A0A087YAN7_POEFO Loading...

Glutamine amidotransferase class 1 domain containing 3, like

AlphaFold DB , UniProt , Accession A0A087YAN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 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	38.3	Very low	39.8	Very low	240 Å²	240	162.4 Å²	162.4	100%	1.182	85%	0.854	S	S	*	*				0	126	0	-77.4	179.7	-173.4	0	0	108.4
2	L	36.3	Very low	39.9	Very low	160 Å²	160	159.6 Å²	159.6	84%	0.838	85%	0.849	S	S	*	*			trans	16	113.6	174.1	-71.5	98.8	0	0	0	120.9
3	A	39	Very low	39.9	Very low	99 Å²	99	159.4 Å²	159.4	82%	0.818	85%	0.847	S	S	*	*			trans	-79.3	120.3	151.6	0	0	0	0	0	109.5
4	T	37.9	Very low	40.2	Very low	131 Å²	131	156.7 Å²	156.7	80%	0.804	84%	0.84	S	S	*	*			trans	-93.4	106.7	176.4	-35.5	0	0	0	0	109.2	T6	T4-T6 PolarHBondContact O-N 3.29Å
5	R	42.8	Very low	40.3	Very low	226 Å²	226	152.1 Å²	152.1	85%	0.853	83%	0.832	S	S	*	*			trans	-71.7	117.1	170.8	-77.7	179	166.9	-166.7	-3.3	109.6	L7	R5-L7 PolarHBondContact O-N 3.47Å
6	T	41.3	Very low	40.6	Very low	135 Å²	135	149.4 Å²	149.4	83%	0.828	82%	0.821	S	S	*	*			trans	-79.7	102.2	166.8	-25.7	0	0	0	0	108.6	T4 L8	T4-T6 PolarHBondContact O-N 3.29Å; T6-L8 PolarHBondContact O-N 3.18Å
7	L	40	Very low	41.2	Very low	158 Å²	158	147.2 Å²	147.2	83%	0.827	82%	0.819	S	S	*	*			trans	-74.4	104.6	169.5	-97.7	121.6	0	0	0	109	R5 S9	R5-L7 PolarHBondContact O-N 3.47Å; L7-S9 PolarHBondContact O-N 3.29Å
8	L	40.9	Very low	41.6	Very low	166 Å²	166	147.5 Å²	147.5	87%	0.869	81%	0.813	S	S	*	*			trans	-73.4	96.7	161.5	-87	154.2	0	0	0	108.3	T6 K10	T6-L8 PolarHBondContact O-N 3.18Å; L8-K10 PolarHBondContact O-N 3.05Å
9	S	40.4	Very low	42.1	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	81%	0.805	S	S	*	*			trans	-67	110.2	167	63.5	0	0	0	0	108.7	L7 Q11	L7-S9 PolarHBondContact O-N 3.29Å; S9-Q11 PolarHBondContact O-N 3.18Å
10	K	40.8	Very low	42.6	Very low	200 Å²	200	146.3 Å²	146.3	87%	0.87	81%	0.806	S	S	*	*			trans	-62.4	106.7	164.6	-81.2	-179.9	175	178.7	0	107.9	L8 T12	L8-K10 PolarHBondContact O-N 3.05Å; K10-T12 PolarHBondContact O-N 3.07Å
11	Q	39.8	Very low	43.1	Very low	169 Å²	169	142.6 Å²	142.6	79%	0.79	80%	0.795	S	S	*	*			trans	-65.6	105.1	161.8	-78.6	179.1	-23.2	0	0	107.4	S9 L13	S9-Q11 PolarHBondContact O-N 3.18Å; Q11-L13 VanDerWaalsContact C-N 3.29Å; Q11-L13 PolarHBondContact O-N 2.94Å
12	T	41.7	Very low	43.7	Very low	129 Å²	129	135.6 Å²	135.6	79%	0.791	77%	0.768	S	S	*	*			trans	-63.3	94.4	162	16.4	0	0	0	0	107.7	K10 T14	K10-T12 PolarHBondContact O-N 3.07Å; T12-T14 PolarHBondContact O-N 2.97Å
13	L	39.4	Very low	44.2	Very low	157 Å²	157	137.2 Å²	137.2	82%	0.822	77%	0.769	S	S	*	*			trans	-67.5	88.1	161.8	-89.6	153.2	0	0	0	107.6	Q11 A15	Q11-L13 VanDerWaalsContact C-N 3.29Å; Q11-L13 PolarHBondContact O-N 2.94Å; L13-A15 PolarHBondContact O-N 2.84Å
14	T	44.2	Very low	44.6	Very low	122 Å²	122	137.1 Å²	137.1	75%	0.748	76%	0.758	S	S	*	*			trans	-64.3	86.5	155.5	21.1	0	0	0	0	106.9	T12 V16	T12-T14 PolarHBondContact O-N 2.97Å; T14-V16 PolarHBondContact O-N 2.89Å
15	A	41.3	Very low	45	Very low	87 Å²	87	136.7 Å²	136.7	72%	0.719	75%	0.747	S	S	*	*			trans	-65.1	90.4	168.6	0	0	0	0	0	107.9	L13 S17	L13-A15 PolarHBondContact O-N 2.84Å; A15-S17 PolarHBondContact O-N 2.93Å
16	V	44.9	Very low	44.9	Very low	110 Å²	110	135.9 Å²	135.9	67%	0.667	75%	0.753	S	S	*	*			trans	-67.3	94	163.1	-175.8	0	0	0	0	105.3	T14 H18	T14-V16 PolarHBondContact O-N 2.89Å; V16-H18 WeakPolarHBondContact CG1-ND1 3.41Å; V16-H18 PolarHBondContact O-N 3.26Å
17	S	50.7	Low	45.2	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	74%	0.736	S	S	*	*			trans	-71.4	80.3	176.7	62.9	0	0	0	0	108.9	A15 Q19	A15-S17 PolarHBondContact O-N 2.93Å; S17-Q19 PolarHBondContact O-N 3.06Å
18	H	48.3	Very low	45.6	Very low	152 Å²	152	133.8 Å²	133.8	70%	0.704	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62.1	126.2	163.3	-82	13.7	0	0	0	107.9	V16	V16-H18 WeakPolarHBondContact CG1-ND1 3.41Å; V16-H18 PolarHBondContact O-N 3.26Å
19	Q	52	Low	46	Very low	142 Å²	142	129.7 Å²	129.7	66%	0.664	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-57.9	139.5	170.1	-72.5	-173.9	-47	0	0	108.2	S17 A21	S17-Q19 PolarHBondContact O-N 3.06Å; Q19-A21 PolarHBondContact O-N 3.33Å
20	P	51.9	Low	46.6	Very low	128 Å²	128	126.3 Å²	126.3	83%	0.831	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-54.8	120.9	174.7	20.2	-29.3	0	0	0	108.8	C22	P20-C22 PolarHBondContact O-N 3.12Å; P20-C22 VanDerWaalsContact O-N 3.09Å
21	A	53.6	Low	47.1	Very low	69 Å²	69	128 Å²	128	57%	0.57	70%	0.699	S	S	*	*			trans	-67.7	109.8	-179.6	0	0	0	0	0	108.6	Q19 F23	Q19-A21 PolarHBondContact O-N 3.33Å; A21-F23 HydrophobicContact CB-CD2 4.47Å; A21-F23 HydrophobicContact CB-CE2 4.11Å; A21-F23 HydrophobicContact CB-CZ 4.2Å; A21-F23 VanDerWaalsContact O-CD2 3.24Å; A21-F23 WeakPolarHBondContact O-CD2 3.24Å; A21-F23 PolarHBondContact O-N 2.84Å
22	C	51	Low	48.3	Very low	93 Å²	93	123 Å²	123	63%	0.628	67%	0.673	S	S	*	*			trans	-77.7	104.2	165.6	-162.4	0	0	0	0	106.9	P20 V24	P20-C22 PolarHBondContact O-N 3.12Å; P20-C22 VanDerWaalsContact O-N 3.09Å; C22-V24 PolarHBondContact O-N 2.75Å
23	F	46.6	Very low	49.3	Very low	194 Å²	194	118.4 Å²	118.4	85%	0.851	65%	0.652	S	S	*	*			trans	-68.4	9.5	-170.5	-77.5	-83.8	0	0	0	115.4	A21	A21-F23 HydrophobicContact CB-CD2 4.47Å; A21-F23 HydrophobicContact CB-CE2 4.11Å; A21-F23 HydrophobicContact CB-CZ 4.2Å; A21-F23 VanDerWaalsContact O-CD2 3.24Å; A21-F23 WeakPolarHBondContact O-CD2 3.24Å; A21-F23 PolarHBondContact O-N 2.84Å
24	V	46.2	Very low	51.2	Low	98 Å²	98	116.6 Å²	116.6	59%	0.594	64%	0.643	S	S	*	*			trans	-111.5	96.9	-177.6	-158.8	0	0	0	0	108.9	C22 R64	C22-V24 PolarHBondContact O-N 2.75Å; V24-R64 PolarHBondContact O-NH2 2.75Å
25	H	47.2	Very low	53.5	Low	122 Å²	122	111.4 Å²	111.4	57%	0.565	61%	0.611	S	S	*	*			trans	135.1	105.2	160.2	-69.5	0.3	0	0	0	111.4	Y29	H25-Y29 HydrophobicContact CB-CE2 4.21Å
26	Q	40.6	Very low	56	Low	208 Å²	208	112.1 Å²	112.1	97%	0.972	60%	0.597	S	S	*	*			trans	-82.8	112.7	163.8	-71.7	177	-28.4	0	0	107.8
27	G	48.5	Very low	58.5	Low	46 Å²	46	106.9 Å²	106.9	47%	0.474	57%	0.566	S	S	.	*	S	Bend	trans	-162.9	157.5	172.6	0	0	0	0	0	108.5	Y29	G27-Y29 WeakPolarHBondContact O-CD2 3.05Å; G27-Y29 PolarHBondContact O-N 3.18Å
28	E	46.9	Very low	60.8	Low	204 Å²	204	101.5 Å²	101.5	95%	0.953	53%	0.528	S	S	*	.			trans	-64.1	82	177.8	-68.8	-174.4	157.9	0	0	110.9
29	Y	50.8	Low	63.2	Low	79 Å²	79	94.3 Å²	94.3	31%	0.31	50%	0.495	S	S	.	.			trans	-89.6	105.7	170.4	-62.5	-73.5	0	0	0	107.7	H25 G27 R64	H25-Y29 HydrophobicContact CB-CE2 4.21Å; G27-Y29 WeakPolarHBondContact O-CD2 3.05Å; G27-Y29 PolarHBondContact O-N 3.18Å; Y29-R64 HydrophobicContact CE1-CG 4.44Å
30	G	51.5	Low	65.4	Low	31 Å²	31	87.5 Å²	87.5	32%	0.32	46%	0.463	S	S	.	.			trans	-58.9	148.4	172.2	0	0	0	0	0	111.2	W32	G30-W32 VanDerWaalsContact O-CD1 3.26Å; G30-W32 PolarHBondContact O-N 3.09Å
31	Y	52.5	Low	67.7	Low	235 Å²	235	81.4 Å²	81.4	92%	0.922	42%	0.424	S	S	*	.	S	Bend	trans	-66.8	55.3	174.3	-104.2	-96.2	0	0	0	111.7	G33	Y31-G33 PolarHBondContact O-N 2.95Å
32	W	64.4	Low	69.8	Low	65 Å²	65	78.1 Å²	78.1	25%	0.246	40%	0.397	C	S	.	.			trans	-83.6	17.1	-178.7	-40.8	117.8	0	0	0	113.3	G30 N34 T35 M264 R265 S268	G30-W32 VanDerWaalsContact O-CD1 3.26Å; G30-W32 PolarHBondContact O-N 3.09Å; W32-N34 PolarHBondContact O-N 3.28Å; W32-T35 PolarHBondContact O-N 3.48Å; W32-T35 PolarHBondContact O-OG1 3.04Å; W32-M264 HydrophobicContact CB-CB 4.48Å; W32-M264 HydrophobicContact CB-CE 3.35Å; W32-M264 HydrophobicContact CD2-CB 4.47Å; W32-M264 HydrophobicContact CG-CB 4.12Å; W32-M264 HydrophobicContact CG-CE 4.14Å; W32-R265 HydrophobicContact CH2-CB 4.28Å; W32-R265 HydrophobicContact CH2-CG 4.36Å; W32-R265 HydrophobicContact CZ2-CB 4.07Å; W32-R265 HydrophobicContact CZ2-CG 4.45Å; W32-S268 WeakPolarHBondContact CZ3-OG 3.22Å
33	G	63.1	Low	72.1	Confident	33 Å²	33	73.7 Å²	73.7	34%	0.34	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	2.8	-163	0	0	0	0	0	117.4	Y31 G66	Y31-G33 PolarHBondContact O-N 2.95Å; G33-G66 CarbonylContact C-O 3.47Å; G33-G66 WeakPolarHBondContact CA-O 3.22Å; G33-G66 VanDerWaalsContact O-O 3.07Å
34	N	79.6	Confident	74.5	Confident	119 Å²	119	66 Å²	66	64%	0.636	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.9	-0.9	179.1	-77.9	-47.2	0	0	0	114.8	W32 K36	W32-N34 PolarHBondContact O-N 3.28Å; N34-K36 PolarHBondContact O-N 3.24Å
35	T	91.3	Very high	77	Confident	12 Å²	12	61.6 Å²	61.6	7%	0.074	31%	0.311	C	S	.	.			trans	-59.8	125.6	177.7	-53.6	0	0	0	0	109.7	W32 V37 R68 D125 M264	W32-T35 PolarHBondContact O-N 3.48Å; W32-T35 PolarHBondContact O-OG1 3.04Å; T35-V37 HydrophobicContact CG2-CG2 4.01Å; T35-R68 PolarHBondContact O-N 2.92Å; T35-D125 HydrophobicContact CG2-CB 3.79Å; T35-M264 HydrophobicContact CG2-CE 3.94Å; T35-M264 HydrophobicContact CG2-SD 3.83Å
36	K	95.3	Very high	79.3	Confident	102 Å²	102	57.5 Å²	57.5	44%	0.443	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118	179.6	-66.1	177.8	-170.9	168	0	110.1	N34 R68 S123 F124 D125 A126	N34-K36 PolarHBondContact O-N 3.24Å; K36-R68 CarbonylContact C-O 3.14Å; K36-R68 WeakPolarHBondContact CA-O 3.39Å; K36-S123 VanDerWaalsContact CD-O 3.22Å; K36-S123 WeakPolarHBondContact CD-O 3.33Å; K36-F124 HydrophobicContact CB-CD1 4.13Å; K36-D125 PolarHBondContact N-OD2 3.28Å; K36-D125 PolarHBondContact O-N 3.35Å; K36-A126 PolarHBondContact O-N 3.33Å
37	V	97.4	Very high	82	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.9	-177	-174.9	0	0	0	0	110.7	T35 V39 L62 A67 R68 F69 R70 A126 I128 M264	T35-V37 HydrophobicContact CG2-CG2 4.01Å; V37-V39 HydrophobicContact CG1-CG2 4.47Å; V37-L62 HydrophobicContact CB-CD1 4.38Å; V37-L62 HydrophobicContact CB-CD2 3.98Å; V37-L62 HydrophobicContact CG1-CD1 4.12Å; V37-L62 HydrophobicContact CG1-CD2 4.03Å; V37-L62 HydrophobicContact CG2-CD2 3.73Å; V37-A67 HydrophobicContact CG2-CB 4.37Å; V37-R68 PolarHBondContact N-O 2.77Å; V37-F69 HydrophobicContact CB-CB 4.24Å; V37-F69 CarbonylContact O-C 3.58Å; V37-F69 WeakPolarHBondContact O-CA 3.39Å; V37-F69 VanDerWaalsContact O-CB 3.29Å; V37-F69 WeakPolarHBondContact O-CB 3.17Å; V37-R70 PolarHBondContact O-N 3.38Å; V37-A126 HydrophobicContact CG1-CB 4.44Å; V37-A126 HydrophobicContact CG2-CB 4.39Å; V37-I128 HydrophobicContact CG1-CD1 4.04Å; V37-I128 HydrophobicContact CG1-CG1 4.13Å; V37-M264 HydrophobicContact CG2-SD 3.87Å
38	A	98.4	Very high	84.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.5	166.6	0	0	0	0	0	109.1	R70 F72 L119 F124 A126 V127 I128 F162	A38-R70 WeakPolarHBondContact CA-O 3.34Å; A38-F72 HydrophobicContact CB-CD2 4.11Å; A38-F72 HydrophobicContact CB-CE2 3.97Å; A38-L119 HydrophobicContact CB-CD1 3.8Å; A38-F124 HydrophobicContact CB-CB 4.48Å; A38-F124 HydrophobicContact CB-CD1 3.92Å; A38-F124 HydrophobicContact CB-CD2 4.2Å; A38-F124 HydrophobicContact CB-CE1 4.18Å; A38-F124 HydrophobicContact CB-CE2 4.45Å; A38-F124 HydrophobicContact CB-CG 3.93Å; A38-F124 HydrophobicContact CB-CZ 4.44Å; A38-A126 PolarHBondContact N-O 3.24Å; A38-V127 HydrophobicContact CB-CB 4.34Å; A38-V127 HydrophobicContact CB-CG2 4.09Å; A38-V127 CarbonylContact O-C 3.56Å; A38-V127 VanDerWaalsContact O-CA 3.24Å; A38-V127 WeakPolarHBondContact O-CA 3.2Å; A38-I128 PolarHBondContact O-N 3.11Å; A38-F162 HydrophobicContact CB-CZ 4.35Å
39	V	98.6	Very high	86.9	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.3	172.8	-175.5	0	0	0	0	107.8	V37 F41 T58 L62 F69 R70 T71 F72 I128 P130	V37-V39 HydrophobicContact CG1-CG2 4.47Å; V39-F41 HydrophobicContact CB-CE2 4.35Å; V39-F41 HydrophobicContact CG1-CD2 4.32Å; V39-F41 HydrophobicContact CG1-CE1 4.22Å; V39-F41 HydrophobicContact CG1-CE2 3.73Å; V39-F41 HydrophobicContact CG1-CZ 3.67Å; V39-T58 HydrophobicContact CG1-CG2 4.34Å; V39-T58 HydrophobicContact CG2-CG2 4.42Å; V39-L62 HydrophobicContact CG2-CD1 3.63Å; V39-F69 HydrophobicContact CG2-CB 4.25Å; V39-F69 HydrophobicContact CG2-CD2 4.49Å; V39-R70 PolarHBondContact N-O 2.87Å; V39-T71 HydrophobicContact CB-CG2 4.43Å; V39-T71 CarbonylContact O-C 3.5Å; V39-T71 VanDerWaalsContact O-CA 3.29Å; V39-T71 WeakPolarHBondContact O-CA 2.76Å; V39-F72 PolarHBondContact O-N 2.9Å; V39-I128 WeakPolarHBondContact CA-O 3.31Å; V39-P130 HydrophobicContact CG1-CG 3.97Å
40	V	98.8	Very high	89.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.8	-175.4	-176.1	0	0	0	0	110	F72 L116 L119 V127 I128 F129 P130	V40-F72 CarbonylContact C-O 3.59Å; V40-F72 WeakPolarHBondContact CA-O 3.31Å; V40-F72 HydrophobicContact CG2-CB 4.41Å; V40-L116 HydrophobicContact CB-CD1 4.42Å; V40-L116 HydrophobicContact CG1-CD1 3.78Å; V40-L116 HydrophobicContact CG1-CD2 3.94Å; V40-L116 HydrophobicContact CG1-CG 4.47Å; V40-L116 HydrophobicContact CG2-CD1 3.72Å; V40-L119 HydrophobicContact CG2-CD1 4.31Å; V40-V127 HydrophobicContact CG2-CG2 3.78Å; V40-I128 PolarHBondContact N-O 3.1Å; V40-F129 HydrophobicContact CB-CD1 3.67Å; V40-F129 HydrophobicContact CB-CE1 3.43Å; V40-F129 VanDerWaalsContact CB-CE1 3.43Å; V40-F129 HydrophobicContact CB-CE2 4.46Å; V40-F129 HydrophobicContact CB-CG 4.29Å; V40-F129 HydrophobicContact CB-CZ 3.87Å; V40-F129 HydrophobicContact CG1-CD1 3.92Å; V40-F129 HydrophobicContact CG1-CE1 3.44Å; V40-F129 VanDerWaalsContact CG1-CE1 3.44Å; V40-F129 HydrophobicContact CG1-CZ 4.14Å; V40-F129 HydrophobicContact CG2-CD1 4.49Å; V40-F129 HydrophobicContact CG2-CE1 3.93Å; V40-F129 HydrophobicContact CG2-CE2 4.31Å; V40-F129 HydrophobicContact CG2-CZ 3.82Å; V40-P130 WeakPolarHBondContact O-CD 3.47Å
41	F	98.8	Very high	91.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.			trans	-102.4	162.7	179	-66.2	-73.7	0	0	0	111.9	V39 S50 M59 T71 F72 A73 S101 F104 M113 P130	V39-F41 HydrophobicContact CB-CE2 4.35Å; V39-F41 HydrophobicContact CG1-CD2 4.32Å; V39-F41 HydrophobicContact CG1-CE1 4.22Å; V39-F41 HydrophobicContact CG1-CE2 3.73Å; V39-F41 HydrophobicContact CG1-CZ 3.67Å; F41-S50 WeakPolarHBondContact CA-OG 3.3Å; F41-M59 HydrophobicContact CE2-SD 4.48Å; F41-M59 HydrophobicContact CZ-CG 4.48Å; F41-M59 HydrophobicContact CZ-SD 3.95Å; F41-T71 HydrophobicContact CD2-CG2 4.39Å; F41-T71 HydrophobicContact CE2-CG2 3.66Å; F41-F72 PolarHBondContact N-O 3.28Å; F41-A73 HydrophobicContact CB-CB 4.47Å; F41-A73 WeakPolarHBondContact O-CB 3.42Å; F41-S101 WeakPolarHBondContact CB-OG 3.43Å; F41-F104 AromaticContact CD1-CD2 3.95Å; F41-F104 HydrophobicContact CD1-CD2 3.95Å; F41-F104 AromaticContact CD1-CE2 3.85Å; F41-F104 HydrophobicContact CD1-CE2 3.85Å; F41-F104 HydrophobicContact CD1-CG 4.49Å; F41-F104 HydrophobicContact CD1-CZ 4.28Å; F41-F104 HydrophobicContact CE1-CD1 4.14Å; F41-F104 AromaticContact CE1-CD2 3.94Å; F41-F104 HydrophobicContact CE1-CD2 3.94Å; F41-F104 HydrophobicContact CE1-CE1 4.18Å; F41-F104 AromaticContact CE1-CE2 3.99Å; F41-F104 HydrophobicContact CE1-CE2 3.99Å; F41-F104 HydrophobicContact CE1-CG 4.02Å; F41-F104 HydrophobicContact CE1-CZ 4.1Å; F41-F104 HydrophobicContact CE2-CB 4.38Å; F41-F104 HydrophobicContact CE2-CG 4.49Å; F41-F104 HydrophobicContact CG-CD2 4.28Å; F41-F104 HydrophobicContact CG-CE2 4.48Å; F41-F104 HydrophobicContact CZ-CB 4.23Å; F41-F104 HydrophobicContact CZ-CD1 4.28Å; F41-F104 HydrophobicContact CZ-CD2 4.26Å; F41-F104 HydrophobicContact CZ-CG 4.02Å; F41-M113 HydrophobicContact CD2-CE 3.95Å; F41-P130 HydrophobicContact CD1-CG 4.21Å; F41-P130 HydrophobicContact CE1-CG 3.84Å
42	S	98.6	Very high	93.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.			trans	-126.6	20	-176	56.6	0	0	0	0	114.2	G49 S50 G134 N138	S42-G49 WeakPolarHBondContact O-CA 3.15Å; S42-S50 PolarHBondContact N-OG 3Å; S42-S50 PolarHBondContact OG-N 3.04Å; S42-S50 PolarHBondContact OG-OG 3.38Å; S42-S50 VanDerWaalsContact OG-OG 3.07Å; S42-G134 WeakPolarHBondContact OG-CA 3.39Å; S42-N138 PolarHBondContact O-ND2 2.96Å
43	G	98.4	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.			trans	118.6	-169	-167	0	0	0	0	0	110.9	S50 S101	G43-S50 WeakPolarHBondContact O-CB 3.38Å; G43-S50 PolarHBondContact O-N 2.93Å; G43-S101 WeakPolarHBondContact CA-OG 3.4Å; G43-S101 PolarHBondContact N-OG 3.1Å
44	C	98.3	Very high	96.8	Very high	31 Å²	31	24.8 Å²	24.8	21%	0.209	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-135.2	93.4	-177.6	179.2	0	0	0	0	111.8	E100 R103 F104	C44-E100 HydrophobicContact CB-CB 4.27Å; C44-E100 VanDerWaalsContact CB-O 3.24Å; C44-E100 WeakPolarHBondContact CB-O 3.42Å; C44-R103 HydrophobicContact CB-CB 4.47Å; C44-F104 HydrophobicContact CB-CE2 4.02Å
45	G	97.9	Very high	97.7	Very high	6 Å²	6	19.1 Å²	19.1	6%	0.062	9%	0.093	C	C	.	.	S	Bend	trans	153.1	140	-178.1	0	0	0	0	0	111.9	W47 G49 S50 H84	G45-W47 VanDerWaalsContact C-N 3.28Å; G45-W47 PolarHBondContact O-N 2.73Å; G45-G49 CarbonylContact O-C 3.08Å; G45-G49 VanDerWaalsContact O-CA 3.26Å; G45-G49 WeakPolarHBondContact O-CA 3.39Å; G45-G49 PolarHBondContact O-N 3.28Å; G45-G49 VanDerWaalsContact O-O 3.12Å; G45-S50 CarbonylContact C-O 3.57Å; G45-S50 PolarHBondContact N-O 3.43Å; G45-H84 WeakPolarHBondContact CA-NE2 3.44Å
46	W	96.6	Very high	98.1	Very high	36 Å²	36	22 Å²	22	14%	0.136	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.8	-178.1	169.5	-108.1	0	0	0	113.5	D51 H84 H133 M174 F241	W46-D51 HydrophobicContact CE3-CB 3.86Å; W46-D51 HydrophobicContact CZ3-CB 4.38Å; W46-H84 PolarHBondContact N-NE2 3.02Å; W46-H133 AromaticContact CD1-ND1 3.93Å; W46-H133 AromaticContact CD2-ND1 3.89Å; W46-H133 AromaticContact CE2-CE1 3.38Å; W46-H133 AromaticContact CE2-ND1 3.48Å; W46-H133 AromaticContact CZ2-CE1 3.5Å; W46-H133 VanDerWaalsContact CZ2-CE1 3.5Å; W46-H133 WeakPolarHBondContact CZ2-CE1 3.28Å; W46-H133 AromaticContact CZ2-ND1 3.87Å; W46-H133 AromaticContact NE1-CE1 3.31Å; W46-H133 PolarHBondContact NE1-CE1 3.24Å; W46-H133 VanDerWaalsContact NE1-CE1 3.31Å; W46-H133 AromaticContact NE1-ND1 3.52Å; W46-H133 VanDerWaalsContact O-CB 3.24Å; W46-H133 WeakPolarHBondContact O-CB 3.5Å; W46-H133 PolarHBondContact O-N 2.86Å; W46-H133 PolarHBondContact O-ND1 2.88Å; W46-M174 HydrophobicContact CH2-CE 3.98Å; W46-M174 HydrophobicContact CZ2-CE 4.02Å; W46-F241 HydrophobicContact CE3-CB 4.38Å; W46-F241 HydrophobicContact CH2-CB 3.61Å; W46-F241 WeakPolarHBondContact CH2-O 3.1Å; W46-F241 HydrophobicContact CZ3-CB 3.51Å; W46-F241 HydrophobicContact CZ3-CD2 4.48Å; W46-F241 HydrophobicContact CZ3-CG 4.33Å
47	W	97.3	Very high	98.2	Very high	65 Å²	65	19 Å²	19	25%	0.246	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-17.2	-171.5	-70.9	114.5	0	0	0	114.9	G45 M82 H84 H133 K137	G45-W47 VanDerWaalsContact C-N 3.28Å; G45-W47 PolarHBondContact O-N 2.73Å; W47-M82 HydrophobicContact CB-CB 3.88Å; W47-M82 HydrophobicContact CB-CE 4.3Å; W47-M82 HydrophobicContact CB-CG 3.82Å; W47-H84 AromaticContact CD1-CD2 3.68Å; W47-H84 PolarHBondContact N-NE2 2.69Å; W47-H84 VanDerWaalsContact N-NE2 3.12Å; W47-H133 AromaticContact CE3-CD2 3.94Å; W47-H133 AromaticContact CE3-CE1 3.43Å; W47-H133 VanDerWaalsContact CE3-CE1 3.43Å; W47-H133 AromaticContact CE3-CG 3.92Å; W47-H133 AromaticContact CE3-ND1 3.6Å; W47-H133 AromaticContact CE3-NE2 3.63Å; W47-H133 AromaticContact CH2-CE1 3.95Å; W47-H133 AromaticContact CZ3-CD2 3.98Å; W47-H133 AromaticContact CZ3-CE1 3.23Å; W47-H133 WeakPolarHBondContact CZ3-CE1 3.35Å; W47-H133 AromaticContact CZ3-ND1 3.91Å; W47-H133 AromaticContact CZ3-NE2 3.24Å; W47-H133 WeakPolarHBondContact CZ3-NE2 3.33Å; W47-H133 WeakPolarHBondContact O-CB 3.29Å; W47-K137 PolarHBondContact O-NZ 2.97Å
48	D	97.8	Very high	98.3	Very high	5 Å²	5	19 Å²	19	3%	0.027	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	0.8	-175.7	64	4.9	0	0	0	115	Q78 Q80 M82 H84 N138	D48-Q78 PolarHBondContact O-NE2 3.12Å; D48-Q80 WeakPolarHBondContact CB-O 3.49Å; D48-M82 HydrophobicContact CB-CB 4.05Å; D48-M82 HydrophobicContact CB-CG 3.79Å; D48-M82 PolarHBondContact OD2-N 2.88Å; D48-H84 IonicContact OD1-CE1 3Å; D48-H84 PolarHBondContact OD1-CE1 3.4Å; D48-H84 VanDerWaalsContact OD1-CE1 3.31Å; D48-H84 IonicContact OD1-NE2 3.54Å; D48-H84 IonicContact OD2-CE1 3.72Å; D48-N138 PolarHBondContact O-ND2 3.27Å
49	G	98.6	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-153.2	-151.9	-178.2	0	0	0	0	0	112.9	S42 G45 G132 G134	S42-G49 WeakPolarHBondContact O-CA 3.15Å; G45-G49 CarbonylContact O-C 3.08Å; G45-G49 VanDerWaalsContact O-CA 3.26Å; G45-G49 WeakPolarHBondContact O-CA 3.39Å; G45-G49 PolarHBondContact O-N 3.28Å; G45-G49 VanDerWaalsContact O-O 3.12Å; G49-G132 CarbonylContact O-C 3.5Å; G49-G134 WeakPolarHBondContact O-CA 3.49Å; G49-G134 PolarHBondContact O-N 3.35Å
50	S	98.7	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-77.3	143.2	170	-67.4	0	0	0	0	110.8	F41 S42 G43 G45 V52 G131	F41-S50 WeakPolarHBondContact CA-OG 3.3Å; S42-S50 PolarHBondContact N-OG 3Å; S42-S50 PolarHBondContact OG-N 3.04Å; S42-S50 PolarHBondContact OG-OG 3.38Å; S42-S50 VanDerWaalsContact OG-OG 3.07Å; G43-S50 WeakPolarHBondContact O-CB 3.38Å; G43-S50 PolarHBondContact O-N 2.93Å; G45-S50 CarbonylContact C-O 3.57Å; G45-S50 PolarHBondContact N-O 3.43Å; S50-V52 PolarHBondContact O-N 3.17Å; S50-G131 VanDerWaalsContact CA-O 3.26Å; S50-G131 WeakPolarHBondContact CA-O 3.38Å
51	D	98.4	Very high	98	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.053	13%	0.127	C	C	.	.			trans	-60.9	132.8	173	-176.1	-100.7	0	0	0	111.1	W46 H53 E54 G55 G131 F241	W46-D51 HydrophobicContact CE3-CB 3.86Å; W46-D51 HydrophobicContact CZ3-CB 4.38Å; D51-H53 WeakPolarHBondContact OD1-CA 3.4Å; D51-H53 WeakPolarHBondContact OD1-CB 3.44Å; D51-H53 PolarHBondContact OD1-N 3.36Å; D51-E54 HydrophobicContact CB-CB 4.1Å; D51-E54 HydrophobicContact CB-CG 4.06Å; D51-E54 PolarHBondContact OD1-N 2.88Å; D51-G55 PolarHBondContact O-N 3.45Å; D51-G131 PolarHBondContact N-O 2.91Å; D51-F241 VanDerWaalsContact OD1-CE2 3.24Å; D51-F241 WeakPolarHBondContact OD1-CE2 3.46Å
52	V	98.3	Very high	97.8	Very high	59 Å²	59	26.1 Å²	26.1	36%	0.358	13%	0.127	S	C	.	.	H	α-helix	trans	-68.3	-39.7	-174.9	179.4	0	0	0	0	110.9	S50 V56 F104	S50-V52 PolarHBondContact O-N 3.17Å; V52-V56 WeakPolarHBondContact O-CB 3.24Å; V52-V56 VanDerWaalsContact O-CG2 3.24Å; V52-V56 WeakPolarHBondContact O-CG2 3.45Å; V52-V56 PolarHBondContact O-N 3.48Å; V52-F104 HydrophobicContact CB-CE1 4.49Å; V52-F104 HydrophobicContact CG1-CE1 4.36Å; V52-F104 HydrophobicContact CG2-CZ 4.41Å
53	H	98.4	Very high	97.5	Very high	75 Å²	75	29.6 Å²	29.6	35%	0.347	15%	0.151	S	C	.	.	H	α-helix	trans	-73.1	-47	-177.9	-61.4	-88.2	0	0	0	110.7	D51 G55 V56 Y57 F241 Y249	D51-H53 WeakPolarHBondContact OD1-CA 3.4Å; D51-H53 WeakPolarHBondContact OD1-CB 3.44Å; D51-H53 PolarHBondContact OD1-N 3.36Å; H53-G55 VanDerWaalsContact C-N 3.31Å; H53-G55 PolarHBondContact O-N 3.48Å; H53-V56 PolarHBondContact O-N 3.23Å; H53-Y57 HydrophobicContact CB-CD2 4.36Å; H53-Y57 HydrophobicContact CB-CE2 3.9Å; H53-Y57 VanDerWaalsContact O-CB 3.27Å; H53-Y57 WeakPolarHBondContact O-CB 3.35Å; H53-Y57 WeakPolarHBondContact O-CD1 3.48Å; H53-Y57 VanDerWaalsContact O-CD2 3.31Å; H53-Y57 WeakPolarHBondContact O-CD2 3.27Å; H53-Y57 PolarHBondContact O-N 2.92Å; H53-F241 HydrophobicContact CB-CE2 3.75Å; H53-F241 HydrophobicContact CB-CZ 3.98Å; H53-Y249 HydrophobicContact CB-CD1 4.42Å; H53-Y249 HydrophobicContact CB-CE1 4.47Å; H53-Y249 AromaticContact CD2-CE1 3.58Å; H53-Y249 AromaticContact CE1-CD1 3.93Å; H53-Y249 AromaticContact CE1-CE1 3.61Å; H53-Y249 AromaticContact CG-CD1 3.89Å; H53-Y249 AromaticContact CG-CE1 3.7Å; H53-Y249 AromaticContact ND1-CD1 3.69Å; H53-Y249 AromaticContact ND1-CE1 3.72Å; H53-Y249 AromaticContact NE2-CE1 3.53Å
54	E	98.4	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-40	176.5	-62.8	-173.4	-175.6	0	0	112.2	D51 T58 P130 G131 A172 S173 S240 F241	D51-E54 HydrophobicContact CB-CB 4.1Å; D51-E54 HydrophobicContact CB-CG 4.06Å; D51-E54 PolarHBondContact OD1-N 2.88Å; E54-T58 VanDerWaalsContact O-CB 3.22Å; E54-T58 WeakPolarHBondContact O-CB 3.11Å; E54-T58 PolarHBondContact O-N 2.91Å; E54-T58 PolarHBondContact O-OG1 3.03Å; E54-P130 HydrophobicContact CB-CB 4.19Å; E54-G131 WeakPolarHBondContact OE2-CA 3.22Å; E54-G131 PolarHBondContact OE2-N 3.09Å; E54-A172 VanDerWaalsContact OE2-CB 3.27Å; E54-A172 WeakPolarHBondContact OE2-CB 3.24Å; E54-S173 WeakPolarHBondContact OE1-CB 3.37Å; E54-S240 VanDerWaalsContact CG-OG 3.32Å; E54-S240 WeakPolarHBondContact CG-OG 3.48Å; E54-S240 VanDerWaalsContact OE1-CB 3.24Å; E54-S240 WeakPolarHBondContact OE1-CB 3.44Å; E54-S240 PolarHBondContact OE1-OG 3.14Å; E54-F241 HydrophobicContact CG-CD2 3.64Å; E54-F241 HydrophobicContact CG-CE2 3.89Å; E54-F241 VanDerWaalsContact OE1-CD2 3.3Å; E54-F241 WeakPolarHBondContact OE1-CD2 3.23Å; E54-F241 PolarHBondContact OE1-N 2.97Å
55	G	98.2	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.5	-50.4	175.3	0	0	0	0	0	112.2	D51 H53 T58 M59	D51-G55 PolarHBondContact O-N 3.45Å; H53-G55 VanDerWaalsContact C-N 3.31Å; H53-G55 PolarHBondContact O-N 3.48Å; G55-T58 PolarHBondContact O-N 3.19Å; G55-M59 WeakPolarHBondContact O-CG 3.22Å; G55-M59 PolarHBondContact O-N 3.45Å; G55-M59 VanDerWaalsContact O-N 3.1Å
56	V	98	Very high	96.1	Very high	72 Å²	72	31.7 Å²	31.7	44%	0.436	16%	0.155	S	C	.	.	H	α-helix	trans	-66.3	-42.7	178.6	170.5	0	0	0	0	111.7	V52 H53 T58 M59 Y60 F104	V52-V56 WeakPolarHBondContact O-CB 3.24Å; V52-V56 VanDerWaalsContact O-CG2 3.24Å; V52-V56 WeakPolarHBondContact O-CG2 3.45Å; V52-V56 PolarHBondContact O-N 3.48Å; H53-V56 PolarHBondContact O-N 3.23Å; V56-T58 VanDerWaalsContact C-N 3.35Å; V56-T58 PolarHBondContact O-N 3.24Å; V56-M59 PolarHBondContact O-N 3.38Å; V56-Y60 VanDerWaalsContact O-CB 3.29Å; V56-Y60 WeakPolarHBondContact O-CB 3.23Å; V56-Y60 PolarHBondContact O-N 2.76Å; V56-F104 HydrophobicContact CG2-CD1 4.22Å; V56-F104 HydrophobicContact CG2-CE1 4.33Å
57	Y	98.5	Very high	95.9	Very high	41 Å²	41	30.5 Å²	30.5	16%	0.161	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-39.8	178.3	-63.6	-16.1	0	0	0	111.5	H53 Y60 H61 I252 F253	H53-Y57 HydrophobicContact CB-CD2 4.36Å; H53-Y57 HydrophobicContact CB-CE2 3.9Å; H53-Y57 VanDerWaalsContact O-CB 3.27Å; H53-Y57 WeakPolarHBondContact O-CB 3.35Å; H53-Y57 WeakPolarHBondContact O-CD1 3.48Å; H53-Y57 VanDerWaalsContact O-CD2 3.31Å; H53-Y57 WeakPolarHBondContact O-CD2 3.27Å; H53-Y57 PolarHBondContact O-N 2.92Å; Y57-Y60 PolarHBondContact O-N 3.22Å; Y57-H61 WeakPolarHBondContact O-CB 3.38Å; Y57-H61 PolarHBondContact O-CD2 3.41Å; Y57-H61 PolarHBondContact O-N 2.94Å; Y57-I252 HydrophobicContact CD2-CG2 4.39Å; Y57-I252 HydrophobicContact CE2-CB 4.44Å; Y57-I252 HydrophobicContact CE2-CG2 4.37Å; Y57-F253 AromaticContact CD1-CD2 3.59Å; Y57-F253 HydrophobicContact CD1-CD2 3.59Å; Y57-F253 HydrophobicContact CD1-CE2 4.34Å; Y57-F253 HydrophobicContact CD2-CB 3.91Å; Y57-F253 HydrophobicContact CD2-CD2 4.27Å; Y57-F253 AromaticContact CE1-CD2 3.92Å; Y57-F253 HydrophobicContact CE1-CD2 3.92Å; Y57-F253 HydrophobicContact CE2-CB 3.85Å; Y57-F253 HydrophobicContact CG-CB 4.28Å; Y57-F253 AromaticContact CG-CD2 3.78Å; Y57-F253 HydrophobicContact CG-CD2 3.78Å
58	T	98.6	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.7	-51.6	173.7	-64.4	0	0	0	0	110.5	V39 E54 G55 V56 Y60 H61 L62 I128 V256 V260	V39-T58 HydrophobicContact CG1-CG2 4.34Å; V39-T58 HydrophobicContact CG2-CG2 4.42Å; E54-T58 VanDerWaalsContact O-CB 3.22Å; E54-T58 WeakPolarHBondContact O-CB 3.11Å; E54-T58 PolarHBondContact O-N 2.91Å; E54-T58 PolarHBondContact O-OG1 3.03Å; G55-T58 PolarHBondContact O-N 3.19Å; V56-T58 VanDerWaalsContact C-N 3.35Å; V56-T58 PolarHBondContact O-N 3.24Å; T58-Y60 PolarHBondContact O-N 3.24Å; T58-H61 PolarHBondContact O-N 3.46Å; T58-L62 HydrophobicContact CG2-CD1 3.87Å; T58-L62 WeakPolarHBondContact O-CB 3.13Å; T58-L62 VanDerWaalsContact O-CG 3.24Å; T58-L62 WeakPolarHBondContact O-CG 3.2Å; T58-L62 PolarHBondContact O-N 2.88Å; T58-I128 HydrophobicContact CG2-CB 4.31Å; T58-I128 HydrophobicContact CG2-CD1 4.23Å; T58-I128 HydrophobicContact CG2-CG2 3.65Å; T58-V256 WeakPolarHBondContact OG1-CG1 3.43Å; T58-V260 HydrophobicContact CG2-CG2 4.48Å
59	M	96.8	Very high	95.3	Very high	31 Å²	31	37.1 Å²	37.1	15%	0.153	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-39.8	178.9	-69.7	170.6	65.7	0	0	112.4	F41 G55 V56 S63 F69 F104 I105	F41-M59 HydrophobicContact CE2-SD 4.48Å; F41-M59 HydrophobicContact CZ-CG 4.48Å; F41-M59 HydrophobicContact CZ-SD 3.95Å; G55-M59 WeakPolarHBondContact O-CG 3.22Å; G55-M59 PolarHBondContact O-N 3.45Å; G55-M59 VanDerWaalsContact O-N 3.1Å; V56-M59 PolarHBondContact O-N 3.38Å; M59-S63 VanDerWaalsContact O-CB 3.27Å; M59-S63 WeakPolarHBondContact O-CB 3.42Å; M59-S63 PolarHBondContact O-N 2.88Å; M59-F69 HydrophobicContact CB-CE2 4.14Å; M59-F69 HydrophobicContact CB-CZ 3.88Å; M59-F69 HydrophobicContact CE-CE2 3.76Å; M59-F69 HydrophobicContact CE-CZ 4.13Å; M59-F69 HydrophobicContact CG-CD2 4.45Å; M59-F69 HydrophobicContact CG-CE2 3.78Å; M59-F69 HydrophobicContact CG-CZ 4.07Å; M59-F69 HydrophobicContact SD-CE2 4.48Å; M59-F104 HydrophobicContact SD-CB 4.25Å; M59-I105 HydrophobicContact CE-CG2 3.98Å
60	Y	96.3	Very high	95.2	Very high	103 Å²	103	41.6 Å²	41.6	40%	0.404	20%	0.196	S	C	.	.	H	α-helix	trans	-59.4	-53.5	175.8	173	-86.4	0	0	0	110.7	V56 Y57 T58 L62 S63 R64 F253	V56-Y60 VanDerWaalsContact O-CB 3.29Å; V56-Y60 WeakPolarHBondContact O-CB 3.23Å; V56-Y60 PolarHBondContact O-N 2.76Å; Y57-Y60 PolarHBondContact O-N 3.22Å; T58-Y60 PolarHBondContact O-N 3.24Å; Y60-L62 PolarHBondContact O-N 3.5Å; Y60-S63 WeakPolarHBondContact O-CB 3.49Å; Y60-S63 PolarHBondContact O-N 2.73Å; Y60-R64 HydrophobicContact CE1-CB 4.23Å; Y60-R64 HydrophobicContact CE1-CG 4.41Å; Y60-R64 VanDerWaalsContact O-CB 3.31Å; Y60-R64 WeakPolarHBondContact O-CB 3.48Å; Y60-R64 PolarHBondContact O-N 3.37Å; Y60-F253 AromaticContact CD1-CE2 3.47Å; Y60-F253 HydrophobicContact CD1-CE2 3.47Å; Y60-F253 VanDerWaalsContact CD1-CE2 3.47Å; Y60-F253 AromaticContact CD1-CZ 3.69Å; Y60-F253 HydrophobicContact CD1-CZ 3.69Å; Y60-F253 AromaticContact CE1-CE2 3.64Å; Y60-F253 HydrophobicContact CE1-CE2 3.64Å; Y60-F253 AromaticContact CE1-CZ 3.36Å; Y60-F253 HydrophobicContact CE1-CZ 3.36Å; Y60-F253 HydrophobicContact CG-CE2 4.17Å
61	H	96.6	Very high	95.1	Very high	15 Å²	15	41.7 Å²	41.7	7%	0.069	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-37.4	-177.1	-76.6	-63.7	0	0	0	111.8	Y57 T58 R64 N65 F253 G257 V260	Y57-H61 WeakPolarHBondContact O-CB 3.38Å; Y57-H61 PolarHBondContact O-CD2 3.41Å; Y57-H61 PolarHBondContact O-N 2.94Å; T58-H61 PolarHBondContact O-N 3.46Å; H61-R64 PolarHBondContact O-N 3.41Å; H61-N65 WeakPolarHBondContact O-CB 3.28Å; H61-N65 PolarHBondContact O-N 2.79Å; H61-N65 PolarHBondContact O-ND2 2.98Å; H61-F253 AromaticContact CE1-CD1 3.98Å; H61-F253 AromaticContact CE1-CE1 3.4Å; H61-F253 WeakPolarHBondContact CE1-CE1 3.39Å; H61-F253 AromaticContact CE1-CE2 3.76Å; H61-F253 AromaticContact CE1-CZ 3.3Å; H61-F253 WeakPolarHBondContact CE1-CZ 3.42Å; H61-F253 AromaticContact NE2-CD1 3.73Å; H61-F253 AromaticContact NE2-CD2 3.59Å; H61-F253 AromaticContact NE2-CE1 3.58Å; H61-F253 AromaticContact NE2-CE2 3.44Å; H61-F253 WeakPolarHBondContact NE2-CE2 3.49Å; H61-F253 AromaticContact NE2-CG 3.75Å; H61-F253 AromaticContact NE2-CZ 3.45Å; H61-F253 WeakPolarHBondContact NE2-CZ 3.42Å; H61-F253 PolarHBondContact NE2-O 3.48Å; H61-G257 WeakPolarHBondContact CD2-CA 3.41Å; H61-G257 PolarHBondContact CD2-N 3.17Å; H61-G257 VanDerWaalsContact CG-CA 3.45Å; H61-G257 VanDerWaalsContact NE2-CA 3.34Å; H61-G257 WeakPolarHBondContact NE2-CA 3.34Å; H61-V260 HydrophobicContact CB-CB 3.93Å; H61-V260 HydrophobicContact CB-CG1 3.94Å; H61-V260 HydrophobicContact CB-CG2 3.98Å
62	L	94.6	Very high	95.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-50	172.3	-76.8	170.9	0	0	0	111.2	V37 V39 T58 Y60 R64 N65 G66 A67 F69 I128 V260 M264	V37-L62 HydrophobicContact CB-CD1 4.38Å; V37-L62 HydrophobicContact CB-CD2 3.98Å; V37-L62 HydrophobicContact CG1-CD1 4.12Å; V37-L62 HydrophobicContact CG1-CD2 4.03Å; V37-L62 HydrophobicContact CG2-CD2 3.73Å; V39-L62 HydrophobicContact CG2-CD1 3.63Å; T58-L62 HydrophobicContact CG2-CD1 3.87Å; T58-L62 WeakPolarHBondContact O-CB 3.13Å; T58-L62 VanDerWaalsContact O-CG 3.24Å; T58-L62 WeakPolarHBondContact O-CG 3.2Å; T58-L62 PolarHBondContact O-N 2.88Å; Y60-L62 PolarHBondContact O-N 3.5Å; L62-R64 PolarHBondContact O-N 2.78Å; L62-N65 PolarHBondContact O-N 3.25Å; L62-G66 PolarHBondContact O-N 3.46Å; L62-A67 HydrophobicContact CB-CB 4.04Å; L62-A67 HydrophobicContact CD2-CB 3.79Å; L62-A67 VanDerWaalsContact O-CB 3.24Å; L62-A67 WeakPolarHBondContact O-CB 3.34Å; L62-A67 PolarHBondContact O-N 3.03Å; L62-F69 HydrophobicContact CB-CD1 3.71Å; L62-F69 HydrophobicContact CB-CE1 4.09Å; L62-F69 HydrophobicContact CB-CG 4.47Å; L62-F69 HydrophobicContact CD1-CB 4.06Å; L62-F69 HydrophobicContact CD1-CD1 4.19Å; L62-F69 HydrophobicContact CD1-CG 4.14Å; L62-I128 HydrophobicContact CD1-CD1 4.31Å; L62-I128 HydrophobicContact CD2-CD1 4.15Å; L62-I128 HydrophobicContact CG-CD1 4.45Å; L62-V260 HydrophobicContact CD2-CG1 3.82Å; L62-V260 HydrophobicContact CG-CG1 4.04Å; L62-V260 HydrophobicContact CG-CG2 4.35Å; L62-M264 HydrophobicContact CD2-SD 3.9Å
63	S	91.9	Very high	95.2	Very high	72 Å²	72	38.5 Å²	38.5	50%	0.503	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-46.2	176.8	-175.6	0	0	0	0	111.9	M59 Y60 N65 G66	M59-S63 VanDerWaalsContact O-CB 3.27Å; M59-S63 WeakPolarHBondContact O-CB 3.42Å; M59-S63 PolarHBondContact O-N 2.88Å; Y60-S63 WeakPolarHBondContact O-CB 3.49Å; Y60-S63 PolarHBondContact O-N 2.73Å; S63-N65 PolarHBondContact O-N 2.94Å; S63-G66 PolarHBondContact O-N 2.85Å
64	R	90.3	Very high	95.2	Very high	67 Å²	67	34.9 Å²	34.9	25%	0.253	16%	0.161	S	C	.	.	H	α-helix	trans	-62.5	-31.5	-178.6	-172.3	64.9	-178.5	101.3	-11.2	112.6	V24 Y29 Y60 H61 L62 G66	V24-R64 PolarHBondContact O-NH2 2.75Å; Y29-R64 HydrophobicContact CE1-CG 4.44Å; Y60-R64 HydrophobicContact CE1-CB 4.23Å; Y60-R64 HydrophobicContact CE1-CG 4.41Å; Y60-R64 VanDerWaalsContact O-CB 3.31Å; Y60-R64 WeakPolarHBondContact O-CB 3.48Å; Y60-R64 PolarHBondContact O-N 3.37Å; H61-R64 PolarHBondContact O-N 3.41Å; L62-R64 PolarHBondContact O-N 2.78Å; R64-G66 VanDerWaalsContact C-N 3.33Å
65	N	88.4	Confident	95.2	Very high	8 Å²	8	39 Å²	39	4%	0.043	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	10.3	176	-72	-83.4	0	0	0	113.1	H61 L62 S63 A67	H61-N65 WeakPolarHBondContact O-CB 3.28Å; H61-N65 PolarHBondContact O-N 2.79Å; H61-N65 PolarHBondContact O-ND2 2.98Å; L62-N65 PolarHBondContact O-N 3.25Å; S63-N65 PolarHBondContact O-N 2.94Å; N65-A67 VanDerWaalsContact C-N 3.31Å; N65-A67 PolarHBondContact O-N 3.48Å
66	G	87.7	Confident	95.2	Very high	6 Å²	6	43.6 Å²	43.6	6%	0.062	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	10.2	175.4	0	0	0	0	0	115.1	G33 L62 S63 R64	G33-G66 CarbonylContact C-O 3.47Å; G33-G66 WeakPolarHBondContact CA-O 3.22Å; G33-G66 VanDerWaalsContact O-O 3.07Å; L62-G66 PolarHBondContact O-N 3.46Å; S63-G66 PolarHBondContact O-N 2.85Å; R64-G66 VanDerWaalsContact C-N 3.33Å
67	A	91.1	Very high	95.2	Very high	11 Å²	11	45.2 Å²	45.2	9%	0.091	21%	0.207	C	C	.	.			trans	-65.8	150.1	178.5	0	0	0	0	0	111.7	V37 L62 N65 M264	V37-A67 HydrophobicContact CG2-CB 4.37Å; L62-A67 HydrophobicContact CB-CB 4.04Å; L62-A67 HydrophobicContact CD2-CB 3.79Å; L62-A67 VanDerWaalsContact O-CB 3.24Å; L62-A67 WeakPolarHBondContact O-CB 3.34Å; L62-A67 PolarHBondContact O-N 3.03Å; N65-A67 VanDerWaalsContact C-N 3.31Å; N65-A67 PolarHBondContact O-N 3.48Å; A67-M264 HydrophobicContact CB-CE 3.5Å; A67-M264 VanDerWaalsContact CB-CE 3.5Å; A67-M264 HydrophobicContact CB-SD 3.72Å
68	R	90.8	Very high	95.1	Very high	157 Å²	157	43.8 Å²	43.8	59%	0.592	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	109.1	169.8	-56.1	-176.9	90.1	168.5	11.1	108.1	T35 K36 V37	T35-R68 PolarHBondContact O-N 2.92Å; K36-R68 CarbonylContact C-O 3.14Å; K36-R68 WeakPolarHBondContact CA-O 3.39Å; V37-R68 PolarHBondContact N-O 2.77Å
69	F	93.6	Very high	95	Very high	53 Å²	53	48.8 Å²	48.8	23%	0.232	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.6	-177.1	61.4	-91.7	0	0	0	113.6	V37 V39 M59 L62 T71	V37-F69 HydrophobicContact CB-CB 4.24Å; V37-F69 CarbonylContact O-C 3.58Å; V37-F69 WeakPolarHBondContact O-CA 3.39Å; V37-F69 VanDerWaalsContact O-CB 3.29Å; V37-F69 WeakPolarHBondContact O-CB 3.17Å; V39-F69 HydrophobicContact CG2-CB 4.25Å; V39-F69 HydrophobicContact CG2-CD2 4.49Å; M59-F69 HydrophobicContact CB-CE2 4.14Å; M59-F69 HydrophobicContact CB-CZ 3.88Å; M59-F69 HydrophobicContact CE-CE2 3.76Å; M59-F69 HydrophobicContact CE-CZ 4.13Å; M59-F69 HydrophobicContact CG-CD2 4.45Å; M59-F69 HydrophobicContact CG-CE2 3.78Å; M59-F69 HydrophobicContact CG-CZ 4.07Å; M59-F69 HydrophobicContact SD-CE2 4.48Å; L62-F69 HydrophobicContact CB-CD1 3.71Å; L62-F69 HydrophobicContact CB-CE1 4.09Å; L62-F69 HydrophobicContact CB-CG 4.47Å; L62-F69 HydrophobicContact CD1-CB 4.06Å; L62-F69 HydrophobicContact CD1-CD1 4.19Å; L62-F69 HydrophobicContact CD1-CG 4.14Å; F69-T71 HydrophobicContact CD2-CG2 4.32Å
70	R	95.7	Very high	95	Very high	93 Å²	93	50.4 Å²	50.4	35%	0.351	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.5	168.4	-70.1	-173.7	170.9	-175.9	3.2	109.5	V37 A38 V39 F72 F124	V37-R70 PolarHBondContact O-N 3.38Å; A38-R70 WeakPolarHBondContact CA-O 3.34Å; V39-R70 PolarHBondContact N-O 2.87Å; R70-F72 HydrophobicContact CB-CE2 3.83Å; R70-F72 HydrophobicContact CB-CZ 4.29Å; R70-F124 HydrophobicContact CB-CE1 3.82Å; R70-F124 HydrophobicContact CB-CZ 3.87Å; R70-F124 HydrophobicContact CG-CE1 4.16Å; R70-F124 HydrophobicContact CG-CZ 4.24Å
71	T	97.3	Very high	95	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137	-173.3	59.9	0	0	0	0	110.3	V39 F41 F69 I105 M113 Q114	V39-T71 HydrophobicContact CB-CG2 4.43Å; V39-T71 CarbonylContact O-C 3.5Å; V39-T71 VanDerWaalsContact O-CA 3.29Å; V39-T71 WeakPolarHBondContact O-CA 2.76Å; F41-T71 HydrophobicContact CD2-CG2 4.39Å; F41-T71 HydrophobicContact CE2-CG2 3.66Å; F69-T71 HydrophobicContact CD2-CG2 4.32Å; T71-I105 HydrophobicContact CG2-CG2 3.85Å; T71-M113 VanDerWaalsContact C-SD 3.56Å; T71-Q114 PolarHBondContact O-N 3.37Å
72	F	98.6	Very high	95.1	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.3	-178.5	-62.5	-94.4	0	0	0	110.6	A38 V39 V40 F41 R70 Q114 L116 L119 F124	A38-F72 HydrophobicContact CB-CD2 4.11Å; A38-F72 HydrophobicContact CB-CE2 3.97Å; V39-F72 PolarHBondContact O-N 2.9Å; V40-F72 CarbonylContact C-O 3.59Å; V40-F72 WeakPolarHBondContact CA-O 3.31Å; V40-F72 HydrophobicContact CG2-CB 4.41Å; F41-F72 PolarHBondContact N-O 3.28Å; R70-F72 HydrophobicContact CB-CE2 3.83Å; R70-F72 HydrophobicContact CB-CZ 4.29Å; F72-Q114 VanDerWaalsContact CA-O 3.24Å; F72-Q114 WeakPolarHBondContact CA-O 3.18Å; F72-Q114 HydrophobicContact CD1-CB 3.53Å; F72-Q114 HydrophobicContact CE1-CB 3.53Å; F72-Q114 HydrophobicContact CE1-CG 4.35Å; F72-Q114 HydrophobicContact CG-CB 4.41Å; F72-Q114 HydrophobicContact CZ-CB 4.4Å; F72-L116 HydrophobicContact CB-CB 4.45Å; F72-L116 HydrophobicContact CB-CD1 3.79Å; F72-L116 HydrophobicContact CG-CD1 4.47Å; F72-L119 HydrophobicContact CD1-CB 3.92Å; F72-L119 HydrophobicContact CD1-CD1 4.33Å; F72-L119 HydrophobicContact CD1-CG 4.32Å; F72-L119 HydrophobicContact CD2-CD1 3.81Å; F72-L119 HydrophobicContact CD2-CG 4.31Å; F72-L119 HydrophobicContact CE1-CB 3.82Å; F72-L119 HydrophobicContact CE1-CG 4.1Å; F72-L119 HydrophobicContact CE2-CD1 4.04Å; F72-L119 HydrophobicContact CE2-CG 4.09Å; F72-L119 HydrophobicContact CG-CB 4.4Å; F72-L119 HydrophobicContact CG-CD1 3.97Å; F72-L119 HydrophobicContact CG-CG 4.42Å; F72-L119 HydrophobicContact CZ-CB 4.22Å; F72-L119 HydrophobicContact CZ-CD1 4.39Å; F72-L119 HydrophobicContact CZ-CG 3.99Å; F72-F124 HydrophobicContact CE2-CE1 4.19Å; F72-F124 AromaticContact CE2-CE2 3.83Å; F72-F124 HydrophobicContact CE2-CE2 3.83Å; F72-F124 AromaticContact CE2-CZ 3.46Å; F72-F124 HydrophobicContact CE2-CZ 3.46Å; F72-F124 VanDerWaalsContact CE2-CZ 3.46Å; F72-F124 AromaticContact CZ-CE2 3.66Å; F72-F124 HydrophobicContact CZ-CE2 3.66Å; F72-F124 AromaticContact CZ-CZ 3.5Å; F72-F124 HydrophobicContact CZ-CZ 3.5Å
73	A	98.6	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	150.1	168.7	0	0	0	0	0	109.3	F41 N75 M98 M113 Q114 L116	F41-A73 HydrophobicContact CB-CB 4.47Å; F41-A73 WeakPolarHBondContact O-CB 3.42Å; A73-N75 PolarHBondContact O-N 3.49Å; A73-M98 HydrophobicContact CB-CB 4.14Å; A73-M98 HydrophobicContact CB-CG 4.35Å; A73-M113 HydrophobicContact CB-SD 4Å; A73-Q114 PolarHBondContact N-O 2.78Å; A73-Q114 VanDerWaalsContact N-O 3.08Å; A73-L116 PolarHBondContact O-N 3.48Å
74	P	98.6	Very high	95.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.			trans	-61.2	133	171.7	-19.5	31.1	0	0	0	110.9	Q76 M97 M98 L116 L139	P74-Q76 PolarHBondContact O-N 3.37Å; P74-M97 HydrophobicContact CB-CE 3.79Å; P74-M97 HydrophobicContact CB-SD 4.3Å; P74-M97 HydrophobicContact CG-CE 4.29Å; P74-M97 HydrophobicContact CG-SD 4.23Å; P74-M97 WeakPolarHBondContact O-CB 3.28Å; P74-M98 PolarHBondContact O-N 3.49Å; P74-L116 HydrophobicContact CG-CB 4.44Å; P74-L116 HydrophobicContact CG-CD2 3.96Å; P74-L139 HydrophobicContact CG-CD2 3.67Å
75	N	98.2	Very high	95.6	Very high	85 Å²	85	52.8 Å²	52.8	46%	0.455	25%	0.247	S	C	.	.	S	Bend	trans	-82.8	66.9	175.3	-172.4	9.9	0	0	0	111.4	A73 N96 M98 D115	A73-N75 PolarHBondContact O-N 3.49Å; N75-N96 PolarHBondContact OD1-ND2 2.7Å; N75-N96 PolarHBondContact OD1-OD1 2.88Å; N75-M98 HydrophobicContact CB-CB 4.3Å; N75-M98 HydrophobicContact CB-SD 3.82Å; N75-D115 WeakPolarHBondContact CB-OD2 3.49Å
76	Q	98	Very high	96	Very high	98 Å²	98	58.8 Å²	58.8	46%	0.458	27%	0.273	S	S	.	.	S	Bend	trans	-139.2	164.2	-179.7	-66.5	174.7	9.8	0	0	110.9	P74 N96 M97 H152	P74-Q76 PolarHBondContact O-N 3.37Å; Q76-N96 PolarHBondContact N-ND2 3.12Å; Q76-N96 CarbonylContact O-C 3.57Å; Q76-N96 WeakPolarHBondContact O-CA 3.25Å; Q76-N96 PolarHBondContact O-ND2 3.47Å; Q76-M97 HydrophobicContact CB-CE 3.56Å; Q76-M97 PolarHBondContact O-N 3.46Å; Q76-H152 VanDerWaalsContact CD-NE2 3.28Å; Q76-H152 PolarHBondContact NE2-NE2 3.35Å; Q76-H152 PolarHBondContact OE1-CD2 3.18Å; Q76-H152 PolarHBondContact OE1-NE2 3.07Å
77	Q	98.3	Very high	96.3	Very high	105 Å²	105	65.7 Å²	65.7	49%	0.491	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-64.8	143.4	174.2	-62.2	-60	-35.6	0	0	110.6	R95	Q77-R95 PolarHBondContact OE1-O 3.24Å; Q77-R95 VanDerWaalsContact OE1-O 3.09Å
78	Q	97.8	Very high	96.5	Very high	12 Å²	12	69.8 Å²	69.8	6%	0.056	32%	0.318	C	S	.	.			trans	-62.2	150.6	166	-69.3	177.1	-166.8	0	0	109.5	D48 Q80 R95 M97	D48-Q78 PolarHBondContact O-NE2 3.12Å; Q78-Q80 PolarHBondContact NE2-O 3.29Å; Q78-Q80 PolarHBondContact O-N 3.43Å; Q78-R95 PolarHBondContact N-O 2.99Å; Q78-M97 HydrophobicContact CG-CG 3.72Å
79	M	96.3	Very high	96.7	Very high	104 Å²	104	65.7 Å²	65.7	51%	0.512	31%	0.312	S	S	.	.	S	Bend	trans	-58.7	-36.5	173.6	173.7	-176.5	-81.3	0	0	111.5	K137 N138	M79-K137 HydrophobicContact CB-CB 4.31Å; M79-K137 WeakPolarHBondContact CB-O 3.29Å; M79-K137 WeakPolarHBondContact CE-O 3.36Å; M79-K137 HydrophobicContact SD-CB 3.94Å; M79-K137 HydrophobicContact SD-CG 4.25Å; M79-N138 PolarHBondContact N-OD1 2.82Å
80	Q	95.5	Very high	96.8	Very high	65 Å²	65	64.3 Å²	64.3	30%	0.304	31%	0.309	S	S	.	.			trans	-156.8	151.1	-176.2	-173.5	177.2	-24.2	0	0	109.3	D48 Q78 M82 P89	D48-Q80 WeakPolarHBondContact CB-O 3.49Å; Q78-Q80 PolarHBondContact NE2-O 3.29Å; Q78-Q80 PolarHBondContact O-N 3.43Å; Q80-M82 HydrophobicContact CG-SD 4.23Å; Q80-M82 PolarHBondContact NE2-SD 3.39Å; Q80-P89 HydrophobicContact CG-CB 4.22Å
81	V	97.6	Very high	96.5	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.03	33%	0.333	C	S	.	.			trans	-104.8	135.2	169.3	-178.9	0	0	0	0	108.6	S90 E93 R95	V81-S90 PolarHBondContact O-N 2.94Å; V81-E93 HydrophobicContact CB-CB 4.06Å; V81-E93 HydrophobicContact CG1-CB 4.04Å; V81-E93 HydrophobicContact CG2-CB 4.17Å; V81-R95 HydrophobicContact CG1-CG 4.34Å; V81-R95 HydrophobicContact CG2-CB 3.92Å; V81-R95 HydrophobicContact CG2-CG 3.76Å
82	M	97.6	Very high	96.1	Very high	16 Å²	16	69.5 Å²	69.5	8%	0.079	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.8	-175.2	-67.9	-68.2	-61.4	0	0	112	W47 D48 Q80 H84 Q88	W47-M82 HydrophobicContact CB-CB 3.88Å; W47-M82 HydrophobicContact CB-CE 4.3Å; W47-M82 HydrophobicContact CB-CG 3.82Å; D48-M82 HydrophobicContact CB-CB 4.05Å; D48-M82 HydrophobicContact CB-CG 3.79Å; D48-M82 PolarHBondContact OD2-N 2.88Å; Q80-M82 HydrophobicContact CG-SD 4.23Å; Q80-M82 PolarHBondContact NE2-SD 3.39Å; M82-H84 PolarHBondContact O-N 2.83Å; M82-H84 VanDerWaalsContact O-N 3.14Å; M82-H84 PolarHBondContact O-ND1 2.93Å; M82-Q88 VanDerWaalsContact CE-C 3.49Å
83	D	97.1	Very high	95.9	Very high	41 Å²	41	73.5 Å²	73.5	22%	0.219	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	103.3	159.5	-176.9	-28.3	0	0	0	107.3	M85 K86 K87 Q88 S90	D83-M85 VanDerWaalsContact C-N 3.26Å; D83-M85 PolarHBondContact O-N 2.93Å; D83-M85 WeakPolarHBondContact OD1-CB 3.45Å; D83-M85 PolarHBondContact OD1-N 3.25Å; D83-K86 HydrophobicContact CB-CB 4.26Å; D83-K86 PolarHBondContact O-N 3.15Å; D83-K86 PolarHBondContact OD1-N 3.34Å; D83-K86 WeakPolarHBondContact OD2-CD 3.24Å; D83-K86 WeakPolarHBondContact OD2-CE 3.45Å; D83-K86 WeakPolarHBondContact OD2-CG 3.27Å; D83-K86 IonicContact OD2-NZ 2.62Å; D83-K86 PolarHBondContact OD2-NZ 3.41Å; D83-K87 WeakPolarHBondContact O-CA 3.23Å; D83-K87 PolarHBondContact O-N 3.42Å; D83-Q88 PolarHBondContact N-O 2.92Å; D83-Q88 PolarHBondContact O-N 3.29Å; D83-S90 PolarHBondContact N-OG 2.82Å
84	H	95.9	Very high	95.7	Very high	70 Å²	70	79.9 Å²	79.9	32%	0.324	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.6	-175.8	-76.4	63.5	0	0	0	113	G45 W46 W47 D48 M82	G45-H84 WeakPolarHBondContact CA-NE2 3.44Å; W46-H84 PolarHBondContact N-NE2 3.02Å; W47-H84 AromaticContact CD1-CD2 3.68Å; W47-H84 PolarHBondContact N-NE2 2.69Å; W47-H84 VanDerWaalsContact N-NE2 3.12Å; D48-H84 IonicContact OD1-CE1 3Å; D48-H84 PolarHBondContact OD1-CE1 3.4Å; D48-H84 VanDerWaalsContact OD1-CE1 3.31Å; D48-H84 IonicContact OD1-NE2 3.54Å; D48-H84 IonicContact OD2-CE1 3.72Å; M82-H84 PolarHBondContact O-N 2.83Å; M82-H84 VanDerWaalsContact O-N 3.14Å; M82-H84 PolarHBondContact O-ND1 2.93Å
85	M	95.9	Very high	95.7	Very high	176 Å²	176	84 Å²	84	87%	0.867	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-42.6	176.2	-65.1	-63.2	-65.8	0	0	110.7	D83	D83-M85 VanDerWaalsContact C-N 3.26Å; D83-M85 PolarHBondContact O-N 2.93Å; D83-M85 WeakPolarHBondContact OD1-CB 3.45Å; D83-M85 PolarHBondContact OD1-N 3.25Å
86	K	95.7	Very high	95.7	Very high	133 Å²	133	80.8 Å²	80.8	58%	0.578	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.4	179.4	-63.9	179.9	-165.3	146.5	0	113.7	D83 Q88	D83-K86 HydrophobicContact CB-CB 4.26Å; D83-K86 PolarHBondContact O-N 3.15Å; D83-K86 PolarHBondContact OD1-N 3.34Å; D83-K86 WeakPolarHBondContact OD2-CD 3.24Å; D83-K86 WeakPolarHBondContact OD2-CE 3.45Å; D83-K86 WeakPolarHBondContact OD2-CG 3.27Å; D83-K86 IonicContact OD2-NZ 2.62Å; D83-K86 PolarHBondContact OD2-NZ 3.41Å; K86-Q88 HydrophobicContact CB-CG 3.71Å; K86-Q88 HydrophobicContact CD-CG 4.48Å; K86-Q88 PolarHBondContact O-N 3.38Å
87	K	93.9	Very high	95.7	Very high	151 Å²	151	76.2 Å²	76.2	66%	0.657	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	37.6	-175.1	-54.5	-179.9	-178.3	-177.8	0	112.5	D83	D83-K87 WeakPolarHBondContact O-CA 3.23Å; D83-K87 PolarHBondContact O-N 3.42Å
88	Q	95.7	Very high	95.7	Very high	98 Å²	98	72.9 Å²	72.9	46%	0.458	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.7	-175.8	76.4	-176.9	33.5	0	0	112	M82 D83 K86 S90	M82-Q88 VanDerWaalsContact CE-C 3.49Å; D83-Q88 PolarHBondContact N-O 2.92Å; D83-Q88 PolarHBondContact O-N 3.29Å; K86-Q88 HydrophobicContact CB-CG 3.71Å; K86-Q88 HydrophobicContact CD-CG 4.48Å; K86-Q88 PolarHBondContact O-N 3.38Å; Q88-S90 PolarHBondContact O-N 2.95Å
89	P	95.9	Very high	95.7	Very high	70 Å²	70	77.6 Å²	77.6	46%	0.455	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	134	170.3	-6.8	1.6	0	0	0	113	Q80	Q80-P89 HydrophobicContact CG-CB 4.22Å
90	S	93.9	Very high	95.8	Very high	25 Å²	25	73.2 Å²	73.2	18%	0.175	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-77.4	126.2	164.3	-68.6	0	0	0	0	109.8	V81 D83 Q88	V81-S90 PolarHBondContact O-N 2.94Å; D83-S90 PolarHBondContact N-OG 2.82Å; Q88-S90 PolarHBondContact O-N 2.95Å
91	S	89.9	Confident	95.9	Very high	122 Å²	122	70.1 Å²	70.1	85%	0.853	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	127.1	178.2	-55.2	0	0	0	0	111.3	E93	S91-E93 VanDerWaalsContact C-N 3.32Å; S91-E93 PolarHBondContact O-N 3.07Å
92	G	89.8	Confident	95.8	Very high	83 Å²	83	71.6 Å²	71.6	86%	0.856	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	2.2	172.8	0	0	0	0	0	115.7
93	E	93.6	Very high	95.7	Very high	84 Å²	84	77.8 Å²	77.8	39%	0.393	41%	0.411	S	S	.	.			trans	-92.2	137.1	174.7	-71	-172.4	-139.8	0	0	111.6	V81 S91 R95	V81-E93 HydrophobicContact CB-CB 4.06Å; V81-E93 HydrophobicContact CG1-CB 4.04Å; V81-E93 HydrophobicContact CG2-CB 4.17Å; S91-E93 VanDerWaalsContact C-N 3.32Å; S91-E93 PolarHBondContact O-N 3.07Å; E93-R95 IonicContact OE2-CZ 2.85Å; E93-R95 IonicContact OE2-NE 3.7Å; E93-R95 PolarHBondContact OE2-NE 3.19Å; E93-R95 IonicContact OE2-NH2 3.64Å; E93-R95 PolarHBondContact OE2-NH2 3.32Å
94	N	95.4	Very high	95.6	Very high	135 Å²	135	76.7 Å²	76.7	72%	0.722	40%	0.404	S	S	*	.			trans	-128.2	132.1	169.3	-71.1	-57.9	0	0	0	108.7
95	R	97.9	Very high	95.4	Very high	86 Å²	86	74.5 Å²	74.5	33%	0.325	40%	0.395	S	S	.	.			trans	-132.5	142.2	179.4	-64	-177	-169.3	-170.7	9.1	110.3	Q77 Q78 V81 E93 E100	Q77-R95 PolarHBondContact OE1-O 3.24Å; Q77-R95 VanDerWaalsContact OE1-O 3.09Å; Q78-R95 PolarHBondContact N-O 2.99Å; V81-R95 HydrophobicContact CG1-CG 4.34Å; V81-R95 HydrophobicContact CG2-CB 3.92Å; V81-R95 HydrophobicContact CG2-CG 3.76Å; E93-R95 IonicContact OE2-CZ 2.85Å; E93-R95 IonicContact OE2-NE 3.7Å; E93-R95 PolarHBondContact OE2-NE 3.19Å; E93-R95 IonicContact OE2-NH2 3.64Å; E93-R95 PolarHBondContact OE2-NH2 3.32Å; R95-E100 HydrophobicContact CB-CG 3.75Å; R95-E100 HydrophobicContact CG-CG 4.38Å; R95-E100 IonicContact NH1-OE2 2.74Å
96	N	98.5	Very high	94.6	Very high	17 Å²	17	75 Å²	75	9%	0.091	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-90.5	131	178.9	176.5	-71	0	0	0	110.5	N75 Q76 M98 I99 E100	N75-N96 PolarHBondContact OD1-ND2 2.7Å; N75-N96 PolarHBondContact OD1-OD1 2.88Å; Q76-N96 PolarHBondContact N-ND2 3.12Å; Q76-N96 CarbonylContact O-C 3.57Å; Q76-N96 WeakPolarHBondContact O-CA 3.25Å; Q76-N96 PolarHBondContact O-ND2 3.47Å; N96-M98 VanDerWaalsContact C-N 3.33Å; N96-M98 PolarHBondContact O-N 3.36Å; N96-M98 WeakPolarHBondContact OD1-CA 3.29Å; N96-M98 WeakPolarHBondContact OD1-CB 3.39Å; N96-M98 PolarHBondContact OD1-N 2.91Å; N96-I99 HydrophobicContact CB-CB 4.1Å; N96-I99 HydrophobicContact CB-CD1 3.93Å; N96-I99 HydrophobicContact CB-CG1 3.99Å; N96-I99 PolarHBondContact O-N 2.7Å; N96-I99 PolarHBondContact OD1-N 2.71Å; N96-I99 VanDerWaalsContact OD1-N 3.1Å; N96-E100 WeakPolarHBondContact O-CG 3.29Å; N96-E100 PolarHBondContact O-N 3.32Å
97	M	98.4	Very high	93.1	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-54.3	-45.7	-178.4	-76.1	-176.8	-86.8	0	0	112.9	P74 Q76 Q78 S101 N138 L139	P74-M97 HydrophobicContact CB-CE 3.79Å; P74-M97 HydrophobicContact CB-SD 4.3Å; P74-M97 HydrophobicContact CG-CE 4.29Å; P74-M97 HydrophobicContact CG-SD 4.23Å; P74-M97 WeakPolarHBondContact O-CB 3.28Å; Q76-M97 HydrophobicContact CB-CE 3.56Å; Q76-M97 PolarHBondContact O-N 3.46Å; Q78-M97 HydrophobicContact CG-CG 3.72Å; M97-S101 WeakPolarHBondContact O-CB 3.5Å; M97-S101 PolarHBondContact O-N 2.79Å; M97-S101 PolarHBondContact O-OG 2.85Å; M97-N138 HydrophobicContact CE-CB 4.4Å; M97-N138 HydrophobicContact CG-CB 4.23Å; M97-N138 HydrophobicContact SD-CB 3.42Å; M97-N138 WeakPolarHBondContact SD-CB 3.47Å; M97-L139 HydrophobicContact SD-CD2 4.24Å
98	M	97.7	Very high	91.9	Very high	35 Å²	35	70.8 Å²	70.8	17%	0.172	38%	0.383	C	S	.	.	H	α-helix	trans	-69.9	-41.4	-177.7	-173.1	-175.9	167.6	0	0	111.8	A73 P74 N75 N96 S101 A102 M113 D115	A73-M98 HydrophobicContact CB-CB 4.14Å; A73-M98 HydrophobicContact CB-CG 4.35Å; P74-M98 PolarHBondContact O-N 3.49Å; N75-M98 HydrophobicContact CB-CB 4.3Å; N75-M98 HydrophobicContact CB-SD 3.82Å; N96-M98 VanDerWaalsContact C-N 3.33Å; N96-M98 PolarHBondContact O-N 3.36Å; N96-M98 WeakPolarHBondContact OD1-CA 3.29Å; N96-M98 WeakPolarHBondContact OD1-CB 3.39Å; N96-M98 PolarHBondContact OD1-N 2.91Å; M98-S101 PolarHBondContact O-N 3.31Å; M98-A102 PolarHBondContact O-N 2.99Å; M98-M113 HydrophobicContact CE-CB 4.35Å; M98-M113 HydrophobicContact CE-CG 3.99Å; M98-M113 WeakPolarHBondContact CE-O 3.23Å; M98-M113 HydrophobicContact CG-CG 3.52Å; M98-D115 HydrophobicContact CE-CB 4.42Å; M98-D115 VanDerWaalsContact CE-N 3.34Å; M98-D115 HydrophobicContact SD-CB 4.02Å
99	I	97.2	Very high	90.7	Very high	111 Å²	111	68.6 Å²	68.6	57%	0.569	39%	0.387	S	S	*	.	H	α-helix	trans	-63.3	-46.1	176.4	-63.1	-179.7	0	0	0	110.4	N96 A102	N96-I99 HydrophobicContact CB-CB 4.1Å; N96-I99 HydrophobicContact CB-CD1 3.93Å; N96-I99 HydrophobicContact CB-CG1 3.99Å; N96-I99 PolarHBondContact O-N 2.7Å; N96-I99 PolarHBondContact OD1-N 2.71Å; N96-I99 VanDerWaalsContact OD1-N 3.1Å; I99-A102 WeakPolarHBondContact O-CB 3.38Å; I99-A102 PolarHBondContact O-N 3.41Å
100	E	97.9	Very high	89.2	Confident	13 Å²	13	73.1 Å²	73.1	6%	0.061	40%	0.399	C	S	.	.	H	α-helix	trans	-69.2	-39.2	178.6	-66	-57.8	109.3	0	0	111.7	C44 R95 N96 A102 R103	C44-E100 HydrophobicContact CB-CB 4.27Å; C44-E100 VanDerWaalsContact CB-O 3.24Å; C44-E100 WeakPolarHBondContact CB-O 3.42Å; R95-E100 HydrophobicContact CB-CG 3.75Å; R95-E100 HydrophobicContact CG-CG 4.38Å; R95-E100 IonicContact NH1-OE2 2.74Å; N96-E100 WeakPolarHBondContact O-CG 3.29Å; N96-E100 PolarHBondContact O-N 3.32Å; E100-A102 PolarHBondContact O-N 3.36Å; E100-R103 WeakPolarHBondContact O-CB 3.27Å; E100-R103 WeakPolarHBondContact O-CD 3.22Å; E100-R103 WeakPolarHBondContact O-CG 3.29Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 2.94Å; E100-R103 IonicContact OE1-NE 3.61Å; E100-R103 IonicContact OE1-NH2 3.33Å; E100-R103 PolarHBondContact OE1-NH2 2.98Å; E100-R103 IonicContact OE2-CZ 2.79Å; E100-R103 IonicContact OE2-NE 2.76Å; E100-R103 PolarHBondContact OE2-NE 2.97Å; E100-R103 IonicContact OE2-NH2 3.31Å; E100-R103 PolarHBondContact OE2-NH2 2.78Å; E100-R103 VanDerWaalsContact OE2-NH2 3.16Å
101	S	97.9	Very high	88.3	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-62.6	-28.5	175.2	-58.9	0	0	0	0	112.1	F41 G43 M97 M98 R103 F104 M113	F41-S101 WeakPolarHBondContact CB-OG 3.43Å; G43-S101 WeakPolarHBondContact CA-OG 3.4Å; G43-S101 PolarHBondContact N-OG 3.1Å; M97-S101 WeakPolarHBondContact O-CB 3.5Å; M97-S101 PolarHBondContact O-N 2.79Å; M97-S101 PolarHBondContact O-OG 2.85Å; M98-S101 PolarHBondContact O-N 3.31Å; S101-R103 PolarHBondContact O-N 3.16Å; S101-R103 VanDerWaalsContact O-N 3.08Å; S101-F104 WeakPolarHBondContact O-CB 3.45Å; S101-F104 WeakPolarHBondContact O-CD2 3.47Å; S101-F104 PolarHBondContact O-N 3.19Å; S101-F104 VanDerWaalsContact O-N 3.07Å; S101-M113 VanDerWaalsContact C-CE 3.46Å; S101-M113 VanDerWaalsContact O-CE 3.3Å; S101-M113 WeakPolarHBondContact O-CE 3.33Å
102	A	96.3	Very high	88.2	Confident	36 Å²	36	80.2 Å²	80.2	30%	0.298	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-63.3	-11.8	175.6	0	0	0	0	0	112.9	M98 I99 E100 F104 I105 M113	M98-A102 PolarHBondContact O-N 2.99Å; I99-A102 WeakPolarHBondContact O-CB 3.38Å; I99-A102 PolarHBondContact O-N 3.41Å; E100-A102 PolarHBondContact O-N 3.36Å; A102-F104 PolarHBondContact O-N 3.03Å; A102-I105 HydrophobicContact CB-CG1 4.45Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.05Å; A102-I105 PolarHBondContact O-N 3.04Å; A102-I105 VanDerWaalsContact O-O 3.05Å; A102-M113 HydrophobicContact CB-CB 3.95Å; A102-M113 HydrophobicContact CB-CG 4.47Å
103	R	95.9	Very high	88.5	Confident	145 Å²	145	76.6 Å²	76.6	55%	0.547	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-63.4	-27.3	170.5	-63.2	174.2	-174.5	-74	-7.3	113.1	C44 E100 S101 I105	C44-R103 HydrophobicContact CB-CB 4.47Å; E100-R103 WeakPolarHBondContact O-CB 3.27Å; E100-R103 WeakPolarHBondContact O-CD 3.22Å; E100-R103 WeakPolarHBondContact O-CG 3.29Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 2.94Å; E100-R103 IonicContact OE1-NE 3.61Å; E100-R103 IonicContact OE1-NH2 3.33Å; E100-R103 PolarHBondContact OE1-NH2 2.98Å; E100-R103 IonicContact OE2-CZ 2.79Å; E100-R103 IonicContact OE2-NE 2.76Å; E100-R103 PolarHBondContact OE2-NE 2.97Å; E100-R103 IonicContact OE2-NH2 3.31Å; E100-R103 PolarHBondContact OE2-NH2 2.78Å; E100-R103 VanDerWaalsContact OE2-NH2 3.16Å; S101-R103 PolarHBondContact O-N 3.16Å; S101-R103 VanDerWaalsContact O-N 3.08Å; R103-I105 PolarHBondContact O-N 2.59Å
104	F	95	Very high	88.6	Confident	18 Å²	18	74.7 Å²	74.7	8%	0.079	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-68.1	-19.6	176.1	-75.7	-80.4	0	0	0	113.3	F41 C44 V52 V56 M59 S101 A102	F41-F104 AromaticContact CD1-CD2 3.95Å; F41-F104 HydrophobicContact CD1-CD2 3.95Å; F41-F104 AromaticContact CD1-CE2 3.85Å; F41-F104 HydrophobicContact CD1-CE2 3.85Å; F41-F104 HydrophobicContact CD1-CG 4.49Å; F41-F104 HydrophobicContact CD1-CZ 4.28Å; F41-F104 HydrophobicContact CE1-CD1 4.14Å; F41-F104 AromaticContact CE1-CD2 3.94Å; F41-F104 HydrophobicContact CE1-CD2 3.94Å; F41-F104 HydrophobicContact CE1-CE1 4.18Å; F41-F104 AromaticContact CE1-CE2 3.99Å; F41-F104 HydrophobicContact CE1-CE2 3.99Å; F41-F104 HydrophobicContact CE1-CG 4.02Å; F41-F104 HydrophobicContact CE1-CZ 4.1Å; F41-F104 HydrophobicContact CE2-CB 4.38Å; F41-F104 HydrophobicContact CE2-CG 4.49Å; F41-F104 HydrophobicContact CG-CD2 4.28Å; F41-F104 HydrophobicContact CG-CE2 4.48Å; F41-F104 HydrophobicContact CZ-CB 4.23Å; F41-F104 HydrophobicContact CZ-CD1 4.28Å; F41-F104 HydrophobicContact CZ-CD2 4.26Å; F41-F104 HydrophobicContact CZ-CG 4.02Å; C44-F104 HydrophobicContact CB-CE2 4.02Å; V52-F104 HydrophobicContact CB-CE1 4.49Å; V52-F104 HydrophobicContact CG1-CE1 4.36Å; V52-F104 HydrophobicContact CG2-CZ 4.41Å; V56-F104 HydrophobicContact CG2-CD1 4.22Å; V56-F104 HydrophobicContact CG2-CE1 4.33Å; M59-F104 HydrophobicContact SD-CB 4.25Å; S101-F104 WeakPolarHBondContact O-CB 3.45Å; S101-F104 WeakPolarHBondContact O-CD2 3.47Å; S101-F104 PolarHBondContact O-N 3.19Å; S101-F104 VanDerWaalsContact O-N 3.07Å; A102-F104 PolarHBondContact O-N 3.03Å
105	I	90.2	Very high	88.7	Confident	24 Å²	24	70.1 Å²	70.1	12%	0.123	34%	0.336	C	S	.	.			trans	-123.5	118.8	-171.9	52.2	143.7	0	0	0	111.7	M59 T71 A102 R103 G107 R111 Q112 M113	M59-I105 HydrophobicContact CE-CG2 3.98Å; T71-I105 HydrophobicContact CG2-CG2 3.85Å; A102-I105 HydrophobicContact CB-CG1 4.45Å; A102-I105 VanDerWaalsContact O-CG1 3.31Å; A102-I105 WeakPolarHBondContact O-CG1 3.05Å; A102-I105 PolarHBondContact O-N 3.04Å; A102-I105 VanDerWaalsContact O-O 3.05Å; R103-I105 PolarHBondContact O-N 2.59Å; I105-G107 PolarHBondContact O-N 2.72Å; I105-R111 WeakPolarHBondContact CD1-O 3.26Å; I105-Q112 VanDerWaalsContact CD1-C 3.48Å; I105-M113 HydrophobicContact CD1-CB 3.69Å; I105-M113 HydrophobicContact CG1-CB 4.47Å; I105-M113 HydrophobicContact CG1-CE 4.44Å
106	H	80.1	Confident	88.7	Confident	188 Å²	188	66 Å²	66	87%	0.87	32%	0.321	S	S	*	.			trans	-87.2	26.9	178.3	-54.6	-68.2	0	0	0	113.3
107	G	65.1	Low	88.7	Confident	14 Å²	14	68 Å²	68	14%	0.144	34%	0.336	C	S	.	.			trans	-121.7	141.9	-160.8	0	0	0	0	0	115.8	I105	I105-G107 PolarHBondContact O-N 2.72Å
108	Q	67.3	Low	88.7	Confident	181 Å²	181	71.9 Å²	71.9	85%	0.846	36%	0.36	S	S	*	.	S	Bend	trans	-93.9	169	162.4	-65.9	-177.1	-16.2	0	0	111.2	K110	Q108-K110 PolarHBondContact O-N 2.85Å
109	G	71.4	Confident	88.7	Confident	52 Å²	52	70.4 Å²	70.4	54%	0.536	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	66.7	-128.5	174.3	0	0	0	0	0	113.3	R111 Q112	G109-R111 PolarHBondContact O-N 3.26Å; G109-Q112 VanDerWaalsContact O-CB 3.27Å; G109-Q112 WeakPolarHBondContact O-CB 3.25Å; G109-Q112 PolarHBondContact O-N 3.2Å
110	K	64.6	Low	88.8	Confident	164 Å²	164	68.3 Å²	68.3	71%	0.713	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.3	-11.3	-175	-68.5	-177.4	-179	176.4	0	115	Q108	Q108-K110 PolarHBondContact O-N 2.85Å
111	R	73.4	Confident	88.8	Confident	175 Å²	175	67.9 Å²	67.9	66%	0.66	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-104.6	7.7	177.5	-67	-173	-69.7	160.3	-2.1	113.1	I105 G109	I105-R111 WeakPolarHBondContact CD1-O 3.26Å; G109-R111 PolarHBondContact O-N 3.26Å
112	Q	88.4	Confident	88.8	Confident	121 Å²	121	74 Å²	74	57%	0.565	37%	0.374	S	S	*	.	S	Bend	trans	-71.7	148	175.9	-170.1	177.7	33.6	0	0	111.1	I105 G109	I105-Q112 VanDerWaalsContact CD1-C 3.48Å; G109-Q112 VanDerWaalsContact O-CB 3.27Å; G109-Q112 WeakPolarHBondContact O-CB 3.25Å; G109-Q112 PolarHBondContact O-N 3.2Å
113	M	95.4	Very high	88.8	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.039	38%	0.379	C	S	.	.			trans	-64.8	133.4	173.9	-179.3	60.3	65.1	0	0	107.9	F41 T71 A73 M98 S101 A102 I105	F41-M113 HydrophobicContact CD2-CE 3.95Å; T71-M113 VanDerWaalsContact C-SD 3.56Å; A73-M113 HydrophobicContact CB-SD 4Å; M98-M113 HydrophobicContact CE-CB 4.35Å; M98-M113 HydrophobicContact CE-CG 3.99Å; M98-M113 WeakPolarHBondContact CE-O 3.23Å; M98-M113 HydrophobicContact CG-CG 3.52Å; S101-M113 VanDerWaalsContact C-CE 3.46Å; S101-M113 VanDerWaalsContact O-CE 3.3Å; S101-M113 WeakPolarHBondContact O-CE 3.33Å; A102-M113 HydrophobicContact CB-CB 3.95Å; A102-M113 HydrophobicContact CB-CG 4.47Å; I105-M113 HydrophobicContact CD1-CB 3.69Å; I105-M113 HydrophobicContact CG1-CB 4.47Å; I105-M113 HydrophobicContact CG1-CE 4.44Å
114	Q	96.3	Very high	88.9	Confident	43 Å²	43	68.7 Å²	68.7	20%	0.201	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.9	179.7	-62.6	-175.2	20.8	0	0	110.5	T71 F72 A73 L116	T71-Q114 PolarHBondContact O-N 3.37Å; F72-Q114 VanDerWaalsContact CA-O 3.24Å; F72-Q114 WeakPolarHBondContact CA-O 3.18Å; F72-Q114 HydrophobicContact CD1-CB 3.53Å; F72-Q114 HydrophobicContact CE1-CB 3.53Å; F72-Q114 HydrophobicContact CE1-CG 4.35Å; F72-Q114 HydrophobicContact CG-CB 4.41Å; F72-Q114 HydrophobicContact CZ-CB 4.4Å; A73-Q114 PolarHBondContact N-O 2.78Å; A73-Q114 VanDerWaalsContact N-O 3.08Å; Q114-L116 PolarHBondContact O-N 3.38Å
115	D	97.8	Very high	89	Confident	40 Å²	40	70.5 Å²	70.5	21%	0.214	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.2	172.5	-172.4	-37.5	0	0	0	108.5	N75 M98 S117 T118	N75-D115 WeakPolarHBondContact CB-OD2 3.49Å; M98-D115 HydrophobicContact CE-CB 4.42Å; M98-D115 VanDerWaalsContact CE-N 3.34Å; M98-D115 HydrophobicContact SD-CB 4.02Å; D115-S117 PolarHBondContact O-N 3.3Å; D115-S117 VanDerWaalsContact O-N 3.15Å; D115-S117 WeakPolarHBondContact OD1-CB 3.25Å; D115-S117 PolarHBondContact OD1-N 2.72Å; D115-S117 PolarHBondContact OD1-OG 2.9Å; D115-T118 HydrophobicContact CB-CG2 4.22Å; D115-T118 WeakPolarHBondContact O-CB 3.33Å; D115-T118 PolarHBondContact O-N 2.82Å; D115-T118 PolarHBondContact O-OG1 3.03Å
116	L	98.6	Very high	89.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29.7	-179.1	-174.1	63.2	0	0	0	113	V40 F72 A73 P74 Q114 T118 L119 D154 V155 R157 V158	V40-L116 HydrophobicContact CB-CD1 4.42Å; V40-L116 HydrophobicContact CG1-CD1 3.78Å; V40-L116 HydrophobicContact CG1-CD2 3.94Å; V40-L116 HydrophobicContact CG1-CG 4.47Å; V40-L116 HydrophobicContact CG2-CD1 3.72Å; F72-L116 HydrophobicContact CB-CB 4.45Å; F72-L116 HydrophobicContact CB-CD1 3.79Å; F72-L116 HydrophobicContact CG-CD1 4.47Å; A73-L116 PolarHBondContact O-N 3.48Å; P74-L116 HydrophobicContact CG-CB 4.44Å; P74-L116 HydrophobicContact CG-CD2 3.96Å; Q114-L116 PolarHBondContact O-N 3.38Å; L116-T118 PolarHBondContact O-N 3.1Å; L116-L119 HydrophobicContact CD1-CB 4.35Å; L116-L119 HydrophobicContact CD1-CD1 3.81Å; L116-L119 VanDerWaalsContact O-CB 3.29Å; L116-L119 WeakPolarHBondContact O-CB 3.38Å; L116-L119 PolarHBondContact O-N 3.44Å; L116-L119 VanDerWaalsContact O-N 3.1Å; L116-D154 HydrophobicContact CB-CB 4.39Å; L116-D154 HydrophobicContact CD2-CB 3.8Å; L116-D154 HydrophobicContact CG-CB 3.89Å; L116-V155 HydrophobicContact CD2-CG2 3.67Å; L116-R157 PolarHBondContact O-NH2 3Å; L116-R157 VanDerWaalsContact O-NH2 3.1Å; L116-V158 HydrophobicContact CD1-CG2 4.08Å; L116-V158 HydrophobicContact CG-CG2 4.43Å
117	S	98.4	Very high	90.3	Very high	58 Å²	58	60.4 Å²	60.4	41%	0.406	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24	175.1	61.6	0	0	0	0	113.5	D115 D154	D115-S117 PolarHBondContact O-N 3.3Å; D115-S117 VanDerWaalsContact O-N 3.15Å; D115-S117 WeakPolarHBondContact OD1-CB 3.25Å; D115-S117 PolarHBondContact OD1-N 2.72Å; D115-S117 PolarHBondContact OD1-OG 2.9Å; S117-D154 WeakPolarHBondContact CA-OD1 3.43Å
118	T	97.9	Very high	91.9	Very high	84 Å²	84	59.7 Å²	59.7	52%	0.515	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-88	-4.5	179.2	69.8	0	0	0	0	113.9	D115 L116 D120	D115-T118 HydrophobicContact CB-CG2 4.22Å; D115-T118 WeakPolarHBondContact O-CB 3.33Å; D115-T118 PolarHBondContact O-N 2.82Å; D115-T118 PolarHBondContact O-OG1 3.03Å; L116-T118 PolarHBondContact O-N 3.1Å; T118-D120 PolarHBondContact O-N 3.13Å; T118-D120 VanDerWaalsContact O-N 3.11Å
119	L	98.3	Very high	93.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	27%	0.271	C	S	.	.			trans	-68.4	110.1	179.9	-166.5	167.8	0	0	0	110.2	A38 V40 F72 L116 V121 F124 R157 V158 F162	A38-L119 HydrophobicContact CB-CD1 3.8Å; V40-L119 HydrophobicContact CG2-CD1 4.31Å; F72-L119 HydrophobicContact CD1-CB 3.92Å; F72-L119 HydrophobicContact CD1-CD1 4.33Å; F72-L119 HydrophobicContact CD1-CG 4.32Å; F72-L119 HydrophobicContact CD2-CD1 3.81Å; F72-L119 HydrophobicContact CD2-CG 4.31Å; F72-L119 HydrophobicContact CE1-CB 3.82Å; F72-L119 HydrophobicContact CE1-CG 4.1Å; F72-L119 HydrophobicContact CE2-CD1 4.04Å; F72-L119 HydrophobicContact CE2-CG 4.09Å; F72-L119 HydrophobicContact CG-CB 4.4Å; F72-L119 HydrophobicContact CG-CD1 3.97Å; F72-L119 HydrophobicContact CG-CG 4.42Å; F72-L119 HydrophobicContact CZ-CB 4.22Å; F72-L119 HydrophobicContact CZ-CD1 4.39Å; F72-L119 HydrophobicContact CZ-CG 3.99Å; L116-L119 HydrophobicContact CD1-CB 4.35Å; L116-L119 HydrophobicContact CD1-CD1 3.81Å; L116-L119 VanDerWaalsContact O-CB 3.29Å; L116-L119 WeakPolarHBondContact O-CB 3.38Å; L116-L119 PolarHBondContact O-N 3.44Å; L116-L119 VanDerWaalsContact O-N 3.1Å; L119-V121 HydrophobicContact CD2-CG2 3.95Å; L119-F124 HydrophobicContact CD2-CD2 4.27Å; L119-F124 HydrophobicContact CG-CD2 4.49Å; L119-F124 HydrophobicContact CG-CE2 4.32Å; L119-R157 PolarHBondContact O-NH1 3.05Å; L119-R157 VanDerWaalsContact O-NH1 3.1Å; L119-V158 HydrophobicContact CB-CG2 4.37Å; L119-V158 HydrophobicContact CD1-CG1 4.21Å; L119-V158 HydrophobicContact CD1-CG2 4.15Å; L119-V158 HydrophobicContact CD2-CG2 4.29Å; L119-F162 HydrophobicContact CD2-CE2 3.77Å; L119-F162 HydrophobicContact CD2-CZ 4.28Å
120	D	98.1	Very high	94.7	Very high	68 Å²	68	48.6 Å²	48.6	36%	0.364	25%	0.246	S	C	.	.			trans	-91.5	114.9	166.3	163.7	38.3	0	0	0	110.8	T118 N122 S123 F124	T118-D120 PolarHBondContact O-N 3.13Å; T118-D120 VanDerWaalsContact O-N 3.11Å; D120-N122 PolarHBondContact O-N 3.08Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-N122 WeakPolarHBondContact OD1-CB 3.35Å; D120-N122 PolarHBondContact OD1-N 2.8Å; D120-N122 PolarHBondContact OD1-ND2 2.95Å; D120-S123 WeakPolarHBondContact O-CB 3.39Å; D120-S123 PolarHBondContact O-N 2.82Å; D120-S123 PolarHBondContact OD2-N 3.45Å; D120-S123 PolarHBondContact OD2-OG 2.96Å; D120-F124 WeakPolarHBondContact O-CD2 3.34Å
121	V	97.8	Very high	96.3	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.5	-26.1	-179.5	170.6	0	0	0	0	112.7	L119 S123 F124 E161 F162 K167	L119-V121 HydrophobicContact CD2-CG2 3.95Å; V121-S123 PolarHBondContact O-N 3.01Å; V121-F124 PolarHBondContact O-N 3.4Å; V121-F124 VanDerWaalsContact O-O 3.08Å; V121-E161 HydrophobicContact CB-CB 4.12Å; V121-E161 HydrophobicContact CG1-CB 4.38Å; V121-E161 HydrophobicContact CG2-CB 3.45Å; V121-E161 VanDerWaalsContact CG2-CB 3.45Å; V121-E161 HydrophobicContact CG2-CG 4.47Å; V121-E161 WeakPolarHBondContact CG2-OE2 3.19Å; V121-F162 HydrophobicContact CB-CD2 4.38Å; V121-F162 HydrophobicContact CB-CE2 4.25Å; V121-F162 HydrophobicContact CG1-CD1 4.23Å; V121-F162 HydrophobicContact CG1-CD2 4.1Å; V121-F162 HydrophobicContact CG1-CE1 4.3Å; V121-F162 HydrophobicContact CG1-CE2 4.23Å; V121-F162 HydrophobicContact CG1-CG 4.1Å; V121-F162 HydrophobicContact CG1-CZ 4.31Å; V121-F162 HydrophobicContact CG2-CD2 3.51Å; V121-F162 HydrophobicContact CG2-CE2 3.48Å; V121-F162 VanDerWaalsContact CG2-CE2 3.48Å; V121-F162 HydrophobicContact CG2-CG 4.31Å; V121-F162 HydrophobicContact CG2-CZ 4.22Å; V121-K167 HydrophobicContact CG1-CD 4.07Å; V121-K167 PolarHBondContact O-NZ 2.95Å
122	N	97.5	Very high	97.5	Very high	128 Å²	128	32.5 Å²	32.5	68%	0.684	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-69.3	-22.6	179.1	-60	-60.1	0	0	0	112.9	D120 F124	D120-N122 PolarHBondContact O-N 3.08Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-N122 WeakPolarHBondContact OD1-CB 3.35Å; D120-N122 PolarHBondContact OD1-N 2.8Å; D120-N122 PolarHBondContact OD1-ND2 2.95Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 3.3Å
123	S	96.9	Very high	97.9	Very high	60 Å²	60	27.3 Å²	27.3	42%	0.42	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-80.5	-7.4	-179.8	-67.8	0	0	0	0	114.3	K36 D120 V121	K36-S123 VanDerWaalsContact CD-O 3.22Å; K36-S123 WeakPolarHBondContact CD-O 3.33Å; D120-S123 WeakPolarHBondContact O-CB 3.39Å; D120-S123 PolarHBondContact O-N 2.82Å; D120-S123 PolarHBondContact OD2-N 3.45Å; D120-S123 PolarHBondContact OD2-OG 2.96Å; V121-S123 PolarHBondContact O-N 3.01Å
124	F	97.4	Very high	98.1	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.044	15%	0.154	C	C	.	.			trans	-130.1	155.1	-175.7	-63.2	-82.5	0	0	0	112.3	K36 A38 R70 F72 L119 D120 V121 N122 F162 K167	K36-F124 HydrophobicContact CB-CD1 4.13Å; A38-F124 HydrophobicContact CB-CB 4.48Å; A38-F124 HydrophobicContact CB-CD1 3.92Å; A38-F124 HydrophobicContact CB-CD2 4.2Å; A38-F124 HydrophobicContact CB-CE1 4.18Å; A38-F124 HydrophobicContact CB-CE2 4.45Å; A38-F124 HydrophobicContact CB-CG 3.93Å; A38-F124 HydrophobicContact CB-CZ 4.44Å; R70-F124 HydrophobicContact CB-CE1 3.82Å; R70-F124 HydrophobicContact CB-CZ 3.87Å; R70-F124 HydrophobicContact CG-CE1 4.16Å; R70-F124 HydrophobicContact CG-CZ 4.24Å; F72-F124 HydrophobicContact CE2-CE1 4.19Å; F72-F124 AromaticContact CE2-CE2 3.83Å; F72-F124 HydrophobicContact CE2-CE2 3.83Å; F72-F124 AromaticContact CE2-CZ 3.46Å; F72-F124 HydrophobicContact CE2-CZ 3.46Å; F72-F124 VanDerWaalsContact CE2-CZ 3.46Å; F72-F124 AromaticContact CZ-CE2 3.66Å; F72-F124 HydrophobicContact CZ-CE2 3.66Å; F72-F124 AromaticContact CZ-CZ 3.5Å; F72-F124 HydrophobicContact CZ-CZ 3.5Å; L119-F124 HydrophobicContact CD2-CD2 4.27Å; L119-F124 HydrophobicContact CG-CD2 4.49Å; L119-F124 HydrophobicContact CG-CE2 4.32Å; D120-F124 WeakPolarHBondContact O-CD2 3.34Å; V121-F124 PolarHBondContact O-N 3.4Å; V121-F124 VanDerWaalsContact O-O 3.08Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 3.3Å; F124-F162 HydrophobicContact CB-CE1 4.17Å; F124-F162 HydrophobicContact CB-CZ 3.88Å; F124-K167 VanDerWaalsContact O-CD 3.28Å; F124-K167 WeakPolarHBondContact O-CD 3.31Å; F124-K167 VanDerWaalsContact O-CE 3.25Å; F124-K167 WeakPolarHBondContact O-CE 3.38Å; F124-K167 PolarHBondContact O-NZ 2.96Å
125	D	97.8	Very high	98.2	Very high	55 Å²	55	24.9 Å²	24.9	29%	0.294	15%	0.145	S	C	.	.	S	Bend	trans	-99.4	-19.7	178.1	-57.7	-55.3	0	0	0	112.5	T35 K36 K167 P168 S267	T35-D125 HydrophobicContact CG2-CB 3.79Å; K36-D125 PolarHBondContact N-OD2 3.28Å; K36-D125 PolarHBondContact O-N 3.35Å; D125-K167 WeakPolarHBondContact O-CB 3.27Å; D125-P168 WeakPolarHBondContact O-CD 3.32Å; D125-S267 PolarHBondContact O-OG 3.43Å
126	A	98.6	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	166.6	175.5	0	0	0	0	0	112.1	K36 V37 A38 F162 P168 V263 S267	K36-A126 PolarHBondContact O-N 3.33Å; V37-A126 HydrophobicContact CG1-CB 4.44Å; V37-A126 HydrophobicContact CG2-CB 4.39Å; A38-A126 PolarHBondContact N-O 3.24Å; A126-F162 WeakPolarHBondContact O-CE1 3.23Å; A126-P168 WeakPolarHBondContact CA-O 3.05Å; A126-P168 HydrophobicContact CB-CB 4.3Å; A126-P168 WeakPolarHBondContact CB-O 3.16Å; A126-V263 HydrophobicContact CB-CG1 3.5Å; A126-S267 WeakPolarHBondContact CB-OG 3.35Å
127	V	98.9	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142	169	64	0	0	0	0	110.8	A38 V40 F129 V158 F162 P168 I169 G170	A38-V127 HydrophobicContact CB-CB 4.34Å; A38-V127 HydrophobicContact CB-CG2 4.09Å; A38-V127 CarbonylContact O-C 3.56Å; A38-V127 VanDerWaalsContact O-CA 3.24Å; A38-V127 WeakPolarHBondContact O-CA 3.2Å; V40-V127 HydrophobicContact CG2-CG2 3.78Å; V127-F129 HydrophobicContact CB-CE2 4.46Å; V127-F129 HydrophobicContact CG1-CE2 4.1Å; V127-F129 HydrophobicContact CG2-CD2 4.08Å; V127-F129 HydrophobicContact CG2-CE2 3.52Å; V127-F129 HydrophobicContact CG2-CZ 4.2Å; V127-V158 HydrophobicContact CG2-CG1 4.27Å; V127-F162 HydrophobicContact CB-CD1 4.06Å; V127-F162 HydrophobicContact CB-CD2 3.88Å; V127-F162 HydrophobicContact CB-CE1 3.91Å; V127-F162 HydrophobicContact CB-CE2 3.65Å; V127-F162 HydrophobicContact CB-CG 4.09Å; V127-F162 HydrophobicContact CB-CZ 3.69Å; V127-F162 HydrophobicContact CG1-CB 4.06Å; V127-F162 HydrophobicContact CG1-CD1 3.82Å; V127-F162 HydrophobicContact CG1-CD2 3.63Å; V127-F162 HydrophobicContact CG1-CE1 4.21Å; V127-F162 HydrophobicContact CG1-CE2 3.97Å; V127-F162 HydrophobicContact CG1-CG 3.56Å; V127-F162 HydrophobicContact CG1-CZ 4.27Å; V127-F162 HydrophobicContact CG2-CE2 4.27Å; V127-P168 PolarHBondContact N-O 3.45Å; V127-P168 VanDerWaalsContact N-O 3.07Å; V127-I169 HydrophobicContact CG1-CB 4.29Å; V127-I169 HydrophobicContact CG1-CG1 3.89Å; V127-I169 HydrophobicContact CG1-CG2 4.16Å; V127-I169 CarbonylContact O-C 3.45Å; V127-I169 WeakPolarHBondContact O-CA 3.37Å; V127-G170 PolarHBondContact O-N 3.38Å
128	I	98.9	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.6	172.7	-65.8	171.9	0	0	0	110	V37 A38 V39 V40 T58 L62 G170 M259 V260 V263	V37-I128 HydrophobicContact CG1-CD1 4.04Å; V37-I128 HydrophobicContact CG1-CG1 4.13Å; A38-I128 PolarHBondContact O-N 3.11Å; V39-I128 WeakPolarHBondContact CA-O 3.31Å; V40-I128 PolarHBondContact N-O 3.1Å; T58-I128 HydrophobicContact CG2-CB 4.31Å; T58-I128 HydrophobicContact CG2-CD1 4.23Å; T58-I128 HydrophobicContact CG2-CG2 3.65Å; L62-I128 HydrophobicContact CD1-CD1 4.31Å; L62-I128 HydrophobicContact CD2-CD1 4.15Å; L62-I128 HydrophobicContact CG-CD1 4.45Å; I128-G170 CarbonylContact C-O 3.55Å; I128-G170 VanDerWaalsContact CA-O 3.31Å; I128-G170 WeakPolarHBondContact CA-O 3.41Å; I128-M259 HydrophobicContact CG2-CE 3.73Å; I128-V260 HydrophobicContact CD1-CG2 3.99Å; I128-V263 HydrophobicContact CD1-CB 4.43Å; I128-V263 HydrophobicContact CD1-CG1 4.13Å; I128-V263 HydrophobicContact CD1-CG2 4.4Å; I128-V263 HydrophobicContact CG1-CG1 4.24Å; I128-V263 HydrophobicContact CG1-CG2 4.32Å
129	F	98.9	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.4	169.7	-67.1	-104.1	0	0	0	108.8	V40 V127 L139 V155 V158 L159 G170 L171 A172 A175 L178	V40-F129 HydrophobicContact CB-CD1 3.67Å; V40-F129 HydrophobicContact CB-CE1 3.43Å; V40-F129 VanDerWaalsContact CB-CE1 3.43Å; V40-F129 HydrophobicContact CB-CE2 4.46Å; V40-F129 HydrophobicContact CB-CG 4.29Å; V40-F129 HydrophobicContact CB-CZ 3.87Å; V40-F129 HydrophobicContact CG1-CD1 3.92Å; V40-F129 HydrophobicContact CG1-CE1 3.44Å; V40-F129 VanDerWaalsContact CG1-CE1 3.44Å; V40-F129 HydrophobicContact CG1-CZ 4.14Å; V40-F129 HydrophobicContact CG2-CD1 4.49Å; V40-F129 HydrophobicContact CG2-CE1 3.93Å; V40-F129 HydrophobicContact CG2-CE2 4.31Å; V40-F129 HydrophobicContact CG2-CZ 3.82Å; V127-F129 HydrophobicContact CB-CE2 4.46Å; V127-F129 HydrophobicContact CG1-CE2 4.1Å; V127-F129 HydrophobicContact CG2-CD2 4.08Å; V127-F129 HydrophobicContact CG2-CE2 3.52Å; V127-F129 HydrophobicContact CG2-CZ 4.2Å; F129-L139 HydrophobicContact CD1-CD1 4.16Å; F129-L139 HydrophobicContact CE1-CD1 4.3Å; F129-V155 HydrophobicContact CE1-CG1 3.95Å; F129-V155 HydrophobicContact CZ-CG1 4.27Å; F129-V158 HydrophobicContact CZ-CG1 4.28Å; F129-L159 HydrophobicContact CD2-CD2 4.38Å; F129-L159 HydrophobicContact CE2-CD2 3.75Å; F129-L159 HydrophobicContact CE2-CG 4.33Å; F129-L159 HydrophobicContact CZ-CD2 4.24Å; F129-L159 HydrophobicContact CZ-CG 4.33Å; F129-G170 PolarHBondContact N-O 2.86Å; F129-L171 HydrophobicContact CB-CD2 4.12Å; F129-L171 HydrophobicContact CD2-CD2 4.04Å; F129-L171 HydrophobicContact CG-CD2 4.37Å; F129-A172 PolarHBondContact O-N 2.92Å; F129-A175 HydrophobicContact CB-CB 3.84Å; F129-A175 WeakPolarHBondContact O-CB 3.26Å; F129-L178 HydrophobicContact CD1-CD1 3.91Å; F129-L178 HydrophobicContact CE1-CD1 4.23Å; F129-L178 HydrophobicContact CG-CD1 4.48Å
130	P	98.8	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.			trans	-59.2	153.4	162.3	-20.1	34.2	0	0	0	110.3	V39 V40 F41 E54	V39-P130 HydrophobicContact CG1-CG 3.97Å; V40-P130 WeakPolarHBondContact O-CD 3.47Å; F41-P130 HydrophobicContact CD1-CG 4.21Å; F41-P130 HydrophobicContact CE1-CG 3.84Å; E54-P130 HydrophobicContact CB-CB 4.19Å
131	G	98.3	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.			trans	-80.6	-151.1	179.6	0	0	0	0	0	113.6	S50 D51 E54 A172	S50-G131 VanDerWaalsContact CA-O 3.26Å; S50-G131 WeakPolarHBondContact CA-O 3.38Å; D51-G131 PolarHBondContact N-O 2.91Å; E54-G131 WeakPolarHBondContact OE2-CA 3.22Å; E54-G131 PolarHBondContact OE2-N 3.09Å; G131-A172 WeakPolarHBondContact CA-O 3.3Å; G131-A172 PolarHBondContact N-O 2.96Å
132	G	98	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	100	161.2	-167.9	0	0	0	0	0	112.6	G49 G134 I135	G49-G132 CarbonylContact O-C 3.5Å; G132-G134 PolarHBondContact O-N 3.01Å; G132-I135 WeakPolarHBondContact O-CB 3.24Å; G132-I135 WeakPolarHBondContact O-CG1 3.32Å; G132-I135 PolarHBondContact O-N 3.39Å; G132-I135 VanDerWaalsContact O-N 3.13Å
133	H	98.2	Very high	98.1	Very high	12 Å²	12	17.6 Å²	17.6	6%	0.056	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.2	-175.1	-73.6	77.2	0	0	0	113.5	W46 W47 I135 V136 K137 M174	W46-H133 AromaticContact CD1-ND1 3.93Å; W46-H133 AromaticContact CD2-ND1 3.89Å; W46-H133 AromaticContact CE2-CE1 3.38Å; W46-H133 AromaticContact CE2-ND1 3.48Å; W46-H133 AromaticContact CZ2-CE1 3.5Å; W46-H133 VanDerWaalsContact CZ2-CE1 3.5Å; W46-H133 WeakPolarHBondContact CZ2-CE1 3.28Å; W46-H133 AromaticContact CZ2-ND1 3.87Å; W46-H133 AromaticContact NE1-CE1 3.31Å; W46-H133 PolarHBondContact NE1-CE1 3.24Å; W46-H133 VanDerWaalsContact NE1-CE1 3.31Å; W46-H133 AromaticContact NE1-ND1 3.52Å; W46-H133 VanDerWaalsContact O-CB 3.24Å; W46-H133 WeakPolarHBondContact O-CB 3.5Å; W46-H133 PolarHBondContact O-N 2.86Å; W46-H133 PolarHBondContact O-ND1 2.88Å; W47-H133 AromaticContact CE3-CD2 3.94Å; W47-H133 AromaticContact CE3-CE1 3.43Å; W47-H133 VanDerWaalsContact CE3-CE1 3.43Å; W47-H133 AromaticContact CE3-CG 3.92Å; W47-H133 AromaticContact CE3-ND1 3.6Å; W47-H133 AromaticContact CE3-NE2 3.63Å; W47-H133 AromaticContact CH2-CE1 3.95Å; W47-H133 AromaticContact CZ3-CD2 3.98Å; W47-H133 AromaticContact CZ3-CE1 3.23Å; W47-H133 WeakPolarHBondContact CZ3-CE1 3.35Å; W47-H133 AromaticContact CZ3-ND1 3.91Å; W47-H133 AromaticContact CZ3-NE2 3.24Å; W47-H133 WeakPolarHBondContact CZ3-NE2 3.33Å; W47-H133 WeakPolarHBondContact O-CB 3.29Å; H133-I135 PolarHBondContact O-N 2.98Å; H133-I135 VanDerWaalsContact O-N 3.17Å; H133-V136 HydrophobicContact CB-CG2 4.45Å; H133-V136 VanDerWaalsContact O-CG2 3.3Å; H133-V136 WeakPolarHBondContact O-CG2 3.37Å; H133-V136 PolarHBondContact O-N 3.02Å; H133-K137 HydrophobicContact CB-CD 4.27Å; H133-K137 WeakPolarHBondContact O-CB 3.29Å; H133-K137 WeakPolarHBondContact O-CG 3.41Å; H133-K137 PolarHBondContact O-N 2.94Å; H133-M174 VanDerWaalsContact CE1-CE 3.46Å; H133-M174 WeakPolarHBondContact CE1-CE 3.47Å
134	G	98.5	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-23.8	170.5	0	0	0	0	0	113	S42 G49 G132 N138 L139	S42-G134 WeakPolarHBondContact OG-CA 3.39Å; G49-G134 WeakPolarHBondContact O-CA 3.49Å; G49-G134 PolarHBondContact O-N 3.35Å; G132-G134 PolarHBondContact O-N 3.01Å; G134-N138 WeakPolarHBondContact O-CA 3.33Å; G134-N138 VanDerWaalsContact O-CB 3.31Å; G134-N138 WeakPolarHBondContact O-CB 3.36Å; G134-N138 PolarHBondContact O-N 2.83Å; G134-L139 PolarHBondContact O-N 3.27Å
135	I	98.6	Very high	98.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-48.6	171.6	-62.9	-58.2	0	0	0	111.6	G132 H133 L139 S140 M174 A175 L178	G132-I135 WeakPolarHBondContact O-CB 3.24Å; G132-I135 WeakPolarHBondContact O-CG1 3.32Å; G132-I135 PolarHBondContact O-N 3.39Å; G132-I135 VanDerWaalsContact O-N 3.13Å; H133-I135 PolarHBondContact O-N 2.98Å; H133-I135 VanDerWaalsContact O-N 3.17Å; I135-L139 HydrophobicContact CD1-CD1 3.93Å; I135-S140 PolarHBondContact O-N 2.91Å; I135-S140 PolarHBondContact O-OG 3.26Å; I135-M174 HydrophobicContact CB-CB 4.12Å; I135-M174 HydrophobicContact CG1-CB 4.37Å; I135-M174 HydrophobicContact CG2-CB 4.24Å; I135-A175 HydrophobicContact CD1-CB 4.15Å; I135-A175 HydrophobicContact CG1-CB 4.36Å; I135-L178 HydrophobicContact CD1-CD1 3.89Å; I135-L178 HydrophobicContact CG2-CD1 4.08Å; I135-L178 HydrophobicContact CG2-CD2 3.97Å; I135-L178 HydrophobicContact CG2-CG 3.77Å
136	V	97.9	Very high	98.1	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	13%	0.125	C	C	.	.	H	α-helix	trans	-91.1	-15.6	-173.5	-62.9	0	0	0	0	113.9	H133 S140 F142 M143 M174 M208	H133-V136 HydrophobicContact CB-CG2 4.45Å; H133-V136 VanDerWaalsContact O-CG2 3.3Å; H133-V136 WeakPolarHBondContact O-CG2 3.37Å; H133-V136 PolarHBondContact O-N 3.02Å; V136-S140 CarbonylContact C-O 3.51Å; V136-S140 WeakPolarHBondContact CA-OG 3.24Å; V136-S140 VanDerWaalsContact O-O 3.07Å; V136-F142 HydrophobicContact CB-CB 3.93Å; V136-F142 HydrophobicContact CB-CD1 3.9Å; V136-F142 HydrophobicContact CB-CG 4.31Å; V136-F142 HydrophobicContact CG1-CB 3.94Å; V136-F142 HydrophobicContact CG1-CD1 3.51Å; V136-F142 HydrophobicContact CG1-CE1 4.3Å; V136-F142 HydrophobicContact CG1-CG 3.93Å; V136-F142 PolarHBondContact O-N 2.82Å; V136-M143 WeakPolarHBondContact O-CB 3.43Å; V136-M143 PolarHBondContact O-N 2.73Å; V136-M174 HydrophobicContact CG1-SD 4.46Å; V136-M174 HydrophobicContact CG2-SD 4.28Å; V136-M208 HydrophobicContact CG1-CE 3.47Å; V136-M208 VanDerWaalsContact CG1-CE 3.47Å
137	K	97.8	Very high	98	Very high	22 Å²	22	29 Å²	29	10%	0.096	15%	0.145	C	C	.	.	H	α-helix	trans	-101.9	-41.8	178.8	-66.2	-178.2	-179.6	-179.3	0	113.2	W47 M79 H133 S140 M143	W47-K137 PolarHBondContact O-NZ 2.97Å; M79-K137 HydrophobicContact CB-CB 4.31Å; M79-K137 WeakPolarHBondContact CB-O 3.29Å; M79-K137 WeakPolarHBondContact CE-O 3.36Å; M79-K137 HydrophobicContact SD-CB 3.94Å; M79-K137 HydrophobicContact SD-CG 4.25Å; H133-K137 HydrophobicContact CB-CD 4.27Å; H133-K137 WeakPolarHBondContact O-CB 3.29Å; H133-K137 WeakPolarHBondContact O-CG 3.41Å; H133-K137 PolarHBondContact O-N 2.94Å; K137-S140 CarbonylContact C-O 3.53Å; K137-M143 HydrophobicContact CG-CB 4.34Å
138	N	98.4	Very high	97.9	Very high	18 Å²	18	33.8 Å²	33.8	10%	0.096	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-42.9	-170.1	-52.1	-32.3	0	0	0	112.8	S42 D48 M79 M97 G134 S140	S42-N138 PolarHBondContact O-ND2 2.96Å; D48-N138 PolarHBondContact O-ND2 3.27Å; M79-N138 PolarHBondContact N-OD1 2.82Å; M97-N138 HydrophobicContact CE-CB 4.4Å; M97-N138 HydrophobicContact CG-CB 4.23Å; M97-N138 HydrophobicContact SD-CB 3.42Å; M97-N138 WeakPolarHBondContact SD-CB 3.47Å; G134-N138 WeakPolarHBondContact O-CA 3.33Å; G134-N138 VanDerWaalsContact O-CB 3.31Å; G134-N138 WeakPolarHBondContact O-CB 3.36Å; G134-N138 PolarHBondContact O-N 2.83Å; N138-S140 VanDerWaalsContact C-N 3.34Å
139	L	98.8	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-85.5	-9.9	-179.3	-57.3	-163.6	0	0	0	113.2	P74 M97 F129 G134 I135 L151 H152 V155 L178	P74-L139 HydrophobicContact CG-CD2 3.67Å; M97-L139 HydrophobicContact SD-CD2 4.24Å; F129-L139 HydrophobicContact CD1-CD1 4.16Å; F129-L139 HydrophobicContact CE1-CD1 4.3Å; G134-L139 PolarHBondContact O-N 3.27Å; I135-L139 HydrophobicContact CD1-CD1 3.93Å; L139-L151 WeakPolarHBondContact O-CA 3.04Å; L139-H152 PolarHBondContact O-N 2.93Å; L139-V155 HydrophobicContact CB-CG2 4.13Å; L139-V155 HydrophobicContact CD1-CG2 4.17Å; L139-V155 HydrophobicContact CD2-CG2 3.99Å; L139-V155 HydrophobicContact CG-CG2 4.32Å; L139-L178 HydrophobicContact CB-CD1 4.35Å; L139-L178 HydrophobicContact CB-CD2 4.11Å; L139-L178 HydrophobicContact CD1-CD1 4.11Å
140	S	98.6	Very high	97.8	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.035	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-153.4	167.3	174.8	68.2	0	0	0	0	111.2	I135 V136 K137 N138 F142 K150	I135-S140 PolarHBondContact O-N 2.91Å; I135-S140 PolarHBondContact O-OG 3.26Å; V136-S140 CarbonylContact C-O 3.51Å; V136-S140 WeakPolarHBondContact CA-OG 3.24Å; V136-S140 VanDerWaalsContact O-O 3.07Å; K137-S140 CarbonylContact C-O 3.53Å; N138-S140 VanDerWaalsContact C-N 3.34Å; S140-F142 VanDerWaalsContact C-N 3.26Å; S140-F142 WeakPolarHBondContact OG-CB 3.31Å; S140-F142 PolarHBondContact OG-N 3.29Å; S140-K150 CarbonylContact C-O 3.46Å; S140-K150 WeakPolarHBondContact CA-O 3.3Å; S140-K150 WeakPolarHBondContact CB-O 3.24Å
141	T	98.2	Very high	97.8	Very high	44 Å²	44	41.4 Å²	41.4	27%	0.27	21%	0.205	S	C	.	.	S	Bend	trans	-89.4	17.8	170.7	64.5	0	0	0	0	112.8	M143 K144 D145 C149 K150	T141-M143 VanDerWaalsContact C-N 3.28Å; T141-M143 PolarHBondContact O-N 3.12Å; T141-K144 PolarHBondContact O-N 3.11Å; T141-D145 WeakPolarHBondContact CB-OD2 3.46Å; T141-D145 PolarHBondContact O-N 3.04Å; T141-D145 PolarHBondContact OG1-OD2 3Å; T141-C149 WeakPolarHBondContact OG1-CA 3.36Å; T141-K150 PolarHBondContact N-O 3.38Å; T141-K150 PolarHBondContact OG1-N 2.81Å
142	F	98.3	Very high	97.8	Very high	21 Å²	21	42.5 Å²	42.5	9%	0.092	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-37.4	-172.4	-176.8	-83.8	0	0	0	113.6	V136 S140 K144 G146 C149 V177 M208 A211 M215	V136-F142 HydrophobicContact CB-CB 3.93Å; V136-F142 HydrophobicContact CB-CD1 3.9Å; V136-F142 HydrophobicContact CB-CG 4.31Å; V136-F142 HydrophobicContact CG1-CB 3.94Å; V136-F142 HydrophobicContact CG1-CD1 3.51Å; V136-F142 HydrophobicContact CG1-CE1 4.3Å; V136-F142 HydrophobicContact CG1-CG 3.93Å; V136-F142 PolarHBondContact O-N 2.82Å; S140-F142 VanDerWaalsContact C-N 3.26Å; S140-F142 WeakPolarHBondContact OG-CB 3.31Å; S140-F142 PolarHBondContact OG-N 3.29Å; F142-K144 PolarHBondContact O-N 3.1Å; F142-G146 WeakPolarHBondContact CD2-O 3.41Å; F142-G146 VanDerWaalsContact O-CA 3.3Å; F142-G146 WeakPolarHBondContact O-CA 3.13Å; F142-G146 PolarHBondContact O-N 3.08Å; F142-C149 VanDerWaalsContact CA-CB 3.47Å; F142-C149 HydrophobicContact CB-CB 3.99Å; F142-C149 HydrophobicContact CD2-CB 4.47Å; F142-V177 HydrophobicContact CB-CG1 4.1Å; F142-V177 HydrophobicContact CD2-CG1 3.35Å; F142-V177 HydrophobicContact CD2-CG2 4.37Å; F142-V177 HydrophobicContact CE2-CG1 3.88Å; F142-V177 HydrophobicContact CE2-CG2 4.17Å; F142-V177 HydrophobicContact CG-CG1 3.8Å; F142-V177 HydrophobicContact CZ-CG2 4.4Å; F142-M208 HydrophobicContact CD1-CE 4.2Å; F142-M208 HydrophobicContact CE1-CE 3.78Å; F142-M208 HydrophobicContact CE1-CG 3.88Å; F142-M208 HydrophobicContact CE1-SD 4.38Å; F142-M208 HydrophobicContact CZ-CB 4.32Å; F142-M208 HydrophobicContact CZ-CE 4.26Å; F142-M208 HydrophobicContact CZ-CG 4.12Å; F142-A211 HydrophobicContact CE2-CB 3.85Å; F142-A211 HydrophobicContact CZ-CB 3.75Å; F142-M215 HydrophobicContact CD2-CE 3.81Å; F142-M215 HydrophobicContact CE2-CE 3.73Å
143	M	95.2	Very high	97.8	Very high	117 Å²	117	48.8 Å²	48.8	58%	0.576	24%	0.243	S	C	*	.	H	α-helix	trans	-58.9	-31.1	176.8	-173.8	64.7	-95.5	0	0	112.5	V136 K137 T141	V136-M143 WeakPolarHBondContact O-CB 3.43Å; V136-M143 PolarHBondContact O-N 2.73Å; K137-M143 HydrophobicContact CG-CB 4.34Å; T141-M143 VanDerWaalsContact C-N 3.28Å; T141-M143 PolarHBondContact O-N 3.12Å
144	K	95.8	Very high	97.9	Very high	178 Å²	178	49.8 Å²	49.8	77%	0.774	25%	0.249	S	C	*	.	H	α-helix	trans	-93.4	-44.6	179.6	-173.4	-174.3	173.5	-177.5	0	112.5	T141 F142	T141-K144 PolarHBondContact O-N 3.11Å; F142-K144 PolarHBondContact O-N 3.1Å
145	D	97.6	Very high	97.9	Very high	61 Å²	61	49.8 Å²	49.8	33%	0.326	25%	0.249	S	C	.	.	H	α-helix	trans	-107.6	-3.6	-164.5	-58.3	-26.2	0	0	0	112.9	T141 K147 D148 C149	T141-D145 WeakPolarHBondContact CB-OD2 3.46Å; T141-D145 PolarHBondContact O-N 3.04Å; T141-D145 PolarHBondContact OG1-OD2 3Å; D145-K147 PolarHBondContact O-N 3.03Å; D145-D148 PolarHBondContact O-N 3.15Å; D145-D148 VanDerWaalsContact O-N 3.09Å; D145-C149 HydrophobicContact CB-CB 4.23Å
146	G	97.4	Very high	97.9	Very high	26 Å²	26	52.6 Å²	52.6	27%	0.268	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	54.3	-127.2	178.5	0	0	0	0	0	112.8	F142 D148 C149	F142-G146 WeakPolarHBondContact CD2-O 3.41Å; F142-G146 VanDerWaalsContact O-CA 3.3Å; F142-G146 WeakPolarHBondContact O-CA 3.13Å; F142-G146 PolarHBondContact O-N 3.08Å; G146-D148 PolarHBondContact O-N 2.66Å; G146-C149 VanDerWaalsContact O-CB 3.26Å; G146-C149 WeakPolarHBondContact O-CB 3.37Å; G146-C149 PolarHBondContact O-N 3.43Å
147	K	96.4	Very high	97.9	Very high	99 Å²	99	55.5 Å²	55.5	43%	0.43	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62.2	-22.5	-179.3	69.3	171	-176.4	58.5	0	114.3	D145 C149 A211 M215	D145-K147 PolarHBondContact O-N 3.03Å; K147-C149 VanDerWaalsContact C-N 3.31Å; K147-A211 HydrophobicContact CB-CB 4.39Å; K147-M215 HydrophobicContact CB-CE 4.38Å; K147-M215 HydrophobicContact CB-CG 4.21Å; K147-M215 WeakPolarHBondContact O-CE 3.37Å
148	D	96.8	Very high	98	Very high	101 Å²	101	54.5 Å²	54.5	54%	0.54	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-95.6	13.4	-176.1	-59.5	-51.9	0	0	0	112.2	D145 G146	D145-D148 PolarHBondContact O-N 3.15Å; D145-D148 VanDerWaalsContact O-N 3.09Å; G146-D148 PolarHBondContact O-N 2.66Å
149	C	98.1	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.			trans	-58.1	160.6	-176.7	70.9	0	0	0	0	114.5	T141 F142 D145 G146 K147 R181	T141-C149 WeakPolarHBondContact OG1-CA 3.36Å; F142-C149 VanDerWaalsContact CA-CB 3.47Å; F142-C149 HydrophobicContact CB-CB 3.99Å; F142-C149 HydrophobicContact CD2-CB 4.47Å; D145-C149 HydrophobicContact CB-CB 4.23Å; G146-C149 VanDerWaalsContact O-CB 3.26Å; G146-C149 WeakPolarHBondContact O-CB 3.37Å; G146-C149 PolarHBondContact O-N 3.43Å; K147-C149 VanDerWaalsContact C-N 3.31Å; C149-R181 PolarHBondContact O-NE 2.99Å; C149-R181 PolarHBondContact O-NH2 2.94Å
150	K	98.3	Very high	98	Very high	148 Å²	148	58 Å²	58	64%	0.643	28%	0.283	S	S	*	.			trans	-112.5	147.1	170.4	-62.3	-180	-177	177.6	0	108.7	S140 T141	S140-K150 CarbonylContact C-O 3.46Å; S140-K150 WeakPolarHBondContact CA-O 3.3Å; S140-K150 WeakPolarHBondContact CB-O 3.24Å; T141-K150 PolarHBondContact N-O 3.38Å; T141-K150 PolarHBondContact OG1-N 2.81Å
151	L	98.6	Very high	98	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.068	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-90.5	158.8	175.1	-72.5	75.7	0	0	0	109.8	L139 N153 V155 E156 L159 L178 R181 V182	L139-L151 WeakPolarHBondContact O-CA 3.04Å; L151-N153 PolarHBondContact O-N 3.04Å; L151-V155 HydrophobicContact CD2-CG1 4.02Å; L151-E156 HydrophobicContact CB-CB 4.06Å; L151-E156 HydrophobicContact CD2-CB 4.42Å; L151-L159 HydrophobicContact CD2-CD1 3.87Å; L151-L178 HydrophobicContact CD2-CB 4.01Å; L151-L178 HydrophobicContact CD2-CD2 4.13Å; L151-L178 HydrophobicContact CG-CD2 4.22Å; L151-R181 HydrophobicContact CD1-CB 3.74Å; L151-R181 HydrophobicContact CD1-CG 3.31Å; L151-V182 HydrophobicContact CD1-CG1 3.49Å; L151-V182 VanDerWaalsContact CD1-CG1 3.49Å; L151-V182 HydrophobicContact CD2-CG1 3.76Å; L151-V182 HydrophobicContact CD2-CG2 4.36Å; L151-V182 HydrophobicContact CG-CG1 4.21Å
152	H	98.6	Very high	98	Very high	23 Å²	23	58 Å²	58	11%	0.106	28%	0.279	C	S	.	.			trans	-57.4	134.6	160.1	-178.6	-82.2	0	0	0	109.9	Q76 L139 D154 V155 E156	Q76-H152 VanDerWaalsContact CD-NE2 3.28Å; Q76-H152 PolarHBondContact NE2-NE2 3.35Å; Q76-H152 PolarHBondContact OE1-CD2 3.18Å; Q76-H152 PolarHBondContact OE1-NE2 3.07Å; L139-H152 PolarHBondContact O-N 2.93Å; H152-D154 VanDerWaalsContact C-N 3.32Å; H152-D154 IonicContact CE1-OD2 3.88Å; H152-D154 PolarHBondContact CE1-OD2 3.2Å; H152-D154 PolarHBondContact ND1-N 3.33Å; H152-D154 PolarHBondContact O-N 3.1Å; H152-V155 HydrophobicContact CB-CB 4.31Å; H152-V155 HydrophobicContact CB-CG2 3.9Å; H152-V155 WeakPolarHBondContact O-CA 3.29Å; H152-V155 WeakPolarHBondContact O-CB 3.35Å; H152-V155 PolarHBondContact O-N 3.08Å; H152-E156 PolarHBondContact O-N 2.57Å
153	N	98.5	Very high	98	Very high	132 Å²	132	58.7 Å²	58.7	71%	0.706	28%	0.283	S	S	*	.	H	α-helix	trans	-54	-44.3	-171.3	-68.7	-15.3	0	0	0	113.3	L151 V155 E156 R157	L151-N153 PolarHBondContact O-N 3.04Å; N153-V155 VanDerWaalsContact C-N 3.32Å; N153-V155 PolarHBondContact O-N 2.73Å; N153-E156 PolarHBondContact O-N 2.66Å; N153-R157 WeakPolarHBondContact O-CB 3.26Å; N153-R157 PolarHBondContact O-N 3.3Å
154	D	98.7	Very high	98.2	Very high	32 Å²	32	62.2 Å²	62.2	17%	0.171	29%	0.29	C	S	.	.	H	α-helix	trans	-68.3	-30.8	178.1	-72.8	-55	0	0	0	113.4	L116 S117 H152 R157 V158	L116-D154 HydrophobicContact CB-CB 4.39Å; L116-D154 HydrophobicContact CD2-CB 3.8Å; L116-D154 HydrophobicContact CG-CB 3.89Å; S117-D154 WeakPolarHBondContact CA-OD1 3.43Å; H152-D154 VanDerWaalsContact C-N 3.32Å; H152-D154 IonicContact CE1-OD2 3.88Å; H152-D154 PolarHBondContact CE1-OD2 3.2Å; H152-D154 PolarHBondContact ND1-N 3.33Å; H152-D154 PolarHBondContact O-N 3.1Å; D154-R157 IonicContact OD1-CZ 3.12Å; D154-R157 IonicContact OD1-NE 2.73Å; D154-R157 PolarHBondContact OD1-NE 2.87Å; D154-R157 IonicContact OD1-NH2 3.13Å; D154-R157 PolarHBondContact OD1-NH2 2.89Å; D154-V158 VanDerWaalsContact O-CB 3.3Å; D154-V158 WeakPolarHBondContact O-CB 3.42Å; D154-V158 WeakPolarHBondContact O-CG2 3.39Å; D154-V158 PolarHBondContact O-N 2.97Å
155	V	98.8	Very high	98.3	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-45.6	177.9	178.4	0	0	0	0	109.4	L116 F129 L139 L151 H152 N153 V158 L159 L178	L116-V155 HydrophobicContact CD2-CG2 3.67Å; F129-V155 HydrophobicContact CE1-CG1 3.95Å; F129-V155 HydrophobicContact CZ-CG1 4.27Å; L139-V155 HydrophobicContact CB-CG2 4.13Å; L139-V155 HydrophobicContact CD1-CG2 4.17Å; L139-V155 HydrophobicContact CD2-CG2 3.99Å; L139-V155 HydrophobicContact CG-CG2 4.32Å; L151-V155 HydrophobicContact CD2-CG1 4.02Å; H152-V155 HydrophobicContact CB-CB 4.31Å; H152-V155 HydrophobicContact CB-CG2 3.9Å; H152-V155 WeakPolarHBondContact O-CA 3.29Å; H152-V155 WeakPolarHBondContact O-CB 3.35Å; H152-V155 PolarHBondContact O-N 3.08Å; N153-V155 VanDerWaalsContact C-N 3.32Å; N153-V155 PolarHBondContact O-N 2.73Å; V155-V158 PolarHBondContact O-N 2.76Å; V155-L159 HydrophobicContact CG1-CD1 3.95Å; V155-L159 WeakPolarHBondContact O-CB 3.39Å; V155-L159 WeakPolarHBondContact O-CG 3.44Å; V155-L159 PolarHBondContact O-N 3.03Å; V155-L178 HydrophobicContact CG1-CD1 3.91Å; V155-L178 HydrophobicContact CG1-CD2 4.39Å
156	E	98.8	Very high	98.3	Very high	60 Å²	60	58.7 Å²	58.7	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-46.7	174.6	176.1	167.4	170.6	0	0	111.9	L151 H152 N153 K160 V182	L151-E156 HydrophobicContact CB-CB 4.06Å; L151-E156 HydrophobicContact CD2-CB 4.42Å; H152-E156 PolarHBondContact O-N 2.57Å; N153-E156 PolarHBondContact O-N 2.66Å; E156-K160 HydrophobicContact CG-CD 3.97Å; E156-K160 WeakPolarHBondContact O-CB 3.24Å; E156-K160 WeakPolarHBondContact O-CG 3.42Å; E156-K160 PolarHBondContact O-N 2.77Å; E156-K160 WeakPolarHBondContact OE1-CE 3.49Å; E156-K160 IonicContact OE1-NZ 2.8Å; E156-K160 PolarHBondContact OE1-NZ 3.24Å; E156-V182 HydrophobicContact CB-CG1 4.42Å; E156-V182 HydrophobicContact CG-CB 4.5Å; E156-V182 HydrophobicContact CG-CG1 3.93Å
157	R	98.8	Very high	98.3	Very high	66 Å²	66	59.2 Å²	59.2	25%	0.249	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-54.3	175.6	176.7	-177.2	58.1	77.1	-2.1	110.8	L116 L119 N153 D154 L159 K160 E161	L116-R157 PolarHBondContact O-NH2 3Å; L116-R157 VanDerWaalsContact O-NH2 3.1Å; L119-R157 PolarHBondContact O-NH1 3.05Å; L119-R157 VanDerWaalsContact O-NH1 3.1Å; N153-R157 WeakPolarHBondContact O-CB 3.26Å; N153-R157 PolarHBondContact O-N 3.3Å; D154-R157 IonicContact OD1-CZ 3.12Å; D154-R157 IonicContact OD1-NE 2.73Å; D154-R157 PolarHBondContact OD1-NE 2.87Å; D154-R157 IonicContact OD1-NH2 3.13Å; D154-R157 PolarHBondContact OD1-NH2 2.89Å; R157-L159 PolarHBondContact O-N 3.35Å; R157-K160 PolarHBondContact O-N 2.85Å; R157-E161 VanDerWaalsContact CG-CD 3.48Å; R157-E161 HydrophobicContact CG-CG 4.23Å; R157-E161 WeakPolarHBondContact CG-OE1 3.32Å; R157-E161 IonicContact NH1-OE2 3.38Å; R157-E161 PolarHBondContact NH1-OE2 3.37Å; R157-E161 VanDerWaalsContact NH1-OE2 3.12Å; R157-E161 WeakPolarHBondContact O-CB 3.34Å; R157-E161 VanDerWaalsContact O-CG 3.29Å; R157-E161 WeakPolarHBondContact O-CG 3.45Å; R157-E161 PolarHBondContact O-N 3.26Å
158	V	98.9	Very high	98.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-49.6	-177.8	165.5	0	0	0	0	110.9	L116 L119 V127 F129 D154 V155 K160 E161 F162	L116-V158 HydrophobicContact CD1-CG2 4.08Å; L116-V158 HydrophobicContact CG-CG2 4.43Å; L119-V158 HydrophobicContact CB-CG2 4.37Å; L119-V158 HydrophobicContact CD1-CG1 4.21Å; L119-V158 HydrophobicContact CD1-CG2 4.15Å; L119-V158 HydrophobicContact CD2-CG2 4.29Å; V127-V158 HydrophobicContact CG2-CG1 4.27Å; F129-V158 HydrophobicContact CZ-CG1 4.28Å; D154-V158 VanDerWaalsContact O-CB 3.3Å; D154-V158 WeakPolarHBondContact O-CB 3.42Å; D154-V158 WeakPolarHBondContact O-CG2 3.39Å; D154-V158 PolarHBondContact O-N 2.97Å; V155-V158 PolarHBondContact O-N 2.76Å; V158-K160 PolarHBondContact O-N 3.39Å; V158-E161 PolarHBondContact O-N 2.77Å; V158-F162 HydrophobicContact CG1-CD2 3.73Å; V158-F162 HydrophobicContact CG1-CE2 3.84Å; V158-F162 VanDerWaalsContact O-CD2 3.32Å; V158-F162 WeakPolarHBondContact O-CD2 3.24Å; V158-F162 PolarHBondContact O-N 2.56Å
159	L	98.9	Very high	98.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-46.1	179.7	-73.3	168.9	0	0	0	112.3	F129 L151 V155 R157 H163 I169 L178 V182	F129-L159 HydrophobicContact CD2-CD2 4.38Å; F129-L159 HydrophobicContact CE2-CD2 3.75Å; F129-L159 HydrophobicContact CE2-CG 4.33Å; F129-L159 HydrophobicContact CZ-CD2 4.24Å; F129-L159 HydrophobicContact CZ-CG 4.33Å; L151-L159 HydrophobicContact CD2-CD1 3.87Å; V155-L159 HydrophobicContact CG1-CD1 3.95Å; V155-L159 WeakPolarHBondContact O-CB 3.39Å; V155-L159 WeakPolarHBondContact O-CG 3.44Å; V155-L159 PolarHBondContact O-N 3.03Å; R157-L159 PolarHBondContact O-N 3.35Å; L159-H163 WeakPolarHBondContact O-CB 3.25Å; L159-H163 PolarHBondContact O-N 3.06Å; L159-I169 HydrophobicContact CD2-CD1 4.18Å; L159-I169 HydrophobicContact CD2-CG2 3.79Å; L159-L178 HydrophobicContact CD1-CB 3.67Å; L159-V182 HydrophobicContact CB-CG2 3.98Å; L159-V182 HydrophobicContact CD1-CG2 4.04Å
160	K	98.8	Very high	98.6	Very high	92 Å²	92	49.8 Å²	49.8	40%	0.4	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-40.5	177.7	-74.3	178.3	172.2	177.3	0	112	E156 R157 V158 R164	E156-K160 HydrophobicContact CG-CD 3.97Å; E156-K160 WeakPolarHBondContact O-CB 3.24Å; E156-K160 WeakPolarHBondContact O-CG 3.42Å; E156-K160 PolarHBondContact O-N 2.77Å; E156-K160 WeakPolarHBondContact OE1-CE 3.49Å; E156-K160 IonicContact OE1-NZ 2.8Å; E156-K160 PolarHBondContact OE1-NZ 3.24Å; R157-K160 PolarHBondContact O-N 2.85Å; V158-K160 PolarHBondContact O-N 3.39Å; K160-R164 WeakPolarHBondContact O-CB 3.27Å; K160-R164 PolarHBondContact O-N 2.97Å
161	E	98.7	Very high	98.6	Very high	49 Å²	49	42.7 Å²	42.7	23%	0.229	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-42.9	179.5	-75.3	175.7	169	0	0	112.3	V121 R157 V158 S165	V121-E161 HydrophobicContact CB-CB 4.12Å; V121-E161 HydrophobicContact CG1-CB 4.38Å; V121-E161 HydrophobicContact CG2-CB 3.45Å; V121-E161 VanDerWaalsContact CG2-CB 3.45Å; V121-E161 HydrophobicContact CG2-CG 4.47Å; V121-E161 WeakPolarHBondContact CG2-OE2 3.19Å; R157-E161 VanDerWaalsContact CG-CD 3.48Å; R157-E161 HydrophobicContact CG-CG 4.23Å; R157-E161 WeakPolarHBondContact CG-OE1 3.32Å; R157-E161 IonicContact NH1-OE2 3.38Å; R157-E161 PolarHBondContact NH1-OE2 3.37Å; R157-E161 VanDerWaalsContact NH1-OE2 3.12Å; R157-E161 WeakPolarHBondContact O-CB 3.34Å; R157-E161 VanDerWaalsContact O-CG 3.29Å; R157-E161 WeakPolarHBondContact O-CG 3.45Å; R157-E161 PolarHBondContact O-N 3.26Å; V158-E161 PolarHBondContact O-N 2.77Å; E161-S165 VanDerWaalsContact O-CB 3.23Å; E161-S165 WeakPolarHBondContact O-CB 3.07Å; E161-S165 PolarHBondContact O-N 2.96Å; E161-S165 PolarHBondContact O-OG 3.48Å
162	F	98.8	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-45.7	174.8	-88.8	-87.6	0	0	0	111.8	A38 L119 V121 F124 A126 V127 V158 S165 R166 K167 I169	A38-F162 HydrophobicContact CB-CZ 4.35Å; L119-F162 HydrophobicContact CD2-CE2 3.77Å; L119-F162 HydrophobicContact CD2-CZ 4.28Å; V121-F162 HydrophobicContact CB-CD2 4.38Å; V121-F162 HydrophobicContact CB-CE2 4.25Å; V121-F162 HydrophobicContact CG1-CD1 4.23Å; V121-F162 HydrophobicContact CG1-CD2 4.1Å; V121-F162 HydrophobicContact CG1-CE1 4.3Å; V121-F162 HydrophobicContact CG1-CE2 4.23Å; V121-F162 HydrophobicContact CG1-CG 4.1Å; V121-F162 HydrophobicContact CG1-CZ 4.31Å; V121-F162 HydrophobicContact CG2-CD2 3.51Å; V121-F162 HydrophobicContact CG2-CE2 3.48Å; V121-F162 VanDerWaalsContact CG2-CE2 3.48Å; V121-F162 HydrophobicContact CG2-CG 4.31Å; V121-F162 HydrophobicContact CG2-CZ 4.22Å; F124-F162 HydrophobicContact CB-CE1 4.17Å; F124-F162 HydrophobicContact CB-CZ 3.88Å; A126-F162 WeakPolarHBondContact O-CE1 3.23Å; V127-F162 HydrophobicContact CB-CD1 4.06Å; V127-F162 HydrophobicContact CB-CD2 3.88Å; V127-F162 HydrophobicContact CB-CE1 3.91Å; V127-F162 HydrophobicContact CB-CE2 3.65Å; V127-F162 HydrophobicContact CB-CG 4.09Å; V127-F162 HydrophobicContact CB-CZ 3.69Å; V127-F162 HydrophobicContact CG1-CB 4.06Å; V127-F162 HydrophobicContact CG1-CD1 3.82Å; V127-F162 HydrophobicContact CG1-CD2 3.63Å; V127-F162 HydrophobicContact CG1-CE1 4.21Å; V127-F162 HydrophobicContact CG1-CE2 3.97Å; V127-F162 HydrophobicContact CG1-CG 3.56Å; V127-F162 HydrophobicContact CG1-CZ 4.27Å; V127-F162 HydrophobicContact CG2-CE2 4.27Å; V158-F162 HydrophobicContact CG1-CD2 3.73Å; V158-F162 HydrophobicContact CG1-CE2 3.84Å; V158-F162 VanDerWaalsContact O-CD2 3.32Å; V158-F162 WeakPolarHBondContact O-CD2 3.24Å; V158-F162 PolarHBondContact O-N 2.56Å; F162-S165 CarbonylContact O-C 3.51Å; F162-S165 PolarHBondContact O-N 3.08Å; F162-R166 PolarHBondContact O-N 3.06Å; F162-K167 HydrophobicContact CD1-CB 3.58Å; F162-K167 HydrophobicContact CD1-CD 4.2Å; F162-K167 HydrophobicContact CE1-CB 4.24Å; F162-K167 HydrophobicContact CE1-CD 4.24Å; F162-K167 PolarHBondContact O-N 3.42Å; F162-I169 HydrophobicContact CB-CD1 4.11Å; F162-I169 HydrophobicContact CB-CG1 3.94Å
163	H	98.6	Very high	98.6	Very high	36 Å²	36	41 Å²	41	17%	0.167	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-49.1	177.7	179.1	-99	0	0	0	112	L159 S165 R166 I169 L183 N233	L159-H163 WeakPolarHBondContact O-CB 3.25Å; L159-H163 PolarHBondContact O-N 3.06Å; H163-S165 PolarHBondContact O-N 3.01Å; H163-R166 PolarHBondContact O-N 3.03Å; H163-I169 HydrophobicContact CB-CD1 4.16Å; H163-L183 HydrophobicContact CB-CD1 4.03Å; H163-L183 HydrophobicContact CB-CD2 3.63Å; H163-L183 HydrophobicContact CB-CG 4.49Å; H163-N233 PolarHBondContact NE2-OD1 3.46Å
164	R	98.2	Very high	98.6	Very high	191 Å²	191	34.7 Å²	34.7	72%	0.721	15%	0.15	S	C	*	.	H	α-helix	trans	-58.7	-37.5	176	-176.7	178.7	66	179.4	-3.4	112	K160 R166	K160-R164 WeakPolarHBondContact O-CB 3.27Å; K160-R164 PolarHBondContact O-N 2.97Å; R164-R166 PolarHBondContact O-N 3.31Å
165	S	97.9	Very high	98.6	Very high	46 Å²	46	33.2 Å²	33.2	32%	0.322	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.1	178.2	-53.6	0	0	0	0	113.6	E161 F162 H163 K167	E161-S165 VanDerWaalsContact O-CB 3.23Å; E161-S165 WeakPolarHBondContact O-CB 3.07Å; E161-S165 PolarHBondContact O-N 2.96Å; E161-S165 PolarHBondContact O-OG 3.48Å; F162-S165 CarbonylContact O-C 3.51Å; F162-S165 PolarHBondContact O-N 3.08Å; H163-S165 PolarHBondContact O-N 3.01Å; S165-K167 PolarHBondContact O-N 2.71Å
166	R	97.4	Very high	98.6	Very high	119 Å²	119	33.2 Å²	33.2	45%	0.449	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	36.7	-178.2	-54	-67.3	-68	154.5	0.8	112.3	F162 H163 R164 K232 K234	F162-R166 PolarHBondContact O-N 3.06Å; H163-R166 PolarHBondContact O-N 3.03Å; R164-R166 PolarHBondContact O-N 3.31Å; R166-K232 PolarHBondContact NH1-O 3.16Å; R166-K232 PolarHBondContact NH2-O 3.04Å; R166-K234 WeakPolarHBondContact O-CD 3.34Å; R166-K234 WeakPolarHBondContact O-CE 3.33Å; R166-K234 PolarHBondContact O-NZ 2.98Å
167	K	98.1	Very high	98.5	Very high	37 Å²	37	30.3 Å²	30.3	16%	0.161	13%	0.129	C	C	.	.			trans	-102.9	139.7	177	-71.6	176.8	179.5	-176.3	0	109.7	V121 F124 D125 F162 S165	V121-K167 HydrophobicContact CG1-CD 4.07Å; V121-K167 PolarHBondContact O-NZ 2.95Å; F124-K167 VanDerWaalsContact O-CD 3.28Å; F124-K167 WeakPolarHBondContact O-CD 3.31Å; F124-K167 VanDerWaalsContact O-CE 3.25Å; F124-K167 WeakPolarHBondContact O-CE 3.38Å; F124-K167 PolarHBondContact O-NZ 2.96Å; D125-K167 WeakPolarHBondContact O-CB 3.27Å; F162-K167 HydrophobicContact CD1-CB 3.58Å; F162-K167 HydrophobicContact CD1-CD 4.2Å; F162-K167 HydrophobicContact CE1-CB 4.24Å; F162-K167 HydrophobicContact CE1-CD 4.24Å; F162-K167 PolarHBondContact O-N 3.42Å; S165-K167 PolarHBondContact O-N 2.71Å
168	P	98.6	Very high	98.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	12%	0.117	C	C	.	.			trans	-66	146.6	-173.2	-19.8	33.4	0	0	0	113.4	D125 A126 V127 K234 V263 L266	D125-P168 WeakPolarHBondContact O-CD 3.32Å; A126-P168 WeakPolarHBondContact CA-O 3.05Å; A126-P168 HydrophobicContact CB-CB 4.3Å; A126-P168 WeakPolarHBondContact CB-O 3.16Å; V127-P168 PolarHBondContact N-O 3.45Å; V127-P168 VanDerWaalsContact N-O 3.07Å; P168-K234 VanDerWaalsContact CA-O 3.25Å; P168-K234 WeakPolarHBondContact CA-O 3.34Å; P168-K234 HydrophobicContact CB-CB 4.38Å; P168-K234 HydrophobicContact CG-CB 4.5Å; P168-K234 HydrophobicContact CG-CD 4.37Å; P168-V263 HydrophobicContact CB-CG1 4.28Å; P168-L266 HydrophobicContact CB-CB 3.99Å; P168-L266 VanDerWaalsContact CG-C 3.42Å; P168-L266 HydrophobicContact CG-CB 3.38Å
169	I	98.9	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.1	176	-58.6	170.9	0	0	0	107.6	V127 L159 F162 H163 L171 L183 K234 V235 V236	V127-I169 HydrophobicContact CG1-CB 4.29Å; V127-I169 HydrophobicContact CG1-CG1 3.89Å; V127-I169 HydrophobicContact CG1-CG2 4.16Å; V127-I169 CarbonylContact O-C 3.45Å; V127-I169 WeakPolarHBondContact O-CA 3.37Å; L159-I169 HydrophobicContact CD2-CD1 4.18Å; L159-I169 HydrophobicContact CD2-CG2 3.79Å; F162-I169 HydrophobicContact CB-CD1 4.11Å; F162-I169 HydrophobicContact CB-CG1 3.94Å; H163-I169 HydrophobicContact CB-CD1 4.16Å; I169-L171 HydrophobicContact CG2-CD1 4.18Å; I169-L171 HydrophobicContact CG2-CD2 3.77Å; I169-L171 HydrophobicContact CG2-CG 3.93Å; I169-L183 HydrophobicContact CD1-CD1 3.87Å; I169-K234 PolarHBondContact N-O 2.85Å; I169-V235 WeakPolarHBondContact O-CA 3.37Å; I169-V236 PolarHBondContact O-N 3.3Å
170	G	98.9	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.2	174.1	0	0	0	0	0	112.1	V127 I128 F129 V236	V127-G170 PolarHBondContact O-N 3.38Å; I128-G170 CarbonylContact C-O 3.55Å; I128-G170 VanDerWaalsContact CA-O 3.31Å; I128-G170 WeakPolarHBondContact CA-O 3.41Å; F129-G170 PolarHBondContact N-O 2.86Å; G170-V236 CarbonylContact C-O 3.54Å; G170-V236 WeakPolarHBondContact CA-O 3.49Å
171	L	98.9	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	115.5	-171.3	-56.2	166.5	0	0	0	110.2	F129 I169 A175 P176 A179 V235 V236 S237 T238 M259	F129-L171 HydrophobicContact CB-CD2 4.12Å; F129-L171 HydrophobicContact CD2-CD2 4.04Å; F129-L171 HydrophobicContact CG-CD2 4.37Å; I169-L171 HydrophobicContact CG2-CD1 4.18Å; I169-L171 HydrophobicContact CG2-CD2 3.77Å; I169-L171 HydrophobicContact CG2-CG 3.93Å; L171-A175 HydrophobicContact CB-CB 3.97Å; L171-A175 HydrophobicContact CD2-CB 4.07Å; L171-P176 HydrophobicContact CB-CG 3.86Å; L171-A179 HydrophobicContact CD1-CB 3.4Å; L171-A179 VanDerWaalsContact CD1-CB 3.4Å; L171-V235 HydrophobicContact CD1-CG1 3.69Å; L171-V236 PolarHBondContact N-O 3.02Å; L171-S237 WeakPolarHBondContact O-CA 3.43Å; L171-T238 PolarHBondContact O-N 3.32Å; L171-T238 VanDerWaalsContact O-N 3.08Å; L171-M259 PolarHBondContact N-SD 3.38Å; L171-M259 VanDerWaalsContact N-SD 3.39Å
172	A	98.8	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.4	176.4	0	0	0	0	0	112.1	E54 F129 G131 M174 A175 T238 M259	E54-A172 VanDerWaalsContact OE2-CB 3.27Å; E54-A172 WeakPolarHBondContact OE2-CB 3.24Å; F129-A172 PolarHBondContact O-N 2.92Å; G131-A172 WeakPolarHBondContact CA-O 3.3Å; G131-A172 PolarHBondContact N-O 2.96Å; A172-M174 PolarHBondContact O-N 2.86Å; A172-M174 VanDerWaalsContact O-N 3.08Å; A172-A175 WeakPolarHBondContact O-CB 3.14Å; A172-A175 PolarHBondContact O-N 3.41Å; A172-T238 HydrophobicContact CB-CG2 3.84Å; A172-M259 HydrophobicContact CB-CE 4.36Å; A172-M259 HydrophobicContact CB-SD 4.26Å
173	S	97.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-109.6	172.2	172.5	0	0	0	0	113.6	E54 P176 T238 P239	E54-S173 WeakPolarHBondContact OE1-CB 3.37Å; S173-P176 WeakPolarHBondContact O-CD 3.38Å; S173-T238 PolarHBondContact N-O 3.49Å; S173-P239 VanDerWaalsContact CA-O 3.23Å; S173-P239 WeakPolarHBondContact CA-O 3.42Å
174	M	98.3	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.7	-179.3	-62.9	-176.8	-179.1	0	0	113.6	W46 H133 I135 V136 A172 P176 V177 Q205 M208 M242	W46-M174 HydrophobicContact CH2-CE 3.98Å; W46-M174 HydrophobicContact CZ2-CE 4.02Å; H133-M174 VanDerWaalsContact CE1-CE 3.46Å; H133-M174 WeakPolarHBondContact CE1-CE 3.47Å; I135-M174 HydrophobicContact CB-CB 4.12Å; I135-M174 HydrophobicContact CG1-CB 4.37Å; I135-M174 HydrophobicContact CG2-CB 4.24Å; V136-M174 HydrophobicContact CG1-SD 4.46Å; V136-M174 HydrophobicContact CG2-SD 4.28Å; A172-M174 PolarHBondContact O-N 2.86Å; A172-M174 VanDerWaalsContact O-N 3.08Å; M174-P176 VanDerWaalsContact C-N 3.32Å; M174-V177 WeakPolarHBondContact O-CB 3.36Å; M174-V177 WeakPolarHBondContact O-CG2 3.47Å; M174-V177 PolarHBondContact O-N 2.97Å; M174-V177 VanDerWaalsContact O-N 3.13Å; M174-Q205 HydrophobicContact CE-CG 4.24Å; M174-M208 HydrophobicContact CB-CE 4.02Å; M174-M208 HydrophobicContact CE-SD 4.23Å; M174-M208 HydrophobicContact CG-CE 3.89Å; M174-M208 HydrophobicContact CG-SD 4.16Å; M174-M208 HydrophobicContact SD-CE 4.25Å; M174-M208 HydrophobicContact SD-SD 4.28Å; M174-M242 HydrophobicContact CG-SD 3.82Å
175	A	98.8	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.6	-175.6	0	0	0	0	0	115.6	F129 I135 L171 A172 V177 L178	F129-A175 HydrophobicContact CB-CB 3.84Å; F129-A175 WeakPolarHBondContact O-CB 3.26Å; I135-A175 HydrophobicContact CD1-CB 4.15Å; I135-A175 HydrophobicContact CG1-CB 4.36Å; L171-A175 HydrophobicContact CB-CB 3.97Å; L171-A175 HydrophobicContact CD2-CB 4.07Å; A172-A175 WeakPolarHBondContact O-CB 3.14Å; A172-A175 PolarHBondContact O-N 3.41Å; A175-V177 PolarHBondContact O-N 2.9Å; A175-V177 VanDerWaalsContact O-N 3.08Å; A175-L178 WeakPolarHBondContact O-CB 3.49Å; A175-L178 PolarHBondContact O-N 3.07Å
176	P	98.8	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-53	-28.3	174.7	-29.9	39.2	0	0	0	114.7	L171 S173 M174 L178 A179 C180 V188 M190	L171-P176 HydrophobicContact CB-CG 3.86Å; S173-P176 WeakPolarHBondContact O-CD 3.38Å; M174-P176 VanDerWaalsContact C-N 3.32Å; P176-L178 PolarHBondContact O-N 2.81Å; P176-A179 PolarHBondContact O-N 2.94Å; P176-C180 WeakPolarHBondContact O-CB 3.3Å; P176-C180 PolarHBondContact O-N 2.94Å; P176-C180 PolarHBondContact O-SG 2.63Å; P176-V188 HydrophobicContact CB-CB 4.16Å; P176-V188 HydrophobicContact CB-CG1 4.26Å; P176-V188 HydrophobicContact CB-CG2 4.25Å; P176-M190 HydrophobicContact CB-CG 3.79Å; P176-M190 HydrophobicContact CB-SD 4.02Å; P176-M190 HydrophobicContact CG-CG 3.84Å
177	V	98.6	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-50.9	-41.9	173.6	169.1	0	0	0	0	111.8	F142 M174 A175 R181 M190 M208 V212 M215	F142-V177 HydrophobicContact CB-CG1 4.1Å; F142-V177 HydrophobicContact CD2-CG1 3.35Å; F142-V177 HydrophobicContact CD2-CG2 4.37Å; F142-V177 HydrophobicContact CE2-CG1 3.88Å; F142-V177 HydrophobicContact CE2-CG2 4.17Å; F142-V177 HydrophobicContact CG-CG1 3.8Å; F142-V177 HydrophobicContact CZ-CG2 4.4Å; M174-V177 WeakPolarHBondContact O-CB 3.36Å; M174-V177 WeakPolarHBondContact O-CG2 3.47Å; M174-V177 PolarHBondContact O-N 2.97Å; M174-V177 VanDerWaalsContact O-N 3.13Å; A175-V177 PolarHBondContact O-N 2.9Å; A175-V177 VanDerWaalsContact O-N 3.08Å; V177-R181 WeakPolarHBondContact O-CB 3.17Å; V177-R181 PolarHBondContact O-N 2.88Å; V177-M190 HydrophobicContact CG2-CE 3.97Å; V177-M208 HydrophobicContact CG2-CE 3.61Å; V177-V212 HydrophobicContact CG2-CG1 3.9Å; V177-M215 HydrophobicContact CG1-CE 4.32Å
178	L	98.8	Very high	97.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-50	-177	-56.5	176	0	0	0	111.1	F129 I135 L139 L151 V155 L159 A175 P176 R181	F129-L178 HydrophobicContact CD1-CD1 3.91Å; F129-L178 HydrophobicContact CE1-CD1 4.23Å; F129-L178 HydrophobicContact CG-CD1 4.48Å; I135-L178 HydrophobicContact CD1-CD1 3.89Å; I135-L178 HydrophobicContact CG2-CD1 4.08Å; I135-L178 HydrophobicContact CG2-CD2 3.97Å; I135-L178 HydrophobicContact CG2-CG 3.77Å; L139-L178 HydrophobicContact CB-CD1 4.35Å; L139-L178 HydrophobicContact CB-CD2 4.11Å; L139-L178 HydrophobicContact CD1-CD1 4.11Å; L151-L178 HydrophobicContact CD2-CB 4.01Å; L151-L178 HydrophobicContact CD2-CD2 4.13Å; L151-L178 HydrophobicContact CG-CD2 4.22Å; V155-L178 HydrophobicContact CG1-CD1 3.91Å; V155-L178 HydrophobicContact CG1-CD2 4.39Å; L159-L178 HydrophobicContact CD1-CB 3.67Å; A175-L178 WeakPolarHBondContact O-CB 3.49Å; A175-L178 PolarHBondContact O-N 3.07Å; P176-L178 PolarHBondContact O-N 2.81Å; L178-R181 PolarHBondContact O-N 3.42Å
179	A	98.6	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.9	-42.5	-178.8	0	0	0	0	0	111.9	L171 P176 R181 V182 L183 I186	L171-A179 HydrophobicContact CD1-CB 3.4Å; L171-A179 VanDerWaalsContact CD1-CB 3.4Å; P176-A179 PolarHBondContact O-N 2.94Å; A179-R181 PolarHBondContact O-N 3.1Å; A179-V182 PolarHBondContact O-N 3.33Å; A179-L183 HydrophobicContact CB-CD1 4.08Å; A179-L183 WeakPolarHBondContact O-CB 3.43Å; A179-L183 PolarHBondContact O-N 2.93Å; A179-I186 HydrophobicContact CB-CD1 3.71Å
180	C	98.4	Very high	97.9	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.034	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-32.7	179.5	-65.7	0	0	0	0	111.9	P176 I186 V212 M215 A217	P176-C180 WeakPolarHBondContact O-CB 3.3Å; P176-C180 PolarHBondContact O-N 2.94Å; P176-C180 PolarHBondContact O-SG 2.63Å; C180-I186 HydrophobicContact CB-CD1 4.43Å; C180-V212 HydrophobicContact CB-CB 4.06Å; C180-V212 HydrophobicContact CB-CG1 4.11Å; C180-M215 HydrophobicContact CB-CB 4.48Å; C180-M215 HydrophobicContact CB-SD 4.05Å; C180-A217 HydrophobicContact CB-CB 4.02Å; C180-A217 WeakPolarHBondContact SG-CB 3.35Å
181	R	98.2	Very high	97.8	Very high	98 Å²	98	17.4 Å²	17.4	37%	0.37	10%	0.097	S	C	.	.	H	α-helix	trans	-74.6	-28.4	-177.8	179.8	58.4	-171.2	92	-2.8	113.8	C149 L151 V177 L178 A179 M215	C149-R181 PolarHBondContact O-NE 2.99Å; C149-R181 PolarHBondContact O-NH2 2.94Å; L151-R181 HydrophobicContact CD1-CB 3.74Å; L151-R181 HydrophobicContact CD1-CG 3.31Å; V177-R181 WeakPolarHBondContact O-CB 3.17Å; V177-R181 PolarHBondContact O-N 2.88Å; L178-R181 PolarHBondContact O-N 3.42Å; A179-R181 PolarHBondContact O-N 3.1Å; R181-M215 HydrophobicContact CB-CE 4.4Å; R181-M215 HydrophobicContact CB-SD 3.83Å
182	V	98.1	Very high	97.6	Very high	22 Å²	22	19.8 Å²	19.8	13%	0.133	11%	0.106	C	C	.	.	H	α-helix	trans	-119.6	-17.3	-171	-58.7	0	0	0	0	115	L151 E156 L159 A179	L151-V182 HydrophobicContact CD1-CG1 3.49Å; L151-V182 VanDerWaalsContact CD1-CG1 3.49Å; L151-V182 HydrophobicContact CD2-CG1 3.76Å; L151-V182 HydrophobicContact CD2-CG2 4.36Å; L151-V182 HydrophobicContact CG-CG1 4.21Å; E156-V182 HydrophobicContact CB-CG1 4.42Å; E156-V182 HydrophobicContact CG-CB 4.5Å; E156-V182 HydrophobicContact CG-CG1 3.93Å; L159-V182 HydrophobicContact CB-CG2 3.98Å; L159-V182 HydrophobicContact CD1-CG2 4.04Å; A179-V182 PolarHBondContact O-N 3.33Å
183	L	97.8	Very high	97.4	Very high	9 Å²	9	22.5 Å²	22.5	5%	0.047	12%	0.119	C	C	.	.	S	Bend	trans	-104.4	133.7	-179.7	-55.1	-174.7	0	0	0	110.5	H163 I169 A179 I186 V235	H163-L183 HydrophobicContact CB-CD1 4.03Å; H163-L183 HydrophobicContact CB-CD2 3.63Å; H163-L183 HydrophobicContact CB-CG 4.49Å; I169-L183 HydrophobicContact CD1-CD1 3.87Å; A179-L183 HydrophobicContact CB-CD1 4.08Å; A179-L183 WeakPolarHBondContact O-CB 3.43Å; A179-L183 PolarHBondContact O-N 2.93Å; L183-I186 HydrophobicContact CB-CD1 4.49Å; L183-I186 HydrophobicContact CB-CG2 3.63Å; L183-I186 HydrophobicContact CD1-CG2 4.4Å; L183-V235 HydrophobicContact CD1-CG2 4.28Å
184	P	91.4	Very high	97.1	Very high	86 Å²	86	31.8 Å²	31.8	56%	0.558	15%	0.154	S	C	*	.	S	Bend	trans	-79.1	137.5	-177.8	31.4	-33.9	0	0	0	111.5	I186	P184-I186 PolarHBondContact O-N 2.8Å
185	S	92.5	Very high	96.6	Very high	93 Å²	93	36.8 Å²	36.8	65%	0.65	18%	0.181	S	C	*	.	S	Bend	trans	53.6	50.2	166.3	-53	0	0	0	0	113.8	N233	S185-N233 PolarHBondContact O-ND2 3.46Å
186	I	98.3	Very high	96	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.2	C	C	.	.			trans	-95.2	158.9	175	68.8	171.2	0	0	0	111.6	A179 C180 L183 P184 V188 A217 R218 D230 N233 V235	A179-I186 HydrophobicContact CB-CD1 3.71Å; C180-I186 HydrophobicContact CB-CD1 4.43Å; L183-I186 HydrophobicContact CB-CD1 4.49Å; L183-I186 HydrophobicContact CB-CG2 3.63Å; L183-I186 HydrophobicContact CD1-CG2 4.4Å; P184-I186 PolarHBondContact O-N 2.8Å; I186-V188 HydrophobicContact CD1-CG1 3.8Å; I186-V188 HydrophobicContact CG1-CG1 4.22Å; I186-A217 HydrophobicContact CG1-CB 4.23Å; I186-A217 WeakPolarHBondContact O-CA 3.24Å; I186-R218 PolarHBondContact O-N 3.26Å; I186-D230 WeakPolarHBondContact CA-OD2 3.34Å; I186-N233 HydrophobicContact CG2-CB 4.07Å; I186-V235 HydrophobicContact CG2-CG2 4.38Å
187	E	98.7	Very high	95.5	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.3	173.3	-46	-175.4	154.9	0	0	109.9	R218 Y228 D230	E187-R218 VanDerWaalsContact CA-O 3.26Å; E187-R218 WeakPolarHBondContact CA-O 3.44Å; E187-R218 HydrophobicContact CB-CB 4.45Å; E187-R218 VanDerWaalsContact CD-CZ 3.45Å; E187-R218 VanDerWaalsContact CD-NE 3.25Å; E187-R218 HydrophobicContact CG-CB 4.12Å; E187-R218 IonicContact OE1-CZ 3.54Å; E187-R218 IonicContact OE1-NE 3.79Å; E187-R218 PolarHBondContact OE1-NE 3.12Å; E187-R218 IonicContact OE1-NH2 2.72Å; E187-R218 PolarHBondContact OE1-NH2 3.25Å; E187-R218 IonicContact OE2-CZ 3.9Å; E187-R218 IonicContact OE2-NE 3.31Å; E187-R218 IonicContact OE2-NH2 3.72Å; E187-R218 PolarHBondContact OE2-NH2 3Å; E187-Y228 HydrophobicContact CB-CD1 4.43Å; E187-Y228 HydrophobicContact CB-CE1 3.61Å; E187-Y228 PolarHBondContact OE2-OH 3.45Å; E187-D230 HydrophobicContact CB-CB 4.05Å; E187-D230 PolarHBondContact N-OD2 3.28Å
188	V	98.8	Very high	94.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.4	-176.8	-62.1	0	0	0	0	111.2	P176 I186 A217 R218 H219 V220 V235 S237	P176-V188 HydrophobicContact CB-CB 4.16Å; P176-V188 HydrophobicContact CB-CG1 4.26Å; P176-V188 HydrophobicContact CB-CG2 4.25Å; I186-V188 HydrophobicContact CD1-CG1 3.8Å; I186-V188 HydrophobicContact CG1-CG1 4.22Å; V188-A217 HydrophobicContact CG2-CB 4.41Å; V188-R218 PolarHBondContact N-O 3.46Å; V188-H219 CarbonylContact O-C 3.52Å; V188-H219 VanDerWaalsContact O-CA 3.29Å; V188-H219 WeakPolarHBondContact O-CA 3.37Å; V188-V220 PolarHBondContact O-N 2.87Å; V188-V235 HydrophobicContact CG1-CG1 4.12Å; V188-S237 WeakPolarHBondContact CA-OG 3.37Å
189	T	98.6	Very high	94.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.285	C	S	.	.			trans	-115	141.3	162	-169.9	0	0	0	0	110	G191 V220 R222 S237 P239	T189-G191 PolarHBondContact OG1-N 3.45Å; T189-V220 WeakPolarHBondContact CA-O 3.33Å; T189-V220 WeakPolarHBondContact CB-O 3.41Å; T189-V220 PolarHBondContact OG1-O 2.84Å; T189-R222 HydrophobicContact CG2-CB 4.09Å; T189-R222 HydrophobicContact CG2-CG 3.95Å; T189-R222 WeakPolarHBondContact OG1-CB 3.24Å; T189-S237 WeakPolarHBondContact CG2-O 3.17Å; T189-S237 PolarHBondContact N-OG 3.39Å; T189-S237 WeakPolarHBondContact O-CB 3.38Å; T189-P239 HydrophobicContact CG2-CG 4.04Å
190	M	98	Very high	93.9	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.305	C	S	.	.			trans	-128.9	13.6	168.1	-68.4	-175.6	81.6	0	0	110.4	P176 V177 M208 V209 V212 H219 M242	P176-M190 HydrophobicContact CB-CG 3.79Å; P176-M190 HydrophobicContact CB-SD 4.02Å; P176-M190 HydrophobicContact CG-CG 3.84Å; V177-M190 HydrophobicContact CG2-CE 3.97Å; M190-M208 HydrophobicContact CE-CB 4.24Å; M190-M208 HydrophobicContact CE-CE 4.29Å; M190-V209 HydrophobicContact CB-CG2 3.95Å; M190-V212 HydrophobicContact SD-CB 4.44Å; M190-V212 HydrophobicContact SD-CG1 3.8Å; M190-V212 HydrophobicContact SD-CG2 3.79Å; M190-H219 PolarHBondContact N-CD2 3.25Å; M190-H219 PolarHBondContact N-NE2 3.06Å; M190-M242 HydrophobicContact CB-CE 4.25Å; M190-M242 HydrophobicContact CE-CE 3.78Å; M190-M242 HydrophobicContact CE-SD 4.09Å; M190-M242 WeakPolarHBondContact O-CB 3.18Å; M190-M242 WeakPolarHBondContact O-CG 3.44Å
191	G	96.7	Very high	93.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	102.3	-132.4	-179.2	0	0	0	0	0	113.3	T189 H219 V221	T189-G191 PolarHBondContact OG1-N 3.45Å; G191-H219 PolarHBondContact O-CE1 2.84Å; G191-H219 PolarHBondContact O-NE2 3.27Å; G191-V221 WeakPolarHBondContact O-CA 3.37Å
192	Y	96.1	Very high	93.5	Very high	49 Å²	49	60.7 Å²	60.7	19%	0.192	30%	0.302	C	S	.	.			trans	-91.8	152.6	-174.9	-81.1	38.7	0	0	0	112	E196 W203 T206 V221 E223	Y192-E196 HydrophobicContact CD2-CB 4.28Å; Y192-E196 WeakPolarHBondContact CD2-OE2 3.18Å; Y192-E196 WeakPolarHBondContact CE2-OE2 3.22Å; Y192-W203 HydrophobicContact CD1-CD2 4.25Å; Y192-W203 AromaticContact CD1-CE2 3.52Å; Y192-W203 HydrophobicContact CD1-CH2 4.25Å; Y192-W203 AromaticContact CD1-CZ2 3.51Å; Y192-W203 HydrophobicContact CD1-CZ2 3.51Å; Y192-W203 AromaticContact CD1-NE1 3.65Å; Y192-W203 AromaticContact CD2-CD1 3.89Å; Y192-W203 AromaticContact CD2-NE1 3.72Å; Y192-W203 AromaticContact CE1-CZ2 3.91Å; Y192-W203 HydrophobicContact CE1-CZ2 3.91Å; Y192-W203 AromaticContact CG-CD1 3.77Å; Y192-W203 HydrophobicContact CG-CD2 4.1Å; Y192-W203 AromaticContact CG-CE2 3.68Å; Y192-W203 HydrophobicContact CG-CG 4.12Å; Y192-W203 HydrophobicContact CG-CZ2 4.17Å; Y192-W203 AromaticContact CG-NE1 3.48Å; Y192-T206 WeakPolarHBondContact O-CG2 3.49Å; Y192-V221 HydrophobicContact CD1-CG1 3.55Å; Y192-V221 HydrophobicContact CE1-CG1 3.66Å; Y192-V221 HydrophobicContact CG-CG1 4.18Å; Y192-E223 PolarHBondContact OH-OE1 3.17Å
193	E	94.6	Very high	93.3	Very high	58 Å²	58	60 Å²	60	27%	0.271	30%	0.297	S	S	.	.	S	Bend	trans	-92.7	-7.5	-179.1	-54.7	-156.2	168.2	0	0	114.1	V209 Q210 K213 H219 V221	E193-V209 HydrophobicContact CG-CG1 4Å; E193-Q210 PolarHBondContact O-NE2 3.13Å; E193-K213 IonicContact OE1-NZ 3.16Å; E193-K213 IonicContact OE2-NZ 3.24Å; E193-K213 PolarHBondContact OE2-NZ 2.91Å; E193-H219 IonicContact OE1-CE1 3.51Å; E193-H219 IonicContact OE1-CG 3.48Å; E193-H219 IonicContact OE1-ND1 3.4Å; E193-H219 PolarHBondContact OE1-ND1 2.84Å; E193-V221 HydrophobicContact CG-CG2 3.9Å
194	R	91.3	Very high	93.1	Very high	194 Å²	194	61.4 Å²	61.4	73%	0.732	31%	0.306	S	S	*	.	S	Bend	trans	-129.6	147.8	179.7	-65.3	-176.6	-68.3	-163.1	-0.5	109.1	E196 T206	R194-E196 PolarHBondContact O-N 3.27Å; R194-T206 WeakPolarHBondContact O-CG2 3.4Å
195	D	88.2	Confident	93.2	Very high	105 Å²	105	59 Å²	59	56%	0.561	29%	0.288	S	S	*	.			trans	-66.6	106.9	172.5	-170.1	-13.3	0	0	0	107.7
196	E	86.6	Confident	93.2	Very high	86 Å²	86	55.9 Å²	55.9	40%	0.402	26%	0.264	S	S	.	.			trans	-125.2	118.9	179.3	-173.9	166.9	177.4	0	0	107.5	Y192 R194 N202 W203	Y192-E196 HydrophobicContact CD2-CB 4.28Å; Y192-E196 WeakPolarHBondContact CD2-OE2 3.18Å; Y192-E196 WeakPolarHBondContact CE2-OE2 3.22Å; R194-E196 PolarHBondContact O-N 3.27Å; E196-N202 WeakPolarHBondContact O-CA 3.49Å; E196-W203 PolarHBondContact O-N 3.1Å
197	S	87.8	Confident	93.1	Very high	91 Å²	91	60.7 Å²	60.7	64%	0.636	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.3	176.2	-68.3	0	0	0	0	109	N202	S197-N202 WeakPolarHBondContact OG-CB 3.4Å
198	T	85	Confident	92.9	Very high	65 Å²	65	58.8 Å²	58.8	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	171.4	173.1	73.7	0	0	0	0	109.6	W200 G201	T198-W200 PolarHBondContact O-N 3.38Å; T198-W200 PolarHBondContact OG1-N 3.32Å; T198-G201 PolarHBondContact N-O 2.89Å; T198-G201 PolarHBondContact O-N 3Å; T198-G201 PolarHBondContact OG1-N 2.85Å; T198-G201 PolarHBondContact OG1-O 2.84Å
199	R	87.3	Confident	92.8	Very high	200 Å²	200	58.8 Å²	58.8	76%	0.755	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.6	173.2	66.6	173	-66.4	-172.3	3.4	114.6
200	W	89.1	Confident	92.7	Very high	111 Å²	111	62.9 Å²	62.9	42%	0.42	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-11.3	-172	-56.8	131.1	0	0	0	113.9	T198 W243 T245 H248	T198-W200 PolarHBondContact O-N 3.38Å; T198-W200 PolarHBondContact OG1-N 3.32Å; W200-W243 VanDerWaalsContact C-CZ2 3.43Å; W200-W243 HydrophobicContact CB-CH2 4.03Å; W200-W243 HydrophobicContact CB-CZ2 3.74Å; W200-W243 WeakPolarHBondContact O-CH2 3.48Å; W200-W243 VanDerWaalsContact O-CZ2 3.24Å; W200-W243 WeakPolarHBondContact O-CZ2 3.16Å; W200-T245 WeakPolarHBondContact O-CB 3.33Å; W200-T245 PolarHBondContact O-OG1 2.73Å; W200-H248 AromaticContact CD2-CE1 3.98Å; W200-H248 AromaticContact CD2-NE2 3.69Å; W200-H248 AromaticContact CE3-CE1 3.56Å; W200-H248 AromaticContact CE3-NE2 3.04Å; W200-H248 AromaticContact CZ3-CE1 3.85Å; W200-H248 AromaticContact CZ3-NE2 3.6Å
201	G	92.7	Very high	92.7	Very high	9 Å²	9	63.6 Å²	63.6	9%	0.093	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	173.3	-176.8	0	0	0	0	0	112.8	T198 W243 E244	T198-G201 PolarHBondContact N-O 2.89Å; T198-G201 PolarHBondContact O-N 3Å; T198-G201 PolarHBondContact OG1-N 2.85Å; T198-G201 PolarHBondContact OG1-O 2.84Å; G201-W243 VanDerWaalsContact C-NE1 3.29Å; G201-E244 CarbonylContact C-O 3.44Å; G201-E244 WeakPolarHBondContact CA-O 3.4Å
202	N	95.3	Very high	92.7	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	166.2	-174.6	62.3	-62.6	0	0	0	112.3	E196 S197 P204 W243 E244	E196-N202 WeakPolarHBondContact O-CA 3.49Å; S197-N202 WeakPolarHBondContact OG-CB 3.4Å; N202-P204 VanDerWaalsContact C-CD 3.5Å; N202-P204 VanDerWaalsContact O-CD 3.23Å; N202-P204 WeakPolarHBondContact O-CD 3.42Å; N202-W243 CarbonylContact O-C 3.56Å; N202-W243 WeakPolarHBondContact O-CA 3.36Å; N202-E244 PolarHBondContact N-O 3.44Å; N202-E244 PolarHBondContact O-N 3Å
203	W	95.7	Very high	92.7	Very high	7 Å²	7	64.9 Å²	64.9	3%	0.027	31%	0.314	C	S	.	.			trans	-116.8	76.3	-176.7	-64.6	101.1	0	0	0	112.2	Y192 E196 Q205 T206 P224 P239 M242 W243	Y192-W203 HydrophobicContact CD1-CD2 4.25Å; Y192-W203 AromaticContact CD1-CE2 3.52Å; Y192-W203 HydrophobicContact CD1-CH2 4.25Å; Y192-W203 AromaticContact CD1-CZ2 3.51Å; Y192-W203 HydrophobicContact CD1-CZ2 3.51Å; Y192-W203 AromaticContact CD1-NE1 3.65Å; Y192-W203 AromaticContact CD2-CD1 3.89Å; Y192-W203 AromaticContact CD2-NE1 3.72Å; Y192-W203 AromaticContact CE1-CZ2 3.91Å; Y192-W203 HydrophobicContact CE1-CZ2 3.91Å; Y192-W203 AromaticContact CG-CD1 3.77Å; Y192-W203 HydrophobicContact CG-CD2 4.1Å; Y192-W203 AromaticContact CG-CE2 3.68Å; Y192-W203 HydrophobicContact CG-CG 4.12Å; Y192-W203 HydrophobicContact CG-CZ2 4.17Å; Y192-W203 AromaticContact CG-NE1 3.48Å; E196-W203 PolarHBondContact O-N 3.1Å; W203-Q205 PolarHBondContact O-N 3.43Å; W203-T206 HydrophobicContact CB-CG2 4.26Å; W203-T206 WeakPolarHBondContact O-CG2 3.45Å; W203-P224 HydrophobicContact CH2-CG 3.87Å; W203-P224 HydrophobicContact CZ2-CG 3.72Å; W203-P239 HydrophobicContact CH2-CB 3.71Å; W203-P239 HydrophobicContact CH2-CG 4.37Å; W203-P239 HydrophobicContact CZ3-CB 3.74Å; W203-M242 HydrophobicContact CE3-CB 4.3Å; W203-M242 HydrophobicContact CZ3-CB 4.03Å; W203-W243 HydrophobicContact CD2-CB 4.1Å; W203-W243 AromaticContact CD2-CD1 3.79Å; W203-W243 HydrophobicContact CD2-CG 4.34Å; W203-W243 AromaticContact CE2-CD1 3.47Å; W203-W243 VanDerWaalsContact CE2-CD1 3.47Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 HydrophobicContact CH2-CB 3.65Å; W203-W243 HydrophobicContact CH2-CG 4.26Å; W203-W243 HydrophobicContact CZ2-CB 3.93Å; W203-W243 AromaticContact CZ2-CD1 3.86Å; W203-W243 HydrophobicContact CZ2-CG 4.05Å; W203-W243 HydrophobicContact CZ3-CB 3.55Å; W203-W243 HydrophobicContact CZ3-CG 4.46Å; W203-W243 AromaticContact NE1-CD1 3.58Å
204	P	93.5	Very high	92.8	Very high	39 Å²	39	64.8 Å²	64.8	25%	0.253	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.9	-170.4	25.8	-29.2	0	0	0	114.2	N202 T206 E244	N202-P204 VanDerWaalsContact C-CD 3.5Å; N202-P204 VanDerWaalsContact O-CD 3.23Å; N202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-T206 PolarHBondContact O-N 3.08Å; P204-E244 HydrophobicContact CG-CB 4.36Å; P204-E244 HydrophobicContact CG-CG 3.68Å; P204-E244 WeakPolarHBondContact CG-OE1 3.24Å
205	Q	92.1	Very high	93.1	Very high	36 Å²	36	57.3 Å²	57.3	17%	0.168	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	32.9	-169	-59.9	-69.8	17.8	0	0	113.8	M174 W203 N207 M208 M242	M174-Q205 HydrophobicContact CE-CG 4.24Å; W203-Q205 PolarHBondContact O-N 3.43Å; Q205-N207 VanDerWaalsContact C-N 3.27Å; Q205-N207 PolarHBondContact O-N 3.19Å; Q205-N207 PolarHBondContact O-OD1 2.83Å; Q205-M208 HydrophobicContact CB-CG 4.49Å; Q205-M208 HydrophobicContact CB-SD 4.25Å; Q205-M208 WeakPolarHBondContact O-CB 3.46Å; Q205-M208 PolarHBondContact O-N 3.44Å; Q205-M208 VanDerWaalsContact O-N 3.15Å; Q205-M242 HydrophobicContact CB-CE 3.36Å; Q205-M242 HydrophobicContact CB-SD 4.02Å; Q205-M242 HydrophobicContact CG-CE 4.39Å; Q205-M242 HydrophobicContact CG-SD 4.47Å
206	T	93.6	Very high	93.4	Very high	26 Å²	26	54.9 Å²	54.9	16%	0.16	30%	0.302	C	S	.	.	H	α-helix	trans	-70.3	-22	-174.8	58.5	0	0	0	0	113.4	Y192 R194 W203 P204 M208 V209 Q210	Y192-T206 WeakPolarHBondContact O-CG2 3.49Å; R194-T206 WeakPolarHBondContact O-CG2 3.4Å; W203-T206 HydrophobicContact CB-CG2 4.26Å; W203-T206 WeakPolarHBondContact O-CG2 3.45Å; P204-T206 PolarHBondContact O-N 3.08Å; T206-M208 VanDerWaalsContact C-N 3.29Å; T206-M208 PolarHBondContact O-N 3.23Å; T206-V209 WeakPolarHBondContact O-CB 2.92Å; T206-V209 PolarHBondContact O-N 3.29Å; T206-Q210 PolarHBondContact O-N 2.97Å
207	N	94.8	Very high	93.9	Very high	104 Å²	104	51.3 Å²	51.3	56%	0.556	29%	0.287	S	S	*	.	H	α-helix	trans	-60.1	-36.9	169.9	62.1	-21.9	0	0	0	112.4	Q205 V209 Q210 A211	Q205-N207 VanDerWaalsContact C-N 3.27Å; Q205-N207 PolarHBondContact O-N 3.19Å; Q205-N207 PolarHBondContact O-OD1 2.83Å; N207-V209 VanDerWaalsContact C-N 3.29Å; N207-V209 PolarHBondContact O-N 3.04Å; N207-Q210 PolarHBondContact O-N 2.87Å; N207-A211 PolarHBondContact O-N 3.24Å
208	M	95.9	Very high	94.4	Very high	8 Å²	8	53 Å²	53	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-36.9	176	-61.4	-173.6	64.3	0	0	111.2	V136 F142 M174 V177 M190 Q205 T206 Q210 A211 V212 M242	V136-M208 HydrophobicContact CG1-CE 3.47Å; V136-M208 VanDerWaalsContact CG1-CE 3.47Å; F142-M208 HydrophobicContact CD1-CE 4.2Å; F142-M208 HydrophobicContact CE1-CE 3.78Å; F142-M208 HydrophobicContact CE1-CG 3.88Å; F142-M208 HydrophobicContact CE1-SD 4.38Å; F142-M208 HydrophobicContact CZ-CB 4.32Å; F142-M208 HydrophobicContact CZ-CE 4.26Å; F142-M208 HydrophobicContact CZ-CG 4.12Å; M174-M208 HydrophobicContact CB-CE 4.02Å; M174-M208 HydrophobicContact CE-SD 4.23Å; M174-M208 HydrophobicContact CG-CE 3.89Å; M174-M208 HydrophobicContact CG-SD 4.16Å; M174-M208 HydrophobicContact SD-CE 4.25Å; M174-M208 HydrophobicContact SD-SD 4.28Å; V177-M208 HydrophobicContact CG2-CE 3.61Å; M190-M208 HydrophobicContact CE-CB 4.24Å; M190-M208 HydrophobicContact CE-CE 4.29Å; Q205-M208 HydrophobicContact CB-CG 4.49Å; Q205-M208 HydrophobicContact CB-SD 4.25Å; Q205-M208 WeakPolarHBondContact O-CB 3.46Å; Q205-M208 PolarHBondContact O-N 3.44Å; Q205-M208 VanDerWaalsContact O-N 3.15Å; T206-M208 VanDerWaalsContact C-N 3.29Å; T206-M208 PolarHBondContact O-N 3.23Å; M208-Q210 VanDerWaalsContact C-N 3.35Å; M208-Q210 PolarHBondContact O-N 3.18Å; M208-A211 WeakPolarHBondContact O-CB 3.47Å; M208-A211 PolarHBondContact O-N 3.21Å; M208-A211 VanDerWaalsContact O-N 3.17Å; M208-V212 PolarHBondContact O-N 3Å; M208-M242 HydrophobicContact CB-CE 4.32Å; M208-M242 HydrophobicContact SD-CE 4.49Å
209	V	96.8	Very high	95.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-43.4	175.9	-174.8	0	0	0	0	111	M190 E193 T206 N207 A211 V212 K213 H219	M190-V209 HydrophobicContact CB-CG2 3.95Å; E193-V209 HydrophobicContact CG-CG1 4Å; T206-V209 WeakPolarHBondContact O-CB 2.92Å; T206-V209 PolarHBondContact O-N 3.29Å; N207-V209 VanDerWaalsContact C-N 3.29Å; N207-V209 PolarHBondContact O-N 3.04Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 2.87Å; V209-V212 WeakPolarHBondContact O-CG2 3.23Å; V209-V212 PolarHBondContact O-N 3Å; V209-K213 HydrophobicContact CG1-CD 4.45Å; V209-K213 WeakPolarHBondContact O-CG 3.21Å; V209-K213 PolarHBondContact O-N 3.11Å; V209-H219 HydrophobicContact CG1-CB 4.24Å; V209-H219 VanDerWaalsContact CG1-CE1 3.42Å; V209-H219 WeakPolarHBondContact CG1-CE1 3.5Å; V209-H219 VanDerWaalsContact CG1-CG 3.48Å; V209-H219 WeakPolarHBondContact CG1-ND1 3.4Å
210	Q	96.8	Very high	95.6	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-66.6	-36.6	174.6	-57.1	-50.9	-33.9	0	0	112.1	E193 T206 N207 M208 K213 G214	E193-Q210 PolarHBondContact O-NE2 3.13Å; T206-Q210 PolarHBondContact O-N 2.97Å; N207-Q210 PolarHBondContact O-N 2.87Å; M208-Q210 VanDerWaalsContact C-N 3.35Å; M208-Q210 PolarHBondContact O-N 3.18Å; Q210-K213 PolarHBondContact O-N 3.19Å; Q210-G214 PolarHBondContact O-N 3.36Å
211	A	96.9	Very high	96	Very high	17 Å²	17	39.8 Å²	39.8	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-44.7	177	0	0	0	0	0	112.2	F142 K147 N207 M208 V209 K213 G214 M215	F142-A211 HydrophobicContact CE2-CB 3.85Å; F142-A211 HydrophobicContact CZ-CB 3.75Å; K147-A211 HydrophobicContact CB-CB 4.39Å; N207-A211 PolarHBondContact O-N 3.24Å; M208-A211 WeakPolarHBondContact O-CB 3.47Å; M208-A211 PolarHBondContact O-N 3.21Å; M208-A211 VanDerWaalsContact O-N 3.17Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 2.87Å; A211-K213 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 3.08Å; A211-G214 CarbonylContact O-C 3.48Å; A211-G214 WeakPolarHBondContact O-CA 3.47Å; A211-G214 PolarHBondContact O-N 2.62Å; A211-G214 VanDerWaalsContact O-N 3.09Å; A211-M215 WeakPolarHBondContact O-CG 3.5Å; A211-M215 PolarHBondContact O-N 3.31Å
212	V	96.9	Very high	96.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-32.8	178.5	-62.1	0	0	0	0	112.7	V177 C180 M190 M208 V209 G214 M215 G216 A217	V177-V212 HydrophobicContact CG2-CG1 3.9Å; C180-V212 HydrophobicContact CB-CB 4.06Å; C180-V212 HydrophobicContact CB-CG1 4.11Å; M190-V212 HydrophobicContact SD-CB 4.44Å; M190-V212 HydrophobicContact SD-CG1 3.8Å; M190-V212 HydrophobicContact SD-CG2 3.79Å; M208-V212 PolarHBondContact O-N 3Å; V209-V212 WeakPolarHBondContact O-CG2 3.23Å; V209-V212 PolarHBondContact O-N 3Å; V212-G214 VanDerWaalsContact C-N 3.3Å; V212-M215 HydrophobicContact CG1-SD 4.49Å; V212-M215 WeakPolarHBondContact O-CB 3.44Å; V212-M215 PolarHBondContact O-N 3.13Å; V212-M215 VanDerWaalsContact O-N 3.14Å; V212-G216 PolarHBondContact O-N 3.21Å; V212-A217 WeakPolarHBondContact O-CB 3.41Å; V212-A217 PolarHBondContact O-N 3.05Å
213	K	96.8	Very high	96.3	Very high	76 Å²	76	43.9 Å²	43.9	33%	0.33	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-41.5	168.6	-69.3	166.9	69.5	-175.8	0	110.8	E193 V209 Q210 A211 M215 G216 H219	E193-K213 IonicContact OE1-NZ 3.16Å; E193-K213 IonicContact OE2-NZ 3.24Å; E193-K213 PolarHBondContact OE2-NZ 2.91Å; V209-K213 HydrophobicContact CG1-CD 4.45Å; V209-K213 WeakPolarHBondContact O-CG 3.21Å; V209-K213 PolarHBondContact O-N 3.11Å; Q210-K213 PolarHBondContact O-N 3.19Å; A211-K213 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 3.08Å; K213-M215 PolarHBondContact O-N 3.18Å; K213-G216 WeakPolarHBondContact O-CA 3.47Å; K213-G216 PolarHBondContact O-N 3.41Å; K213-H219 HydrophobicContact CD-CB 4.02Å; K213-H219 HydrophobicContact CG-CB 3.79Å
214	G	96.2	Very high	96.3	Very high	55 Å²	55	43.7 Å²	43.7	57%	0.567	24%	0.243	S	C	*	.	H	α-helix	trans	-65.1	-21.7	173.3	0	0	0	0	0	114.6	Q210 A211 V212 G216	Q210-G214 PolarHBondContact O-N 3.36Å; A211-G214 CarbonylContact O-C 3.48Å; A211-G214 WeakPolarHBondContact O-CA 3.47Å; A211-G214 PolarHBondContact O-N 2.62Å; A211-G214 VanDerWaalsContact O-N 3.09Å; V212-G214 VanDerWaalsContact C-N 3.3Å; G214-G216 VanDerWaalsContact C-N 3.25Å
215	M	96.8	Very high	96.4	Very high	37 Å²	37	46.3 Å²	46.3	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.5	169.6	-62.6	175.5	-175.2	0	0	112.9	F142 K147 V177 C180 R181 A211 V212 K213	F142-M215 HydrophobicContact CD2-CE 3.81Å; F142-M215 HydrophobicContact CE2-CE 3.73Å; K147-M215 HydrophobicContact CB-CE 4.38Å; K147-M215 HydrophobicContact CB-CG 4.21Å; K147-M215 WeakPolarHBondContact O-CE 3.37Å; V177-M215 HydrophobicContact CG1-CE 4.32Å; C180-M215 HydrophobicContact CB-CB 4.48Å; C180-M215 HydrophobicContact CB-SD 4.05Å; R181-M215 HydrophobicContact CB-CE 4.4Å; R181-M215 HydrophobicContact CB-SD 3.83Å; A211-M215 WeakPolarHBondContact O-CG 3.5Å; A211-M215 PolarHBondContact O-N 3.31Å; V212-M215 HydrophobicContact CG1-SD 4.49Å; V212-M215 WeakPolarHBondContact O-CB 3.44Å; V212-M215 PolarHBondContact O-N 3.13Å; V212-M215 VanDerWaalsContact O-N 3.14Å; K213-M215 PolarHBondContact O-N 3.18Å
216	G	95.6	Very high	96.6	Very high	55 Å²	55	47.7 Å²	47.7	57%	0.567	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	9.7	178.2	0	0	0	0	0	115	V212 K213 G214	V212-G216 PolarHBondContact O-N 3.21Å; K213-G216 WeakPolarHBondContact O-CA 3.47Å; K213-G216 PolarHBondContact O-N 3.41Å; G214-G216 VanDerWaalsContact C-N 3.25Å
217	A	97.4	Very high	96.9	Very high	10 Å²	10	47.2 Å²	47.2	8%	0.083	25%	0.254	C	S	.	.			trans	-80.2	146.8	173.6	0	0	0	0	0	111.6	C180 I186 V188 V212	C180-A217 HydrophobicContact CB-CB 4.02Å; C180-A217 WeakPolarHBondContact SG-CB 3.35Å; I186-A217 HydrophobicContact CG1-CB 4.23Å; I186-A217 WeakPolarHBondContact O-CA 3.24Å; V188-A217 HydrophobicContact CG2-CB 4.41Å; V212-A217 WeakPolarHBondContact O-CB 3.41Å; V212-A217 PolarHBondContact O-N 3.05Å
218	R	98.3	Very high	97	Very high	127 Å²	127	43.7 Å²	43.7	48%	0.479	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.5	168.7	-172.6	170.4	78.2	89.5	-8.4	109.1	I186 E187 V188 Y228	I186-R218 PolarHBondContact O-N 3.26Å; E187-R218 VanDerWaalsContact CA-O 3.26Å; E187-R218 WeakPolarHBondContact CA-O 3.44Å; E187-R218 HydrophobicContact CB-CB 4.45Å; E187-R218 VanDerWaalsContact CD-CZ 3.45Å; E187-R218 VanDerWaalsContact CD-NE 3.25Å; E187-R218 HydrophobicContact CG-CB 4.12Å; E187-R218 IonicContact OE1-CZ 3.54Å; E187-R218 IonicContact OE1-NE 3.79Å; E187-R218 PolarHBondContact OE1-NE 3.12Å; E187-R218 IonicContact OE1-NH2 2.72Å; E187-R218 PolarHBondContact OE1-NH2 3.25Å; E187-R218 IonicContact OE2-CZ 3.9Å; E187-R218 IonicContact OE2-NE 3.31Å; E187-R218 IonicContact OE2-NH2 3.72Å; E187-R218 PolarHBondContact OE2-NH2 3Å; V188-R218 PolarHBondContact N-O 3.46Å; R218-Y228 PolarHBondContact NH2-OH 3.48Å
219	H	98.4	Very high	97.2	Very high	17 Å²	17	44.6 Å²	44.6	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.3	175.5	-180	-103.2	0	0	0	111.4	V188 M190 G191 E193 V209 K213	V188-H219 CarbonylContact O-C 3.52Å; V188-H219 VanDerWaalsContact O-CA 3.29Å; V188-H219 WeakPolarHBondContact O-CA 3.37Å; M190-H219 PolarHBondContact N-CD2 3.25Å; M190-H219 PolarHBondContact N-NE2 3.06Å; G191-H219 PolarHBondContact O-CE1 2.84Å; G191-H219 PolarHBondContact O-NE2 3.27Å; E193-H219 IonicContact OE1-CE1 3.51Å; E193-H219 IonicContact OE1-CG 3.48Å; E193-H219 IonicContact OE1-ND1 3.4Å; E193-H219 PolarHBondContact OE1-ND1 2.84Å; V209-H219 HydrophobicContact CG1-CB 4.24Å; V209-H219 VanDerWaalsContact CG1-CE1 3.42Å; V209-H219 WeakPolarHBondContact CG1-CE1 3.5Å; V209-H219 VanDerWaalsContact CG1-CG 3.48Å; V209-H219 WeakPolarHBondContact CG1-ND1 3.4Å; K213-H219 HydrophobicContact CD-CB 4.02Å; K213-H219 HydrophobicContact CG-CB 3.79Å
220	V	98.3	Very high	97.3	Very high	21 Å²	21	44.8 Å²	44.8	13%	0.127	24%	0.24	C	C	.	.			trans	-126.6	124	175.7	-176.8	0	0	0	0	109.4	V188 T189 Y228	V188-V220 PolarHBondContact O-N 2.87Å; T189-V220 WeakPolarHBondContact CA-O 3.33Å; T189-V220 WeakPolarHBondContact CB-O 3.41Å; T189-V220 PolarHBondContact OG1-O 2.84Å; V220-Y228 HydrophobicContact CB-CD2 3.79Å; V220-Y228 HydrophobicContact CB-CE2 3.79Å; V220-Y228 HydrophobicContact CB-CG 4.28Å; V220-Y228 HydrophobicContact CG1-CD2 3.71Å; V220-Y228 HydrophobicContact CG1-CE2 3.64Å; V220-Y228 HydrophobicContact CG2-CD2 4.16Å; V220-Y228 HydrophobicContact CG2-CE1 4.21Å; V220-Y228 HydrophobicContact CG2-CE2 3.67Å
221	V	97.8	Very high	97.3	Very high	61 Å²	61	45.4 Å²	45.4	37%	0.37	24%	0.243	S	C	.	.			trans	-66.9	133.4	179.1	177.7	0	0	0	0	110.8	G191 Y192 E193	G191-V221 WeakPolarHBondContact O-CA 3.37Å; Y192-V221 HydrophobicContact CD1-CG1 3.55Å; Y192-V221 HydrophobicContact CE1-CG1 3.66Å; Y192-V221 HydrophobicContact CG-CG1 4.18Å; E193-V221 HydrophobicContact CG-CG2 3.9Å
222	R	97.6	Very high	97.3	Very high	80 Å²	80	51.7 Å²	51.7	30%	0.302	27%	0.267	S	S	.	.			trans	-143	153.9	176.5	-69.9	-64.8	179.3	-128	2.9	110.9	T189 E226 P239	T189-R222 HydrophobicContact CG2-CB 4.09Å; T189-R222 HydrophobicContact CG2-CG 3.95Å; T189-R222 WeakPolarHBondContact OG1-CB 3.24Å; R222-E226 HydrophobicContact CB-CB 4.04Å; R222-E226 VanDerWaalsContact CD-OE2 3.29Å; R222-E226 WeakPolarHBondContact CD-OE2 3.4Å; R222-E226 HydrophobicContact CG-CB 4.44Å; R222-P239 HydrophobicContact CB-CG 3.95Å
223	E	96.2	Very high	97.4	Very high	60 Å²	60	52.4 Å²	52.4	28%	0.28	27%	0.271	S	S	.	.			trans	-71.7	161	172.3	-65.6	-60	149.5	0	0	111.8	Y192 Y225 E226	Y192-E223 PolarHBondContact OH-OE1 3.17Å; E223-Y225 HydrophobicContact CB-CD1 4.05Å; E223-Y225 HydrophobicContact CB-CE1 3.59Å; E223-Y225 HydrophobicContact CB-CE2 4.17Å; E223-Y225 HydrophobicContact CG-CE1 4.13Å; E223-Y225 PolarHBondContact O-N 2.83Å; E223-Y225 VanDerWaalsContact O-N 3.13Å; E223-E226 HydrophobicContact CB-CG 4Å; E223-E226 PolarHBondContact N-OE2 2.91Å; E223-E226 PolarHBondContact O-N 2.87Å
224	P	95.1	Very high	97.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.019	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.4	-176.2	-22.7	33	0	0	0	114.6	W203 W243 I252	W203-P224 HydrophobicContact CH2-CG 3.87Å; W203-P224 HydrophobicContact CZ2-CG 3.72Å; P224-W243 HydrophobicContact CB-CB 4.04Å; P224-W243 HydrophobicContact CB-CD2 3.9Å; P224-W243 HydrophobicContact CB-CE3 3.54Å; P224-W243 HydrophobicContact CB-CG 4.15Å; P224-W243 HydrophobicContact CB-CZ3 4.22Å; P224-W243 HydrophobicContact CG-CB 3.71Å; P224-W243 HydrophobicContact CG-CD2 3.3Å; P224-W243 HydrophobicContact CG-CE3 3.45Å; P224-W243 VanDerWaalsContact CG-CE3 3.45Å; P224-W243 HydrophobicContact CG-CG 3.45Å; P224-W243 VanDerWaalsContact CG-CG 3.45Å; P224-W243 HydrophobicContact CG-CZ3 4.15Å; P224-I252 HydrophobicContact CB-CD1 4.38Å
225	Y	95.6	Very high	97.6	Very high	93 Å²	93	48.5 Å²	48.5	37%	0.365	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.5	-179.9	55.4	-92.9	0	0	0	114.2	E223 Y251 G255 N258	E223-Y225 HydrophobicContact CB-CD1 4.05Å; E223-Y225 HydrophobicContact CB-CE1 3.59Å; E223-Y225 HydrophobicContact CB-CE2 4.17Å; E223-Y225 HydrophobicContact CG-CE1 4.13Å; E223-Y225 PolarHBondContact O-N 2.83Å; E223-Y225 VanDerWaalsContact O-N 3.13Å; Y225-Y251 VanDerWaalsContact CA-O 3.25Å; Y225-Y251 WeakPolarHBondContact CA-O 3.26Å; Y225-Y251 WeakPolarHBondContact CB-O 3.31Å; Y225-Y251 AromaticContact CD1-CD1 3.4Å; Y225-Y251 HydrophobicContact CD1-CD1 3.4Å; Y225-Y251 VanDerWaalsContact CD1-CD1 3.4Å; Y225-Y251 AromaticContact CD1-CE1 3.86Å; Y225-Y251 HydrophobicContact CD1-CE1 3.86Å; Y225-Y251 AromaticContact CD1-CG 3.95Å; Y225-Y251 HydrophobicContact CD1-CG 3.95Å; Y225-Y251 HydrophobicContact CE1-CD1 4.24Å; Y225-Y251 HydrophobicContact CE1-CE1 4.27Å; Y225-Y251 AromaticContact CG-CD1 3.86Å; Y225-Y251 HydrophobicContact CG-CD1 3.86Å; Y225-Y251 HydrophobicContact CG-CE1 4.47Å; Y225-G255 VanDerWaalsContact C-CA 3.49Å; Y225-G255 WeakPolarHBondContact O-CA 3.36Å; Y225-G255 PolarHBondContact O-N 2.95Å; Y225-N258 PolarHBondContact O-ND2 3.41Å
226	E	97.7	Very high	97.7	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	23%	0.23	S	C	.	.			trans	-101.4	159.4	179.4	-68.9	-175.7	122.3	0	0	112	R222 E223 T238 P239	R222-E226 HydrophobicContact CB-CB 4.04Å; R222-E226 VanDerWaalsContact CD-OE2 3.29Å; R222-E226 WeakPolarHBondContact CD-OE2 3.4Å; R222-E226 HydrophobicContact CG-CB 4.44Å; E223-E226 HydrophobicContact CB-CG 4Å; E223-E226 PolarHBondContact N-OE2 2.91Å; E223-E226 PolarHBondContact O-N 2.87Å; E226-T238 PolarHBondContact O-OG1 3.18Å; E226-P239 VanDerWaalsContact O-CD 3.23Å; E226-P239 WeakPolarHBondContact O-CD 3.42Å
227	A	98.4	Very high	97.8	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	20%	0.203	C	C	.	.			trans	-121.9	154.4	167.5	0	0	0	0	0	110.3	V236 S237 N258 M259	A227-V236 HydrophobicContact CB-CG1 4.34Å; A227-S237 CarbonylContact C-O 3.51Å; A227-S237 VanDerWaalsContact CA-O 3.26Å; A227-S237 WeakPolarHBondContact CA-O 3.49Å; A227-N258 HydrophobicContact CB-CB 4.12Å; A227-M259 HydrophobicContact CB-CB 4.3Å
228	Y	98.8	Very high	97.9	Very high	30 Å²	30	43.7 Å²	43.7	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141	170	-170.9	-92.1	0	0	0	110.5	E187 R218 V220 V236 S237	E187-Y228 HydrophobicContact CB-CD1 4.43Å; E187-Y228 HydrophobicContact CB-CE1 3.61Å; E187-Y228 PolarHBondContact OE2-OH 3.45Å; R218-Y228 PolarHBondContact NH2-OH 3.48Å; V220-Y228 HydrophobicContact CB-CD2 3.79Å; V220-Y228 HydrophobicContact CB-CE2 3.79Å; V220-Y228 HydrophobicContact CB-CG 4.28Å; V220-Y228 HydrophobicContact CG1-CD2 3.71Å; V220-Y228 HydrophobicContact CG1-CE2 3.64Å; V220-Y228 HydrophobicContact CG2-CD2 4.16Å; V220-Y228 HydrophobicContact CG2-CE1 4.21Å; V220-Y228 HydrophobicContact CG2-CE2 3.67Å; Y228-V236 WeakPolarHBondContact O-CA 3.17Å; Y228-S237 PolarHBondContact N-O 2.95Å; Y228-S237 PolarHBondContact O-N 3.42Å
229	V	98.8	Very high	97.9	Very high	27 Å²	27	37.6 Å²	37.6	16%	0.164	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	113	180	-175.1	0	0	0	0	110	E231 V236 H262 L266	V229-E231 HydrophobicContact CG1-CG 4.04Å; V229-E231 PolarHBondContact O-N 3.38Å; V229-V236 HydrophobicContact CG1-CG2 4.33Å; V229-V236 HydrophobicContact CG2-CG1 4.24Å; V229-V236 HydrophobicContact CG2-CG2 4.35Å; V229-H262 HydrophobicContact CG2-CB 3.73Å; V229-H262 VanDerWaalsContact CG2-CG 3.47Å; V229-L266 HydrophobicContact CG1-CD1 3.82Å
230	D	98.6	Very high	97.8	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	91.6	160.9	-177.6	-18.3	0	0	0	108.6	I186 E187 K232 N233 K234 V235	I186-D230 WeakPolarHBondContact CA-OD2 3.34Å; E187-D230 HydrophobicContact CB-CB 4.05Å; E187-D230 PolarHBondContact N-OD2 3.28Å; D230-K232 PolarHBondContact O-N 3.2Å; D230-K232 WeakPolarHBondContact OD1-CB 3.41Å; D230-K232 PolarHBondContact OD1-N 3.37Å; D230-K232 VanDerWaalsContact OD1-N 3.1Å; D230-N233 PolarHBondContact O-N 3.31Å; D230-N233 PolarHBondContact OD1-N 2.83Å; D230-N233 PolarHBondContact OD1-ND2 2.9Å; D230-N233 WeakPolarHBondContact OD2-CB 3.4Å; D230-N233 PolarHBondContact OD2-ND2 3.49Å; D230-K234 WeakPolarHBondContact O-CA 3.46Å; D230-K234 PolarHBondContact O-N 2.87Å; D230-V235 HydrophobicContact CB-CB 4.21Å; D230-V235 PolarHBondContact N-O 3.21Å; D230-V235 PolarHBondContact O-N 3.24Å
231	E	97.4	Very high	97.7	Very high	98 Å²	98	36.5 Å²	36.5	46%	0.458	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.6	179.9	-71.2	-71.3	176.6	0	0	112.3	V229 R265 L266	V229-E231 HydrophobicContact CG1-CG 4.04Å; V229-E231 PolarHBondContact O-N 3.38Å; E231-R265 IonicContact OE1-CZ 3.29Å; E231-R265 VanDerWaalsContact OE1-CZ 3.29Å; E231-R265 IonicContact OE1-NH1 2.97Å; E231-R265 PolarHBondContact OE1-NH1 3.18Å; E231-R265 IonicContact OE1-NH2 2.69Å; E231-R265 PolarHBondContact OE1-NH2 2.93Å; E231-R265 IonicContact OE2-NH1 3.91Å; E231-R265 IonicContact OE2-NH2 3.86Å; E231-L266 VanDerWaalsContact OE2-CD2 3.23Å; E231-L266 WeakPolarHBondContact OE2-CD2 3.41Å
232	K	97	Very high	97.7	Very high	149 Å²	149	33.7 Å²	33.7	65%	0.648	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-46.6	-177.8	179.6	-175.6	174.2	-173.6	0	110.4	R166 D230	R166-K232 PolarHBondContact NH1-O 3.16Å; R166-K232 PolarHBondContact NH2-O 3.04Å; D230-K232 PolarHBondContact O-N 3.2Å; D230-K232 WeakPolarHBondContact OD1-CB 3.41Å; D230-K232 PolarHBondContact OD1-N 3.37Å; D230-K232 VanDerWaalsContact OD1-N 3.1Å
233	N	98.1	Very high	97.6	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-6.7	-178.4	-66.9	-67.4	0	0	0	113.8	H163 S185 I186 D230 V235	H163-N233 PolarHBondContact NE2-OD1 3.46Å; S185-N233 PolarHBondContact O-ND2 3.46Å; I186-N233 HydrophobicContact CG2-CB 4.07Å; D230-N233 PolarHBondContact O-N 3.31Å; D230-N233 PolarHBondContact OD1-N 2.83Å; D230-N233 PolarHBondContact OD1-ND2 2.9Å; D230-N233 WeakPolarHBondContact OD2-CB 3.4Å; D230-N233 PolarHBondContact OD2-ND2 3.49Å; N233-V235 HydrophobicContact CB-CG2 3.99Å; N233-V235 PolarHBondContact O-N 2.74Å
234	K	98.4	Very high	97.6	Very high	50 Å²	50	31 Å²	31	22%	0.217	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	39.7	-170.7	-61.3	-177.2	168.3	-162.4	0	112.5	R166 P168 I169 D230 L266	R166-K234 WeakPolarHBondContact O-CD 3.34Å; R166-K234 WeakPolarHBondContact O-CE 3.33Å; R166-K234 PolarHBondContact O-NZ 2.98Å; P168-K234 VanDerWaalsContact CA-O 3.25Å; P168-K234 WeakPolarHBondContact CA-O 3.34Å; P168-K234 HydrophobicContact CB-CB 4.38Å; P168-K234 HydrophobicContact CG-CB 4.5Å; P168-K234 HydrophobicContact CG-CD 4.37Å; I169-K234 PolarHBondContact N-O 2.85Å; D230-K234 WeakPolarHBondContact O-CA 3.46Å; D230-K234 PolarHBondContact O-N 2.87Å; K234-L266 HydrophobicContact CB-CD1 4.4Å; K234-L266 PolarHBondContact NZ-O 2.86Å
235	V	98.9	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.2	173.9	177.5	0	0	0	0	108	I169 L171 L183 I186 V188 D230 N233	I169-V235 WeakPolarHBondContact O-CA 3.37Å; L171-V235 HydrophobicContact CD1-CG1 3.69Å; L183-V235 HydrophobicContact CD1-CG2 4.28Å; I186-V235 HydrophobicContact CG2-CG2 4.38Å; V188-V235 HydrophobicContact CG1-CG1 4.12Å; D230-V235 HydrophobicContact CB-CB 4.21Å; D230-V235 PolarHBondContact N-O 3.21Å; D230-V235 PolarHBondContact O-N 3.24Å; N233-V235 HydrophobicContact CB-CG2 3.99Å; N233-V235 PolarHBondContact O-N 2.74Å
236	V	98.9	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.4	175.7	-171.9	0	0	0	0	107.7	I169 G170 L171 A227 Y228 V229 M259 H262 V263 L266	I169-V236 PolarHBondContact O-N 3.3Å; G170-V236 CarbonylContact C-O 3.54Å; G170-V236 WeakPolarHBondContact CA-O 3.49Å; L171-V236 PolarHBondContact N-O 3.02Å; A227-V236 HydrophobicContact CB-CG1 4.34Å; Y228-V236 WeakPolarHBondContact O-CA 3.17Å; V229-V236 HydrophobicContact CG1-CG2 4.33Å; V229-V236 HydrophobicContact CG2-CG1 4.24Å; V229-V236 HydrophobicContact CG2-CG2 4.35Å; V236-M259 HydrophobicContact CB-CG 4.35Å; V236-M259 HydrophobicContact CG1-CB 4.23Å; V236-M259 HydrophobicContact CG1-CG 3.82Å; V236-H262 HydrophobicContact CG1-CB 3.88Å; V236-H262 HydrophobicContact CG2-CB 4.07Å; V236-V263 HydrophobicContact CB-CG2 3.96Å; V236-V263 HydrophobicContact CG2-CG2 3.94Å; V236-L266 HydrophobicContact CG2-CD1 3.77Å
237	S	98.9	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.7	178.4	47.1	0	0	0	0	111.8	L171 V188 T189 A227 Y228	L171-S237 WeakPolarHBondContact O-CA 3.43Å; V188-S237 WeakPolarHBondContact CA-OG 3.37Å; T189-S237 WeakPolarHBondContact CG2-O 3.17Å; T189-S237 PolarHBondContact N-OG 3.39Å; T189-S237 WeakPolarHBondContact O-CB 3.38Å; A227-S237 CarbonylContact C-O 3.51Å; A227-S237 VanDerWaalsContact CA-O 3.26Å; A227-S237 WeakPolarHBondContact CA-O 3.49Å; Y228-S237 PolarHBondContact N-O 2.95Å; Y228-S237 PolarHBondContact O-N 3.42Å
238	T	98.8	Very high	96.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.2	177.1	-179.1	0	0	0	0	109.7	L171 A172 S173 E226 G255 M259	L171-T238 PolarHBondContact O-N 3.32Å; L171-T238 VanDerWaalsContact O-N 3.08Å; A172-T238 HydrophobicContact CB-CG2 3.84Å; S173-T238 PolarHBondContact N-O 3.49Å; E226-T238 PolarHBondContact O-OG1 3.18Å; T238-G255 PolarHBondContact OG1-O 3.49Å; T238-M259 HydrophobicContact CG2-CB 3.88Å; T238-M259 HydrophobicContact CG2-CE 4.5Å; T238-M259 HydrophobicContact CG2-CG 4.3Å; T238-M259 HydrophobicContact CG2-SD 3.78Å
239	P	97.9	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.193	C	C	.	.			trans	-64.1	-43.3	-178.3	-23	35.6	0	0	0	113.1	S173 T189 W203 R222 E226 F241 M242	S173-P239 VanDerWaalsContact CA-O 3.23Å; S173-P239 WeakPolarHBondContact CA-O 3.42Å; T189-P239 HydrophobicContact CG2-CG 4.04Å; W203-P239 HydrophobicContact CH2-CB 3.71Å; W203-P239 HydrophobicContact CH2-CG 4.37Å; W203-P239 HydrophobicContact CZ3-CB 3.74Å; R222-P239 HydrophobicContact CB-CG 3.95Å; E226-P239 VanDerWaalsContact O-CD 3.23Å; E226-P239 WeakPolarHBondContact O-CD 3.42Å; P239-F241 PolarHBondContact O-N 3.09Å; P239-M242 VanDerWaalsContact O-CB 3.27Å; P239-M242 WeakPolarHBondContact O-CB 3.43Å; P239-M242 VanDerWaalsContact O-CG 3.25Å; P239-M242 WeakPolarHBondContact O-CG 3.44Å; P239-M242 PolarHBondContact O-N 3.5Å
240	S	96.4	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	50.9	-133.9	175.5	-169.2	0	0	0	0	111.2	E54 M242 W243 I252	E54-S240 VanDerWaalsContact CG-OG 3.32Å; E54-S240 WeakPolarHBondContact CG-OG 3.48Å; E54-S240 VanDerWaalsContact OE1-CB 3.24Å; E54-S240 WeakPolarHBondContact OE1-CB 3.44Å; E54-S240 PolarHBondContact OE1-OG 3.14Å; S240-M242 PolarHBondContact O-N 3.2Å; S240-W243 PolarHBondContact O-N 3.34Å; S240-I252 VanDerWaalsContact C-CD1 3.5Å; S240-I252 WeakPolarHBondContact O-CD1 3.48Å; S240-I252 WeakPolarHBondContact OG-CG2 3.16Å
241	F	96.8	Very high	96.7	Very high	14 Å²	14	48.9 Å²	48.9	6%	0.061	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-72.6	12.2	-179.1	-70	-65.8	0	0	0	115.4	W46 D51 H53 E54 P239 W243 Y249 I252	W46-F241 HydrophobicContact CE3-CB 4.38Å; W46-F241 HydrophobicContact CH2-CB 3.61Å; W46-F241 WeakPolarHBondContact CH2-O 3.1Å; W46-F241 HydrophobicContact CZ3-CB 3.51Å; W46-F241 HydrophobicContact CZ3-CD2 4.48Å; W46-F241 HydrophobicContact CZ3-CG 4.33Å; D51-F241 VanDerWaalsContact OD1-CE2 3.24Å; D51-F241 WeakPolarHBondContact OD1-CE2 3.46Å; H53-F241 HydrophobicContact CB-CE2 3.75Å; H53-F241 HydrophobicContact CB-CZ 3.98Å; E54-F241 HydrophobicContact CG-CD2 3.64Å; E54-F241 HydrophobicContact CG-CE2 3.89Å; E54-F241 VanDerWaalsContact OE1-CD2 3.3Å; E54-F241 WeakPolarHBondContact OE1-CD2 3.23Å; E54-F241 PolarHBondContact OE1-N 2.97Å; P239-F241 PolarHBondContact O-N 3.09Å; F241-W243 PolarHBondContact O-N 2.94Å; F241-Y249 HydrophobicContact CE1-CD1 4.11Å; F241-Y249 AromaticContact CE1-CE1 3.79Å; F241-Y249 HydrophobicContact CE1-CE1 3.79Å; F241-Y249 HydrophobicContact CE1-CE2 4.33Å; F241-Y249 AromaticContact CE1-CZ 3.91Å; F241-Y249 AromaticContact CZ-CD1 3.64Å; F241-Y249 HydrophobicContact CZ-CD1 3.64Å; F241-Y249 AromaticContact CZ-CE1 3.46Å; F241-Y249 HydrophobicContact CZ-CE1 3.46Å; F241-Y249 VanDerWaalsContact CZ-CE1 3.46Å; F241-Y249 HydrophobicContact CZ-CG 4.38Å; F241-I252 HydrophobicContact CD1-CD1 4.11Å; F241-I252 HydrophobicContact CD1-CG1 4.04Å; F241-I252 HydrophobicContact CD2-CG2 3.92Å; F241-I252 HydrophobicContact CE1-CB 4.42Å; F241-I252 HydrophobicContact CE1-CD1 4.28Å; F241-I252 HydrophobicContact CE1-CG1 3.69Å; F241-I252 HydrophobicContact CE1-CG2 4.27Å; F241-I252 HydrophobicContact CE2-CB 4.46Å; F241-I252 HydrophobicContact CE2-CG2 3.57Å; F241-I252 HydrophobicContact CG-CG2 4.36Å; F241-I252 HydrophobicContact CZ-CB 4.17Å; F241-I252 HydrophobicContact CZ-CG1 3.95Å; F241-I252 HydrophobicContact CZ-CG2 3.76Å
242	M	96.8	Very high	96.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.5	156.8	-66.1	-66.7	-66.8	0	0	110.9	M174 M190 W203 Q205 M208 P239 S240	M174-M242 HydrophobicContact CG-SD 3.82Å; M190-M242 HydrophobicContact CB-CE 4.25Å; M190-M242 HydrophobicContact CE-CE 3.78Å; M190-M242 HydrophobicContact CE-SD 4.09Å; M190-M242 WeakPolarHBondContact O-CB 3.18Å; M190-M242 WeakPolarHBondContact O-CG 3.44Å; W203-M242 HydrophobicContact CE3-CB 4.3Å; W203-M242 HydrophobicContact CZ3-CB 4.03Å; Q205-M242 HydrophobicContact CB-CE 3.36Å; Q205-M242 HydrophobicContact CB-SD 4.02Å; Q205-M242 HydrophobicContact CG-CE 4.39Å; Q205-M242 HydrophobicContact CG-SD 4.47Å; M208-M242 HydrophobicContact CB-CE 4.32Å; M208-M242 HydrophobicContact SD-CE 4.49Å; P239-M242 VanDerWaalsContact O-CB 3.27Å; P239-M242 WeakPolarHBondContact O-CB 3.43Å; P239-M242 VanDerWaalsContact O-CG 3.25Å; P239-M242 WeakPolarHBondContact O-CG 3.44Å; P239-M242 PolarHBondContact O-N 3.5Å; S240-M242 PolarHBondContact O-N 3.2Å
243	W	97	Very high	96.8	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.045	18%	0.177	C	C	.	.	S	Bend	trans	-93.6	113.8	164.9	-174.2	62	0	0	0	110.2	W200 G201 N202 W203 P224 S240 F241 T245 H248 Y251 I252	W200-W243 VanDerWaalsContact C-CZ2 3.43Å; W200-W243 HydrophobicContact CB-CH2 4.03Å; W200-W243 HydrophobicContact CB-CZ2 3.74Å; W200-W243 WeakPolarHBondContact O-CH2 3.48Å; W200-W243 VanDerWaalsContact O-CZ2 3.24Å; W200-W243 WeakPolarHBondContact O-CZ2 3.16Å; G201-W243 VanDerWaalsContact C-NE1 3.29Å; N202-W243 CarbonylContact O-C 3.56Å; N202-W243 WeakPolarHBondContact O-CA 3.36Å; W203-W243 HydrophobicContact CD2-CB 4.1Å; W203-W243 AromaticContact CD2-CD1 3.79Å; W203-W243 HydrophobicContact CD2-CG 4.34Å; W203-W243 AromaticContact CE2-CD1 3.47Å; W203-W243 VanDerWaalsContact CE2-CD1 3.47Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 HydrophobicContact CH2-CB 3.65Å; W203-W243 HydrophobicContact CH2-CG 4.26Å; W203-W243 HydrophobicContact CZ2-CB 3.93Å; W203-W243 AromaticContact CZ2-CD1 3.86Å; W203-W243 HydrophobicContact CZ2-CG 4.05Å; W203-W243 HydrophobicContact CZ3-CB 3.55Å; W203-W243 HydrophobicContact CZ3-CG 4.46Å; W203-W243 AromaticContact NE1-CD1 3.58Å; P224-W243 HydrophobicContact CB-CB 4.04Å; P224-W243 HydrophobicContact CB-CD2 3.9Å; P224-W243 HydrophobicContact CB-CE3 3.54Å; P224-W243 HydrophobicContact CB-CG 4.15Å; P224-W243 HydrophobicContact CB-CZ3 4.22Å; P224-W243 HydrophobicContact CG-CB 3.71Å; P224-W243 HydrophobicContact CG-CD2 3.3Å; P224-W243 HydrophobicContact CG-CE3 3.45Å; P224-W243 VanDerWaalsContact CG-CE3 3.45Å; P224-W243 HydrophobicContact CG-CG 3.45Å; P224-W243 VanDerWaalsContact CG-CG 3.45Å; P224-W243 HydrophobicContact CG-CZ3 4.15Å; S240-W243 PolarHBondContact O-N 3.34Å; F241-W243 PolarHBondContact O-N 2.94Å; W243-T245 HydrophobicContact CE3-CG2 3.89Å; W243-T245 HydrophobicContact CH2-CG2 4.41Å; W243-T245 HydrophobicContact CZ3-CG2 3.68Å; W243-H248 HydrophobicContact CH2-CB 3.81Å; W243-H248 HydrophobicContact CZ3-CB 3.88Å; W243-Y251 AromaticContact CH2-CD2 3.92Å; W243-Y251 HydrophobicContact CH2-CD2 3.92Å; W243-Y251 HydrophobicContact CH2-CE2 4.49Å; W243-Y251 AromaticContact CZ3-CD2 3.92Å; W243-Y251 HydrophobicContact CZ3-CD2 3.92Å; W243-I252 HydrophobicContact CE3-CD1 4.12Å
244	E	94.8	Very high	96.8	Very high	70 Å²	70	42.3 Å²	42.3	33%	0.327	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-79.8	131	174.9	-73.5	-173.6	-179.7	0	0	109.9	G201 N202 P204	G201-E244 CarbonylContact C-O 3.44Å; G201-E244 WeakPolarHBondContact CA-O 3.4Å; N202-E244 PolarHBondContact N-O 3.44Å; N202-E244 PolarHBondContact O-N 3Å; P204-E244 HydrophobicContact CG-CB 4.36Å; P204-E244 HydrophobicContact CG-CG 3.68Å; P204-E244 WeakPolarHBondContact CG-OE1 3.24Å
245	T	94.6	Very high	96.8	Very high	16 Å²	16	40 Å²	40	10%	0.098	18%	0.18	C	C	.	.			trans	-145.5	143.3	179.7	-174.3	0	0	0	0	110.4	W200 W243 H248 Y249	W200-T245 WeakPolarHBondContact O-CB 3.33Å; W200-T245 PolarHBondContact O-OG1 2.73Å; W243-T245 HydrophobicContact CE3-CG2 3.89Å; W243-T245 HydrophobicContact CH2-CG2 4.41Å; W243-T245 HydrophobicContact CZ3-CG2 3.68Å; T245-H248 HydrophobicContact CG2-CB 4.22Å; T245-H248 WeakPolarHBondContact OG1-CB 3.3Å; T245-H248 PolarHBondContact OG1-CD2 3.44Å; T245-H248 PolarHBondContact OG1-N 3.48Å; T245-Y249 HydrophobicContact CG2-CD2 4.42Å
246	D	92.3	Very high	96.8	Very high	132 Å²	132	40 Å²	40	71%	0.706	18%	0.18	S	C	*	.	S	Bend	trans	-78	-35.9	179.6	-66.6	-37.4	0	0	0	112.5
247	Y	91.8	Very high	96.8	Very high	193 Å²	193	40 Å²	40	76%	0.757	18%	0.181	S	C	*	.	S	Bend	trans	-135.9	-14.3	-167.4	-52.1	-63.9	0	0	0	114.6	Y249	Y247-Y249 VanDerWaalsContact C-N 3.29Å; Y247-Y249 PolarHBondContact O-N 3.43Å; Y247-Y249 VanDerWaalsContact O-N 3.09Å
248	H	95	Very high	96.8	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.153	20%	0.195	C	C	.	.			trans	-92.1	45.4	-168.8	-60.8	-86.3	0	0	0	114.3	W200 W243 T245 H250 Y251	W200-H248 AromaticContact CD2-CE1 3.98Å; W200-H248 AromaticContact CD2-NE2 3.69Å; W200-H248 AromaticContact CE3-CE1 3.56Å; W200-H248 AromaticContact CE3-NE2 3.04Å; W200-H248 AromaticContact CZ3-CE1 3.85Å; W200-H248 AromaticContact CZ3-NE2 3.6Å; W243-H248 HydrophobicContact CH2-CB 3.81Å; W243-H248 HydrophobicContact CZ3-CB 3.88Å; T245-H248 HydrophobicContact CG2-CB 4.22Å; T245-H248 WeakPolarHBondContact OG1-CB 3.3Å; T245-H248 PolarHBondContact OG1-CD2 3.44Å; T245-H248 PolarHBondContact OG1-N 3.48Å; H248-H250 AromaticContact CG-CE1 3.99Å; H248-H250 AromaticContact ND1-CE1 3.35Å; H248-H250 PolarHBondContact ND1-CE1 3.45Å; H248-H250 AromaticContact ND1-NE2 3.84Å; H248-H250 PolarHBondContact O-N 3.35Å; H248-H250 VanDerWaalsContact O-N 3.1Å; H248-Y251 HydrophobicContact CB-CD2 3.71Å; H248-Y251 HydrophobicContact CB-CE2 4.16Å; H248-Y251 PolarHBondContact O-N 3.33Å; H248-Y251 VanDerWaalsContact O-N 3.11Å
249	Y	97.2	Very high	96.7	Very high	75 Å²	75	42.5 Å²	42.5	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-18.1	-179.3	-79	-121.7	0	0	0	113.3	H53 F241 T245 Y247 Y251 I252 F253	H53-Y249 HydrophobicContact CB-CD1 4.42Å; H53-Y249 HydrophobicContact CB-CE1 4.47Å; H53-Y249 AromaticContact CD2-CE1 3.58Å; H53-Y249 AromaticContact CE1-CD1 3.93Å; H53-Y249 AromaticContact CE1-CE1 3.61Å; H53-Y249 AromaticContact CG-CD1 3.89Å; H53-Y249 AromaticContact CG-CE1 3.7Å; H53-Y249 AromaticContact ND1-CD1 3.69Å; H53-Y249 AromaticContact ND1-CE1 3.72Å; H53-Y249 AromaticContact NE2-CE1 3.53Å; F241-Y249 HydrophobicContact CE1-CD1 4.11Å; F241-Y249 AromaticContact CE1-CE1 3.79Å; F241-Y249 HydrophobicContact CE1-CE1 3.79Å; F241-Y249 HydrophobicContact CE1-CE2 4.33Å; F241-Y249 AromaticContact CE1-CZ 3.91Å; F241-Y249 AromaticContact CZ-CD1 3.64Å; F241-Y249 HydrophobicContact CZ-CD1 3.64Å; F241-Y249 AromaticContact CZ-CE1 3.46Å; F241-Y249 HydrophobicContact CZ-CE1 3.46Å; F241-Y249 VanDerWaalsContact CZ-CE1 3.46Å; F241-Y249 HydrophobicContact CZ-CG 4.38Å; T245-Y249 HydrophobicContact CG2-CD2 4.42Å; Y247-Y249 VanDerWaalsContact C-N 3.29Å; Y247-Y249 PolarHBondContact O-N 3.43Å; Y247-Y249 VanDerWaalsContact O-N 3.09Å; Y249-Y251 VanDerWaalsContact C-N 3.35Å; Y249-I252 WeakPolarHBondContact O-CB 3.38Å; Y249-I252 PolarHBondContact O-N 2.99Å; Y249-F253 PolarHBondContact O-N 3Å
250	H	97.3	Very high	96.8	Very high	91 Å²	91	42.5 Å²	42.5	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-64.2	-36.6	173.6	56.4	-89.1	0	0	0	112.4	H248 I252 F253 D254	H248-H250 AromaticContact CG-CE1 3.99Å; H248-H250 AromaticContact ND1-CE1 3.35Å; H248-H250 PolarHBondContact ND1-CE1 3.45Å; H248-H250 AromaticContact ND1-NE2 3.84Å; H248-H250 PolarHBondContact O-N 3.35Å; H248-H250 VanDerWaalsContact O-N 3.1Å; H250-I252 VanDerWaalsContact C-N 3.28Å; H250-I252 PolarHBondContact O-N 3.43Å; H250-F253 WeakPolarHBondContact O-CB 3.38Å; H250-F253 PolarHBondContact O-N 3.15Å; H250-D254 WeakPolarHBondContact O-CB 3.49Å; H250-D254 VanDerWaalsContact O-CG 3.26Å; H250-D254 PolarHBondContact O-N 3.19Å
251	Y	97	Very high	96.7	Very high	76 Å²	76	46.7 Å²	46.7	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-64.7	-38	174.2	-69.7	-49.7	0	0	0	111.3	Y225 W243 H248 Y249 D254 G255	Y225-Y251 VanDerWaalsContact CA-O 3.25Å; Y225-Y251 WeakPolarHBondContact CA-O 3.26Å; Y225-Y251 WeakPolarHBondContact CB-O 3.31Å; Y225-Y251 AromaticContact CD1-CD1 3.4Å; Y225-Y251 HydrophobicContact CD1-CD1 3.4Å; Y225-Y251 VanDerWaalsContact CD1-CD1 3.4Å; Y225-Y251 AromaticContact CD1-CE1 3.86Å; Y225-Y251 HydrophobicContact CD1-CE1 3.86Å; Y225-Y251 AromaticContact CD1-CG 3.95Å; Y225-Y251 HydrophobicContact CD1-CG 3.95Å; Y225-Y251 HydrophobicContact CE1-CD1 4.24Å; Y225-Y251 HydrophobicContact CE1-CE1 4.27Å; Y225-Y251 AromaticContact CG-CD1 3.86Å; Y225-Y251 HydrophobicContact CG-CD1 3.86Å; Y225-Y251 HydrophobicContact CG-CE1 4.47Å; W243-Y251 AromaticContact CH2-CD2 3.92Å; W243-Y251 HydrophobicContact CH2-CD2 3.92Å; W243-Y251 HydrophobicContact CH2-CE2 4.49Å; W243-Y251 AromaticContact CZ3-CD2 3.92Å; W243-Y251 HydrophobicContact CZ3-CD2 3.92Å; H248-Y251 HydrophobicContact CB-CD2 3.71Å; H248-Y251 HydrophobicContact CB-CE2 4.16Å; H248-Y251 PolarHBondContact O-N 3.33Å; H248-Y251 VanDerWaalsContact O-N 3.11Å; Y249-Y251 VanDerWaalsContact C-N 3.35Å; Y251-D254 PolarHBondContact O-N 2.92Å; Y251-G255 PolarHBondContact O-N 2.85Å
252	I	97.9	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-45.7	175.9	-50.4	-57.1	0	0	0	110.9	Y57 P224 S240 F241 W243 Y249 H250 D254 G255 V256	Y57-I252 HydrophobicContact CD2-CG2 4.39Å; Y57-I252 HydrophobicContact CE2-CB 4.44Å; Y57-I252 HydrophobicContact CE2-CG2 4.37Å; P224-I252 HydrophobicContact CB-CD1 4.38Å; S240-I252 VanDerWaalsContact C-CD1 3.5Å; S240-I252 WeakPolarHBondContact O-CD1 3.48Å; S240-I252 WeakPolarHBondContact OG-CG2 3.16Å; F241-I252 HydrophobicContact CD1-CD1 4.11Å; F241-I252 HydrophobicContact CD1-CG1 4.04Å; F241-I252 HydrophobicContact CD2-CG2 3.92Å; F241-I252 HydrophobicContact CE1-CB 4.42Å; F241-I252 HydrophobicContact CE1-CD1 4.28Å; F241-I252 HydrophobicContact CE1-CG1 3.69Å; F241-I252 HydrophobicContact CE1-CG2 4.27Å; F241-I252 HydrophobicContact CE2-CB 4.46Å; F241-I252 HydrophobicContact CE2-CG2 3.57Å; F241-I252 HydrophobicContact CG-CG2 4.36Å; F241-I252 HydrophobicContact CZ-CB 4.17Å; F241-I252 HydrophobicContact CZ-CG1 3.95Å; F241-I252 HydrophobicContact CZ-CG2 3.76Å; W243-I252 HydrophobicContact CE3-CD1 4.12Å; Y249-I252 WeakPolarHBondContact O-CB 3.38Å; Y249-I252 PolarHBondContact O-N 2.99Å; H250-I252 VanDerWaalsContact C-N 3.28Å; H250-I252 PolarHBondContact O-N 3.43Å; I252-D254 VanDerWaalsContact C-N 3.31Å; I252-D254 PolarHBondContact O-N 2.95Å; I252-G255 PolarHBondContact O-N 2.77Å; I252-V256 WeakPolarHBondContact O-CG2 3.43Å; I252-V256 PolarHBondContact O-N 3.17Å
253	F	98.5	Very high	96.8	Very high	55 Å²	55	48.8 Å²	48.8	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-57.2	-43.8	174	173.8	-90.9	0	0	0	112	Y57 Y60 H61 Y249 H250 G257	Y57-F253 AromaticContact CD1-CD2 3.59Å; Y57-F253 HydrophobicContact CD1-CD2 3.59Å; Y57-F253 HydrophobicContact CD1-CE2 4.34Å; Y57-F253 HydrophobicContact CD2-CB 3.91Å; Y57-F253 HydrophobicContact CD2-CD2 4.27Å; Y57-F253 AromaticContact CE1-CD2 3.92Å; Y57-F253 HydrophobicContact CE1-CD2 3.92Å; Y57-F253 HydrophobicContact CE2-CB 3.85Å; Y57-F253 HydrophobicContact CG-CB 4.28Å; Y57-F253 AromaticContact CG-CD2 3.78Å; Y57-F253 HydrophobicContact CG-CD2 3.78Å; Y60-F253 AromaticContact CD1-CE2 3.47Å; Y60-F253 HydrophobicContact CD1-CE2 3.47Å; Y60-F253 VanDerWaalsContact CD1-CE2 3.47Å; Y60-F253 AromaticContact CD1-CZ 3.69Å; Y60-F253 HydrophobicContact CD1-CZ 3.69Å; Y60-F253 AromaticContact CE1-CE2 3.64Å; Y60-F253 HydrophobicContact CE1-CE2 3.64Å; Y60-F253 AromaticContact CE1-CZ 3.36Å; Y60-F253 HydrophobicContact CE1-CZ 3.36Å; Y60-F253 HydrophobicContact CG-CE2 4.17Å; H61-F253 AromaticContact CE1-CD1 3.98Å; H61-F253 AromaticContact CE1-CE1 3.4Å; H61-F253 WeakPolarHBondContact CE1-CE1 3.39Å; H61-F253 AromaticContact CE1-CE2 3.76Å; H61-F253 AromaticContact CE1-CZ 3.3Å; H61-F253 WeakPolarHBondContact CE1-CZ 3.42Å; H61-F253 AromaticContact NE2-CD1 3.73Å; H61-F253 AromaticContact NE2-CD2 3.59Å; H61-F253 AromaticContact NE2-CE1 3.58Å; H61-F253 AromaticContact NE2-CE2 3.44Å; H61-F253 WeakPolarHBondContact NE2-CE2 3.49Å; H61-F253 AromaticContact NE2-CG 3.75Å; H61-F253 AromaticContact NE2-CZ 3.45Å; H61-F253 WeakPolarHBondContact NE2-CZ 3.42Å; H61-F253 PolarHBondContact NE2-O 3.48Å; Y249-F253 PolarHBondContact O-N 3Å; H250-F253 WeakPolarHBondContact O-CB 3.38Å; H250-F253 PolarHBondContact O-N 3.15Å; F253-G257 PolarHBondContact O-N 2.71Å
254	D	98.2	Very high	96.7	Very high	69 Å²	69	48.2 Å²	48.2	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-67.4	-43.6	179.5	-71.2	-23.2	0	0	0	112	H250 Y251 I252 G257 N258	H250-D254 WeakPolarHBondContact O-CB 3.49Å; H250-D254 VanDerWaalsContact O-CG 3.26Å; H250-D254 PolarHBondContact O-N 3.19Å; Y251-D254 PolarHBondContact O-N 2.92Å; I252-D254 VanDerWaalsContact C-N 3.31Å; I252-D254 PolarHBondContact O-N 2.95Å; D254-G257 CarbonylContact O-C 3.55Å; D254-G257 WeakPolarHBondContact O-CA 3.39Å; D254-G257 PolarHBondContact O-N 3.39Å; D254-G257 VanDerWaalsContact O-N 3.15Å; D254-N258 PolarHBondContact O-N 3.07Å; D254-N258 PolarHBondContact O-ND2 3.29Å
255	G	98.4	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-48.2	176.6	0	0	0	0	0	112.4	Y225 T238 Y251 I252 G257 N258 M259	Y225-G255 VanDerWaalsContact C-CA 3.49Å; Y225-G255 WeakPolarHBondContact O-CA 3.36Å; Y225-G255 PolarHBondContact O-N 2.95Å; T238-G255 PolarHBondContact OG1-O 3.49Å; Y251-G255 PolarHBondContact O-N 2.85Å; I252-G255 PolarHBondContact O-N 2.77Å; G255-G257 VanDerWaalsContact C-N 3.28Å; G255-G257 PolarHBondContact O-N 2.77Å; G255-N258 PolarHBondContact O-N 3.38Å; G255-M259 PolarHBondContact O-N 2.91Å
256	V	98.8	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-39.5	173.3	174.5	0	0	0	0	111.1	T58 I252 M259 V260	T58-V256 WeakPolarHBondContact OG1-CG1 3.43Å; I252-V256 WeakPolarHBondContact O-CG2 3.43Å; I252-V256 PolarHBondContact O-N 3.17Å; V256-M259 HydrophobicContact CG1-CE 4.23Å; V256-M259 PolarHBondContact O-N 2.88Å; V256-V260 WeakPolarHBondContact O-CG2 3.04Å; V256-V260 PolarHBondContact O-N 3.38Å
257	G	98.2	Very high	96.7	Very high	2 Å²	2	44 Å²	44	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-43.6	175.9	0	0	0	0	0	113.4	H61 F253 D254 G255 V260 K261	H61-G257 WeakPolarHBondContact CD2-CA 3.41Å; H61-G257 PolarHBondContact CD2-N 3.17Å; H61-G257 VanDerWaalsContact CG-CA 3.45Å; H61-G257 VanDerWaalsContact NE2-CA 3.34Å; H61-G257 WeakPolarHBondContact NE2-CA 3.34Å; F253-G257 PolarHBondContact O-N 2.71Å; D254-G257 CarbonylContact O-C 3.55Å; D254-G257 WeakPolarHBondContact O-CA 3.39Å; D254-G257 PolarHBondContact O-N 3.39Å; D254-G257 VanDerWaalsContact O-N 3.15Å; G255-G257 VanDerWaalsContact C-N 3.28Å; G255-G257 PolarHBondContact O-N 2.77Å; G257-V260 PolarHBondContact O-N 2.95Å; G257-K261 WeakPolarHBondContact O-CG 3.26Å; G257-K261 PolarHBondContact O-N 3.28Å
258	N	98.3	Very high	96.1	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	17%	0.17	S	C	.	.	H	α-helix	trans	-64.9	-42.3	176.1	-72.9	-27.6	0	0	0	111.3	Y225 A227 D254 G255 V260 K261 H262	Y225-N258 PolarHBondContact O-ND2 3.41Å; A227-N258 HydrophobicContact CB-CB 4.12Å; D254-N258 PolarHBondContact O-N 3.07Å; D254-N258 PolarHBondContact O-ND2 3.29Å; G255-N258 PolarHBondContact O-N 3.38Å; N258-V260 PolarHBondContact O-N 2.98Å; N258-K261 PolarHBondContact O-N 3.14Å; N258-H262 PolarHBondContact O-CD2 2.82Å; N258-H262 PolarHBondContact O-N 3.31Å
259	M	98.8	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56	-51.6	171.8	178	-167.1	66.3	0	0	111.2	I128 L171 A172 A227 V236 T238 G255 V256 K261 H262 V263	I128-M259 HydrophobicContact CG2-CE 3.73Å; L171-M259 PolarHBondContact N-SD 3.38Å; L171-M259 VanDerWaalsContact N-SD 3.39Å; A172-M259 HydrophobicContact CB-CE 4.36Å; A172-M259 HydrophobicContact CB-SD 4.26Å; A227-M259 HydrophobicContact CB-CB 4.3Å; V236-M259 HydrophobicContact CB-CG 4.35Å; V236-M259 HydrophobicContact CG1-CB 4.23Å; V236-M259 HydrophobicContact CG1-CG 3.82Å; T238-M259 HydrophobicContact CG2-CB 3.88Å; T238-M259 HydrophobicContact CG2-CE 4.5Å; T238-M259 HydrophobicContact CG2-CG 4.3Å; T238-M259 HydrophobicContact CG2-SD 3.78Å; G255-M259 PolarHBondContact O-N 2.91Å; V256-M259 HydrophobicContact CG1-CE 4.23Å; V256-M259 PolarHBondContact O-N 2.88Å; M259-K261 PolarHBondContact O-N 2.8Å; M259-H262 PolarHBondContact O-N 2.84Å; M259-V263 WeakPolarHBondContact O-CG2 3.4Å; M259-V263 PolarHBondContact O-N 3.32Å
260	V	98.2	Very high	92.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-46.8	179.9	168.6	0	0	0	0	111	T58 H61 L62 I128 V256 G257 N258 H262 V263 M264	T58-V260 HydrophobicContact CG2-CG2 4.48Å; H61-V260 HydrophobicContact CB-CB 3.93Å; H61-V260 HydrophobicContact CB-CG1 3.94Å; H61-V260 HydrophobicContact CB-CG2 3.98Å; L62-V260 HydrophobicContact CD2-CG1 3.82Å; L62-V260 HydrophobicContact CG-CG1 4.04Å; L62-V260 HydrophobicContact CG-CG2 4.35Å; I128-V260 HydrophobicContact CD1-CG2 3.99Å; V256-V260 WeakPolarHBondContact O-CG2 3.04Å; V256-V260 PolarHBondContact O-N 3.38Å; G257-V260 PolarHBondContact O-N 2.95Å; N258-V260 PolarHBondContact O-N 2.98Å; V260-H262 VanDerWaalsContact C-N 3.32Å; V260-H262 PolarHBondContact O-N 3.09Å; V260-V263 PolarHBondContact O-N 2.93Å; V260-M264 HydrophobicContact CG1-CG 4.09Å; V260-M264 WeakPolarHBondContact O-CB 3.44Å; V260-M264 WeakPolarHBondContact O-CG 3.13Å; V260-M264 PolarHBondContact O-N 3.31Å
261	K	96	Very high	89.6	Confident	88 Å²	88	58.4 Å²	58.4	38%	0.383	27%	0.269	S	S	.	.	H	α-helix	trans	-57.1	-44.1	178	-74.4	172.4	-177.1	173.3	0	112.1	G257 N258 M259 M264 R265	G257-K261 WeakPolarHBondContact O-CG 3.26Å; G257-K261 PolarHBondContact O-N 3.28Å; N258-K261 PolarHBondContact O-N 3.14Å; M259-K261 PolarHBondContact O-N 2.8Å; K261-M264 PolarHBondContact O-N 2.92Å; K261-R265 WeakPolarHBondContact O-CB 3.38Å; K261-R265 PolarHBondContact O-N 2.79Å
262	H	97.2	Very high	89.2	Confident	61 Å²	61	57.6 Å²	57.6	28%	0.282	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-40.5	177.9	-73.2	-58.3	0	0	0	112.7	V229 V236 N258 M259 V260 M264 R265 L266	V229-H262 HydrophobicContact CG2-CB 3.73Å; V229-H262 VanDerWaalsContact CG2-CG 3.47Å; V236-H262 HydrophobicContact CG1-CB 3.88Å; V236-H262 HydrophobicContact CG2-CB 4.07Å; N258-H262 PolarHBondContact O-CD2 2.82Å; N258-H262 PolarHBondContact O-N 3.31Å; M259-H262 PolarHBondContact O-N 2.84Å; V260-H262 VanDerWaalsContact C-N 3.32Å; V260-H262 PolarHBondContact O-N 3.09Å; H262-M264 VanDerWaalsContact C-N 3.33Å; H262-M264 PolarHBondContact O-N 3.18Å; H262-R265 PolarHBondContact O-N 3.09Å; H262-L266 WeakPolarHBondContact O-CB 3.47Å; H262-L266 VanDerWaalsContact O-CG 3.28Å; H262-L266 WeakPolarHBondContact O-CG 3.3Å; H262-L266 PolarHBondContact O-N 3.21Å
263	V	97.9	Very high	88.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-50.2	172.9	165.9	0	0	0	0	110.2	A126 I128 P168 V236 M259 V260 R265 L266 S267	A126-V263 HydrophobicContact CB-CG1 3.5Å; I128-V263 HydrophobicContact CD1-CB 4.43Å; I128-V263 HydrophobicContact CD1-CG1 4.13Å; I128-V263 HydrophobicContact CD1-CG2 4.4Å; I128-V263 HydrophobicContact CG1-CG1 4.24Å; I128-V263 HydrophobicContact CG1-CG2 4.32Å; P168-V263 HydrophobicContact CB-CG1 4.28Å; V236-V263 HydrophobicContact CB-CG2 3.96Å; V236-V263 HydrophobicContact CG2-CG2 3.94Å; M259-V263 WeakPolarHBondContact O-CG2 3.4Å; M259-V263 PolarHBondContact O-N 3.32Å; V260-V263 PolarHBondContact O-N 2.93Å; V263-R265 PolarHBondContact O-N 2.86Å; V263-L266 PolarHBondContact O-N 2.89Å; V263-S267 PolarHBondContact O-N 3.34Å; V263-S267 PolarHBondContact O-OG 3.01Å
264	M	94.4	Very high	88.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-43.7	-179.6	-63.6	-67.2	-64.4	0	0	111.8	W32 T35 V37 L62 A67 V260 K261 H262 L266 S267 S268	W32-M264 HydrophobicContact CB-CB 4.48Å; W32-M264 HydrophobicContact CB-CE 3.35Å; W32-M264 HydrophobicContact CD2-CB 4.47Å; W32-M264 HydrophobicContact CG-CB 4.12Å; W32-M264 HydrophobicContact CG-CE 4.14Å; T35-M264 HydrophobicContact CG2-CE 3.94Å; T35-M264 HydrophobicContact CG2-SD 3.83Å; V37-M264 HydrophobicContact CG2-SD 3.87Å; L62-M264 HydrophobicContact CD2-SD 3.9Å; A67-M264 HydrophobicContact CB-CE 3.5Å; A67-M264 VanDerWaalsContact CB-CE 3.5Å; A67-M264 HydrophobicContact CB-SD 3.72Å; V260-M264 HydrophobicContact CG1-CG 4.09Å; V260-M264 WeakPolarHBondContact O-CB 3.44Å; V260-M264 WeakPolarHBondContact O-CG 3.13Å; V260-M264 PolarHBondContact O-N 3.31Å; K261-M264 PolarHBondContact O-N 2.92Å; H262-M264 VanDerWaalsContact C-N 3.33Å; H262-M264 PolarHBondContact O-N 3.18Å; M264-L266 VanDerWaalsContact C-N 3.31Å; M264-L266 PolarHBondContact O-N 2.59Å; M264-S267 PolarHBondContact O-N 3.03Å; M264-S268 PolarHBondContact O-N 3.23Å; M264-S268 PolarHBondContact O-OG 3.3Å
265	R	94.2	Very high	87.6	Confident	94 Å²	94	60.4 Å²	60.4	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-41.8	174.7	-179.6	-168.1	60.7	104	-0.8	112.2	W32 E231 K261 H262 V263 S267 S268	W32-R265 HydrophobicContact CH2-CB 4.28Å; W32-R265 HydrophobicContact CH2-CG 4.36Å; W32-R265 HydrophobicContact CZ2-CB 4.07Å; W32-R265 HydrophobicContact CZ2-CG 4.45Å; E231-R265 IonicContact OE1-CZ 3.29Å; E231-R265 VanDerWaalsContact OE1-CZ 3.29Å; E231-R265 IonicContact OE1-NH1 2.97Å; E231-R265 PolarHBondContact OE1-NH1 3.18Å; E231-R265 IonicContact OE1-NH2 2.69Å; E231-R265 PolarHBondContact OE1-NH2 2.93Å; E231-R265 IonicContact OE2-NH1 3.91Å; E231-R265 IonicContact OE2-NH2 3.86Å; K261-R265 WeakPolarHBondContact O-CB 3.38Å; K261-R265 PolarHBondContact O-N 2.79Å; H262-R265 PolarHBondContact O-N 3.09Å; V263-R265 PolarHBondContact O-N 2.86Å; R265-S267 VanDerWaalsContact C-N 3.34Å; R265-S268 PolarHBondContact O-N 3.47Å
266	L	95.1	Very high	86.9	Confident	15 Å²	15	64.2 Å²	64.2	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-78.2	-17.9	-178.3	-68.1	175	0	0	0	114.1	P168 V229 E231 K234 V236 H262 V263 M264 S268	P168-L266 HydrophobicContact CB-CB 3.99Å; P168-L266 VanDerWaalsContact CG-C 3.42Å; P168-L266 HydrophobicContact CG-CB 3.38Å; V229-L266 HydrophobicContact CG1-CD1 3.82Å; E231-L266 VanDerWaalsContact OE2-CD2 3.23Å; E231-L266 WeakPolarHBondContact OE2-CD2 3.41Å; K234-L266 HydrophobicContact CB-CD1 4.4Å; K234-L266 PolarHBondContact NZ-O 2.86Å; V236-L266 HydrophobicContact CG2-CD1 3.77Å; H262-L266 WeakPolarHBondContact O-CB 3.47Å; H262-L266 VanDerWaalsContact O-CG 3.28Å; H262-L266 WeakPolarHBondContact O-CG 3.3Å; H262-L266 PolarHBondContact O-N 3.21Å; V263-L266 PolarHBondContact O-N 2.89Å; M264-L266 VanDerWaalsContact C-N 3.31Å; M264-L266 PolarHBondContact O-N 2.59Å; L266-S268 VanDerWaalsContact C-N 3.35Å
267	S	91.9	Very high	86.1	Confident	19 Å²	19	68.5 Å²	68.5	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-79	-21.6	174.2	-71.4	0	0	0	0	112.6	D125 A126 V263 M264 R265 K269	D125-S267 PolarHBondContact O-OG 3.43Å; A126-S267 WeakPolarHBondContact CB-OG 3.35Å; V263-S267 PolarHBondContact O-N 3.34Å; V263-S267 PolarHBondContact O-OG 3.01Å; M264-S267 PolarHBondContact O-N 3.03Å; R265-S267 VanDerWaalsContact C-N 3.34Å; S267-K269 PolarHBondContact O-N 3.24Å
268	S	79.7	Confident	85.3	Confident	39 Å²	39	73.2 Å²	73.2	27%	0.273	34%	0.337	S	S	.	.	S	Bend	trans	-74	130.2	-178.4	-63.6	0	0	0	0	110.9	W32 M264 R265 L266 K270	W32-S268 WeakPolarHBondContact CZ3-OG 3.22Å; M264-S268 PolarHBondContact O-N 3.23Å; M264-S268 PolarHBondContact O-OG 3.3Å; R265-S268 PolarHBondContact O-N 3.47Å; L266-S268 VanDerWaalsContact C-N 3.35Å; S268-K270 PolarHBondContact O-N 2.9Å
269	K	63.5	Low	84.3	Confident	188 Å²	188	74.8 Å²	74.8	82%	0.817	34%	0.342	S	S	*	.			trans	-64.1	124.9	171.7	-63.1	-178	-179	-179.1	0	106.5	S267 E271	S267-K269 PolarHBondContact O-N 3.24Å; K269-E271 PolarHBondContact O-N 3.43Å; K269-E271 VanDerWaalsContact O-N 3.12Å
270	K	51.2	Low	83.1	Confident	206 Å²	206	81.1 Å²	81.1	90%	0.896	37%	0.37	S	S	*	.			trans	-61.9	114.1	160.9	-71.6	-174.2	176.4	-174.9	0	105.2	S268	S268-K270 PolarHBondContact O-N 2.9Å
271	E	37.5	Very low	81.7	Confident	263 Å²	263	88.5 Å²	88.5	100%	1.229	40%	0.404	S	S	*	.			trans	-61	0	164.6	-69.5	-176.6	162.2	0	0	109.9	K269	K269-E271 PolarHBondContact O-N 3.43Å; K269-E271 VanDerWaalsContact O-N 3.12Å

Retrieved 271 of 271 residues in 580 ms (Link to these results)

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