA-O 3.48Å; L220-T276 HydrophobicContact CD1-CG2 3.6Å; L220-T276 HydrophobicContact CG-CG2 4Å; L220-T276 PolarHBondContact N-O 3.22Å; E223-T276 PolarHBondContact OE1-OG1 3.13Å; E223-T276 WeakPolarHBondContact OE2-CA 3.25Å; E223-T276 VanDerWaalsContact OE2-CB 3.29Å; E223-T276 WeakPolarHBondContact OE2-CB 3.36Å; E223-T276 PolarHBondContact OE2-N 3.35Å; E223-T276 PolarHBondContact OE2-OG1 3.31Å; T276-D278 PolarHBondContact O-N 3.1Å
277	V	97.9	Very high	97	Very high	30 Å²	30	56.7 Å²	56.7	18%	0.182	28%	0.284	C	S	.	.			trans	-68.9	123.3	171.6	174.7	0	0	0	0	109.2	V216 G217 Y242 C268 V279	V216-V277 HydrophobicContact CG2-CG1 3.53Å; G217-V277 WeakPolarHBondContact O-CA 3.26Å; Y242-V277 HydrophobicContact CD2-CG2 3.78Å; Y242-V277 HydrophobicContact CE2-CG1 4.2Å; Y242-V277 HydrophobicContact CE2-CG2 4.06Å; C268-V277 HydrophobicContact CB-CG2 4.13Å; C268-V277 WeakPolarHBondContact O-CG2 3.37Å; V277-V279 HydrophobicContact CG1-CG2 4.4Å
278	D	97.7	Very high	97	Very high	60 Å²	60	56.4 Å²	56.4	32%	0.321	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.1	176.5	-175.3	42.7	0	0	0	111.1	A202 Y205 V216 G217 L220 T276	A202-D278 HydrophobicContact CB-CB 3.93Å; Y205-D278 VanDerWaalsContact OH-C 3.24Å; Y205-D278 WeakPolarHBondContact OH-CB 3.43Å; Y205-D278 PolarHBondContact OH-O 3.45Å; Y205-D278 PolarHBondContact OH-OD2 3.39Å; Y205-D278 VanDerWaalsContact OH-OD2 3.05Å; V216-D278 CarbonylContact C-O 3.59Å; V216-D278 VanDerWaalsContact CA-O 3.31Å; V216-D278 WeakPolarHBondContact CA-O 3.47Å; G217-D278 PolarHBondContact N-O 2.95Å; G217-D278 PolarHBondContact O-N 3.1Å; G217-D278 VanDerWaalsContact O-N 3.1Å; L220-D278 HydrophobicContact CD2-CB 3.64Å; L220-D278 HydrophobicContact CG-CB 4.43Å; T276-D278 PolarHBondContact O-N 3.1Å
279	V	98.2	Very high	97	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.103	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	116	-174.1	-179.9	0	0	0	0	110.1	I214 A215 V216 L265 V277 R281	I214-V279 HydrophobicContact CG1-CG1 4.46Å; A215-V279 CarbonylContact O-C 3.51Å; A215-V279 VanDerWaalsContact O-CA 3.26Å; A215-V279 WeakPolarHBondContact O-CA 3.34Å; A215-V279 WeakPolarHBondContact O-CG1 3.38Å; V216-V279 HydrophobicContact CB-CG2 4.08Å; V216-V279 HydrophobicContact CG2-CG2 3.78Å; L265-V279 HydrophobicContact CB-CG2 4.12Å; L265-V279 HydrophobicContact CD1-CG1 4Å; L265-V279 HydrophobicContact CD2-CG1 3.88Å; L265-V279 HydrophobicContact CD2-CG2 4.13Å; L265-V279 HydrophobicContact CG-CG1 4.37Å; V277-V279 HydrophobicContact CG1-CG2 4.4Å; V279-R281 VanDerWaalsContact CB-NH1 3.33Å; V279-R281 HydrophobicContact CG1-CG 3.84Å; V279-R281 VanDerWaalsContact CG1-CZ 3.44Å; V279-R281 PolarHBondContact O-NH1 3.07Å
280	R	97.7	Very high	96.9	Very high	45 Å²	45	63.5 Å²	63.5	17%	0.17	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.9	175.3	-171.8	173.3	-179.2	-172.7	-2.8	111.1	Y205 R206 I208 A215 D282	Y205-R280 HydrophobicContact CD2-CB 3.68Å; Y205-R280 HydrophobicContact CD2-CG 4.37Å; Y205-R280 HydrophobicContact CE2-CB 3.67Å; Y205-R280 PolarHBondContact O-NH1 3.31Å; R206-R280 PolarHBondContact O-NH1 2.76Å; I208-R280 PolarHBondContact O-NH1 3.48Å; I208-R280 PolarHBondContact O-NH2 2.87Å; A215-R280 HydrophobicContact CB-CB 4.27Å; A215-R280 PolarHBondContact N-O 2.89Å; A215-R280 PolarHBondContact O-N 3.43Å; R280-D282 WeakPolarHBondContact CG-OD1 3.21Å; R280-D282 IonicContact CZ-OD1 3.19Å; R280-D282 IonicContact CZ-OD2 3.42Å; R280-D282 IonicContact NE-OD1 3.86Å; R280-D282 PolarHBondContact NE-OD1 3.08Å; R280-D282 IonicContact NE-OD2 3.78Å; R280-D282 PolarHBondContact NE-OD2 2.99Å; R280-D282 IonicContact NH2-OD1 3.74Å; R280-D282 IonicContact NH2-OD2 3.84Å; R280-D282 PolarHBondContact NH2-OD2 3.4Å
281	R	97.5	Very high	96.9	Very high	94 Å²	94	61 Å²	61	36%	0.355	30%	0.299	S	S	.	.			trans	-125.2	-13.4	-173	-60	-177.8	177.5	78.7	-4.7	114.9	I214 E262 V279 L283 Y284	I214-R281 HydrophobicContact CD1-CG 4.41Å; E262-R281 IonicContact OE1-NH2 3.11Å; E262-R281 PolarHBondContact OE1-NH2 2.98Å; E262-R281 VanDerWaalsContact OE1-NH2 3.12Å; E262-R281 IonicContact OE2-CZ 3.88Å; E262-R281 IonicContact OE2-NE 2.73Å; E262-R281 PolarHBondContact OE2-NE 2.95Å; E262-R281 IonicContact OE2-NH2 2.74Å; E262-R281 PolarHBondContact OE2-NH2 3.21Å; E262-R281 VanDerWaalsContact OE2-NH2 3.1Å; V279-R281 VanDerWaalsContact CB-NH1 3.33Å; V279-R281 HydrophobicContact CG1-CG 3.84Å; V279-R281 VanDerWaalsContact CG1-CZ 3.44Å; V279-R281 PolarHBondContact O-NH1 3.07Å; R281-L283 PolarHBondContact O-N 3.01Å; R281-Y284 PolarHBondContact O-N 3.13Å
282	D	97.4	Very high	96.9	Very high	110 Å²	110	57 Å²	57	59%	0.588	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.8	-174.6	56.7	-57.5	0	0	0	113.7	R280	R280-D282 WeakPolarHBondContact CG-OD1 3.21Å; R280-D282 IonicContact CZ-OD1 3.19Å; R280-D282 IonicContact CZ-OD2 3.42Å; R280-D282 IonicContact NE-OD1 3.86Å; R280-D282 PolarHBondContact NE-OD1 3.08Å; R280-D282 IonicContact NE-OD2 3.78Å; R280-D282 PolarHBondContact NE-OD2 2.99Å; R280-D282 IonicContact NH2-OD1 3.74Å; R280-D282 IonicContact NH2-OD2 3.84Å; R280-D282 PolarHBondContact NH2-OD2 3.4Å
283	L	97.6	Very high	97	Very high	26 Å²	26	54.9 Å²	54.9	14%	0.136	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5	178	-59.7	173.9	0	0	0	113.5	I208 P211 K212 V213 R281	I208-L283 HydrophobicContact CB-CD1 4.17Å; I208-L283 HydrophobicContact CG2-CD1 3.69Å; I208-L283 WeakPolarHBondContact O-CD1 3.43Å; P211-L283 CarbonylContact C-O 3.47Å; K212-L283 WeakPolarHBondContact CA-O 3.29Å; K212-L283 PolarHBondContact N-O 2.83Å; V213-L283 HydrophobicContact CB-CB 4.45Å; V213-L283 CarbonylContact O-C 3.6Å; V213-L283 WeakPolarHBondContact O-CB 3.45Å; R281-L283 PolarHBondContact O-N 3.01Å
284	Y	97.8	Very high	97	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.055	28%	0.281	C	S	.	.			trans	-109.6	117	-173.3	-169.3	-112	0	0	0	111.8	E191 I214 R281 R286 P288 V291 F296	E191-Y284 HydrophobicContact CB-CE2 4.1Å; E191-Y284 HydrophobicContact CG-CE2 3.91Å; E191-Y284 PolarHBondContact OE2-OH 3.13Å; I214-Y284 HydrophobicContact CB-CD1 4.2Å; I214-Y284 HydrophobicContact CB-CD2 3.98Å; I214-Y284 HydrophobicContact CB-CG 3.78Å; I214-Y284 HydrophobicContact CD1-CD1 3.98Å; I214-Y284 HydrophobicContact CD1-CE1 4.43Å; I214-Y284 HydrophobicContact CD1-CG 4.38Å; I214-Y284 HydrophobicContact CG2-CD2 4.09Å; I214-Y284 HydrophobicContact CG2-CE2 4.25Å; I214-Y284 HydrophobicContact CG2-CG 4.29Å; R281-Y284 PolarHBondContact O-N 3.13Å; Y284-R286 VanDerWaalsContact C-N 3.32Å; Y284-R286 HydrophobicContact CD1-CB 4.35Å; Y284-R286 WeakPolarHBondContact CD1-O 3.4Å; Y284-R286 HydrophobicContact CE1-CB 3.71Å; Y284-R286 WeakPolarHBondContact CE1-O 3.48Å; Y284-R286 PolarHBondContact O-N 3.47Å; Y284-P288 HydrophobicContact CD1-CG 4.43Å; Y284-V291 HydrophobicContact CE1-CG2 3.95Å; Y284-V291 WeakPolarHBondContact OH-CG2 3.29Å; Y284-F296 HydrophobicContact CE2-CZ 4.39Å
285	N	93.9	Very high	97	Very high	132 Å²	132	51.4 Å²	51.4	71%	0.706	26%	0.261	S	S	*	.			trans	-76.5	-12.1	-168.3	-65.7	-13.9	0	0	0	115.1
286	R	95.6	Very high	97.1	Very high	68 Å²	68	51.3 Å²	51.3	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-105.4	147.2	-178.3	-68.1	165.8	70.5	-162.8	-2.8	110.1	E191 Y284 P288 V291 D295	E191-R286 WeakPolarHBondContact OE1-CD 3.31Å; E191-R286 IonicContact OE1-CZ 3.71Å; E191-R286 IonicContact OE1-NE 3.06Å; E191-R286 IonicContact OE1-NH1 3.86Å; E191-R286 PolarHBondContact OE1-NH1 2.83Å; E191-R286 IonicContact OE2-NH1 3.29Å; E191-R286 PolarHBondContact OE2-NH1 3.41Å; Y284-R286 VanDerWaalsContact C-N 3.32Å; Y284-R286 HydrophobicContact CD1-CB 4.35Å; Y284-R286 WeakPolarHBondContact CD1-O 3.4Å; Y284-R286 HydrophobicContact CE1-CB 3.71Å; Y284-R286 WeakPolarHBondContact CE1-O 3.48Å; Y284-R286 PolarHBondContact O-N 3.47Å; R286-P288 VanDerWaalsContact O-CD 3.3Å; R286-P288 WeakPolarHBondContact O-CD 3.49Å; R286-V291 HydrophobicContact CB-CG2 3.83Å; R286-D295 IonicContact CZ-OD2 3.61Å; R286-D295 IonicContact NH1-OD2 3.81Å; R286-D295 IonicContact NH2-OD2 3.48Å; R286-D295 PolarHBondContact NH2-OD2 3.39Å
287	N	96.8	Very high	97.1	Very high	91 Å²	91	48.8 Å²	48.8	49%	0.487	25%	0.245	S	C	.	.			trans	-71.3	120	169.2	-175.6	-29.1	0	0	0	109.2	T289 N290	N287-T289 PolarHBondContact O-N 2.81Å; N287-T289 VanDerWaalsContact OD1-CB 3.26Å; N287-T289 WeakPolarHBondContact OD1-CB 3.39Å; N287-T289 PolarHBondContact OD1-N 2.98Å; N287-T289 PolarHBondContact OD1-OG1 2.93Å; N287-N290 PolarHBondContact O-N 3.02Å
288	P	97.3	Very high	96.9	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.045	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.8	-18.8	-178.3	-25.8	36.5	0	0	0	114.7	I214 L261 E262 L265 Y284 R286 N290 V291	I214-P288 HydrophobicContact CD1-CB 4.29Å; I214-P288 HydrophobicContact CD1-CG 3.56Å; L261-P288 HydrophobicContact CB-CB 4.2Å; L261-P288 HydrophobicContact CD2-CB 4.35Å; L261-P288 HydrophobicContact CG-CB 4.31Å; L261-P288 PolarHBondContact N-O 3.01Å; E262-P288 HydrophobicContact CB-CB 4.02Å; E262-P288 PolarHBondContact N-O 2.81Å; E262-P288 VanDerWaalsContact N-O 3.12Å; L265-P288 HydrophobicContact CD1-CB 3.89Å; L265-P288 HydrophobicContact CD1-CG 4.2Å; Y284-P288 HydrophobicContact CD1-CG 4.43Å; R286-P288 VanDerWaalsContact O-CD 3.3Å; R286-P288 WeakPolarHBondContact O-CD 3.49Å; P288-N290 PolarHBondContact O-N 2.93Å; P288-V291 PolarHBondContact O-N 2.76Å
289	T	97.7	Very high	96.5	Very high	69 Å²	69	46.3 Å²	46.3	42%	0.423	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.2	-24.9	172.8	-46.7	0	0	0	0	112.1	T260 N287	T260-T289 WeakPolarHBondContact CG2-O 3.42Å; N287-T289 PolarHBondContact O-N 2.81Å; N287-T289 VanDerWaalsContact OD1-CB 3.26Å; N287-T289 WeakPolarHBondContact OD1-CB 3.39Å; N287-T289 PolarHBondContact OD1-N 2.98Å; N287-T289 PolarHBondContact OD1-OG1 2.93Å
290	N	96.2	Very high	95.7	Very high	128 Å²	128	47.2 Å²	47.2	68%	0.684	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-104	7	179.4	-61.3	-25.7	0	0	0	112.7	N287 P288	N287-N290 PolarHBondContact O-N 3.02Å; P288-N290 PolarHBondContact O-N 2.93Å
291	V	96.3	Very high	94.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.266	C	S	.	.	S	Bend	trans	-106.1	130.5	178.7	-178.7	0	0	0	0	107.5	T260 L261 Y284 R286 P288 D295 F296	T260-V291 CarbonylContact C-O 3.43Å; T260-V291 WeakPolarHBondContact CA-O 3.35Å; L261-V291 HydrophobicContact CB-CB 3.96Å; L261-V291 HydrophobicContact CB-CG1 4.04Å; L261-V291 HydrophobicContact CD2-CB 4.4Å; L261-V291 HydrophobicContact CD2-CG1 4.04Å; L261-V291 PolarHBondContact N-O 3.07Å; Y284-V291 HydrophobicContact CE1-CG2 3.95Å; Y284-V291 WeakPolarHBondContact OH-CG2 3.29Å; R286-V291 HydrophobicContact CB-CG2 3.83Å; P288-V291 PolarHBondContact O-N 2.76Å; V291-D295 HydrophobicContact CG1-CB 4.19Å; V291-F296 HydrophobicContact CG1-CE2 4.23Å
292	K	96.8	Very high	92.4	Very high	89 Å²	89	54.7 Å²	54.7	39%	0.387	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-77.2	142.7	176	-61.9	-174.4	-179.2	-166.3	0	109.2	N258 T294 D295	N258-K292 WeakPolarHBondContact OD1-CE 3.41Å; N258-K292 PolarHBondContact OD1-NZ 3.46Å; K292-T294 WeakPolarHBondContact CB-OG1 3.43Å; K292-T294 PolarHBondContact O-N 3.29Å; K292-D295 VanDerWaalsContact O-CB 3.25Å; K292-D295 WeakPolarHBondContact O-CB 3.43Å; K292-D295 PolarHBondContact O-N 3.49Å
293	V	97.2	Very high	90.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30	172.3	66.6	0	0	0	0	111.8	F249 L250 V253 R259 F264 D295 F296 F297	F249-V293 HydrophobicContact CE1-CB 4.39Å; F249-V293 HydrophobicContact CE1-CG1 4.37Å; F249-V293 HydrophobicContact CE1-CG2 4.11Å; L250-V293 HydrophobicContact CD2-CG2 4.15Å; V253-V293 HydrophobicContact CB-CG1 4.39Å; V253-V293 HydrophobicContact CG1-CG1 3.6Å; V253-V293 HydrophobicContact CG2-CG1 3.82Å; R259-V293 HydrophobicContact CB-CG1 4.15Å; R259-V293 PolarHBondContact O-N 3.34Å; F264-V293 HydrophobicContact CB-CG2 4.07Å; F264-V293 HydrophobicContact CG-CG2 4.31Å; V293-D295 PolarHBondContact O-N 2.76Å; V293-F296 PolarHBondContact O-N 2.64Å; V293-F296 VanDerWaalsContact O-N 3.14Å; V293-F297 HydrophobicContact CG2-CD2 3.51Å; V293-F297 HydrophobicContact CG2-CE2 4.02Å; V293-F297 HydrophobicContact CG2-CG 4.29Å; V293-F297 WeakPolarHBondContact O-CD2 3.27Å; V293-F297 PolarHBondContact O-N 2.83Å
294	T	96.7	Very high	88	Confident	18 Å²	18	58 Å²	58	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-16.1	176.1	53.4	0	0	0	0	113.4	N38 V253 K292 F296 G298	N38-T294 PolarHBondContact ND2-O 3.12Å; N38-T294 VanDerWaalsContact ND2-O 3.14Å; V253-T294 HydrophobicContact CG1-CG2 4.03Å; K292-T294 WeakPolarHBondContact CB-OG1 3.43Å; K292-T294 PolarHBondContact O-N 3.29Å; T294-F296 PolarHBondContact O-N 2.75Å; T294-G298 PolarHBondContact O-N 2.76Å; T294-G298 VanDerWaalsContact O-N 3.09Å
295	D	96.6	Very high	86	Confident	23 Å²	23	64.5 Å²	64.5	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-15.8	173.1	-67.8	2.1	0	0	0	111.8	H35 N38 N149 R286 V291 K292 V293	H35-D295 IonicContact CE1-OD1 3.68Å; H35-D295 PolarHBondContact NE2-O 2.99Å; N38-D295 VanDerWaalsContact ND2-C 3.33Å; N38-D295 PolarHBondContact ND2-O 3.05Å; N38-D295 VanDerWaalsContact ND2-O 3.11Å; N38-D295 PolarHBondContact OD1-O 3.44Å; N149-D295 WeakPolarHBondContact CB-O 3.42Å; N149-D295 PolarHBondContact ND2-O 3.08Å; R286-D295 IonicContact CZ-OD2 3.61Å; R286-D295 IonicContact NH1-OD2 3.81Å; R286-D295 IonicContact NH2-OD2 3.48Å; R286-D295 PolarHBondContact NH2-OD2 3.39Å; V291-D295 HydrophobicContact CG1-CB 4.19Å; K292-D295 VanDerWaalsContact O-CB 3.25Å; K292-D295 WeakPolarHBondContact O-CB 3.43Å; K292-D295 PolarHBondContact O-N 3.49Å; V293-D295 PolarHBondContact O-N 2.76Å
296	F	97.8	Very high	84.2	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-120.8	-33.1	174.3	-68.6	-80.4	0	0	0	113.6	N149 E191 L193 L261 Y284 V291 V293 T294	N149-F296 HydrophobicContact CB-CD1 3.99Å; N149-F296 HydrophobicContact CB-CE1 4.01Å; E191-F296 HydrophobicContact CB-CE1 4.01Å; E191-F296 HydrophobicContact CB-CZ 3.77Å; L193-F296 HydrophobicContact CB-CB 4.34Å; L193-F296 HydrophobicContact CB-CD1 3.41Å; L193-F296 VanDerWaalsContact CB-CD1 3.41Å; L193-F296 HydrophobicContact CB-CD2 4.2Å; L193-F296 HydrophobicContact CB-CE1 3.63Å; L193-F296 HydrophobicContact CB-CE2 4.38Å; L193-F296 HydrophobicContact CB-CG 3.72Å; L193-F296 HydrophobicContact CB-CZ 4.11Å; L193-F296 HydrophobicContact CD2-CB 3.84Å; L193-F296 HydrophobicContact CD2-CD1 4.43Å; L193-F296 HydrophobicContact CD2-CD2 4.16Å; L193-F296 HydrophobicContact CD2-CG 3.89Å; L193-F296 HydrophobicContact CG-CG 4.47Å; L261-F296 HydrophobicContact CD1-CD2 4.36Å; L261-F296 HydrophobicContact CD2-CD2 4.2Å; L261-F296 HydrophobicContact CD2-CE2 3.83Å; Y284-F296 HydrophobicContact CE2-CZ 4.39Å; V291-F296 HydrophobicContact CG1-CE2 4.23Å; V293-F296 PolarHBondContact O-N 2.64Å; V293-F296 VanDerWaalsContact O-N 3.14Å; T294-F296 PolarHBondContact O-N 2.75Å
297	F	97.7	Very high	82.6	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-99.9	-15.1	-173	-72.9	-93.5	0	0	0	114.5	M61 V65 L68 L151 L193 L250 F264 V293	M61-F297 HydrophobicContact SD-CE1 4.44Å; V65-F297 HydrophobicContact CG1-CD1 3.87Å; L68-F297 WeakPolarHBondContact CB-O 3.42Å; L68-F297 HydrophobicContact CD1-CB 3.68Å; L151-F297 HydrophobicContact CD1-CE1 4.4Å; L151-F297 HydrophobicContact CD1-CE2 4.49Å; L151-F297 HydrophobicContact CD1-CZ 4.02Å; L151-F297 HydrophobicContact CD2-CD1 3.76Å; L151-F297 HydrophobicContact CD2-CE1 3.5Å; L151-F297 VanDerWaalsContact CD2-CE1 3.5Å; L151-F297 HydrophobicContact CD2-CG 4.37Å; L151-F297 HydrophobicContact CD2-CZ 3.93Å; L193-F297 HydrophobicContact CD2-CD2 4.47Å; L193-F297 HydrophobicContact CD2-CE2 3.63Å; L193-F297 HydrophobicContact CD2-CZ 4.25Å; L250-F297 HydrophobicContact CD1-CD1 4.02Å; L250-F297 HydrophobicContact CD1-CE1 3.76Å; L250-F297 HydrophobicContact CD1-CZ 4.42Å; L250-F297 HydrophobicContact CD2-CB 4.44Å; L250-F297 HydrophobicContact CD2-CD1 3.84Å; L250-F297 HydrophobicContact CD2-CD2 4.27Å; L250-F297 HydrophobicContact CD2-CE1 4.11Å; L250-F297 HydrophobicContact CD2-CE2 4.5Å; L250-F297 HydrophobicContact CD2-CG 3.93Å; L250-F297 HydrophobicContact CD2-CZ 4.44Å; F264-F297 HydrophobicContact CD1-CE2 4.21Å; F264-F297 HydrophobicContact CD2-CE2 4.42Å; F264-F297 HydrophobicContact CD2-CZ 4.48Å; F264-F297 AromaticContact CE1-CE2 3.94Å; F264-F297 HydrophobicContact CE1-CE2 3.94Å; F264-F297 AromaticContact CE1-CZ 3.89Å; F264-F297 HydrophobicContact CE1-CZ 3.89Å; F264-F297 HydrophobicContact CE2-CE2 4.16Å; F264-F297 AromaticContact CE2-CZ 3.79Å; F264-F297 HydrophobicContact CE2-CZ 3.79Å; F264-F297 HydrophobicContact CG-CE2 4.45Å; F264-F297 HydrophobicContact CZ-CE1 4.46Å; F264-F297 AromaticContact CZ-CE2 3.92Å; F264-F297 HydrophobicContact CZ-CE2 3.92Å; F264-F297 AromaticContact CZ-CZ 3.46Å; F264-F297 HydrophobicContact CZ-CZ 3.46Å; F264-F297 VanDerWaalsContact CZ-CZ 3.46Å; V293-F297 HydrophobicContact CG2-CD2 3.51Å; V293-F297 HydrophobicContact CG2-CE2 4.02Å; V293-F297 HydrophobicContact CG2-CG 4.29Å; V293-F297 WeakPolarHBondContact O-CD2 3.27Å; V293-F297 PolarHBondContact O-N 2.83Å
298	G	94.3	Very high	81	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.01	38%	0.377	C	S	.	.	S	Bend	trans	-114.6	167.5	-172.6	0	0	0	0	0	114.8	N38 L68 T294	N38-G298 PolarHBondContact ND2-O 2.68Å; L68-G298 WeakPolarHBondContact O-CA 3.31Å; T294-G298 PolarHBondContact O-N 2.76Å; T294-G298 VanDerWaalsContact O-N 3.09Å
299	S	90.3	Very high	79.2	Confident	37 Å²	37	80.7 Å²	80.7	26%	0.259	42%	0.416	S	S	.	.			trans	-72.4	138	171.4	62	0	0	0	0	111.7	L68 G69	L68-S299 PolarHBondContact O-N 2.72Å; G69-S299 WeakPolarHBondContact O-CB 3.47Å
300	V	81.1	Confident	77.8	Confident	36 Å²	36	83.7 Å²	83.7	22%	0.218	43%	0.429	C	S	.	.			trans	-81.1	121.2	164.8	-174.6	0	0	0	0	109.1	S33 H35	S33-V300 WeakPolarHBondContact OG-CG1 3.43Å; H35-V300 WeakPolarHBondContact CD2-CG2 3.28Å; H35-V300 WeakPolarHBondContact NE2-CG2 3.38Å
301	R	68.4	Low	76.5	Confident	191 Å²	191	86.1 Å²	86.1	72%	0.721	44%	0.436	S	S	*	.			trans	-99.9	108.1	165.1	-72	-174.8	175.7	-173.8	-3.8	108.4
302	S	57.8	Low	75.3	Confident	106 Å²	106	92.9 Å²	92.9	74%	0.741	47%	0.471	S	S	*	.			trans	-83.8	113.7	162.2	-172.9	0	0	0	0	107.9
303	I	55.4	Low	73.9	Confident	108 Å²	108	98 Å²	98	55%	0.554	50%	0.497	S	S	*	.			trans	-101.3	104.5	166.2	-59.3	173.8	0	0	0	105.6	F305	I303-F305 HydrophobicContact CG2-CE2 4.2Å; I303-F305 HydrophobicContact CG2-CZ 4.25Å
304	S	47	Very low	72.2	Confident	96 Å²	96	109.2 Å²	109.2	67%	0.671	56%	0.556	S	S	*	*			trans	-93.6	121	165.8	54.1	0	0	0	0	108.5	L306	S304-L306 PolarHBondContact O-N 3.06Å
305	F	54.8	Low	71	Confident	152 Å²	152	113.8 Å²	113.8	67%	0.667	58%	0.579	S	S	*	*			trans	-74.7	121.8	166.1	-66.5	-84.1	0	0	0	108	F30 I303 N307	F30-F305 HydrophobicContact CZ-CE2 4.44Å; I303-F305 HydrophobicContact CG2-CE2 4.2Å; I303-F305 HydrophobicContact CG2-CZ 4.25Å; F305-N307 PolarHBondContact O-N 3.37Å
306	L	57	Low	69.7	Low	136 Å²	136	118.5 Å²	118.5	71%	0.712	60%	0.603	S	S	*	*			trans	-72.8	109.9	164.9	-72.9	162	0	0	0	106.4	S304	S304-L306 PolarHBondContact O-N 3.06Å
307	N	61.2	Low	68.1	Low	159 Å²	159	125 Å²	125	85%	0.85	64%	0.636	S	S	*	*			trans	-88.6	14.9	173.3	-81.1	-1.9	0	0	0	112.2	F305	F305-N307 PolarHBondContact O-N 3.37Å
308	E	63.1	Low	66.4	Low	156 Å²	156	132.4 Å²	132.4	73%	0.729	67%	0.673	S	S	*	*	S	Bend	trans	-88.6	126.7	171.3	-75.6	177.2	163.3	0	0	109	I310	E308-I310 PolarHBondContact O-N 3.03Å; E308-I310 VanDerWaalsContact O-N 3.14Å
309	E	60.5	Low	64.6	Low	186 Å²	186	140.6 Å²	140.6	87%	0.869	71%	0.714	S	S	*	*			trans	-58.5	115.5	164.2	-78.4	-179	153.7	0	0	107.7	E311	E309-E311 PolarHBondContact O-N 2.96Å
310	I	68.3	Low	62.9	Low	133 Å²	133	147.5 Å²	147.5	68%	0.682	75%	0.745	S	S	*	*			trans	-72.5	98.5	171	-59.1	173.5	0	0	0	106.1	E308 L312	E308-I310 PolarHBondContact O-N 3.03Å; E308-I310 VanDerWaalsContact O-N 3.14Å; I310-L312 HydrophobicContact CG2-CD2 4.02Å; I310-L312 HydrophobicContact CG2-CG 4.41Å; I310-L312 PolarHBondContact O-N 2.84Å; I310-L312 VanDerWaalsContact O-N 3.16Å
311	E	67.4	Low	61.6	Low	179 Å²	179	155.4 Å²	155.4	84%	0.836	78%	0.782	S	S	*	*			trans	-66.9	109	164.6	-74.8	-169.5	164.6	0	0	108.2	E309 E313	E309-E311 PolarHBondContact O-N 2.96Å; E311-E313 PolarHBondContact O-N 2.6Å
312	L	71	Confident	61.1	Low	143 Å²	143	152.7 Å²	152.7	75%	0.749	79%	0.787	S	S	*	*			trans	-79.6	112.6	167.5	-64.7	172.8	0	0	0	107.4	I310 N314	I310-L312 HydrophobicContact CG2-CD2 4.02Å; I310-L312 HydrophobicContact CG2-CG 4.41Å; I310-L312 PolarHBondContact O-N 2.84Å; I310-L312 VanDerWaalsContact O-N 3.16Å; L312-N314 PolarHBondContact O-N 3.18Å
313	E	68.8	Low	61.3	Low	197 Å²	197	156.6 Å²	156.6	92%	0.921	79%	0.791	S	S	*	*			trans	-60.9	120.2	166.5	-72.4	-176.4	164.6	0	0	108.6	E311	E311-E313 PolarHBondContact O-N 2.6Å
314	N	61.6	Low	61.9	Low	234 Å²	234	161 Å²	161	100%	1.251	81%	0.813	S	S	*	*			trans	-74.7	0	171.8	-78	-37.4	0	0	0	111.7	L312	L312-N314 PolarHBondContact O-N 3.18Å

Retrieved 314 of 314 residues in 487.5 ms (Link to these results)

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