A0A077Z861_TRITR Loading...

Pkinase Tyr domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z861, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 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	57.7	Low	67.8	Low	149 Å²	149	48.4 Å²	48.4	73%	0.734	26%	0.255	S	S	*	.				0	115.4	0	-174.7	172.1	173.7	0	0	107.8	T10 R119	M1-T10 HydrophobicContact SD-CG2 4.44Å; M1-T10 PolarHBondContact SD-OG1 3.01Å; M1-T10 VanDerWaalsContact SD-OG1 3.39Å; M1-R119 VanDerWaalsContact CE-CZ 3.5Å
2	I	67.4	Low	68.3	Low	146 Å²	146	53.3 Å²	53.3	75%	0.749	27%	0.267	S	S	*	.			trans	-83.5	129.3	178.7	-59.4	173.6	0	0	0	107.1	V4	I2-V4 HydrophobicContact CG2-CG2 4.18Å
3	L	71.6	Confident	68.6	Low	12 Å²	12	60.3 Å²	60.3	6%	0.063	30%	0.295	C	S	.	.			trans	-88.2	117.9	171.5	-57.1	175.5	0	0	0	107.6	E8 T10 S29 K31 V36	L3-E8 HydrophobicContact CB-CB 4.42Å; L3-E8 HydrophobicContact CD2-CB 4.09Å; L3-T10 HydrophobicContact CD2-CG2 4.08Å; L3-S29 WeakPolarHBondContact CD1-O 3.33Å; L3-K31 HydrophobicContact CB-CB 3.78Å; L3-K31 HydrophobicContact CB-CD 4.35Å; L3-K31 HydrophobicContact CD1-CB 4.33Å; L3-K31 VanDerWaalsContact O-CD 3.3Å; L3-K31 WeakPolarHBondContact O-CD 3.27Å; L3-K31 PolarHBondContact O-NZ 3.13Å; L3-V36 HydrophobicContact CB-CG2 4.36Å; L3-V36 HydrophobicContact CD1-CG1 3.92Å; L3-V36 HydrophobicContact CD1-CG2 4.33Å
4	V	72.3	Confident	68.9	Low	64 Å²	64	58 Å²	58	39%	0.388	29%	0.287	S	S	.	.			trans	-101.2	-39.2	-167.9	-177.6	0	0	0	0	111	I2 E8 K31 R353	I2-V4 HydrophobicContact CG2-CG2 4.18Å; V4-E8 WeakPolarHBondContact CA-OE2 3.33Å; V4-E8 PolarHBondContact N-OE2 3.44Å; V4-K31 WeakPolarHBondContact O-CE 3.46Å; V4-K31 PolarHBondContact O-NZ 3.32Å; V4-R353 VanDerWaalsContact CG1-NH1 3.27Å; V4-R353 PolarHBondContact O-NH2 3.22Å
5	D	68.1	Low	68.6	Low	51 Å²	51	60 Å²	60	27%	0.273	33%	0.328	S	S	.	.	S	Bend	trans	-118	156.2	-174.4	-59.2	-38.1	0	0	0	113.4	G7 E8 K31 R353	D5-G7 PolarHBondContact O-N 2.91Å; D5-E8 HydrophobicContact CB-CG 3.98Å; D5-E8 PolarHBondContact N-OE2 3.41Å; D5-E8 VanDerWaalsContact N-OE2 3.16Å; D5-E8 WeakPolarHBondContact O-CB 3.3Å; D5-E8 PolarHBondContact O-N 3.15Å; D5-K31 WeakPolarHBondContact O-CB 3.36Å; D5-R353 IonicContact OD1-CZ 2.71Å; D5-R353 IonicContact OD1-NH1 3.84Å; D5-R353 PolarHBondContact OD1-NH1 3.35Å; D5-R353 IonicContact OD1-NH2 3.66Å; D5-R353 PolarHBondContact OD1-NH2 3.02Å
6	N	64.9	Low	68.1	Low	43 Å²	43	67.7 Å²	67.7	23%	0.23	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	128.8	179.6	-81.7	-39.8	0	0	0	111	E8 L33 N34	N6-E8 VanDerWaalsContact C-N 3.27Å; N6-E8 PolarHBondContact O-N 3.3Å; N6-L33 PolarHBondContact OD1-N 3.25Å; N6-N34 PolarHBondContact OD1-N 2.84Å
7	G	60.6	Low	67.5	Low	4 Å²	4	68.9 Å²	68.9	4%	0.041	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	4.9	-175	0	0	0	0	0	115.5	D5 F9 K31 R122	D5-G7 PolarHBondContact O-N 2.91Å; G7-F9 PolarHBondContact O-N 3.23Å; G7-K31 WeakPolarHBondContact CA-O 3.43Å; G7-K31 PolarHBondContact N-O 2.78Å; G7-R122 VanDerWaalsContact CA-NH1 3.31Å; G7-R122 PolarHBondContact O-NE 3.4Å; G7-R122 PolarHBondContact O-NH1 2.99Å; G7-R122 PolarHBondContact O-NH2 3.46Å
8	E	66.7	Low	66.8	Low	40 Å²	40	67.4 Å²	67.4	19%	0.187	37%	0.367	C	S	.	.			trans	-57.7	135	160	-72	-163.3	135.3	0	0	110	L3 V4 D5 N6 V30 K31	L3-E8 HydrophobicContact CB-CB 4.42Å; L3-E8 HydrophobicContact CD2-CB 4.09Å; V4-E8 WeakPolarHBondContact CA-OE2 3.33Å; V4-E8 PolarHBondContact N-OE2 3.44Å; D5-E8 HydrophobicContact CB-CG 3.98Å; D5-E8 PolarHBondContact N-OE2 3.41Å; D5-E8 VanDerWaalsContact N-OE2 3.16Å; D5-E8 WeakPolarHBondContact O-CB 3.3Å; D5-E8 PolarHBondContact O-N 3.15Å; N6-E8 VanDerWaalsContact C-N 3.27Å; N6-E8 PolarHBondContact O-N 3.3Å; E8-V30 CarbonylContact O-C 3.53Å; E8-V30 VanDerWaalsContact O-CA 3.31Å; E8-V30 WeakPolarHBondContact O-CA 3.46Å; E8-K31 PolarHBondContact O-N 2.84Å
9	F	72.7	Confident	66.3	Low	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	160.4	175.8	73.2	-87	0	0	0	111.3	G7 V11 V28 S29 V30 F115 C118 R119 I135	G7-F9 PolarHBondContact O-N 3.23Å; F9-V11 HydrophobicContact CD2-CG2 4.28Å; F9-V11 HydrophobicContact CE2-CG2 4.32Å; F9-V28 HydrophobicContact CB-CG1 4.2Å; F9-V28 HydrophobicContact CD2-CG1 4.29Å; F9-S29 CarbonylContact C-O 3.32Å; F9-S29 WeakPolarHBondContact CA-O 3.44Å; F9-S29 WeakPolarHBondContact CB-O 3.16Å; F9-V30 HydrophobicContact CB-CB 3.92Å; F9-V30 HydrophobicContact CB-CG2 4.05Å; F9-F115 AromaticContact CE2-CD1 3.83Å; F9-F115 HydrophobicContact CE2-CD1 3.83Å; F9-F115 HydrophobicContact CE2-CE1 4.09Å; F9-F115 HydrophobicContact CZ-CD1 4.36Å; F9-C118 HydrophobicContact CE1-CB 4.34Å; F9-C118 HydrophobicContact CZ-CB 3.78Å; F9-R119 HydrophobicContact CD1-CG 4.35Å; F9-R119 HydrophobicContact CE1-CG 4.03Å; F9-R119 VanDerWaalsContact O-CZ 3.25Å; F9-R119 PolarHBondContact O-NE 3.28Å; F9-R119 PolarHBondContact O-NH2 3.36Å; F9-I135 HydrophobicContact CD2-CD1 3.75Å; F9-I135 HydrophobicContact CE1-CD1 4.47Å; F9-I135 HydrophobicContact CE2-CD1 3.22Å; F9-I135 HydrophobicContact CZ-CD1 3.64Å; F9-I135 HydrophobicContact CZ-CG2 4.22Å
10	T	72	Confident	66.1	Low	20 Å²	20	75.1 Å²	75.1	12%	0.123	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.8	169.3	-171.8	0	0	0	0	109.4	M1 L3 V28 S29	M1-T10 HydrophobicContact SD-CG2 4.44Å; M1-T10 PolarHBondContact SD-OG1 3.01Å; M1-T10 VanDerWaalsContact SD-OG1 3.39Å; L3-T10 HydrophobicContact CD2-CG2 4.08Å; T10-V28 WeakPolarHBondContact O-CA 3.43Å; T10-S29 PolarHBondContact N-O 2.76Å; T10-S29 PolarHBondContact O-N 2.8Å
11	V	71.4	Confident	66	Low	3 Å²	3	79 Å²	79	2%	0.018	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.3	176.5	-174	0	0	0	0	107.2	F9 L26 V28 R111 F115 I135 V137 V142	F9-V11 HydrophobicContact CD2-CG2 4.28Å; F9-V11 HydrophobicContact CE2-CG2 4.32Å; V11-L26 HydrophobicContact CG1-CD2 4.44Å; V11-V28 HydrophobicContact CG2-CG1 4.42Å; V11-V28 HydrophobicContact CG2-CG2 4.28Å; V11-R111 PolarHBondContact O-NH2 2.87Å; V11-F115 HydrophobicContact CB-CE1 4Å; V11-F115 HydrophobicContact CB-CZ 3.89Å; V11-F115 HydrophobicContact CG2-CE1 3.67Å; V11-F115 HydrophobicContact CG2-CZ 4.08Å; V11-I135 HydrophobicContact CG2-CD1 4.41Å; V11-V137 HydrophobicContact CG1-CB 4.38Å; V11-V137 HydrophobicContact CG1-CG1 4.26Å; V11-V137 HydrophobicContact CG2-CG1 3.63Å; V11-V142 HydrophobicContact CB-CG2 4.41Å; V11-V142 HydrophobicContact CG1-CG2 4.13Å
12	R	74	Confident	66.3	Low	107 Å²	107	77 Å²	77	40%	0.404	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.6	-177.1	63.4	-175.7	178.3	92.4	-3.4	111	C27 S29	R12-C27 HydrophobicContact CG-CB 4.19Å; R12-C27 PolarHBondContact N-O 3.3Å; R12-C27 PolarHBondContact O-N 2.69Å; R12-S29 PolarHBondContact NE-OG 3.37Å
13	K	73.1	Confident	66.2	Low	145 Å²	145	74.3 Å²	74.3	63%	0.63	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.3	165	-74	-178.2	179.9	177	0	109.6	N25 L26	K13-N25 CarbonylContact C-O 3.6Å; K13-N25 WeakPolarHBondContact CA-O 2.99Å; K13-L26 HydrophobicContact CG-CD2 3.76Å
14	T	71.5	Confident	66	Low	28 Å²	28	74.1 Å²	74.1	17%	0.172	38%	0.378	C	S	.	.			trans	-73.9	131.8	171.2	56.1	0	0	0	0	108.4	K16 N25 C27 L40	T14-K16 PolarHBondContact O-N 3.08Å; T14-K16 VanDerWaalsContact O-N 3.14Å; T14-K16 PolarHBondContact OG1-O 3.44Å; T14-N25 PolarHBondContact N-O 3.49Å; T14-N25 PolarHBondContact OG1-O 3.47Å; T14-C27 HydrophobicContact CG2-CB 3.8Å; T14-L40 HydrophobicContact CG2-CD2 3.57Å
15	G	64.4	Low	66	Low	88 Å²	88	74.6 Å²	74.6	91%	0.907	38%	0.378	S	S	*	.	S	Bend	trans	-66.9	-11.2	-178.9	0	0	0	0	0	114.4
16	K	60.8	Low	66	Low	183 Å²	183	72.6 Å²	72.6	80%	0.796	37%	0.367	S	S	*	.	S	Bend	trans	-111.8	133.2	168.3	-66	-178.5	178.9	179.9	0	107.4	T14 C18	T14-K16 PolarHBondContact O-N 3.08Å; T14-K16 VanDerWaalsContact O-N 3.14Å; T14-K16 PolarHBondContact OG1-O 3.44Å; K16-C18 PolarHBondContact O-N 2.83Å
17	S	58.6	Low	66.4	Low	89 Å²	89	70.8 Å²	70.8	62%	0.622	36%	0.358	S	S	*	.			trans	-56.2	126.1	167	49.3	0	0	0	0	107.9	R19 N25	S17-R19 PolarHBondContact O-N 3.45Å; S17-R19 VanDerWaalsContact O-N 3.09Å; S17-N25 WeakPolarHBondContact CA-OD1 3.25Å
18	C	55.1	Low	67.1	Low	41 Å²	41	70.7 Å²	70.7	28%	0.277	36%	0.356	S	S	.	.			trans	-64.5	115.3	173	-159.7	0	0	0	0	106.9	K16 S20 Y23 N25	K16-C18 PolarHBondContact O-N 2.83Å; C18-S20 PolarHBondContact O-N 3.32Å; C18-Y23 VanDerWaalsContact SG-CB 3.53Å; C18-N25 PolarHBondContact N-OD1 3.1Å
19	R	56.4	Low	67.5	Low	245 Å²	245	69 Å²	69	93%	0.925	35%	0.349	S	S	*	.	S	Bend	trans	-69.6	-9.6	178.3	-69.8	-174.4	177.6	-178	-2	112.7	S17	S17-R19 PolarHBondContact O-N 3.45Å; S17-R19 VanDerWaalsContact O-N 3.09Å
20	S	62.9	Low	67.6	Low	43 Å²	43	69.1 Å²	69.1	30%	0.301	35%	0.35	S	S	.	.			trans	-90.8	122	179	-176.5	0	0	0	0	110.2	C18 H22 Y23	C18-S20 PolarHBondContact O-N 3.32Å; S20-H22 PolarHBondContact O-N 2.74Å; S20-H22 PolarHBondContact OG-N 3.5Å; S20-Y23 PolarHBondContact O-N 2.92Å; S20-Y23 VanDerWaalsContact O-N 3.08Å
21	E	63.9	Low	67.7	Low	159 Å²	159	69.6 Å²	69.6	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.9	171.6	-63.2	-171.3	174.6	0	0	113.4
22	H	64.7	Low	67.7	Low	107 Å²	107	74.4 Å²	74.4	50%	0.495	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5	179.1	-57.8	-48.6	0	0	0	113.6	S20 R42 L43	S20-H22 PolarHBondContact O-N 2.74Å; S20-H22 PolarHBondContact OG-N 3.5Å; H22-R42 CarbonylContact O-C 3.55Å; H22-R42 VanDerWaalsContact O-CA 3.25Å; H22-R42 WeakPolarHBondContact O-CA 3.36Å; H22-R42 WeakPolarHBondContact O-CG 2.93Å; H22-L43 PolarHBondContact O-N 3.22Å
23	Y	64	Low	67.9	Low	89 Å²	89	74.7 Å²	74.7	35%	0.349	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.7	-177.1	-67.9	-88.1	0	0	0	111.1	C18 S20 L40 R42 L43	C18-Y23 VanDerWaalsContact SG-CB 3.53Å; S20-Y23 PolarHBondContact O-N 2.92Å; S20-Y23 VanDerWaalsContact O-N 3.08Å; Y23-L40 HydrophobicContact CD1-CB 4.06Å; Y23-R42 HydrophobicContact CD1-CB 4.05Å; Y23-R42 HydrophobicContact CD1-CG 4.29Å; Y23-R42 HydrophobicContact CE1-CB 3.96Å; Y23-R42 HydrophobicContact CE1-CG 4.08Å; Y23-L43 WeakPolarHBondContact O-CD1 3.47Å
24	S	67.8	Low	67.9	Low	7 Å²	7	73.2 Å²	73.2	5%	0.049	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	164.5	176.4	69.5	0	0	0	0	109.2	L26 I41	S24-L26 PolarHBondContact O-N 3.09Å; S24-L26 VanDerWaalsContact O-N 3.1Å; S24-L26 WeakPolarHBondContact OG-CB 3.44Å; S24-L26 PolarHBondContact OG-N 3.23Å; S24-L26 VanDerWaalsContact OG-N 3.13Å; S24-L26 PolarHBondContact OG-O 3.37Å; S24-I41 PolarHBondContact N-O 3.44Å; S24-I41 WeakPolarHBondContact OG-CB 3.4Å; S24-I41 PolarHBondContact OG-O 2.78Å
25	N	71.4	Confident	68.1	Low	74 Å²	74	79 Å²	79	40%	0.396	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	19	167.6	-65.6	-31.8	0	0	0	112	K13 T14 S17 C18	K13-N25 CarbonylContact C-O 3.6Å; K13-N25 WeakPolarHBondContact CA-O 2.99Å; T14-N25 PolarHBondContact N-O 3.49Å; T14-N25 PolarHBondContact OG1-O 3.47Å; S17-N25 WeakPolarHBondContact CA-OD1 3.25Å; C18-N25 PolarHBondContact N-OD1 3.1Å
26	L	68.9	Low	68.8	Low	10 Å²	10	78 Å²	78	5%	0.052	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.6	-177.1	-62.3	171.1	0	0	0	110.9	V11 K13 S24 I41 V137 E140	V11-L26 HydrophobicContact CG1-CD2 4.44Å; K13-L26 HydrophobicContact CG-CD2 3.76Å; S24-L26 PolarHBondContact O-N 3.09Å; S24-L26 VanDerWaalsContact O-N 3.1Å; S24-L26 WeakPolarHBondContact OG-CB 3.44Å; S24-L26 PolarHBondContact OG-N 3.23Å; S24-L26 VanDerWaalsContact OG-N 3.13Å; S24-L26 PolarHBondContact OG-O 3.37Å; L26-I41 HydrophobicContact CB-CD1 3.52Å; L26-I41 PolarHBondContact O-N 3.38Å; L26-I41 VanDerWaalsContact O-N 3.12Å; L26-V137 WeakPolarHBondContact CD1-O 3.34Å; L26-E140 HydrophobicContact CD1-CG 4.16Å; L26-E140 WeakPolarHBondContact CD2-OE1 2.83Å
27	C	74	Confident	69.5	Low	4 Å²	4	72.5 Å²	72.5	3%	0.027	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.9	177.2	177.9	0	0	0	0	108.8	R12 T14 V39 L40	R12-C27 HydrophobicContact CG-CB 4.19Å; R12-C27 PolarHBondContact N-O 3.3Å; R12-C27 PolarHBondContact O-N 2.69Å; T14-C27 HydrophobicContact CG2-CB 3.8Å; C27-V39 CarbonylContact C-O 3.39Å; C27-V39 WeakPolarHBondContact CA-O 3.47Å; C27-L40 HydrophobicContact CB-CD2 4.32Å
28	V	73.7	Confident	70.4	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.9	165.3	-166.2	0	0	0	0	108.3	F9 T10 V11 H38 V39 I41 F53 V137	F9-V28 HydrophobicContact CB-CG1 4.2Å; F9-V28 HydrophobicContact CD2-CG1 4.29Å; T10-V28 WeakPolarHBondContact O-CA 3.43Å; V11-V28 HydrophobicContact CG2-CG1 4.42Å; V11-V28 HydrophobicContact CG2-CG2 4.28Å; V28-H38 WeakPolarHBondContact O-CA 3.49Å; V28-V39 PolarHBondContact N-O 2.81Å; V28-V39 PolarHBondContact O-N 3.35Å; V28-I41 HydrophobicContact CG2-CD1 3.68Å; V28-I41 HydrophobicContact CG2-CG1 3.92Å; V28-F53 HydrophobicContact CB-CZ 4.02Å; V28-F53 HydrophobicContact CG1-CE1 4.27Å; V28-F53 HydrophobicContact CG1-CE2 3.86Å; V28-F53 HydrophobicContact CG1-CZ 3.42Å; V28-F53 VanDerWaalsContact CG1-CZ 3.42Å; V28-F53 HydrophobicContact CG2-CZ 4.32Å; V28-V137 HydrophobicContact CG2-CB 4.19Å; V28-V137 HydrophobicContact CG2-CG1 4.23Å; V28-V137 HydrophobicContact CG2-CG2 3.74Å
29	S	77	Confident	71	Confident	4 Å²	4	73.5 Å²	73.5	3%	0.028	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.2	169.1	-48.1	0	0	0	0	107.1	L3 F9 T10 R12 H37 H38	L3-S29 WeakPolarHBondContact CD1-O 3.33Å; F9-S29 CarbonylContact C-O 3.32Å; F9-S29 WeakPolarHBondContact CA-O 3.44Å; F9-S29 WeakPolarHBondContact CB-O 3.16Å; T10-S29 PolarHBondContact N-O 2.76Å; T10-S29 PolarHBondContact O-N 2.8Å; R12-S29 PolarHBondContact NE-OG 3.37Å; S29-H37 CarbonylContact C-O 3.56Å; S29-H37 VanDerWaalsContact CA-O 3.27Å; S29-H37 WeakPolarHBondContact CA-O 3.49Å; S29-H38 VanDerWaalsContact CB-ND1 3.33Å; S29-H38 WeakPolarHBondContact CB-ND1 3.36Å; S29-H38 PolarHBondContact OG-CE1 3.22Å; S29-H38 PolarHBondContact OG-ND1 3.22Å
30	V	74.4	Confident	71.5	Confident	3 Å²	3	66 Å²	66	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.1	179.4	59.8	0	0	0	0	109.5	E8 F9 V36 H37 F53 Y59	E8-V30 CarbonylContact O-C 3.53Å; E8-V30 VanDerWaalsContact O-CA 3.31Å; E8-V30 WeakPolarHBondContact O-CA 3.46Å; F9-V30 HydrophobicContact CB-CB 3.92Å; F9-V30 HydrophobicContact CB-CG2 4.05Å; V30-V36 CarbonylContact O-C 3.56Å; V30-V36 WeakPolarHBondContact O-CA 3.21Å; V30-H37 HydrophobicContact CG1-CB 4.1Å; V30-H37 PolarHBondContact N-O 2.97Å; V30-H37 PolarHBondContact O-N 2.89Å; V30-F53 HydrophobicContact CB-CD1 4.26Å; V30-F53 HydrophobicContact CB-CE1 4Å; V30-F53 HydrophobicContact CG1-CD1 4.23Å; V30-F53 HydrophobicContact CG1-CE1 3.78Å; V30-F53 HydrophobicContact CG2-CD1 3.99Å; V30-F53 HydrophobicContact CG2-CE1 4.26Å; V30-Y59 HydrophobicContact CG1-CE1 3.73Å; V30-Y59 WeakPolarHBondContact CG1-OH 3.05Å
31	K	73.5	Confident	71.6	Confident	30 Å²	30	64.2 Å²	64.2	13%	0.13	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.9	170.8	-178	165.5	-174.8	173.2	0	108.5	L3 V4 D5 G7 E8 K35	L3-K31 HydrophobicContact CB-CB 3.78Å; L3-K31 HydrophobicContact CB-CD 4.35Å; L3-K31 HydrophobicContact CD1-CB 4.33Å; L3-K31 VanDerWaalsContact O-CD 3.3Å; L3-K31 WeakPolarHBondContact O-CD 3.27Å; L3-K31 PolarHBondContact O-NZ 3.13Å; V4-K31 WeakPolarHBondContact O-CE 3.46Å; V4-K31 PolarHBondContact O-NZ 3.32Å; D5-K31 WeakPolarHBondContact O-CB 3.36Å; G7-K31 WeakPolarHBondContact CA-O 3.43Å; G7-K31 PolarHBondContact N-O 2.78Å; E8-K31 PolarHBondContact O-N 2.84Å; K31-K35 CarbonylContact C-O 3.53Å; K31-K35 VanDerWaalsContact CA-O 3.29Å; K31-K35 WeakPolarHBondContact CA-O 3.13Å
32	W	71.9	Confident	71.5	Confident	105 Å²	105	63.4 Å²	63.4	40%	0.398	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	135.4	174.8	-173.8	77.4	0	0	0	108.9	N34 K35	W32-N34 PolarHBondContact O-N 3.1Å; W32-K35 PolarHBondContact N-O 3.5Å; W32-K35 PolarHBondContact O-N 2.78Å; W32-K35 VanDerWaalsContact O-O 3.11Å
33	L	76.7	Confident	71.1	Confident	113 Å²	113	61.4 Å²	61.4	59%	0.592	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	48.4	-171	-61.4	-176.7	0	0	0	113	N6 K35	N6-L33 PolarHBondContact OD1-N 3.25Å; L33-K35 PolarHBondContact O-N 3.32Å
34	N	74.3	Confident	70.6	Confident	113 Å²	113	59.7 Å²	59.7	60%	0.604	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	13.1	-178.6	-73	-33.2	0	0	0	116.3	N6 W32	N6-N34 PolarHBondContact OD1-N 2.84Å; W32-N34 PolarHBondContact O-N 3.1Å
35	K	75.8	Confident	69.6	Low	149 Å²	149	69 Å²	69	65%	0.648	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.9	172.2	-67.3	-177	-179.3	178.8	0	110.5	K31 W32 L33 H37	K31-K35 CarbonylContact C-O 3.53Å; K31-K35 VanDerWaalsContact CA-O 3.29Å; K31-K35 WeakPolarHBondContact CA-O 3.13Å; W32-K35 PolarHBondContact N-O 3.5Å; W32-K35 PolarHBondContact O-N 2.78Å; W32-K35 VanDerWaalsContact O-O 3.11Å; L33-K35 PolarHBondContact O-N 3.32Å; K35-H37 PolarHBondContact O-CD2 3.12Å
36	V	79.3	Confident	68.1	Low	69 Å²	69	76 Å²	76	42%	0.418	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120	172.2	178.9	0	0	0	0	108.7	L3 V30 H38	L3-V36 HydrophobicContact CB-CG2 4.36Å; L3-V36 HydrophobicContact CD1-CG1 3.92Å; L3-V36 HydrophobicContact CD1-CG2 4.33Å; V30-V36 CarbonylContact O-C 3.56Å; V30-V36 WeakPolarHBondContact O-CA 3.21Å; V36-H38 VanDerWaalsContact CG1-CE1 3.47Å; V36-H38 WeakPolarHBondContact CG1-CE1 3.42Å
37	H	74.5	Confident	66.9	Low	67 Å²	67	77.6 Å²	77.6	31%	0.31	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.8	174.7	-63	-93.4	0	0	0	109.2	S29 V30 K35 Y59	S29-H37 CarbonylContact C-O 3.56Å; S29-H37 VanDerWaalsContact CA-O 3.27Å; S29-H37 WeakPolarHBondContact CA-O 3.49Å; V30-H37 HydrophobicContact CG1-CB 4.1Å; V30-H37 PolarHBondContact N-O 2.97Å; V30-H37 PolarHBondContact O-N 2.89Å; K35-H37 PolarHBondContact O-CD2 3.12Å; H37-Y59 WeakPolarHBondContact CB-OH 3.49Å
38	H	77.1	Confident	65.7	Low	111 Å²	111	79 Å²	79	51%	0.514	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.4	176.9	-62.5	-66.1	0	0	0	109.2	V28 S29 V36	V28-H38 WeakPolarHBondContact O-CA 3.49Å; S29-H38 VanDerWaalsContact CB-ND1 3.33Å; S29-H38 WeakPolarHBondContact CB-ND1 3.36Å; S29-H38 PolarHBondContact OG-CE1 3.22Å; S29-H38 PolarHBondContact OG-ND1 3.22Å; V36-H38 VanDerWaalsContact CG1-CE1 3.47Å; V36-H38 WeakPolarHBondContact CG1-CE1 3.42Å
39	V	68.3	Low	64.6	Low	40 Å²	40	80.2 Å²	80.2	24%	0.242	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.7	-178.5	-175.6	0	0	0	0	108.3	C27 V28 Y59 F61	C27-V39 CarbonylContact C-O 3.39Å; C27-V39 WeakPolarHBondContact CA-O 3.47Å; V28-V39 PolarHBondContact N-O 2.81Å; V28-V39 PolarHBondContact O-N 3.35Å; V39-Y59 HydrophobicContact CG2-CE1 4.16Å; V39-F61 HydrophobicContact CG1-CZ 4.23Å
40	L	67.6	Low	63.4	Low	86 Å²	86	80 Å²	80	45%	0.45	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.5	168.5	-73	172.6	0	0	0	108.9	T14 Y23 C27 R42	T14-L40 HydrophobicContact CG2-CD2 3.57Å; Y23-L40 HydrophobicContact CD1-CB 4.06Å; C27-L40 HydrophobicContact CB-CD2 4.32Å; L40-R42 PolarHBondContact O-N 3.01Å
41	I	64.9	Low	62.4	Low	6 Å²	6	80.3 Å²	80.3	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.1	-174.8	-58.8	149.2	0	0	0	109.1	S24 L26 V28 V137 D138	S24-I41 PolarHBondContact N-O 3.44Å; S24-I41 WeakPolarHBondContact OG-CB 3.4Å; S24-I41 PolarHBondContact OG-O 2.78Å; L26-I41 HydrophobicContact CB-CD1 3.52Å; L26-I41 PolarHBondContact O-N 3.38Å; L26-I41 VanDerWaalsContact O-N 3.12Å; V28-I41 HydrophobicContact CG2-CD1 3.68Å; V28-I41 HydrophobicContact CG2-CG1 3.92Å; I41-V137 HydrophobicContact CD1-CB 3.52Å; I41-V137 HydrophobicContact CD1-CG2 3.34Å; I41-V137 WeakPolarHBondContact CD1-O 3.31Å; I41-V137 HydrophobicContact CG1-CB 4.42Å; I41-V137 HydrophobicContact CG1-CG2 3.7Å; I41-V137 HydrophobicContact CG2-CG2 4.25Å; I41-D138 HydrophobicContact CG2-CB 3.44Å; I41-D138 VanDerWaalsContact CG2-CB 3.44Å
42	R	61.3	Low	61.5	Low	142 Å²	142	79.4 Å²	79.4	54%	0.536	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126	179.3	-163.7	-179.1	177.5	167.5	-0.7	110.2	H22 Y23 L40 N49	H22-R42 CarbonylContact O-C 3.55Å; H22-R42 VanDerWaalsContact O-CA 3.25Å; H22-R42 WeakPolarHBondContact O-CA 3.36Å; H22-R42 WeakPolarHBondContact O-CG 2.93Å; Y23-R42 HydrophobicContact CD1-CB 4.05Å; Y23-R42 HydrophobicContact CD1-CG 4.29Å; Y23-R42 HydrophobicContact CE1-CB 3.96Å; Y23-R42 HydrophobicContact CE1-CG 4.08Å; L40-R42 PolarHBondContact O-N 3.01Å; R42-N49 PolarHBondContact O-ND2 2.88Å
43	L	55.9	Low	60.4	Low	66 Å²	66	75 Å²	75	35%	0.346	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-77.2	133.2	167.6	-69.1	171	0	0	0	109.2	H22 Y23 D138	H22-L43 PolarHBondContact O-N 3.22Å; Y23-L43 WeakPolarHBondContact O-CD1 3.47Å; L43-D138 WeakPolarHBondContact CD2-O 3.39Å
44	S	53.2	Low	59.1	Low	53 Å²	53	73.5 Å²	73.5	37%	0.371	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-130.9	127.1	165.7	172.4	0	0	0	0	108.4	R46 V47	S44-R46 PolarHBondContact O-N 2.96Å; S44-V47 PolarHBondContact O-N 3.06Å; S44-V47 WeakPolarHBondContact OG-CB 3.22Å; S44-V47 PolarHBondContact OG-N 3.17Å
45	K	47.3	Very low	57.4	Low	201 Å²	201	72 Å²	72	87%	0.874	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.3	-178	-67.5	-176.5	178.1	176.6	0	113.8
46	R	40.2	Very low	55.7	Low	223 Å²	223	70 Å²	70	84%	0.842	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-0.2	-179.5	-63.7	-174.2	-179.3	179.9	0.3	114.2	S44	S44-R46 PolarHBondContact O-N 2.96Å
47	V	43.5	Very low	53.7	Low	43 Å²	43	70.2 Å²	70.2	26%	0.261	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-131	118.9	-173.5	178.4	0	0	0	0	109.4	S44 K63	S44-V47 PolarHBondContact O-N 3.06Å; S44-V47 WeakPolarHBondContact OG-CB 3.22Å; S44-V47 PolarHBondContact OG-N 3.17Å; V47-K63 WeakPolarHBondContact CG1-O 3.44Å
48	I	49.6	Very low	51.9	Low	33 Å²	33	68.2 Å²	68.2	17%	0.169	35%	0.354	C	S	.	.			trans	-82.1	109.5	165.8	-62.7	-178.7	0	0	0	107.9	I50 I136 D138	I48-I50 PolarHBondContact O-N 3.02Å; I48-I136 HydrophobicContact CG2-CB 4.27Å; I48-I136 HydrophobicContact CG2-CD1 4.07Å; I48-I136 HydrophobicContact CG2-CG1 4.09Å; I48-I136 HydrophobicContact CG2-CG2 3.23Å; I48-D138 VanDerWaalsContact C-OD2 3.31Å; I48-D138 WeakPolarHBondContact CA-OD2 3.39Å
49	N	50.1	Low	50.2	Low	27 Å²	27	67.1 Å²	67.1	14%	0.144	35%	0.346	C	S	.	.			trans	-79.6	109.6	178	-75.6	-41.5	0	0	0	109.6	R42 F61 D138	R42-N49 PolarHBondContact O-ND2 2.88Å; N49-F61 HydrophobicContact CB-CD1 4.48Å; N49-D138 PolarHBondContact N-OD2 3.16Å
50	I	52.2	Low	48.9	Very low	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.7	167.5	-43.4	-177.4	0	0	0	107.5	I48 V52 L62 I65 M86 I135 I136 V145	I48-I50 PolarHBondContact O-N 3.02Å; I50-V52 HydrophobicContact CB-CG2 4.26Å; I50-V52 HydrophobicContact CG2-CG2 3.62Å; I50-V52 PolarHBondContact O-N 2.9Å; I50-L62 HydrophobicContact CB-CB 4.04Å; I50-L62 HydrophobicContact CD1-CB 3.79Å; I50-L62 HydrophobicContact CD1-CD1 4.01Å; I50-L62 HydrophobicContact CG1-CB 4.09Å; I50-L62 PolarHBondContact O-N 3.29Å; I50-I65 HydrophobicContact CD1-CD1 3.22Å; I50-I65 HydrophobicContact CD1-CG1 3.65Å; I50-I65 HydrophobicContact CG1-CD1 3.8Å; I50-I65 HydrophobicContact CG1-CG1 4.23Å; I50-M86 HydrophobicContact CD1-CG 3.73Å; I50-M86 HydrophobicContact CD1-SD 3.46Å; I50-M86 WeakPolarHBondContact CD1-SD 3.36Å; I50-I135 WeakPolarHBondContact CA-O 3.28Å; I50-I135 WeakPolarHBondContact CG2-O 3.47Å; I50-I136 HydrophobicContact CG1-CG1 4.17Å; I50-V145 HydrophobicContact CG2-CG2 4.35Å
51	A	54.1	Low	47.9	Very low	9 Å²	9	68.6 Å²	68.6	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	98.7	164.1	0	0	0	0	0	107.2	F53 I135 V137	A51-F53 HydrophobicContact CB-CD2 4.23Å; A51-F53 HydrophobicContact CB-CE2 3.37Å; A51-F53 HydrophobicContact CB-CZ 3.71Å; A51-F53 WeakPolarHBondContact O-CD2 3.42Å; A51-I135 HydrophobicContact CB-CG1 4.42Å; A51-I135 PolarHBondContact N-O 3.29Å; A51-I135 WeakPolarHBondContact O-CG1 3.46Å; A51-I135 PolarHBondContact O-N 2.77Å; A51-V137 HydrophobicContact CB-CG2 3.91Å
52	V	52.7	Low	47.1	Very low	12 Å²	12	69 Å²	69	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.7	172.1	179	0	0	0	0	108.1	I50 N54 S60 L62 V133	I50-V52 HydrophobicContact CB-CG2 4.26Å; I50-V52 HydrophobicContact CG2-CG2 3.62Å; I50-V52 PolarHBondContact O-N 2.9Å; V52-N54 HydrophobicContact CG1-CB 4.24Å; V52-S60 PolarHBondContact N-O 3.45Å; V52-S60 PolarHBondContact O-N 2.82Å; V52-L62 HydrophobicContact CG2-CD1 3.43Å; V52-L62 VanDerWaalsContact CG2-CD1 3.43Å; V52-L62 HydrophobicContact CG2-CG 3.68Å; V52-V133 VanDerWaalsContact CG1-O 3.31Å; V52-V133 WeakPolarHBondContact CG1-O 3.45Å
53	F	50.5	Low	46.5	Very low	12 Å²	12	69.1 Å²	69.1	5%	0.053	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	78.4	172.1	-58.8	-84.7	0	0	0	108.4	V28 V30 A51 Y59 R122 I135	V28-F53 HydrophobicContact CB-CZ 4.02Å; V28-F53 HydrophobicContact CG1-CE1 4.27Å; V28-F53 HydrophobicContact CG1-CE2 3.86Å; V28-F53 HydrophobicContact CG1-CZ 3.42Å; V28-F53 VanDerWaalsContact CG1-CZ 3.42Å; V28-F53 HydrophobicContact CG2-CZ 4.32Å; V30-F53 HydrophobicContact CB-CD1 4.26Å; V30-F53 HydrophobicContact CB-CE1 4Å; V30-F53 HydrophobicContact CG1-CD1 4.23Å; V30-F53 HydrophobicContact CG1-CE1 3.78Å; V30-F53 HydrophobicContact CG2-CD1 3.99Å; V30-F53 HydrophobicContact CG2-CE1 4.26Å; A51-F53 HydrophobicContact CB-CD2 4.23Å; A51-F53 HydrophobicContact CB-CE2 3.37Å; A51-F53 HydrophobicContact CB-CZ 3.71Å; A51-F53 WeakPolarHBondContact O-CD2 3.42Å; F53-Y59 HydrophobicContact CD1-CD1 4.17Å; F53-Y59 HydrophobicContact CD1-CE1 4.04Å; F53-Y59 AromaticContact CE1-CD1 3.86Å; F53-Y59 HydrophobicContact CE1-CD1 3.86Å; F53-Y59 AromaticContact CE1-CE1 3.58Å; F53-Y59 HydrophobicContact CE1-CE1 3.58Å; F53-R122 VanDerWaalsContact O-CD 3.3Å; F53-R122 WeakPolarHBondContact O-CD 3.34Å; F53-R122 WeakPolarHBondContact O-CG 3.44Å; F53-I135 HydrophobicContact CD2-CD1 4.17Å; F53-I135 HydrophobicContact CD2-CG1 4.27Å; F53-I135 HydrophobicContact CE2-CD1 3.88Å; F53-I135 HydrophobicContact CE2-CG1 4.13Å
54	N	48.3	Very low	46.3	Very low	82 Å²	82	69.4 Å²	69.4	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.4	170.7	-165	-22.5	0	0	0	109.1	V52 S56	V52-N54 HydrophobicContact CG1-CB 4.24Å; N54-S56 VanDerWaalsContact C-N 3.27Å; N54-S56 PolarHBondContact O-N 2.94Å; N54-S56 PolarHBondContact OD1-N 2.83Å; N54-S56 PolarHBondContact OD1-OG 2.92Å
55	M	39.9	Very low	46.3	Very low	80 Å²	80	67 Å²	67	39%	0.394	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.5	-177.1	-63.3	-160.7	-50.8	0	0	112.8
56	S	39.8	Very low	46.3	Very low	108 Å²	108	58.9 Å²	58.9	76%	0.755	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-21.8	-175.1	56.4	0	0	0	0	114.7	N54	N54-S56 VanDerWaalsContact C-N 3.27Å; N54-S56 PolarHBondContact O-N 2.94Å; N54-S56 PolarHBondContact OD1-N 2.83Å; N54-S56 PolarHBondContact OD1-OG 2.92Å
57	A	36.5	Very low	46.8	Very low	74 Å²	74	51.9 Å²	51.9	61%	0.612	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	1.8	-166.6	0	0	0	0	0	115.2
58	G	37.5	Very low	46.7	Very low	24 Å²	24	59 Å²	59	25%	0.247	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.5	-169.3	-172	0	0	0	0	0	112.4	S60	G58-S60 PolarHBondContact O-N 3.46Å
59	Y	40.8	Very low	46.4	Very low	89 Å²	89	59.7 Å²	59.7	35%	0.349	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.6	-176.2	-61.1	-102.8	0	0	0	110.4	V30 H37 V39 F53	V30-Y59 HydrophobicContact CG1-CE1 3.73Å; V30-Y59 WeakPolarHBondContact CG1-OH 3.05Å; H37-Y59 WeakPolarHBondContact CB-OH 3.49Å; V39-Y59 HydrophobicContact CG2-CE1 4.16Å; F53-Y59 HydrophobicContact CD1-CD1 4.17Å; F53-Y59 HydrophobicContact CD1-CE1 4.04Å; F53-Y59 AromaticContact CE1-CD1 3.86Å; F53-Y59 HydrophobicContact CE1-CD1 3.86Å; F53-Y59 AromaticContact CE1-CE1 3.58Å; F53-Y59 HydrophobicContact CE1-CE1 3.58Å
60	S	42.1	Very low	46	Very low	43 Å²	43	63.3 Å²	63.3	30%	0.301	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.6	162.3	55	0	0	0	0	109.7	V52 G58	V52-S60 PolarHBondContact N-O 3.45Å; V52-S60 PolarHBondContact O-N 2.82Å; G58-S60 PolarHBondContact O-N 3.46Å
61	F	44.9	Very low	45.7	Very low	114 Å²	114	68 Å²	68	50%	0.5	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.2	167.7	-72	-82.8	0	0	0	107.3	V39 N49	V39-F61 HydrophobicContact CG1-CZ 4.23Å; N49-F61 HydrophobicContact CB-CD1 4.48Å
62	L	49.3	Very low	45.5	Very low	14 Å²	14	72 Å²	72	7%	0.073	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.4	170.2	-64.6	179.2	0	0	0	109.1	I50 V52 H64 M86	I50-L62 HydrophobicContact CB-CB 4.04Å; I50-L62 HydrophobicContact CD1-CB 3.79Å; I50-L62 HydrophobicContact CD1-CD1 4.01Å; I50-L62 HydrophobicContact CG1-CB 4.09Å; I50-L62 PolarHBondContact O-N 3.29Å; V52-L62 HydrophobicContact CG2-CD1 3.43Å; V52-L62 VanDerWaalsContact CG2-CD1 3.43Å; V52-L62 HydrophobicContact CG2-CG 3.68Å; L62-H64 PolarHBondContact O-N 2.73Å; L62-M86 HydrophobicContact CD1-CE 3.56Å; L62-M86 HydrophobicContact CD1-CG 4.05Å; L62-M86 HydrophobicContact CD1-SD 3.27Å; L62-M86 WeakPolarHBondContact CD1-SD 3.17Å
63	K	47.8	Very low	45.6	Very low	144 Å²	144	77.1 Å²	77.1	63%	0.626	42%	0.423	S	S	*	.			trans	-81.3	-12.5	-159.8	-78.4	-178.2	176.5	175	0	114.6	V47	V47-K63 WeakPolarHBondContact CG1-O 3.44Å
64	H	52.7	Low	46	Very low	72 Å²	72	80.4 Å²	80.4	33%	0.333	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	131.2	-175	-160.3	-114.7	0	0	0	112.5	L62 S66 M86 V87	L62-H64 PolarHBondContact O-N 2.73Å; H64-S66 WeakPolarHBondContact CE1-CB 3.27Å; H64-M86 WeakPolarHBondContact O-CA 2.99Å; H64-V87 HydrophobicContact CB-CB 4.18Å; H64-V87 HydrophobicContact CB-CG2 3.99Å; H64-V87 PolarHBondContact O-N 2.79Å; H64-V87 VanDerWaalsContact O-N 3.15Å
65	I	52.8	Low	46.2	Very low	4 Å²	4	85 Å²	85	2%	0.021	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.2	150.3	-80	171.8	0	0	0	107.3	I50 A84 S85 M86 V96 V98 I136 V145	I50-I65 HydrophobicContact CD1-CD1 3.22Å; I50-I65 HydrophobicContact CD1-CG1 3.65Å; I50-I65 HydrophobicContact CG1-CD1 3.8Å; I50-I65 HydrophobicContact CG1-CG1 4.23Å; I65-A84 HydrophobicContact CG2-CB 3.82Å; I65-S85 WeakPolarHBondContact CA-O 3.4Å; I65-M86 HydrophobicContact CG1-CB 4.11Å; I65-M86 HydrophobicContact CG1-CG 4.2Å; I65-V96 HydrophobicContact CD1-CG2 4.42Å; I65-V98 HydrophobicContact CD1-CG2 4.42Å; I65-I136 HydrophobicContact CD1-CD1 3.46Å; I65-I136 VanDerWaalsContact CD1-CD1 3.46Å; I65-I136 HydrophobicContact CD1-CG1 4.09Å; I65-V145 HydrophobicContact CD1-CG1 4.24Å; I65-V145 HydrophobicContact CD1-CG2 3.91Å
66	S	48	Very low	46.9	Very low	29 Å²	29	83.3 Å²	83.3	20%	0.203	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.2	171.9	103.5	0	0	0	0	108.7	H64 K68 S85	H64-S66 WeakPolarHBondContact CE1-CB 3.27Å; S66-K68 PolarHBondContact O-N 2.96Å; S66-K68 VanDerWaalsContact O-N 3.1Å; S66-K68 PolarHBondContact OG-N 3.04Å; S66-S85 PolarHBondContact N-O 3.45Å
67	N	49.8	Very low	47.5	Very low	76 Å²	76	83.6 Å²	83.6	41%	0.406	45%	0.45	S	S	.	.			trans	-74.3	16.1	170.5	-79.6	-19.1	0	0	0	112.8	S69	N67-S69 PolarHBondContact O-N 2.92Å
68	K	42.4	Very low	48.2	Very low	194 Å²	194	80.9 Å²	80.9	84%	0.843	43%	0.425	S	S	*	.			trans	-75.6	16.6	-172.3	-80.9	-169.1	171.7	-174.5	0	115.3	S66	S66-K68 PolarHBondContact O-N 2.96Å; S66-K68 VanDerWaalsContact O-N 3.1Å; S66-K68 PolarHBondContact OG-N 3.04Å
69	S	41.7	Very low	49.3	Very low	46 Å²	46	80 Å²	80	32%	0.322	42%	0.415	S	S	.	.			trans	-135.4	70.2	174.1	-171.6	0	0	0	0	111.8	N67 S71	N67-S69 PolarHBondContact O-N 2.92Å; S69-S71 PolarHBondContact O-N 2.96Å; S69-S71 VanDerWaalsContact O-N 3.17Å
70	S	42.1	Very low	50.7	Low	104 Å²	104	78.3 Å²	78.3	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	21.7	-177.4	48.5	0	0	0	0	115.5
71	S	47	Very low	52.5	Low	98 Å²	98	78 Å²	78	69%	0.685	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-24.7	-172.2	56.5	0	0	0	0	115.3	S69	S69-S71 PolarHBondContact O-N 2.96Å; S69-S71 VanDerWaalsContact O-N 3.17Å
72	L	50.2	Low	54.1	Low	92 Å²	92	75.7 Å²	75.7	48%	0.482	39%	0.394	S	S	.	.			trans	-119	109.8	179	-117.6	89.6	0	0	0	111.9	F74	L72-F74 HydrophobicContact CD2-CD2 4.46Å; L72-F74 HydrophobicContact CD2-CE2 3.48Å; L72-F74 VanDerWaalsContact CD2-CE2 3.48Å; L72-F74 HydrophobicContact CD2-CZ 3.6Å; L72-F74 HydrophobicContact CG-CE2 4.46Å
73	K	54	Low	55.6	Low	120 Å²	120	78.1 Å²	78.1	52%	0.522	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.1	172.5	-66.1	-174.3	176.3	-164.5	0	108.9	E80	K73-E80 IonicContact NZ-OE2 2.88Å
74	F	58.3	Low	57.1	Low	82 Å²	82	71.2 Å²	71.2	36%	0.36	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.6	164.4	-65.9	-77.8	0	0	0	109.1	L72 E80 V81	L72-F74 HydrophobicContact CD2-CD2 4.46Å; L72-F74 HydrophobicContact CD2-CE2 3.48Å; L72-F74 VanDerWaalsContact CD2-CE2 3.48Å; L72-F74 HydrophobicContact CD2-CZ 3.6Å; L72-F74 HydrophobicContact CG-CE2 4.46Å; F74-E80 WeakPolarHBondContact O-CA 3.45Å; F74-V81 HydrophobicContact CB-CB 4.46Å; F74-V81 PolarHBondContact N-O 3.14Å; F74-V81 PolarHBondContact O-N 3.31Å
75	K	53.7	Low	58.2	Low	178 Å²	178	69.5 Å²	69.5	77%	0.774	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.3	172.7	-72.4	-175.7	176.7	-179.6	0	108.7
76	G	54.6	Low	59.4	Low	44 Å²	44	69.9 Å²	69.9	45%	0.454	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	176.6	171.2	0	0	0	0	0	112	F78 G79	G76-F78 PolarHBondContact O-N 2.92Å; G76-G79 PolarHBondContact N-O 2.83Å; G76-G79 PolarHBondContact O-N 2.77Å
77	N	51.8	Low	60.6	Low	114 Å²	114	69.6 Å²	69.6	61%	0.61	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.7	179.4	-79.6	-19.3	0	0	0	113.3
78	F	50.6	Low	61.7	Low	18 Å²	18	67.1 Å²	67.1	8%	0.079	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-2.6	-174.6	-63.6	-76.5	0	0	0	114.7	G76 Q113 D210 M213	G76-F78 PolarHBondContact O-N 2.92Å; F78-Q113 HydrophobicContact CE1-CB 4.31Å; F78-D210 WeakPolarHBondContact CE2-OD1 3.09Å; F78-M213 HydrophobicContact CZ-CG 4.2Å
79	G	61.1	Low	63.1	Low	4 Å²	4	63 Å²	63	4%	0.041	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142	-163.5	-176.6	0	0	0	0	0	113.9	G76	G76-G79 PolarHBondContact N-O 2.83Å; G76-G79 PolarHBondContact O-N 2.77Å
80	E	70.3	Confident	64.7	Low	55 Å²	55	64 Å²	64	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.8	177.2	-57.9	-169.2	165.3	0	0	110.1	K73 F74 W82 L100	K73-E80 IonicContact NZ-OE2 2.88Å; F74-E80 WeakPolarHBondContact O-CA 3.45Å; E80-W82 PolarHBondContact OE2-NE1 2.98Å; E80-L100 WeakPolarHBondContact O-CD1 3.47Å; E80-L100 PolarHBondContact O-N 2.82Å
81	V	78.9	Confident	66.3	Low	36 Å²	36	65.2 Å²	65.2	22%	0.218	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.3	167.7	-176.3	0	0	0	0	108	F74 A97 V98 K99	F74-V81 HydrophobicContact CB-CB 4.46Å; F74-V81 PolarHBondContact N-O 3.14Å; F74-V81 PolarHBondContact O-N 3.31Å; V81-A97 HydrophobicContact CG1-CB 4.08Å; V81-V98 CarbonylContact C-O 3.45Å; V81-V98 WeakPolarHBondContact CA-O 3.33Å; V81-K99 HydrophobicContact CG2-CB 4.16Å; V81-K99 HydrophobicContact CG2-CG 4.12Å
82	W	80.1	Confident	67.8	Low	65 Å²	65	66.4 Å²	66.4	25%	0.246	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146	-179.3	-61.8	-1.3	0	0	0	110.4	E80 A97 V98 L100	E80-W82 PolarHBondContact OE2-NE1 2.98Å; W82-A97 CarbonylContact O-C 3.46Å; W82-A97 WeakPolarHBondContact O-CA 3.11Å; W82-V98 PolarHBondContact N-O 3.31Å; W82-V98 PolarHBondContact O-N 3.3Å; W82-L100 HydrophobicContact CB-CD1 4.4Å; W82-L100 HydrophobicContact CD2-CD1 3.52Å; W82-L100 HydrophobicContact CD2-CD2 4.35Å; W82-L100 HydrophobicContact CE3-CD1 4.08Å; W82-L100 HydrophobicContact CE3-CD2 4.39Å; W82-L100 HydrophobicContact CG-CD1 3.66Å; W82-L100 HydrophobicContact CH2-CD2 3.75Å; W82-L100 HydrophobicContact CZ2-CD1 4.16Å; W82-L100 HydrophobicContact CZ2-CD2 3.69Å; W82-L100 HydrophobicContact CZ3-CD2 4.11Å
83	K	80.3	Confident	69.1	Low	65 Å²	65	66.8 Å²	66.8	28%	0.283	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.8	163.5	176.8	172.6	175.3	171.6	0	109	E95 L148	K83-E95 WeakPolarHBondContact CE-OE1 3.5Å; K83-E95 VanDerWaalsContact CE-OE2 3.28Å; K83-E95 WeakPolarHBondContact CE-OE2 3.46Å; K83-E95 IonicContact NZ-OE1 2.95Å; K83-E95 PolarHBondContact NZ-OE1 2.97Å; K83-E95 IonicContact NZ-OE2 3.58Å; K83-E95 PolarHBondContact NZ-OE2 2.92Å; K83-L148 HydrophobicContact CD-CD2 3.83Å; K83-L148 HydrophobicContact CG-CD1 4.44Å; K83-L148 HydrophobicContact CG-CD2 3.89Å
84	A	78.9	Confident	70.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.2	176.7	0	0	0	0	0	112.3	I65 E95 V96 V98	I65-A84 HydrophobicContact CG2-CB 3.82Å; A84-E95 WeakPolarHBondContact O-CA 3.3Å; A84-V96 HydrophobicContact CB-CG2 4.08Å; A84-V96 PolarHBondContact N-O 2.86Å; A84-V96 PolarHBondContact O-N 2.66Å; A84-V98 HydrophobicContact CB-CG2 3.84Å
85	S	75.9	Confident	71.6	Confident	36 Å²	36	64.4 Å²	64.4	25%	0.252	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131	173.6	-54.7	0	0	0	0	109.8	I65 S66 V94	I65-S85 WeakPolarHBondContact CA-O 3.4Å; S66-S85 PolarHBondContact N-O 3.45Å; S85-V94 WeakPolarHBondContact CA-O 3.45Å
86	M	77.1	Confident	73.2	Confident	11 Å²	11	56 Å²	56	5%	0.054	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.5	-177.2	-177.3	179.9	80.8	0	0	110.1	I50 L62 H64 I65 T93 V94 V96 V133 V145	I50-M86 HydrophobicContact CD1-CG 3.73Å; I50-M86 HydrophobicContact CD1-SD 3.46Å; I50-M86 WeakPolarHBondContact CD1-SD 3.36Å; L62-M86 HydrophobicContact CD1-CE 3.56Å; L62-M86 HydrophobicContact CD1-CG 4.05Å; L62-M86 HydrophobicContact CD1-SD 3.27Å; L62-M86 WeakPolarHBondContact CD1-SD 3.17Å; H64-M86 WeakPolarHBondContact O-CA 2.99Å; I65-M86 HydrophobicContact CG1-CB 4.11Å; I65-M86 HydrophobicContact CG1-CG 4.2Å; M86-T93 WeakPolarHBondContact O-CA 3.4Å; M86-V94 HydrophobicContact CB-CG2 4.11Å; M86-V94 HydrophobicContact CE-CG2 3.52Å; M86-V94 PolarHBondContact N-O 2.91Å; M86-V94 PolarHBondContact O-N 2.88Å; M86-V96 HydrophobicContact CB-CG1 3.91Å; M86-V96 HydrophobicContact CB-CG2 3.95Å; M86-V96 HydrophobicContact CE-CG1 3.91Å; M86-V96 HydrophobicContact SD-CG1 3.94Å; M86-V133 HydrophobicContact CE-CG1 3.54Å; M86-V133 HydrophobicContact SD-CG1 3.59Å; M86-V133 VanDerWaalsContact SD-CG1 3.59Å; M86-V145 HydrophobicContact SD-CG1 4.34Å
87	V	74.4	Confident	74.7	Confident	23 Å²	23	54.4 Å²	54.4	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.7	174.7	-177.9	0	0	0	0	109.8	H64 E92	H64-V87 HydrophobicContact CB-CB 4.18Å; H64-V87 HydrophobicContact CB-CG2 3.99Å; H64-V87 PolarHBondContact O-N 2.79Å; H64-V87 VanDerWaalsContact O-N 3.15Å; V87-E92 CarbonylContact C-O 3.55Å; V87-E92 WeakPolarHBondContact CA-O 3.48Å
88	T	72.9	Confident	76.2	Confident	24 Å²	24	49 Å²	49	15%	0.147	28%	0.276	C	S	.	.			trans	-74.3	170.2	180	71.2	0	0	0	0	111.8	A90 N91 E92 V94	T88-A90 PolarHBondContact O-N 2.83Å; T88-A90 PolarHBondContact OG1-N 2.83Å; T88-N91 PolarHBondContact O-N 3.31Å; T88-E92 HydrophobicContact CG2-CB 4.49Å; T88-E92 PolarHBondContact N-O 3Å; T88-E92 PolarHBondContact OG1-N 2.75Å; T88-E92 PolarHBondContact OG1-O 3.5Å; T88-V94 HydrophobicContact CG2-CG1 3.87Å; T88-V94 HydrophobicContact CG2-CG2 3.84Å
89	S	70.7	Confident	77.8	Confident	107 Å²	107	48.9 Å²	48.9	75%	0.748	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.3	171.4	47.3	0	0	0	0	113	N91	S89-N91 PolarHBondContact O-N 3.37Å
90	A	75.9	Confident	78.7	Confident	68 Å²	68	49.5 Å²	49.5	56%	0.562	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	6.4	174	0	0	0	0	0	113.5	T88 E92	T88-A90 PolarHBondContact O-N 2.83Å; T88-A90 PolarHBondContact OG1-N 2.83Å; A90-E92 HydrophobicContact CB-CG 4.21Å; A90-E92 PolarHBondContact O-N 3.44Å
91	N	76.6	Confident	78.7	Confident	129 Å²	129	47.5 Å²	47.5	69%	0.69	27%	0.268	S	S	*	.	S	Bend	trans	63.7	22.5	-177.3	-154	53.8	0	0	0	114.1	T88 S89	T88-N91 PolarHBondContact O-N 3.31Å; S89-N91 PolarHBondContact O-N 3.37Å
92	E	76.7	Confident	78.1	Confident	124 Å²	124	51.7 Å²	51.7	58%	0.579	28%	0.284	S	S	*	.			trans	-89.6	144.1	173.3	-59.1	175.3	142.4	0	0	110	V87 T88 A90	V87-E92 CarbonylContact C-O 3.55Å; V87-E92 WeakPolarHBondContact CA-O 3.48Å; T88-E92 HydrophobicContact CG2-CB 4.49Å; T88-E92 PolarHBondContact N-O 3Å; T88-E92 PolarHBondContact OG1-N 2.75Å; T88-E92 PolarHBondContact OG1-O 3.5Å; A90-E92 HydrophobicContact CB-CG 4.21Å; A90-E92 PolarHBondContact O-N 3.44Å
93	T	79	Confident	77.3	Confident	100 Å²	100	53 Å²	53	61%	0.613	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.6	173.8	-60.6	0	0	0	0	109.6	M86	M86-T93 WeakPolarHBondContact O-CA 3.4Å
94	V	81.7	Confident	76.5	Confident	52 Å²	52	57.2 Å²	57.2	32%	0.315	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.4	176.7	-60.3	0	0	0	0	110.7	S85 M86 T88 V96	S85-V94 WeakPolarHBondContact CA-O 3.45Å; M86-V94 HydrophobicContact CB-CG2 4.11Å; M86-V94 HydrophobicContact CE-CG2 3.52Å; M86-V94 PolarHBondContact N-O 2.91Å; M86-V94 PolarHBondContact O-N 2.88Å; T88-V94 HydrophobicContact CG2-CG1 3.87Å; T88-V94 HydrophobicContact CG2-CG2 3.84Å; V94-V96 HydrophobicContact CG2-CG1 4.37Å
95	E	83.2	Confident	75.7	Confident	99 Å²	99	61 Å²	61	46%	0.463	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.3	175.9	-54.6	-164.8	127.1	0	0	111.4	K83 A84 L148	K83-E95 WeakPolarHBondContact CE-OE1 3.5Å; K83-E95 VanDerWaalsContact CE-OE2 3.28Å; K83-E95 WeakPolarHBondContact CE-OE2 3.46Å; K83-E95 IonicContact NZ-OE1 2.95Å; K83-E95 PolarHBondContact NZ-OE1 2.97Å; K83-E95 IonicContact NZ-OE2 3.58Å; K83-E95 PolarHBondContact NZ-OE2 2.92Å; A84-E95 WeakPolarHBondContact O-CA 3.3Å; E95-L148 HydrophobicContact CB-CB 4.36Å; E95-L148 HydrophobicContact CB-CD2 3.61Å
96	V	86.2	Confident	75.2	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.9	-176.7	-63.9	0	0	0	0	111.6	I65 A84 M86 V94 V98 V133 V145 M146	I65-V96 HydrophobicContact CD1-CG2 4.42Å; A84-V96 HydrophobicContact CB-CG2 4.08Å; A84-V96 PolarHBondContact N-O 2.86Å; A84-V96 PolarHBondContact O-N 2.66Å; M86-V96 HydrophobicContact CB-CG1 3.91Å; M86-V96 HydrophobicContact CB-CG2 3.95Å; M86-V96 HydrophobicContact CE-CG1 3.91Å; M86-V96 HydrophobicContact SD-CG1 3.94Å; V94-V96 HydrophobicContact CG2-CG1 4.37Å; V96-V98 HydrophobicContact CG2-CG2 4.23Å; V96-V133 HydrophobicContact CG1-CG1 4.46Å; V96-V145 HydrophobicContact CB-CG1 3.74Å; V96-V145 HydrophobicContact CG1-CG1 4.07Å; V96-V145 HydrophobicContact CG2-CG1 3.79Å; V96-M146 WeakPolarHBondContact CB-O 3.37Å
97	A	86.1	Confident	75	Confident	10 Å²	10	63.1 Å²	63.1	8%	0.083	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132	169.5	0	0	0	0	0	109.7	V81 W82 V145 M146 L148	V81-A97 HydrophobicContact CG1-CB 4.08Å; W82-A97 CarbonylContact O-C 3.46Å; W82-A97 WeakPolarHBondContact O-CA 3.11Å; A97-V145 WeakPolarHBondContact O-CA 3.25Å; A97-M146 HydrophobicContact CB-CB 4.5Å; A97-M146 PolarHBondContact N-O 2.84Å; A97-M146 PolarHBondContact O-N 2.7Å; A97-L148 HydrophobicContact CB-CD1 4.06Å
98	V	84.3	Confident	75	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110.5	-178.9	-176.7	0	0	0	0	108.9	I65 V81 W82 A84 V96 L100 I136 K143 L144	I65-V98 HydrophobicContact CD1-CG2 4.42Å; V81-V98 CarbonylContact C-O 3.45Å; V81-V98 WeakPolarHBondContact CA-O 3.33Å; W82-V98 PolarHBondContact N-O 3.31Å; W82-V98 PolarHBondContact O-N 3.3Å; A84-V98 HydrophobicContact CB-CG2 3.84Å; V96-V98 HydrophobicContact CG2-CG2 4.23Å; V98-L100 HydrophobicContact CG1-CD1 4.43Å; V98-I136 HydrophobicContact CG1-CD1 4.21Å; V98-K143 HydrophobicContact CG1-CB 3.63Å; V98-K143 HydrophobicContact CG1-CD 4.14Å; V98-K143 HydrophobicContact CG1-CG 4.4Å; V98-L144 CarbonylContact C-O 3.5Å; V98-L144 WeakPolarHBondContact CA-O 3.27Å
99	K	84	Confident	75	Confident	15 Å²	15	70.8 Å²	70.8	7%	0.065	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119	175.5	-176.2	173.7	178.9	-177	0	109	V81 E117 K143 L144 M146 D210	V81-K99 HydrophobicContact CG2-CB 4.16Å; V81-K99 HydrophobicContact CG2-CG 4.12Å; K99-E117 IonicContact NZ-OE1 3.99Å; K99-E117 PolarHBondContact NZ-OE1 3.22Å; K99-E117 IonicContact NZ-OE2 2.68Å; K99-E117 PolarHBondContact NZ-OE2 3.14Å; K99-K143 WeakPolarHBondContact O-CA 3.35Å; K99-L144 HydrophobicContact CB-CB 4.3Å; K99-L144 HydrophobicContact CD-CD2 4.47Å; K99-L144 PolarHBondContact N-O 3.19Å; K99-L144 PolarHBondContact O-N 3.04Å; K99-M146 HydrophobicContact CB-CE 3.94Å; K99-M146 HydrophobicContact CD-CE 4.45Å; K99-D210 IonicContact NZ-OD1 3.09Å; K99-D210 PolarHBondContact NZ-OD1 2.97Å
100	L	79	Confident	75	Confident	17 Å²	17	69 Å²	69	9%	0.089	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.4	-179.5	-64.4	87.5	0	0	0	110	E80 W82 V98 K143	E80-L100 WeakPolarHBondContact O-CD1 3.47Å; E80-L100 PolarHBondContact O-N 2.82Å; W82-L100 HydrophobicContact CB-CD1 4.4Å; W82-L100 HydrophobicContact CD2-CD1 3.52Å; W82-L100 HydrophobicContact CD2-CD2 4.35Å; W82-L100 HydrophobicContact CE3-CD1 4.08Å; W82-L100 HydrophobicContact CE3-CD2 4.39Å; W82-L100 HydrophobicContact CG-CD1 3.66Å; W82-L100 HydrophobicContact CH2-CD2 3.75Å; W82-L100 HydrophobicContact CZ2-CD1 4.16Å; W82-L100 HydrophobicContact CZ2-CD2 3.69Å; W82-L100 HydrophobicContact CZ3-CD2 4.11Å; V98-L100 HydrophobicContact CG1-CD1 4.43Å; L100-K143 HydrophobicContact CD2-CD 4.4Å; L100-K143 HydrophobicContact CG-CD 4.35Å; L100-K143 HydrophobicContact CG-CG 4.37Å
101	L	71.4	Confident	75	Confident	12 Å²	12	69.5 Å²	69.5	6%	0.063	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-73.5	139	158.7	-169.7	63.2	0	0	0	107.7	V106 R111 F114 P141 V142	L101-V106 HydrophobicContact CD1-CG1 4.07Å; L101-V106 HydrophobicContact CG-CG1 4.42Å; L101-R111 HydrophobicContact CD2-CB 4.03Å; L101-R111 HydrophobicContact CD2-CG 3.88Å; L101-F114 HydrophobicContact CB-CD1 4.49Å; L101-F114 HydrophobicContact CB-CD2 4.16Å; L101-F114 HydrophobicContact CB-CE2 4.27Å; L101-F114 HydrophobicContact CB-CG 4.26Å; L101-F114 HydrophobicContact CB-CZ 4.48Å; L101-F114 HydrophobicContact CD1-CB 3.82Å; L101-F114 HydrophobicContact CD1-CD2 4.18Å; L101-F114 HydrophobicContact CD1-CG 4.05Å; L101-F114 HydrophobicContact CD2-CB 4.41Å; L101-F114 HydrophobicContact CD2-CD1 4.42Å; L101-F114 HydrophobicContact CD2-CG 4.4Å; L101-F114 HydrophobicContact CG-CG 4.48Å; L101-P141 HydrophobicContact CB-CB 4.3Å; L101-P141 WeakPolarHBondContact O-CB 3.48Å; L101-P141 WeakPolarHBondContact O-CG 3.25Å; L101-V142 PolarHBondContact N-O 2.83Å
102	K	66.6	Low	74.9	Confident	124 Å²	124	68.6 Å²	68.6	54%	0.539	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-64.5	141.5	175	-63.4	173.2	-178	171.6	0	109.3	V106	K102-V106 HydrophobicContact CB-CG2 3.51Å; K102-V106 WeakPolarHBondContact O-CG2 3.16Å
103	D	62.9	Low	74.8	Confident	94 Å²	94	64 Å²	64	50%	0.503	34%	0.344	S	S	.	.	S	Bend	trans	-71.7	-52.3	-176.2	-92.5	-43.2	0	0	0	112.8	E140 P141	D103-E140 VanDerWaalsContact OD1-C 3.28Å; D103-P141 HydrophobicContact CB-CG 4.43Å; D103-P141 VanDerWaalsContact CG-CG 3.44Å; D103-P141 VanDerWaalsContact OD1-CA 3.25Å; D103-P141 WeakPolarHBondContact OD1-CA 3.43Å; D103-P141 WeakPolarHBondContact OD1-CB 3.1Å; D103-P141 WeakPolarHBondContact OD1-CD 3.48Å; D103-P141 VanDerWaalsContact OD1-CG 3.24Å; D103-P141 WeakPolarHBondContact OD1-CG 3.42Å; D103-P141 WeakPolarHBondContact OD2-CD 3.46Å; D103-P141 WeakPolarHBondContact OD2-CG 3.31Å
104	D	62.5	Low	74.8	Confident	152 Å²	152	59.3 Å²	59.3	81%	0.813	32%	0.315	S	S	*	.	S	Bend	trans	-103.5	131.2	-166.3	-65.8	-37.3	0	0	0	112.5	V106	D104-V106 VanDerWaalsContact C-N 3.28Å; D104-V106 PolarHBondContact O-N 2.9Å
105	G	63.1	Low	74.7	Confident	81 Å²	81	57.3 Å²	57.3	84%	0.835	30%	0.302	S	S	*	.	S	Bend	trans	74.2	8.8	171.7	0	0	0	0	0	115.8	P107	G105-P107 WeakPolarHBondContact O-CD 3.42Å
106	V	65.4	Low	74.5	Confident	33 Å²	33	53.9 Å²	53.9	20%	0.2	29%	0.29	C	S	.	.			trans	-66	122.3	176.4	176.8	0	0	0	0	110	L101 K102 D104 E110	L101-V106 HydrophobicContact CD1-CG1 4.07Å; L101-V106 HydrophobicContact CG-CG1 4.42Å; K102-V106 HydrophobicContact CB-CG2 3.51Å; K102-V106 WeakPolarHBondContact O-CG2 3.16Å; D104-V106 VanDerWaalsContact C-N 3.28Å; D104-V106 PolarHBondContact O-N 2.9Å; V106-E110 HydrophobicContact CG1-CB 3.42Å; V106-E110 VanDerWaalsContact CG1-CB 3.42Å; V106-E110 HydrophobicContact CG1-CG 4.45Å
107	P	72.8	Confident	74.3	Confident	58 Å²	58	53.8 Å²	53.8	38%	0.377	29%	0.289	S	S	.	.			trans	-55.2	142.1	174.3	-24.4	33.8	0	0	0	111.2	G105 E109 E110 R111	G105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-E109 VanDerWaalsContact CB-OE2 3.3Å; P107-E109 WeakPolarHBondContact CB-OE2 3.29Å; P107-E109 PolarHBondContact O-N 2.87Å; P107-E110 WeakPolarHBondContact O-CB 3.47Å; P107-E110 PolarHBondContact O-N 3.47Å; P107-R111 PolarHBondContact O-N 3.42Å
108	E	75.1	Confident	74.1	Confident	95 Å²	95	53.3 Å²	53.3	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-54.7	-30	178.7	177.4	57.9	-152.3	0	0	111.4	E110 R111 Q112	E108-E110 PolarHBondContact O-N 2.8Å; E108-R111 PolarHBondContact O-N 3.36Å; E108-R111 IonicContact OE2-NH1 2.71Å; E108-Q112 WeakPolarHBondContact O-CB 3.48Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.3Å; E108-Q112 PolarHBondContact O-N 2.83Å; E108-Q112 PolarHBondContact OE1-NE2 2.82Å
109	E	72	Confident	74	Confident	113 Å²	113	54.9 Å²	54.9	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-33.9	174.4	-59.9	85.1	177.6	0	0	114.1	P107 Q113	P107-E109 VanDerWaalsContact CB-OE2 3.3Å; P107-E109 WeakPolarHBondContact CB-OE2 3.29Å; P107-E109 PolarHBondContact O-N 2.87Å; E109-Q113 WeakPolarHBondContact O-CB 3.33Å; E109-Q113 WeakPolarHBondContact O-CG 3.16Å; E109-Q113 PolarHBondContact O-N 3.46Å; E109-Q113 PolarHBondContact O-NE2 3.44Å
110	E	70.1	Confident	73.8	Confident	69 Å²	69	55 Å²	55	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-72.7	-41.3	175.6	-78	-175.6	-151.2	0	0	110.4	V106 P107 E108 Q112 Q113 F114	V106-E110 HydrophobicContact CG1-CB 3.42Å; V106-E110 VanDerWaalsContact CG1-CB 3.42Å; V106-E110 HydrophobicContact CG1-CG 4.45Å; P107-E110 WeakPolarHBondContact O-CB 3.47Å; P107-E110 PolarHBondContact O-N 3.47Å; E108-E110 PolarHBondContact O-N 2.8Å; E110-Q112 VanDerWaalsContact C-N 3.35Å; E110-Q112 PolarHBondContact O-N 2.98Å; E110-Q113 WeakPolarHBondContact O-CB 3.43Å; E110-Q113 PolarHBondContact O-N 2.88Å; E110-Q113 VanDerWaalsContact O-N 3.15Å; E110-F114 PolarHBondContact O-N 2.83Å
111	R	75.7	Confident	74.1	Confident	78 Å²	78	54.3 Å²	54.3	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-45.1	172	-176.6	-178.1	178.1	-165.2	1.5	111.7	V11 L101 P107 E108 Q113 F114 F115	V11-R111 PolarHBondContact O-NH2 2.87Å; L101-R111 HydrophobicContact CD2-CB 4.03Å; L101-R111 HydrophobicContact CD2-CG 3.88Å; P107-R111 PolarHBondContact O-N 3.42Å; E108-R111 PolarHBondContact O-N 3.36Å; E108-R111 IonicContact OE2-NH1 2.71Å; R111-Q113 VanDerWaalsContact C-N 3.31Å; R111-Q113 PolarHBondContact O-N 2.97Å; R111-F114 PolarHBondContact O-N 2.94Å; R111-F115 HydrophobicContact CG-CD2 3.98Å; R111-F115 HydrophobicContact CG-CE2 3.75Å; R111-F115 VanDerWaalsContact O-CD2 3.26Å; R111-F115 WeakPolarHBondContact O-CD2 3.39Å; R111-F115 PolarHBondContact O-N 3.09Å
112	Q	76.1	Confident	74.7	Confident	110 Å²	110	54.8 Å²	54.8	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-38.4	174.8	-74.5	175.5	13.9	0	0	112.2	E108 E110 A116	E108-Q112 WeakPolarHBondContact O-CB 3.48Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.3Å; E108-Q112 PolarHBondContact O-N 2.83Å; E108-Q112 PolarHBondContact OE1-NE2 2.82Å; E110-Q112 VanDerWaalsContact C-N 3.35Å; E110-Q112 PolarHBondContact O-N 2.98Å; Q112-A116 WeakPolarHBondContact O-CB 3.46Å; Q112-A116 PolarHBondContact O-N 2.71Å
113	Q	73.2	Confident	75.5	Confident	29 Å²	29	51.7 Å²	51.7	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-43.3	174.9	-78	167.3	68.3	0	0	111.9	F78 E109 E110 R111 A116 E117	F78-Q113 HydrophobicContact CE1-CB 4.31Å; E109-Q113 WeakPolarHBondContact O-CB 3.33Å; E109-Q113 WeakPolarHBondContact O-CG 3.16Å; E109-Q113 PolarHBondContact O-N 3.46Å; E109-Q113 PolarHBondContact O-NE2 3.44Å; E110-Q113 WeakPolarHBondContact O-CB 3.43Å; E110-Q113 PolarHBondContact O-N 2.88Å; E110-Q113 VanDerWaalsContact O-N 3.15Å; R111-Q113 VanDerWaalsContact C-N 3.31Å; R111-Q113 PolarHBondContact O-N 2.97Å; Q113-A116 CarbonylContact O-C 3.5Å; Q113-A116 PolarHBondContact O-N 3.35Å; Q113-E117 PolarHBondContact O-N 3.23Å
114	F	79.8	Confident	76.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-47.9	176.3	178.5	-90.5	0	0	0	112.4	L101 E110 R111 A116 E117 C118 V142 L144	L101-F114 HydrophobicContact CB-CD1 4.49Å; L101-F114 HydrophobicContact CB-CD2 4.16Å; L101-F114 HydrophobicContact CB-CE2 4.27Å; L101-F114 HydrophobicContact CB-CG 4.26Å; L101-F114 HydrophobicContact CB-CZ 4.48Å; L101-F114 HydrophobicContact CD1-CB 3.82Å; L101-F114 HydrophobicContact CD1-CD2 4.18Å; L101-F114 HydrophobicContact CD1-CG 4.05Å; L101-F114 HydrophobicContact CD2-CB 4.41Å; L101-F114 HydrophobicContact CD2-CD1 4.42Å; L101-F114 HydrophobicContact CD2-CG 4.4Å; L101-F114 HydrophobicContact CG-CG 4.48Å; E110-F114 PolarHBondContact O-N 2.83Å; R111-F114 PolarHBondContact O-N 2.94Å; F114-A116 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 2.79Å; F114-E117 WeakPolarHBondContact O-CB 3.49Å; F114-E117 PolarHBondContact O-N 3.46Å; F114-C118 PolarHBondContact O-N 3.36Å; F114-C118 PolarHBondContact O-SG 3.02Å; F114-V142 HydrophobicContact CE1-CB 4.24Å; F114-V142 HydrophobicContact CE1-CG1 3.86Å; F114-V142 WeakPolarHBondContact CZ-O 3.49Å; F114-L144 HydrophobicContact CE2-CB 3.9Å; F114-L144 HydrophobicContact CZ-CB 3.67Å
115	F	80.2	Confident	77.8	Confident	11 Å²	11	44.1 Å²	44.1	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-33.3	175.3	-75.4	-68.5	0	0	0	112.5	F9 V11 R111 E117 C118 R119 V142	F9-F115 AromaticContact CE2-CD1 3.83Å; F9-F115 HydrophobicContact CE2-CD1 3.83Å; F9-F115 HydrophobicContact CE2-CE1 4.09Å; F9-F115 HydrophobicContact CZ-CD1 4.36Å; V11-F115 HydrophobicContact CB-CE1 4Å; V11-F115 HydrophobicContact CB-CZ 3.89Å; V11-F115 HydrophobicContact CG2-CE1 3.67Å; V11-F115 HydrophobicContact CG2-CZ 4.08Å; R111-F115 HydrophobicContact CG-CD2 3.98Å; R111-F115 HydrophobicContact CG-CE2 3.75Å; R111-F115 VanDerWaalsContact O-CD2 3.26Å; R111-F115 WeakPolarHBondContact O-CD2 3.39Å; R111-F115 PolarHBondContact O-N 3.09Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-C118 PolarHBondContact O-N 3Å; F115-R119 WeakPolarHBondContact O-CG 3.23Å; F115-R119 PolarHBondContact O-N 3.1Å; F115-V142 HydrophobicContact CE1-CG1 4Å; F115-V142 HydrophobicContact CE1-CG2 4.48Å; F115-V142 HydrophobicContact CZ-CB 4.18Å; F115-V142 HydrophobicContact CZ-CG1 4.18Å; F115-V142 HydrophobicContact CZ-CG2 3.95Å
116	A	77.9	Confident	79.1	Confident	26 Å²	26	41 Å²	41	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-27.4	173.7	0	0	0	0	0	112.7	Q112 Q113 F114 K120	Q112-A116 WeakPolarHBondContact O-CB 3.46Å; Q112-A116 PolarHBondContact O-N 2.71Å; Q113-A116 CarbonylContact O-C 3.5Å; Q113-A116 PolarHBondContact O-N 3.35Å; F114-A116 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 2.79Å; A116-K120 VanDerWaalsContact O-CG 3.29Å; A116-K120 WeakPolarHBondContact O-CG 3.34Å; A116-K120 PolarHBondContact O-N 2.96Å; A116-K120 PolarHBondContact O-NZ 3.24Å
117	E	81.6	Confident	80.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-51.5	169.8	-172.8	174.8	-174.1	0	0	110.3	K99 Q113 F114 F115 R119 K120 L121 L144 L211	K99-E117 IonicContact NZ-OE1 3.99Å; K99-E117 PolarHBondContact NZ-OE1 3.22Å; K99-E117 IonicContact NZ-OE2 2.68Å; K99-E117 PolarHBondContact NZ-OE2 3.14Å; Q113-E117 PolarHBondContact O-N 3.23Å; F114-E117 WeakPolarHBondContact O-CB 3.49Å; F114-E117 PolarHBondContact O-N 3.46Å; F115-E117 VanDerWaalsContact C-N 3.29Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 2.67Å; E117-K120 PolarHBondContact O-N 2.98Å; E117-K120 VanDerWaalsContact O-N 3.15Å; E117-L121 HydrophobicContact CG-CD1 3.82Å; E117-L121 HydrophobicContact CG-CG 4.42Å; E117-L121 PolarHBondContact O-N 2.95Å; E117-L144 HydrophobicContact CG-CD2 4.32Å; E117-L211 HydrophobicContact CG-CB 4.19Å; E117-L211 PolarHBondContact OE1-N 2.69Å
118	C	83	Confident	81.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.6	-47.1	179.1	-62.2	0	0	0	0	111.8	F9 F114 F115 K120 R122 I135	F9-C118 HydrophobicContact CE1-CB 4.34Å; F9-C118 HydrophobicContact CZ-CB 3.78Å; F114-C118 PolarHBondContact O-N 3.36Å; F114-C118 PolarHBondContact O-SG 3.02Å; F115-C118 PolarHBondContact O-N 3Å; C118-K120 PolarHBondContact O-N 2.89Å; C118-R122 VanDerWaalsContact O-CB 3.25Å; C118-R122 WeakPolarHBondContact O-CB 3.42Å; C118-R122 PolarHBondContact O-N 3.17Å; C118-R122 VanDerWaalsContact O-N 3.09Å; C118-I135 HydrophobicContact CB-CG2 4.33Å
119	R	81	Confident	82.3	Confident	35 Å²	35	34.4 Å²	34.4	13%	0.132	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-41	179.2	-71.8	-179.1	-159.5	101.1	7.4	112.5	M1 F9 F115 E117 Q123	M1-R119 VanDerWaalsContact CE-CZ 3.5Å; F9-R119 HydrophobicContact CD1-CG 4.35Å; F9-R119 HydrophobicContact CE1-CG 4.03Å; F9-R119 VanDerWaalsContact O-CZ 3.25Å; F9-R119 PolarHBondContact O-NE 3.28Å; F9-R119 PolarHBondContact O-NH2 3.36Å; F115-R119 WeakPolarHBondContact O-CG 3.23Å; F115-R119 PolarHBondContact O-N 3.1Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 2.67Å; R119-Q123 WeakPolarHBondContact O-CG 3.46Å
120	K	81.2	Confident	83.3	Confident	17 Å²	17	29.3 Å²	29.3	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-54.2	178.3	-73.6	-173.8	-151	86.6	0	111.5	A116 E117 C118 R122 Q123 L124 A214	A116-K120 VanDerWaalsContact O-CG 3.29Å; A116-K120 WeakPolarHBondContact O-CG 3.34Å; A116-K120 PolarHBondContact O-N 2.96Å; A116-K120 PolarHBondContact O-NZ 3.24Å; E117-K120 PolarHBondContact O-N 2.98Å; E117-K120 VanDerWaalsContact O-N 3.15Å; C118-K120 PolarHBondContact O-N 2.89Å; K120-R122 PolarHBondContact O-N 3.09Å; K120-Q123 PolarHBondContact O-N 2.9Å; K120-L124 WeakPolarHBondContact O-CG 3.12Å; K120-A214 HydrophobicContact CD-CB 3.83Å; K120-A214 WeakPolarHBondContact CE-O 3.47Å; K120-A214 PolarHBondContact NZ-O 2.84Å
121	L	85.1	Confident	84.3	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-55	-38.3	-179.1	-78.7	171.4	0	0	0	111.9	E117 Q123 L124 I129 F132 L144 M146 L211	E117-L121 HydrophobicContact CG-CD1 3.82Å; E117-L121 HydrophobicContact CG-CG 4.42Å; E117-L121 PolarHBondContact O-N 2.95Å; L121-Q123 PolarHBondContact O-N 3.32Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-L124 VanDerWaalsContact O-N 3.1Å; L121-I129 HydrophobicContact CD2-CG2 4.46Å; L121-F132 HydrophobicContact CB-CB 4.08Å; L121-F132 HydrophobicContact CB-CD2 4.2Å; L121-L144 HydrophobicContact CD1-CD2 3.86Å; L121-M146 HydrophobicContact CD1-SD 4.08Å; L121-L211 HydrophobicContact CD2-CB 4.49Å; L121-L211 HydrophobicContact CD2-CD1 3.47Å; L121-L211 VanDerWaalsContact CD2-CD1 3.47Å; L121-L211 HydrophobicContact CD2-CG 3.95Å; L121-L211 HydrophobicContact CG-CB 4.38Å; L121-L211 HydrophobicContact CG-CD1 3.9Å; L121-L211 HydrophobicContact CG-CG 4.36Å
122	R	83.5	Confident	84.9	Confident	22 Å²	22	25.5 Å²	25.5	8%	0.083	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-26.1	177.8	-167.9	-172.8	80	108	25.1	114.5	G7 F53 C118 K120 L124 F132	G7-R122 VanDerWaalsContact CA-NH1 3.31Å; G7-R122 PolarHBondContact O-NE 3.4Å; G7-R122 PolarHBondContact O-NH1 2.99Å; G7-R122 PolarHBondContact O-NH2 3.46Å; F53-R122 VanDerWaalsContact O-CD 3.3Å; F53-R122 WeakPolarHBondContact O-CD 3.34Å; F53-R122 WeakPolarHBondContact O-CG 3.44Å; C118-R122 VanDerWaalsContact O-CB 3.25Å; C118-R122 WeakPolarHBondContact O-CB 3.42Å; C118-R122 PolarHBondContact O-N 3.17Å; C118-R122 VanDerWaalsContact O-N 3.09Å; K120-R122 PolarHBondContact O-N 3.09Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-F132 HydrophobicContact CB-CD1 3.93Å; R122-F132 HydrophobicContact CB-CD2 4.23Å; R122-F132 HydrophobicContact CB-CE1 4.05Å; R122-F132 HydrophobicContact CB-CE2 4.36Å; R122-F132 HydrophobicContact CB-CG 4.01Å; R122-F132 HydrophobicContact CB-CZ 4.26Å; R122-F132 HydrophobicContact CG-CD1 3.79Å; R122-F132 HydrophobicContact CG-CE1 3.67Å; R122-F132 HydrophobicContact CG-CG 4.39Å; R122-F132 HydrophobicContact CG-CZ 4.18Å
123	Q	82.5	Confident	85.3	Confident	60 Å²	60	21.8 Å²	21.8	28%	0.28	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8	178.1	-65.9	170	4.9	0	0	112.4	R119 K120 L121	R119-Q123 WeakPolarHBondContact O-CG 3.46Å; K120-Q123 PolarHBondContact O-N 2.9Å; L121-Q123 PolarHBondContact O-N 3.32Å
124	L	86.3	Confident	85.7	Confident	14 Å²	14	20.4 Å²	20.4	7%	0.073	11%	0.106	C	C	.	.			trans	-102.8	132.7	-173.1	-60.8	172.9	0	0	0	110.3	K120 L121 R122 I129 Y183 L184 C187 I189 L211	K120-L124 WeakPolarHBondContact O-CG 3.12Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-L124 VanDerWaalsContact O-N 3.1Å; R122-L124 VanDerWaalsContact C-N 3.32Å; L124-I129 HydrophobicContact CB-CG2 4.44Å; L124-I129 HydrophobicContact CD1-CG2 4.28Å; L124-Y183 HydrophobicContact CB-CE1 4.07Å; L124-Y183 HydrophobicContact CD2-CD1 4.39Å; L124-Y183 HydrophobicContact CD2-CE1 3.53Å; L124-Y183 HydrophobicContact CG-CE1 4.34Å; L124-L184 HydrophobicContact CD1-CD2 3.65Å; L124-L184 HydrophobicContact CD2-CD2 4.18Å; L124-C187 HydrophobicContact CD2-CB 4.31Å; L124-I189 HydrophobicContact CD1-CD1 3.95Å; L124-I189 HydrophobicContact CD2-CD1 3.63Å; L124-I189 HydrophobicContact CG-CD1 4.18Å; L124-L211 HydrophobicContact CD1-CD1 3.37Å
125	N	87.5	Confident	85.7	Confident	73 Å²	73	20.4 Å²	20.4	39%	0.39	11%	0.106	S	C	.	.			trans	-138.8	100.2	171.6	-176.2	25.7	0	0	0	107.8	Y183 E339 T342	N125-Y183 PolarHBondContact N-OH 2.85Å; N125-Y183 PolarHBondContact O-OH 2.95Å; N125-E339 WeakPolarHBondContact O-CA 3.4Å; N125-E339 VanDerWaalsContact O-CB 3.3Å; N125-E339 WeakPolarHBondContact O-CB 3.32Å; N125-T342 HydrophobicContact CB-CG2 3.94Å
126	H	90.7	Very high	85.6	Confident	14 Å²	14	19.9 Å²	19.9	7%	0.065	10%	0.104	C	C	.	.			trans	-155.5	135.8	178.1	-176.5	-100.4	0	0	0	110.2	H128 I129 Y183 E339	H126-H128 AromaticContact CE1-CD2 3.7Å; H126-H128 PolarHBondContact ND1-N 3.43Å; H126-H128 PolarHBondContact O-N 2.75Å; H126-I129 HydrophobicContact CB-CB 4.34Å; H126-I129 HydrophobicContact CB-CG1 3.9Å; H126-I129 PolarHBondContact O-N 3.41Å; H126-I129 VanDerWaalsContact O-O 3.06Å; H126-Y183 HydrophobicContact CB-CD1 3.48Å; H126-Y183 VanDerWaalsContact CB-CD1 3.48Å; H126-Y183 HydrophobicContact CB-CD2 4.16Å; H126-Y183 HydrophobicContact CB-CE1 3.57Å; H126-Y183 HydrophobicContact CB-CE2 4.27Å; H126-Y183 HydrophobicContact CB-CG 3.76Å; H126-Y183 AromaticContact CD2-CD2 3.97Å; H126-Y183 AromaticContact CD2-CG 3.84Å; H126-Y183 AromaticContact CG-CD1 3.9Å; H126-Y183 AromaticContact CG-CG 3.74Å; H126-E339 VanDerWaalsContact CA-OE2 3.29Å; H126-E339 WeakPolarHBondContact CA-OE2 2.93Å; H126-E339 IonicContact CD2-OE2 2.76Å; H126-E339 PolarHBondContact CD2-OE2 3.38Å; H126-E339 IonicContact CG-OE2 3.22Å
127	R	92.4	Very high	85.3	Confident	45 Å²	45	18.7 Å²	18.7	17%	0.17	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.5	-176.2	64.8	-179.6	-60.3	151.2	3.2	115.5	L205 K207 E333 E339	R127-L205 VanDerWaalsContact NH2-CD1 3.26Å; R127-L205 VanDerWaalsContact NH2-CD2 3.27Å; R127-K207 WeakPolarHBondContact O-CE 3.42Å; R127-K207 WeakPolarHBondContact O-CG 3.24Å; R127-K207 PolarHBondContact O-NZ 3.4Å; R127-E333 IonicContact CZ-OE1 3.88Å; R127-E333 VanDerWaalsContact CZ-OE1 3.27Å; R127-E333 IonicContact CZ-OE2 3.95Å; R127-E333 IonicContact NE-OE2 3.24Å; R127-E333 VanDerWaalsContact NH1-CB 3.29Å; R127-E333 VanDerWaalsContact NH1-CG 3.25Å; R127-E333 IonicContact NH1-OE1 3.85Å; R127-E333 PolarHBondContact NH1-OE1 3.37Å; R127-E333 VanDerWaalsContact NH1-OE1 3.14Å; R127-E333 IonicContact NH1-OE2 3.81Å; R127-E333 PolarHBondContact NH1-OE2 2.72Å; R127-E333 IonicContact NH2-OE1 2.67Å; R127-E333 PolarHBondContact NH2-OE1 3.38Å; R127-E333 IonicContact NH2-OE2 3.71Å; R127-E333 PolarHBondContact NH2-OE2 3.09Å; R127-E339 PolarHBondContact N-OE1 2.93Å; R127-E339 PolarHBondContact N-OE2 2.77Å
128	H	95.3	Very high	84.5	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	15.5	177.5	-60.2	-61.8	0	0	0	113.9	H126 H176 V206 K207 I208	H126-H128 AromaticContact CE1-CD2 3.7Å; H126-H128 PolarHBondContact ND1-N 3.43Å; H126-H128 PolarHBondContact O-N 2.75Å; H128-H176 WeakPolarHBondContact CB-O 3.11Å; H128-H176 AromaticContact CE1-CD2 3.32Å; H128-H176 PolarHBondContact CE1-CD2 3.16Å; H128-H176 AromaticContact CE1-CG 3.28Å; H128-H176 AromaticContact CE1-ND1 3.83Å; H128-H176 AromaticContact CE1-NE2 3.88Å; H128-H176 VanDerWaalsContact CG-O 3.28Å; H128-H176 AromaticContact ND1-CG 3.72Å; H128-H176 AromaticContact NE2-CD2 3.83Å; H128-V206 PolarHBondContact ND1-O 2.96Å; H128-K207 CarbonylContact O-C 3.56Å; H128-K207 WeakPolarHBondContact O-CA 3.16Å; H128-I208 PolarHBondContact O-N 2.84Å
129	I	93.9	Very high	83.7	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-119.4	140.9	169.4	-55	-60.8	0	0	0	107.6	L121 L124 H126 A131 Y183 L184 I208	L121-I129 HydrophobicContact CD2-CG2 4.46Å; L124-I129 HydrophobicContact CB-CG2 4.44Å; L124-I129 HydrophobicContact CD1-CG2 4.28Å; H126-I129 HydrophobicContact CB-CB 4.34Å; H126-I129 HydrophobicContact CB-CG1 3.9Å; H126-I129 PolarHBondContact O-N 3.41Å; H126-I129 VanDerWaalsContact O-O 3.06Å; I129-A131 PolarHBondContact O-N 3.4Å; I129-Y183 HydrophobicContact CG1-CD1 3.97Å; I129-Y183 HydrophobicContact CG1-CE1 4.43Å; I129-L184 HydrophobicContact CD1-CD1 3.96Å; I129-L184 HydrophobicContact CD1-CD2 4.03Å; I129-L184 HydrophobicContact CD1-CG 3.8Å; I129-I208 HydrophobicContact CD1-CB 3.87Å; I129-I208 HydrophobicContact CD1-CD1 4.02Å; I129-I208 HydrophobicContact CD1-CG1 4.28Å
130	V	93	Very high	83	Confident	5 Å²	5	23.6 Å²	23.6	3%	0.03	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-62.5	122.4	174.4	171.5	0	0	0	0	109.8	M146 E147 L200 K207 I208	V130-M146 HydrophobicContact CG1-CB 3.91Å; V130-M146 HydrophobicContact CG1-CG 4.34Å; V130-M146 HydrophobicContact CG1-SD 4.14Å; V130-E147 WeakPolarHBondContact CA-OE1 3.18Å; V130-E147 HydrophobicContact CG1-CG 3.98Å; V130-L200 HydrophobicContact CG2-CD1 3.93Å; V130-K207 HydrophobicContact CG2-CB 3.95Å; V130-I208 WeakPolarHBondContact CG2-O 3.13Å; V130-I208 PolarHBondContact N-O 3.33Å
131	A	90.5	Very high	82.6	Confident	37 Å²	37	23.3 Å²	23.3	31%	0.306	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-70	132.1	-177.8	0	0	0	0	0	112.1	I129 M146 E147	I129-A131 PolarHBondContact O-N 3.4Å; A131-M146 WeakPolarHBondContact O-CA 2.96Å; A131-E147 HydrophobicContact CB-CB 4.18Å; A131-E147 HydrophobicContact CB-CG 3.93Å; A131-E147 WeakPolarHBondContact CB-OE1 3.3Å; A131-E147 PolarHBondContact N-OE1 3.41Å; A131-E147 PolarHBondContact O-N 3.47Å
132	F	88.2	Confident	82.2	Confident	31 Å²	31	23.3 Å²	23.3	14%	0.136	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.2	166.6	178.2	-94	0	0	0	110.1	L121 R122 G134 I135 L144	L121-F132 HydrophobicContact CB-CB 4.08Å; L121-F132 HydrophobicContact CB-CD2 4.2Å; R122-F132 HydrophobicContact CB-CD1 3.93Å; R122-F132 HydrophobicContact CB-CD2 4.23Å; R122-F132 HydrophobicContact CB-CE1 4.05Å; R122-F132 HydrophobicContact CB-CE2 4.36Å; R122-F132 HydrophobicContact CB-CG 4.01Å; R122-F132 HydrophobicContact CB-CZ 4.26Å; R122-F132 HydrophobicContact CG-CD1 3.79Å; R122-F132 HydrophobicContact CG-CE1 3.67Å; R122-F132 HydrophobicContact CG-CG 4.39Å; R122-F132 HydrophobicContact CG-CZ 4.18Å; F132-G134 VanDerWaalsContact CZ-CA 3.42Å; F132-I135 HydrophobicContact CE2-CG2 4.06Å; F132-I135 HydrophobicContact CZ-CG2 4.1Å; F132-L144 HydrophobicContact CD2-CD1 3.61Å; F132-L144 HydrophobicContact CE2-CD1 3.55Å
133	V	85.1	Confident	82.1	Confident	31 Å²	31	22.9 Å²	22.9	19%	0.188	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-44.6	173.9	173	0	0	0	0	110.9	V52 M86 V96 V145 M146	V52-V133 VanDerWaalsContact CG1-O 3.31Å; V52-V133 WeakPolarHBondContact CG1-O 3.45Å; M86-V133 HydrophobicContact CE-CG1 3.54Å; M86-V133 HydrophobicContact SD-CG1 3.59Å; M86-V133 VanDerWaalsContact SD-CG1 3.59Å; V96-V133 HydrophobicContact CG1-CG1 4.46Å; V133-V145 WeakPolarHBondContact CA-O 3.43Å; V133-V145 HydrophobicContact CB-CB 4.21Å; V133-V145 HydrophobicContact CB-CG1 3.9Å; V133-V145 WeakPolarHBondContact CB-O 3.35Å; V133-V145 HydrophobicContact CG1-CB 4.36Å; V133-V145 HydrophobicContact CG1-CG1 3.81Å; V133-V145 PolarHBondContact N-O 3Å; V133-M146 VanDerWaalsContact CG2-C 3.47Å
134	G	80.5	Confident	82.2	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-171.9	-176	0	0	0	0	0	113.9	F132 V145	F132-G134 VanDerWaalsContact CZ-CA 3.42Å; G134-V145 PolarHBondContact N-O 3Å; G134-V145 PolarHBondContact O-N 2.65Å
135	I	81	Confident	82.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.7	169.9	61	177	0	0	0	110.8	F9 V11 I50 A51 F53 C118 F132 V137 K143	F9-I135 HydrophobicContact CD2-CD1 3.75Å; F9-I135 HydrophobicContact CE1-CD1 4.47Å; F9-I135 HydrophobicContact CE2-CD1 3.22Å; F9-I135 HydrophobicContact CZ-CD1 3.64Å; F9-I135 HydrophobicContact CZ-CG2 4.22Å; V11-I135 HydrophobicContact CG2-CD1 4.41Å; I50-I135 WeakPolarHBondContact CA-O 3.28Å; I50-I135 WeakPolarHBondContact CG2-O 3.47Å; A51-I135 HydrophobicContact CB-CG1 4.42Å; A51-I135 PolarHBondContact N-O 3.29Å; A51-I135 WeakPolarHBondContact O-CG1 3.46Å; A51-I135 PolarHBondContact O-N 2.77Å; F53-I135 HydrophobicContact CD2-CD1 4.17Å; F53-I135 HydrophobicContact CD2-CG1 4.27Å; F53-I135 HydrophobicContact CE2-CD1 3.88Å; F53-I135 HydrophobicContact CE2-CG1 4.13Å; C118-I135 HydrophobicContact CB-CG2 4.33Å; F132-I135 HydrophobicContact CE2-CG2 4.06Å; F132-I135 HydrophobicContact CZ-CG2 4.1Å; I135-V137 HydrophobicContact CB-CG1 4.35Å; I135-V137 HydrophobicContact CD1-CG1 3.61Å; I135-V137 HydrophobicContact CG1-CG1 3.84Å; I135-K143 CarbonylContact C-O 3.58Å; I135-K143 VanDerWaalsContact CA-O 3.27Å; I135-K143 WeakPolarHBondContact CA-O 2.99Å
136	I	77	Confident	82.3	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124	170.9	-59.4	167.6	0	0	0	107.3	I48 I50 I65 V98 D138 V142 K143 V145	I48-I136 HydrophobicContact CG2-CB 4.27Å; I48-I136 HydrophobicContact CG2-CD1 4.07Å; I48-I136 HydrophobicContact CG2-CG1 4.09Å; I48-I136 HydrophobicContact CG2-CG2 3.23Å; I50-I136 HydrophobicContact CG1-CG1 4.17Å; I65-I136 HydrophobicContact CD1-CD1 3.46Å; I65-I136 VanDerWaalsContact CD1-CD1 3.46Å; I65-I136 HydrophobicContact CD1-CG1 4.09Å; V98-I136 HydrophobicContact CG1-CD1 4.21Å; I136-D138 WeakPolarHBondContact CG2-OD1 3.21Å; I136-V142 WeakPolarHBondContact O-CA 3.25Å; I136-V142 WeakPolarHBondContact O-CG1 3.5Å; I136-K143 HydrophobicContact CB-CB 3.98Å; I136-K143 HydrophobicContact CB-CD 4.36Å; I136-K143 HydrophobicContact CB-CG 4.22Å; I136-K143 HydrophobicContact CD1-CB 4.14Å; I136-K143 HydrophobicContact CD1-CD 4.08Å; I136-K143 HydrophobicContact CG1-CB 4.45Å; I136-K143 HydrophobicContact CG2-CD 4.31Å; I136-K143 PolarHBondContact N-O 2.99Å; I136-K143 PolarHBondContact O-N 3.43Å; I136-V145 HydrophobicContact CD1-CG2 3.85Å; I136-V145 HydrophobicContact CG1-CG2 3.71Å
137	V	72.2	Confident	82.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.			trans	-130.6	-6.2	-170.6	-70.1	0	0	0	0	113.2	V11 L26 V28 I41 A51 I135 T139 V142	V11-V137 HydrophobicContact CG1-CB 4.38Å; V11-V137 HydrophobicContact CG1-CG1 4.26Å; V11-V137 HydrophobicContact CG2-CG1 3.63Å; L26-V137 WeakPolarHBondContact CD1-O 3.34Å; V28-V137 HydrophobicContact CG2-CB 4.19Å; V28-V137 HydrophobicContact CG2-CG1 4.23Å; V28-V137 HydrophobicContact CG2-CG2 3.74Å; I41-V137 HydrophobicContact CD1-CB 3.52Å; I41-V137 HydrophobicContact CD1-CG2 3.34Å; I41-V137 WeakPolarHBondContact CD1-O 3.31Å; I41-V137 HydrophobicContact CG1-CB 4.42Å; I41-V137 HydrophobicContact CG1-CG2 3.7Å; I41-V137 HydrophobicContact CG2-CG2 4.25Å; A51-V137 HydrophobicContact CB-CG2 3.91Å; I135-V137 HydrophobicContact CB-CG1 4.35Å; I135-V137 HydrophobicContact CD1-CG1 3.61Å; I135-V137 HydrophobicContact CG1-CG1 3.84Å; V137-T139 VanDerWaalsContact C-N 3.28Å; V137-T139 PolarHBondContact O-N 2.69Å; V137-V142 HydrophobicContact CG1-CG1 3.99Å; V137-V142 HydrophobicContact CG1-CG2 4.38Å
138	D	65.1	Low	82	Confident	8 Å²	8	16.4 Å²	16.4	4%	0.043	9%	0.091	C	C	.	.	S	Bend	trans	-75	-18.5	-177.1	61.4	-10.5	0	0	0	114.6	I41 L43 I48 N49 I136	I41-D138 HydrophobicContact CG2-CB 3.44Å; I41-D138 VanDerWaalsContact CG2-CB 3.44Å; L43-D138 WeakPolarHBondContact CD2-O 3.39Å; I48-D138 VanDerWaalsContact C-OD2 3.31Å; I48-D138 WeakPolarHBondContact CA-OD2 3.39Å; N49-D138 PolarHBondContact N-OD2 3.16Å; I136-D138 WeakPolarHBondContact CG2-OD1 3.21Å
139	T	65.4	Low	81.7	Confident	55 Å²	55	17.1 Å²	17.1	34%	0.337	10%	0.096	S	C	.	.	S	Bend	trans	-129.5	133.1	178	48.1	0	0	0	0	108	V137 P141 K143	V137-T139 VanDerWaalsContact C-N 3.28Å; V137-T139 PolarHBondContact O-N 2.69Å; T139-P141 CarbonylContact O-C 3.59Å; T139-P141 VanDerWaalsContact O-C 3.32Å; T139-K143 PolarHBondContact O-NZ 3Å; T139-K143 PolarHBondContact OG1-NZ 3.01Å
140	E	67.4	Low	80.7	Confident	76 Å²	76	21.1 Å²	21.1	36%	0.355	12%	0.124	S	C	.	.	S	Bend	trans	-67.2	142	159.6	-66.2	-69.5	-173.5	0	0	108.1	L26 D103 V142	L26-E140 HydrophobicContact CD1-CG 4.16Å; L26-E140 WeakPolarHBondContact CD2-OE1 2.83Å; D103-E140 VanDerWaalsContact OD1-C 3.28Å; E140-V142 PolarHBondContact OE2-N 3.4Å
141	P	72.5	Confident	79.3	Confident	11 Å²	11	22 Å²	22	7%	0.071	14%	0.135	C	C	.	.	S	Bend	cis	-82.3	153.9	-2.2	24.4	-13.7	0	0	0	109.3	L101 D103 T139 K143	L101-P141 HydrophobicContact CB-CB 4.3Å; L101-P141 WeakPolarHBondContact O-CB 3.48Å; L101-P141 WeakPolarHBondContact O-CG 3.25Å; D103-P141 HydrophobicContact CB-CG 4.43Å; D103-P141 VanDerWaalsContact CG-CG 3.44Å; D103-P141 VanDerWaalsContact OD1-CA 3.25Å; D103-P141 WeakPolarHBondContact OD1-CA 3.43Å; D103-P141 WeakPolarHBondContact OD1-CB 3.1Å; D103-P141 WeakPolarHBondContact OD1-CD 3.48Å; D103-P141 VanDerWaalsContact OD1-CG 3.24Å; D103-P141 WeakPolarHBondContact OD1-CG 3.42Å; D103-P141 WeakPolarHBondContact OD2-CD 3.46Å; D103-P141 WeakPolarHBondContact OD2-CG 3.31Å; T139-P141 CarbonylContact O-C 3.59Å; T139-P141 VanDerWaalsContact O-C 3.32Å; P141-K143 WeakPolarHBondContact O-CG 3.29Å; P141-K143 PolarHBondContact O-N 3.04Å; P141-K143 PolarHBondContact O-NZ 3.31Å
142	V	76.2	Confident	78.5	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.018	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-55.9	136.6	170.2	179.9	0	0	0	0	110.2	V11 L101 F114 F115 I136 V137 E140	V11-V142 HydrophobicContact CB-CG2 4.41Å; V11-V142 HydrophobicContact CG1-CG2 4.13Å; L101-V142 PolarHBondContact N-O 2.83Å; F114-V142 HydrophobicContact CE1-CB 4.24Å; F114-V142 HydrophobicContact CE1-CG1 3.86Å; F114-V142 WeakPolarHBondContact CZ-O 3.49Å; F115-V142 HydrophobicContact CE1-CG1 4Å; F115-V142 HydrophobicContact CE1-CG2 4.48Å; F115-V142 HydrophobicContact CZ-CB 4.18Å; F115-V142 HydrophobicContact CZ-CG1 4.18Å; F115-V142 HydrophobicContact CZ-CG2 3.95Å; I136-V142 WeakPolarHBondContact O-CA 3.25Å; I136-V142 WeakPolarHBondContact O-CG1 3.5Å; V137-V142 HydrophobicContact CG1-CG1 3.99Å; V137-V142 HydrophobicContact CG1-CG2 4.38Å; E140-V142 PolarHBondContact OE2-N 3.4Å
143	K	81.7	Confident	78.1	Confident	13 Å²	13	26.4 Å²	26.4	6%	0.057	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.1	-175.4	-36	175.3	173	56.9	0	110.4	V98 K99 L100 I135 I136 T139 P141	V98-K143 HydrophobicContact CG1-CB 3.63Å; V98-K143 HydrophobicContact CG1-CD 4.14Å; V98-K143 HydrophobicContact CG1-CG 4.4Å; K99-K143 WeakPolarHBondContact O-CA 3.35Å; L100-K143 HydrophobicContact CD2-CD 4.4Å; L100-K143 HydrophobicContact CG-CD 4.35Å; L100-K143 HydrophobicContact CG-CG 4.37Å; I135-K143 CarbonylContact C-O 3.58Å; I135-K143 VanDerWaalsContact CA-O 3.27Å; I135-K143 WeakPolarHBondContact CA-O 2.99Å; I136-K143 HydrophobicContact CB-CB 3.98Å; I136-K143 HydrophobicContact CB-CD 4.36Å; I136-K143 HydrophobicContact CB-CG 4.22Å; I136-K143 HydrophobicContact CD1-CB 4.14Å; I136-K143 HydrophobicContact CD1-CD 4.08Å; I136-K143 HydrophobicContact CG1-CB 4.45Å; I136-K143 HydrophobicContact CG2-CD 4.31Å; I136-K143 PolarHBondContact N-O 2.99Å; I136-K143 PolarHBondContact O-N 3.43Å; T139-K143 PolarHBondContact O-NZ 3Å; T139-K143 PolarHBondContact OG1-NZ 3.01Å; P141-K143 WeakPolarHBondContact O-CG 3.29Å; P141-K143 PolarHBondContact O-N 3.04Å; P141-K143 PolarHBondContact O-NZ 3.31Å
144	L	84.8	Confident	78	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.7	177.4	165	62	0	0	0	108.2	V98 K99 F114 E117 L121 F132 M146	V98-L144 CarbonylContact C-O 3.5Å; V98-L144 WeakPolarHBondContact CA-O 3.27Å; K99-L144 HydrophobicContact CB-CB 4.3Å; K99-L144 HydrophobicContact CD-CD2 4.47Å; K99-L144 PolarHBondContact N-O 3.19Å; K99-L144 PolarHBondContact O-N 3.04Å; F114-L144 HydrophobicContact CE2-CB 3.9Å; F114-L144 HydrophobicContact CZ-CB 3.67Å; E117-L144 HydrophobicContact CG-CD2 4.32Å; L121-L144 HydrophobicContact CD1-CD2 3.86Å; F132-L144 HydrophobicContact CD2-CD1 3.61Å; F132-L144 HydrophobicContact CE2-CD1 3.55Å; L144-M146 HydrophobicContact CD1-CG 4.13Å; L144-M146 HydrophobicContact CD2-CE 4.45Å; L144-M146 HydrophobicContact CD2-CG 4.18Å; L144-M146 HydrophobicContact CD2-SD 3.83Å; L144-M146 HydrophobicContact CG-CG 3.87Å; L144-M146 HydrophobicContact CG-SD 4.14Å
145	V	86.3	Confident	78.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.4	176.8	-166.6	0	0	0	0	108.5	I50 I65 M86 V96 A97 V133 G134 I136	I50-V145 HydrophobicContact CG2-CG2 4.35Å; I65-V145 HydrophobicContact CD1-CG1 4.24Å; I65-V145 HydrophobicContact CD1-CG2 3.91Å; M86-V145 HydrophobicContact SD-CG1 4.34Å; V96-V145 HydrophobicContact CB-CG1 3.74Å; V96-V145 HydrophobicContact CG1-CG1 4.07Å; V96-V145 HydrophobicContact CG2-CG1 3.79Å; A97-V145 WeakPolarHBondContact O-CA 3.25Å; V133-V145 WeakPolarHBondContact CA-O 3.43Å; V133-V145 HydrophobicContact CB-CB 4.21Å; V133-V145 HydrophobicContact CB-CG1 3.9Å; V133-V145 WeakPolarHBondContact CB-O 3.35Å; V133-V145 HydrophobicContact CG1-CB 4.36Å; V133-V145 HydrophobicContact CG1-CG1 3.81Å; V133-V145 PolarHBondContact N-O 3Å; G134-V145 PolarHBondContact N-O 3Å; G134-V145 PolarHBondContact O-N 2.65Å; I136-V145 HydrophobicContact CD1-CG2 3.85Å; I136-V145 HydrophobicContact CG1-CG2 3.71Å
146	M	88.3	Confident	78	Confident	18 Å²	18	29.8 Å²	29.8	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	164.7	179.9	-62.2	172.8	-64.6	0	0	109.6	V96 A97 K99 L121 V130 A131 V133 L144 L148	V96-M146 WeakPolarHBondContact CB-O 3.37Å; A97-M146 HydrophobicContact CB-CB 4.5Å; A97-M146 PolarHBondContact N-O 2.84Å; A97-M146 PolarHBondContact O-N 2.7Å; K99-M146 HydrophobicContact CB-CE 3.94Å; K99-M146 HydrophobicContact CD-CE 4.45Å; L121-M146 HydrophobicContact CD1-SD 4.08Å; V130-M146 HydrophobicContact CG1-CB 3.91Å; V130-M146 HydrophobicContact CG1-CG 4.34Å; V130-M146 HydrophobicContact CG1-SD 4.14Å; A131-M146 WeakPolarHBondContact O-CA 2.96Å; V133-M146 VanDerWaalsContact CG2-C 3.47Å; L144-M146 HydrophobicContact CD1-CG 4.13Å; L144-M146 HydrophobicContact CD2-CE 4.45Å; L144-M146 HydrophobicContact CD2-CG 4.18Å; L144-M146 HydrophobicContact CD2-SD 3.83Å; L144-M146 HydrophobicContact CG-CG 3.87Å; L144-M146 HydrophobicContact CG-SD 4.14Å; M146-L148 PolarHBondContact O-N 3.01Å
147	E	89.2	Confident	78.2	Confident	21 Å²	21	31.5 Å²	31.5	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.5	168.4	69.2	174.3	143	0	0	110.5	V130 A131 C149 K202 K207	V130-E147 WeakPolarHBondContact CA-OE1 3.18Å; V130-E147 HydrophobicContact CG1-CG 3.98Å; A131-E147 HydrophobicContact CB-CB 4.18Å; A131-E147 HydrophobicContact CB-CG 3.93Å; A131-E147 WeakPolarHBondContact CB-OE1 3.3Å; A131-E147 PolarHBondContact N-OE1 3.41Å; A131-E147 PolarHBondContact O-N 3.47Å; E147-C149 PolarHBondContact O-N 3.11Å; E147-K202 WeakPolarHBondContact OE2-CD 3.21Å; E147-K202 WeakPolarHBondContact OE2-CE 3.19Å; E147-K202 IonicContact OE2-NZ 2.69Å; E147-K202 PolarHBondContact OE2-NZ 3.28Å; E147-K207 VanDerWaalsContact CD-NZ 3.29Å; E147-K207 VanDerWaalsContact OE1-CD 3.25Å; E147-K207 WeakPolarHBondContact OE1-CD 3.42Å; E147-K207 WeakPolarHBondContact OE1-CE 3.48Å; E147-K207 IonicContact OE1-NZ 3.65Å; E147-K207 PolarHBondContact OE1-NZ 2.94Å; E147-K207 IonicContact OE2-NZ 2.73Å; E147-K207 PolarHBondContact OE2-NZ 3.43Å; E147-K207 VanDerWaalsContact OE2-NZ 3.09Å
148	L	88	Confident	78.8	Confident	31 Å²	31	31.5 Å²	31.5	16%	0.162	17%	0.173	C	C	.	.			trans	-76.6	124.7	169	-172.1	66.5	0	0	0	109	K83 E95 A97 M146 K202	K83-L148 HydrophobicContact CD-CD2 3.83Å; K83-L148 HydrophobicContact CG-CD1 4.44Å; K83-L148 HydrophobicContact CG-CD2 3.89Å; E95-L148 HydrophobicContact CB-CB 4.36Å; E95-L148 HydrophobicContact CB-CD2 3.61Å; A97-L148 HydrophobicContact CB-CD1 4.06Å; M146-L148 PolarHBondContact O-N 3.01Å; L148-K202 WeakPolarHBondContact O-CD 3.49Å; L148-K202 WeakPolarHBondContact O-CE 3.26Å; L148-K202 PolarHBondContact O-NZ 2.88Å
149	C	88.7	Confident	79.5	Confident	14 Å²	14	36.4 Å²	36.4	10%	0.095	19%	0.192	C	C	.	.			trans	-91.6	110.5	165.1	-63.9	0	0	0	0	107.3	E147 G151 L200 V201 K202	E147-C149 PolarHBondContact O-N 3.11Å; C149-G151 VanDerWaalsContact C-N 3.28Å; C149-G151 PolarHBondContact O-N 3.18Å; C149-L200 HydrophobicContact CB-CB 3.65Å; C149-L200 HydrophobicContact CB-CD1 3.98Å; C149-L200 HydrophobicContact CB-CG 4.4Å; C149-V201 WeakPolarHBondContact CB-O 3.35Å; C149-K202 HydrophobicContact CB-CB 4.12Å
150	S	73.6	Confident	80.4	Confident	89 Å²	89	37.2 Å²	37.2	62%	0.622	20%	0.199	S	C	*	.			trans	-70.7	-23.1	-173.5	48.2	0	0	0	0	113.4
151	G	64.1	Low	81	Confident	24 Å²	24	37.1 Å²	37.1	25%	0.247	20%	0.199	C	C	.	.	S	Bend	trans	-77.1	156.4	172.6	0	0	0	0	0	111.9	C149 V201	C149-G151 VanDerWaalsContact C-N 3.28Å; C149-G151 PolarHBondContact O-N 3.18Å; G151-V201 VanDerWaalsContact CA-O 3.23Å; G151-V201 WeakPolarHBondContact CA-O 3.47Å; G151-V201 PolarHBondContact N-O 3.24Å
152	K	72.3	Confident	81.5	Confident	115 Å²	115	42.6 Å²	42.6	50%	0.5	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-69.4	172.9	172.7	-46.5	177.2	-177.1	170.1	0	109.2	I156 N157	K152-I156 HydrophobicContact CB-CB 3.95Å; K152-I156 HydrophobicContact CB-CD1 4.36Å; K152-I156 HydrophobicContact CB-CG2 4.05Å; K152-I156 HydrophobicContact CD-CB 4.33Å; K152-I156 HydrophobicContact CD-CG2 3.48Å; K152-I156 VanDerWaalsContact CD-CG2 3.48Å; K152-I156 HydrophobicContact CG-CG2 4.4Å; K152-N157 WeakPolarHBondContact CB-OD1 3.4Å
153	H	80.5	Confident	81.7	Confident	44 Å²	44	45.4 Å²	45.4	20%	0.204	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-54.9	145	170.8	-59.6	-92.4	0	0	0	110.1	L155 I156 N157 R197 C199 L200	H153-L155 PolarHBondContact O-N 3.3Å; H153-L155 VanDerWaalsContact O-N 3.15Å; H153-I156 HydrophobicContact CB-CD1 4.27Å; H153-I156 HydrophobicContact CB-CG1 4.19Å; H153-I156 WeakPolarHBondContact O-CA 3.41Å; H153-I156 PolarHBondContact O-N 2.79Å; H153-N157 PolarHBondContact O-N 2.78Å; H153-R197 PolarHBondContact ND1-O 3.46Å; H153-C199 CarbonylContact C-O 3.48Å; H153-C199 WeakPolarHBondContact CA-O 3.48Å; H153-L200 HydrophobicContact CB-CD2 4.49Å; H153-L200 VanDerWaalsContact CE1-CD2 3.43Å; H153-L200 WeakPolarHBondContact CE1-CD2 3.45Å; H153-L200 WeakPolarHBondContact ND1-CD2 3.37Å
154	V	82.3	Confident	82	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-51.4	-42	176.1	171.1	0	0	0	0	110.2	I156 N157 L158 I173 C199 V201 V206	V154-I156 VanDerWaalsContact C-N 3.33Å; V154-I156 PolarHBondContact O-N 3.49Å; V154-N157 PolarHBondContact O-N 2.95Å; V154-L158 HydrophobicContact CG1-CD1 3.82Å; V154-L158 HydrophobicContact CG1-CG 4.1Å; V154-L158 WeakPolarHBondContact O-CB 3.37Å; V154-L158 VanDerWaalsContact O-CG 3.22Å; V154-L158 WeakPolarHBondContact O-CG 3.39Å; V154-L158 PolarHBondContact O-N 2.91Å; V154-I173 HydrophobicContact CG1-CG2 3.86Å; V154-C199 HydrophobicContact CB-CB 3.96Å; V154-C199 HydrophobicContact CG2-CB 3.55Å; V154-C199 PolarHBondContact N-O 2.88Å; V154-V201 HydrophobicContact CG2-CG2 3.88Å; V154-V206 HydrophobicContact CG2-CB 4.47Å; V154-V206 HydrophobicContact CG2-CG1 3.58Å; V154-V206 HydrophobicContact CG2-CG2 4.13Å
155	L	83.2	Confident	82.2	Confident	34 Å²	34	51.9 Å²	51.9	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-54.7	-46.6	175.1	-172.6	64.1	0	0	0	112.7	H153 L158 Y159 A196 R197 G257	H153-L155 PolarHBondContact O-N 3.3Å; H153-L155 VanDerWaalsContact O-N 3.15Å; L155-L158 PolarHBondContact O-N 3.18Å; L155-Y159 HydrophobicContact CD1-CD2 4.03Å; L155-Y159 HydrophobicContact CD1-CE2 3.6Å; L155-Y159 HydrophobicContact CD2-CE2 4.3Å; L155-Y159 HydrophobicContact CG-CD2 3.9Å; L155-Y159 HydrophobicContact CG-CE2 3.72Å; L155-Y159 WeakPolarHBondContact O-CD2 3.43Å; L155-Y159 PolarHBondContact O-N 2.84Å; L155-A196 HydrophobicContact CB-CB 3.98Å; L155-A196 HydrophobicContact CD1-CB 4.07Å; L155-A196 PolarHBondContact N-O 2.81Å; L155-R197 HydrophobicContact CB-CB 4.49Å; L155-R197 HydrophobicContact CD2-CB 3.9Å; L155-G257 WeakPolarHBondContact CD1-O 3.33Å
156	I	78.1	Confident	82.6	Confident	64 Å²	64	57.3 Å²	57.3	33%	0.328	31%	0.312	S	S	.	.	H	α-helix	trans	-68.6	-40.3	-179.5	-59.8	174.4	0	0	0	110.7	K152 H153 V154 Y159 S160	K152-I156 HydrophobicContact CB-CB 3.95Å; K152-I156 HydrophobicContact CB-CD1 4.36Å; K152-I156 HydrophobicContact CB-CG2 4.05Å; K152-I156 HydrophobicContact CD-CB 4.33Å; K152-I156 HydrophobicContact CD-CG2 3.48Å; K152-I156 VanDerWaalsContact CD-CG2 3.48Å; K152-I156 HydrophobicContact CG-CG2 4.4Å; H153-I156 HydrophobicContact CB-CD1 4.27Å; H153-I156 HydrophobicContact CB-CG1 4.19Å; H153-I156 WeakPolarHBondContact O-CA 3.41Å; H153-I156 PolarHBondContact O-N 2.79Å; V154-I156 VanDerWaalsContact C-N 3.33Å; V154-I156 PolarHBondContact O-N 3.49Å; I156-Y159 PolarHBondContact O-N 3.45Å; I156-S160 PolarHBondContact O-N 2.88Å; I156-S160 PolarHBondContact O-OG 3.41Å; I156-S160 VanDerWaalsContact O-OG 3.09Å
157	N	81.5	Confident	82.9	Confident	37 Å²	37	59.1 Å²	59.1	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-47.1	175.5	-77.8	35.1	0	0	0	111.2	K152 H153 V154 Y159 S160 E161	K152-N157 WeakPolarHBondContact CB-OD1 3.4Å; H153-N157 PolarHBondContact O-N 2.78Å; V154-N157 PolarHBondContact O-N 2.95Å; N157-Y159 VanDerWaalsContact C-N 3.32Å; N157-Y159 PolarHBondContact O-N 3.46Å; N157-S160 WeakPolarHBondContact CA-OG 3.02Å; N157-S160 PolarHBondContact O-N 3.32Å; N157-S160 VanDerWaalsContact O-N 3.16Å; N157-S160 PolarHBondContact O-OG 3.02Å; N157-E161 WeakPolarHBondContact O-CB 3.32Å; N157-E161 PolarHBondContact O-N 3.15Å
158	L	84.7	Confident	83.2	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-57.3	-44.2	175.9	-69.3	168.2	0	0	0	111.8	V154 L155 E161 K162 L165 I253	V154-L158 HydrophobicContact CG1-CD1 3.82Å; V154-L158 HydrophobicContact CG1-CG 4.1Å; V154-L158 WeakPolarHBondContact O-CB 3.37Å; V154-L158 VanDerWaalsContact O-CG 3.22Å; V154-L158 WeakPolarHBondContact O-CG 3.39Å; V154-L158 PolarHBondContact O-N 2.91Å; L155-L158 PolarHBondContact O-N 3.18Å; L158-E161 CarbonylContact O-C 3.58Å; L158-K162 WeakPolarHBondContact O-CA 3.36Å; L158-K162 PolarHBondContact O-N 3.34Å; L158-K162 VanDerWaalsContact O-N 3.08Å; L158-L165 HydrophobicContact CD2-CD1 3.81Å; L158-I253 HydrophobicContact CD1-CB 4.43Å; L158-I253 HydrophobicContact CD1-CG1 4.05Å; L158-I253 HydrophobicContact CD2-CG2 4.28Å
159	Y	81.6	Confident	83.5	Confident	111 Å²	111	64.2 Å²	64.2	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-41.9	175.9	-86.6	-68.5	0	0	0	112.7	L155 I156 N157 K162 G257	L155-Y159 HydrophobicContact CD1-CD2 4.03Å; L155-Y159 HydrophobicContact CD1-CE2 3.6Å; L155-Y159 HydrophobicContact CD2-CE2 4.3Å; L155-Y159 HydrophobicContact CG-CD2 3.9Å; L155-Y159 HydrophobicContact CG-CE2 3.72Å; L155-Y159 WeakPolarHBondContact O-CD2 3.43Å; L155-Y159 PolarHBondContact O-N 2.84Å; I156-Y159 PolarHBondContact O-N 3.45Å; N157-Y159 VanDerWaalsContact C-N 3.32Å; N157-Y159 PolarHBondContact O-N 3.46Å; Y159-K162 WeakPolarHBondContact O-CB 3.37Å; Y159-G257 WeakPolarHBondContact CE2-O 3.18Å; Y159-G257 PolarHBondContact OH-O 2.91Å
160	S	82.4	Confident	83.8	Confident	71 Å²	71	64.1 Å²	64.1	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-74.1	-25.8	-179.1	55.5	0	0	0	0	113.8	I156 N157	I156-S160 PolarHBondContact O-N 2.88Å; I156-S160 PolarHBondContact O-OG 3.41Å; I156-S160 VanDerWaalsContact O-OG 3.09Å; N157-S160 WeakPolarHBondContact CA-OG 3.02Å; N157-S160 PolarHBondContact O-N 3.32Å; N157-S160 VanDerWaalsContact O-N 3.16Å; N157-S160 PolarHBondContact O-OG 3.02Å
161	E	81.6	Confident	84.9	Confident	75 Å²	75	59.9 Å²	59.9	35%	0.35	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	22.3	179.9	-62	177.6	176.4	0	0	111.7	N157 L158 G163 N164 L165	N157-E161 WeakPolarHBondContact O-CB 3.32Å; N157-E161 PolarHBondContact O-N 3.15Å; L158-E161 CarbonylContact O-C 3.58Å; E161-G163 PolarHBondContact O-N 2.89Å; E161-N164 WeakPolarHBondContact O-CB 3.5Å; E161-N164 PolarHBondContact O-N 3.17Å; E161-L165 HydrophobicContact CB-CD1 4.29Å; E161-L165 HydrophobicContact CB-CG 4.01Å; E161-L165 WeakPolarHBondContact OE2-CD2 3.33Å; E161-L165 WeakPolarHBondContact OE2-CG 3.38Å
162	K	81.6	Confident	86.4	Confident	125 Å²	125	63 Å²	63	54%	0.543	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	124.5	-178.3	179.7	174.4	-179.1	-173.5	0	110.7	L158 Y159 N164 D256	L158-K162 WeakPolarHBondContact O-CA 3.36Å; L158-K162 PolarHBondContact O-N 3.34Å; L158-K162 VanDerWaalsContact O-N 3.08Å; Y159-K162 WeakPolarHBondContact O-CB 3.37Å; K162-N164 VanDerWaalsContact C-N 3.29Å; K162-N164 PolarHBondContact O-N 3.43Å; K162-D256 HydrophobicContact CB-CB 4.1Å; K162-D256 HydrophobicContact CG-CB 3.77Å
163	G	81.3	Confident	87.5	Confident	63 Å²	63	58.8 Å²	58.8	65%	0.649	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-7	-175.4	0	0	0	0	0	116.1	E161 D256	E161-G163 PolarHBondContact O-N 2.89Å; G163-D256 PolarHBondContact N-OD2 2.83Å
164	N	87.2	Confident	88.3	Confident	128 Å²	128	56.7 Å²	56.7	68%	0.684	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-18.6	-175.6	-63.7	-29.7	0	0	0	114	E161 K162	E161-N164 WeakPolarHBondContact O-CB 3.5Å; E161-N164 PolarHBondContact O-N 3.17Å; K162-N164 VanDerWaalsContact C-N 3.29Å; K162-N164 PolarHBondContact O-N 3.43Å
165	L	90.6	Very high	89	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	29%	0.285	C	S	.	.			trans	-81.4	119.6	-179.8	-77.4	175.1	0	0	0	112.4	L158 E161 Q169 K170 I173	L158-L165 HydrophobicContact CD2-CD1 3.81Å; E161-L165 HydrophobicContact CB-CD1 4.29Å; E161-L165 HydrophobicContact CB-CG 4.01Å; E161-L165 WeakPolarHBondContact OE2-CD2 3.33Å; E161-L165 WeakPolarHBondContact OE2-CG 3.38Å; L165-Q169 HydrophobicContact CD2-CB 3.93Å; L165-Q169 HydrophobicContact CD2-CG 4.43Å; L165-K170 HydrophobicContact CB-CG 4.2Å; L165-K170 WeakPolarHBondContact O-CE 3.48Å; L165-I173 HydrophobicContact CD1-CD1 4.48Å
166	E	93.8	Very high	89.6	Confident	114 Å²	114	55.4 Å²	55.4	53%	0.533	28%	0.278	S	S	.	.			trans	-65.6	154.5	173.4	-62.9	-175.5	155.9	0	0	111.7	K168 Q169 K170	E166-K168 PolarHBondContact O-N 2.9Å; E166-K168 VanDerWaalsContact O-N 3.16Å; E166-Q169 WeakPolarHBondContact O-CB 3.44Å; E166-Q169 PolarHBondContact O-N 3.44Å; E166-K170 PolarHBondContact O-N 2.98Å
167	W	95.2	Very high	90.6	Very high	55 Å²	55	52.4 Å²	52.4	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-30.1	175.6	-72.1	114.7	0	0	0	113.5	K170 S171 F254 E289 T290 P291 L294 L326	W167-K170 HydrophobicContact CD2-CD 4.36Å; W167-K170 HydrophobicContact CE3-CB 4.26Å; W167-K170 HydrophobicContact CE3-CD 3.75Å; W167-K170 HydrophobicContact CH2-CD 4.27Å; W167-K170 HydrophobicContact CZ3-CD 3.72Å; W167-S171 VanDerWaalsContact O-CB 3.28Å; W167-S171 WeakPolarHBondContact O-CB 3.37Å; W167-S171 PolarHBondContact O-N 3.2Å; W167-S171 PolarHBondContact O-OG 3.24Å; W167-F254 HydrophobicContact CH2-CB 4.03Å; W167-F254 HydrophobicContact CH2-CG 4.41Å; W167-F254 HydrophobicContact CZ3-CB 4.01Å; W167-F254 AromaticContact CZ3-CD1 3.73Å; W167-F254 HydrophobicContact CZ3-CD1 3.73Å; W167-F254 HydrophobicContact CZ3-CE1 4.46Å; W167-F254 AromaticContact CZ3-CG 3.95Å; W167-F254 HydrophobicContact CZ3-CG 3.95Å; W167-E289 VanDerWaalsContact CE2-O 3.31Å; W167-E289 HydrophobicContact CZ2-CB 4.21Å; W167-E289 WeakPolarHBondContact CZ2-O 3.47Å; W167-E289 PolarHBondContact NE1-O 3.08Å; W167-T290 VanDerWaalsContact CH2-CA 3.46Å; W167-T290 HydrophobicContact CH2-CG2 3.83Å; W167-T290 VanDerWaalsContact CH2-OG1 3.26Å; W167-T290 WeakPolarHBondContact CH2-OG1 3.26Å; W167-T290 HydrophobicContact CZ3-CG2 3.91Å; W167-P291 HydrophobicContact CB-CG 4.05Å; W167-P291 HydrophobicContact CD2-CG 3.8Å; W167-P291 VanDerWaalsContact CE3-CD 3.49Å; W167-P291 HydrophobicContact CE3-CG 4.2Å; W167-P291 HydrophobicContact CG-CG 3.68Å; W167-L294 HydrophobicContact CE3-CD1 3.76Å; W167-L294 HydrophobicContact CZ3-CD1 4.28Å; W167-L326 HydrophobicContact CB-CD1 4.24Å; W167-L326 HydrophobicContact CB-CD2 4.44Å
168	K	94.8	Very high	91.4	Very high	77 Å²	77	50.6 Å²	50.6	34%	0.335	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-47.7	172.5	-178.2	178.3	62.8	-172.5	0	111.2	E166 S171 R172 Y323 L326	E166-K168 PolarHBondContact O-N 2.9Å; E166-K168 VanDerWaalsContact O-N 3.16Å; K168-S171 PolarHBondContact O-N 3.07Å; K168-R172 PolarHBondContact O-N 3.29Å; K168-Y323 HydrophobicContact CG-CD2 4.29Å; K168-Y323 HydrophobicContact CG-CE2 3.77Å; K168-Y323 WeakPolarHBondContact O-CD2 2.85Å; K168-Y323 WeakPolarHBondContact O-CE2 3.49Å; K168-L326 HydrophobicContact CB-CB 4.12Å; K168-L326 WeakPolarHBondContact CD-O 3.43Å; K168-L326 HydrophobicContact CG-CB 4.42Å
169	Q	93.7	Very high	91.9	Very high	83 Å²	83	52 Å²	52	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-44.3	179.2	-64.2	167.7	-56.5	0	0	111.2	L165 E166 S171 R172 I173	L165-Q169 HydrophobicContact CD2-CB 3.93Å; L165-Q169 HydrophobicContact CD2-CG 4.43Å; E166-Q169 WeakPolarHBondContact O-CB 3.44Å; E166-Q169 PolarHBondContact O-N 3.44Å; Q169-S171 VanDerWaalsContact C-N 3.32Å; Q169-S171 PolarHBondContact O-N 3.45Å; Q169-R172 WeakPolarHBondContact O-CB 3.34Å; Q169-R172 PolarHBondContact O-N 3.2Å; Q169-R172 VanDerWaalsContact O-N 3.16Å; Q169-I173 WeakPolarHBondContact O-CG1 3.45Å; Q169-I173 PolarHBondContact O-N 3.37Å
170	K	95.9	Very high	92.6	Very high	11 Å²	11	46.7 Å²	46.7	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-56.6	-45.5	173.9	-69.9	-178.4	175.8	-176.6	0	111.5	L165 E166 W167 R172 I173 C174 I253 F254 D256	L165-K170 HydrophobicContact CB-CG 4.2Å; L165-K170 WeakPolarHBondContact O-CE 3.48Å; E166-K170 PolarHBondContact O-N 2.98Å; W167-K170 HydrophobicContact CD2-CD 4.36Å; W167-K170 HydrophobicContact CE3-CB 4.26Å; W167-K170 HydrophobicContact CE3-CD 3.75Å; W167-K170 HydrophobicContact CH2-CD 4.27Å; W167-K170 HydrophobicContact CZ3-CD 3.72Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 2.02Å; K170-I173 WeakPolarHBondContact O-CB 3.15Å; K170-I173 PolarHBondContact O-N 3.44Å; K170-C174 PolarHBondContact O-N 3.33Å; K170-C174 PolarHBondContact O-SG 3.29Å; K170-I253 HydrophobicContact CB-CG2 3.83Å; K170-I253 HydrophobicContact CG-CG2 4Å; K170-F254 PolarHBondContact NZ-O 3.26Å; K170-F254 VanDerWaalsContact NZ-O 3.1Å; K170-D256 WeakPolarHBondContact CE-OD1 3.21Å; K170-D256 IonicContact NZ-OD1 3.79Å; K170-D256 PolarHBondContact NZ-OD1 3.3Å; K170-D256 IonicContact NZ-OD2 3.34Å
171	S	96.1	Very high	93.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-37.4	177.8	-59	0	0	0	0	112.5	W167 K168 Q169 C174 L175 L326	W167-S171 VanDerWaalsContact O-CB 3.28Å; W167-S171 WeakPolarHBondContact O-CB 3.37Å; W167-S171 PolarHBondContact O-N 3.2Å; W167-S171 PolarHBondContact O-OG 3.24Å; K168-S171 PolarHBondContact O-N 3.07Å; Q169-S171 VanDerWaalsContact C-N 3.32Å; Q169-S171 PolarHBondContact O-N 3.45Å; S171-C174 WeakPolarHBondContact O-CB 3.29Å; S171-C174 PolarHBondContact O-N 3.25Å; S171-L175 WeakPolarHBondContact O-CB 3.09Å; S171-L175 PolarHBondContact O-N 3.42Å; S171-L326 WeakPolarHBondContact OG-CD1 2.88Å
172	R	95.5	Very high	93.9	Very high	89 Å²	89	42.1 Å²	42.1	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-44.7	174.2	-168.5	178.5	175.6	176.1	-5	112.2	K168 Q169 K170 L175 H176 Y323	K168-R172 PolarHBondContact O-N 3.29Å; Q169-R172 WeakPolarHBondContact O-CB 3.34Å; Q169-R172 PolarHBondContact O-N 3.2Å; Q169-R172 VanDerWaalsContact O-N 3.16Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 2.02Å; R172-L175 PolarHBondContact O-N 3.21Å; R172-H176 PolarHBondContact O-CD2 3.4Å; R172-H176 PolarHBondContact O-N 3.08Å; R172-Y323 HydrophobicContact CB-CD2 4.13Å; R172-Y323 HydrophobicContact CB-CE2 3.59Å; R172-Y323 HydrophobicContact CG-CE2 4.11Å
173	I	95.7	Very high	94.5	Very high	28 Å²	28	36.7 Å²	36.7	14%	0.144	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-49.5	175.8	-65.3	169.8	0	0	0	109.6	V154 L165 Q169 K170 L175 H176 V177 V206 I253	V154-I173 HydrophobicContact CG1-CG2 3.86Å; L165-I173 HydrophobicContact CD1-CD1 4.48Å; Q169-I173 WeakPolarHBondContact O-CG1 3.45Å; Q169-I173 PolarHBondContact O-N 3.37Å; K170-I173 WeakPolarHBondContact O-CB 3.15Å; K170-I173 PolarHBondContact O-N 3.44Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 2.87Å; I173-H176 PolarHBondContact O-N 2.95Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 3.22Å; I173-V177 VanDerWaalsContact O-N 3.15Å; I173-V206 HydrophobicContact CB-CG2 4.29Å; I173-V206 HydrophobicContact CG1-CG2 4.11Å; I173-V206 HydrophobicContact CG2-CG2 4.02Å; I173-I253 HydrophobicContact CB-CD1 4.42Å; I173-I253 HydrophobicContact CG2-CD1 3.58Å; I173-I253 HydrophobicContact CG2-CG1 4.16Å
174	C	97.7	Very high	95.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-45	176.9	-61.8	0	0	0	0	112	K170 S171 V177 A178 L250 I253 L319	K170-C174 PolarHBondContact O-N 3.33Å; K170-C174 PolarHBondContact O-SG 3.29Å; S171-C174 WeakPolarHBondContact O-CB 3.29Å; S171-C174 PolarHBondContact O-N 3.25Å; C174-V177 PolarHBondContact O-N 2.99Å; C174-A178 WeakPolarHBondContact O-CB 3.49Å; C174-A178 PolarHBondContact O-N 3.29Å; C174-L250 HydrophobicContact CB-CD2 3.6Å; C174-L250 WeakPolarHBondContact SG-CD2 3.42Å; C174-I253 VanDerWaalsContact SG-CD1 3.54Å; C174-L319 HydrophobicContact CB-CD1 4.01Å; C174-L319 HydrophobicContact CB-CD2 3.78Å
175	L	97.2	Very high	95.3	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-44.3	-180	176.4	57.1	0	0	0	112.1	S171 R172 I173 V177 A178 R179 R316 L319 E320 Y323 L330	S171-L175 WeakPolarHBondContact O-CB 3.09Å; S171-L175 PolarHBondContact O-N 3.42Å; R172-L175 PolarHBondContact O-N 3.21Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 2.87Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 2.89Å; L175-A178 PolarHBondContact O-N 2.9Å; L175-R179 HydrophobicContact CD1-CG 4.33Å; L175-R179 WeakPolarHBondContact O-CG 3.36Å; L175-R179 PolarHBondContact O-N 3.43Å; L175-R316 HydrophobicContact CD1-CG 3.88Å; L175-L319 HydrophobicContact CB-CB 4.25Å; L175-L319 HydrophobicContact CD1-CB 4.04Å; L175-E320 HydrophobicContact CD1-CG 3.55Å; L175-E320 HydrophobicContact CD2-CG 4Å; L175-E320 HydrophobicContact CG-CG 4.44Å; L175-Y323 HydrophobicContact CD2-CD1 4.18Å; L175-Y323 HydrophobicContact CD2-CG 4.44Å; L175-L330 HydrophobicContact CD2-CD2 4Å
176	H	96.5	Very high	95.3	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-46.3	175.8	-73.2	-178.1	0	0	0	111.7	H128 R172 I173 R179 G180 D204 V206	H128-H176 WeakPolarHBondContact CB-O 3.11Å; H128-H176 AromaticContact CE1-CD2 3.32Å; H128-H176 PolarHBondContact CE1-CD2 3.16Å; H128-H176 AromaticContact CE1-CG 3.28Å; H128-H176 AromaticContact CE1-ND1 3.83Å; H128-H176 AromaticContact CE1-NE2 3.88Å; H128-H176 VanDerWaalsContact CG-O 3.28Å; H128-H176 AromaticContact ND1-CG 3.72Å; H128-H176 AromaticContact NE2-CD2 3.83Å; R172-H176 PolarHBondContact O-CD2 3.4Å; R172-H176 PolarHBondContact O-N 3.08Å; I173-H176 PolarHBondContact O-N 2.95Å; H176-R179 PolarHBondContact O-N 3.36Å; H176-G180 PolarHBondContact O-N 3.09Å; H176-G180 VanDerWaalsContact O-N 3.14Å; H176-D204 PolarHBondContact CE1-O 3.04Å; H176-D204 VanDerWaalsContact CE1-O 3.3Å; H176-V206 HydrophobicContact CB-CB 3.73Å; H176-V206 HydrophobicContact CB-CG2 4.34Å; H176-V206 PolarHBondContact ND1-N 3.36Å; H176-V206 VanDerWaalsContact ND1-N 3.18Å
177	V	97.7	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-41.3	176.8	-178.6	0	0	0	0	110.8	I173 C174 L175 R179 G180 M181 L194 V206 I208 F246 L249	I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 3.22Å; I173-V177 VanDerWaalsContact O-N 3.15Å; C174-V177 PolarHBondContact O-N 2.99Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 2.89Å; V177-R179 VanDerWaalsContact C-N 3.35Å; V177-R179 PolarHBondContact O-N 2.86Å; V177-G180 PolarHBondContact O-N 3.37Å; V177-M181 HydrophobicContact CG1-CG 4.3Å; V177-M181 WeakPolarHBondContact O-CG 3.39Å; V177-M181 PolarHBondContact O-N 3.29Å; V177-L194 HydrophobicContact CG1-CD1 4.16Å; V177-V206 HydrophobicContact CG2-CG1 3.66Å; V177-I208 HydrophobicContact CG1-CD1 4.11Å; V177-I208 HydrophobicContact CG1-CG1 4.31Å; V177-F246 HydrophobicContact CB-CE2 4.04Å; V177-F246 HydrophobicContact CG1-CD2 4.01Å; V177-F246 HydrophobicContact CG1-CE2 3.76Å; V177-L249 HydrophobicContact CG1-CD1 3.97Å; V177-L249 HydrophobicContact CG1-CD2 4.23Å; V177-L249 HydrophobicContact CG2-CD2 4.46Å
178	A	97.7	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-41.6	177.9	0	0	0	0	0	112.4	C174 L175 M181 E182 F246 I315 R316 L319	C174-A178 WeakPolarHBondContact O-CB 3.49Å; C174-A178 PolarHBondContact O-N 3.29Å; L175-A178 PolarHBondContact O-N 2.9Å; A178-M181 PolarHBondContact O-N 3.3Å; A178-E182 WeakPolarHBondContact O-CB 3.17Å; A178-E182 PolarHBondContact O-N 2.88Å; A178-F246 HydrophobicContact CB-CE2 4.08Å; A178-F246 HydrophobicContact CB-CZ 3.85Å; A178-I315 HydrophobicContact CB-CG2 4.16Å; A178-R316 HydrophobicContact CB-CB 4.36Å; A178-L319 HydrophobicContact CB-CD1 3.66Å
179	R	96.1	Very high	94.2	Very high	29 Å²	29	26.2 Å²	26.2	11%	0.109	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-45.9	174	-74.1	176.3	173.2	179.4	-2.9	111.6	L175 H176 V177 M181 E182 Y183 R316 E320	L175-R179 HydrophobicContact CD1-CG 4.33Å; L175-R179 WeakPolarHBondContact O-CG 3.36Å; L175-R179 PolarHBondContact O-N 3.43Å; H176-R179 PolarHBondContact O-N 3.36Å; V177-R179 VanDerWaalsContact C-N 3.35Å; V177-R179 PolarHBondContact O-N 2.86Å; R179-M181 PolarHBondContact O-N 3.18Å; R179-E182 PolarHBondContact O-N 3.39Å; R179-Y183 PolarHBondContact O-N 3.25Å; R179-Y183 VanDerWaalsContact O-N 3.1Å; R179-R316 HydrophobicContact CG-CG 4.03Å; R179-E320 IonicContact CZ-OE1 3.04Å; R179-E320 IonicContact NE-OE1 2.95Å; R179-E320 IonicContact NH2-OE1 3.72Å; R179-E320 PolarHBondContact NH2-OE1 3.15Å
180	G	96.1	Very high	94	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-43.6	175.3	0	0	0	0	0	112.9	H176 V177 Y183 L184	H176-G180 PolarHBondContact O-N 3.09Å; H176-G180 VanDerWaalsContact O-N 3.14Å; V177-G180 PolarHBondContact O-N 3.37Å; G180-Y183 WeakPolarHBondContact O-CB 3.22Å; G180-Y183 PolarHBondContact O-N 2.87Å; G180-L184 WeakPolarHBondContact O-CG 3.48Å; G180-L184 PolarHBondContact O-N 2.75Å
181	M	96.9	Very high	93.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-71.7	-33.9	179.1	-70.7	-54.9	-54.2	0	0	113.6	V177 A178 R179 Y183 L184 A185 H191 L194 I208 D242 F312	V177-M181 HydrophobicContact CG1-CG 4.3Å; V177-M181 WeakPolarHBondContact O-CG 3.39Å; V177-M181 PolarHBondContact O-N 3.29Å; A178-M181 PolarHBondContact O-N 3.3Å; R179-M181 PolarHBondContact O-N 3.18Å; M181-Y183 VanDerWaalsContact C-N 3.3Å; M181-L184 HydrophobicContact CE-CD1 4.41Å; M181-L184 PolarHBondContact O-N 2.98Å; M181-L184 HydrophobicContact SD-CD1 3.86Å; M181-A185 VanDerWaalsContact O-CB 3.28Å; M181-A185 WeakPolarHBondContact O-CB 3.33Å; M181-A185 PolarHBondContact O-N 2.98Å; M181-H191 HydrophobicContact CE-CB 4.11Å; M181-H191 HydrophobicContact SD-CB 4.36Å; M181-L194 HydrophobicContact CE-CD2 4.21Å; M181-L194 HydrophobicContact CG-CD1 4.41Å; M181-L194 HydrophobicContact CG-CD2 3.87Å; M181-L194 HydrophobicContact SD-CD1 3.92Å; M181-L194 HydrophobicContact SD-CD2 3.81Å; M181-L194 HydrophobicContact SD-CG 4.39Å; M181-I208 HydrophobicContact CG-CD1 3.65Å; M181-I208 HydrophobicContact SD-CD1 3.59Å; M181-I208 VanDerWaalsContact SD-CD1 3.59Å; M181-D242 HydrophobicContact CE-CB 3.53Å; M181-F312 HydrophobicContact CB-CD1 3.45Å; M181-F312 VanDerWaalsContact CB-CD1 3.45Å; M181-F312 HydrophobicContact CB-CD2 3.95Å; M181-F312 HydrophobicContact CB-CE1 3.38Å; M181-F312 HydrophobicContact CB-CE2 3.88Å; M181-F312 HydrophobicContact CB-CG 3.76Å; M181-F312 HydrophobicContact CB-CZ 3.61Å; M181-F312 HydrophobicContact CE-CE1 4.47Å; M181-F312 HydrophobicContact CE-CE2 3.65Å; M181-F312 HydrophobicContact CE-CZ 3.62Å; M181-F312 HydrophobicContact CG-CD1 4.38Å; M181-F312 HydrophobicContact CG-CE1 3.85Å; M181-F312 HydrophobicContact CG-CZ 3.93Å
182	E	95.4	Very high	93.4	Very high	49 Å²	49	22.7 Å²	22.7	23%	0.229	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-43.6	170.4	-176.4	-177.3	-153.9	0	0	110.7	A178 R179 A185 K186 F312 K313 R316	A178-E182 WeakPolarHBondContact O-CB 3.17Å; A178-E182 PolarHBondContact O-N 2.88Å; R179-E182 PolarHBondContact O-N 3.39Å; E182-A185 PolarHBondContact O-N 3.06Å; E182-K186 WeakPolarHBondContact O-CB 3.34Å; E182-K186 PolarHBondContact O-N 3.16Å; E182-F312 HydrophobicContact CB-CB 3.99Å; E182-K313 WeakPolarHBondContact OE1-CA 3.49Å; E182-K313 VanDerWaalsContact OE1-CB 3.29Å; E182-K313 WeakPolarHBondContact OE1-CB 3.45Å; E182-K313 WeakPolarHBondContact OE1-CG 3.47Å; E182-R316 IonicContact OE1-NE 3.14Å; E182-R316 IonicContact OE1-NH2 3.4Å; E182-R316 WeakPolarHBondContact OE2-CD 3.15Å; E182-R316 IonicContact OE2-CZ 3.27Å; E182-R316 IonicContact OE2-NE 2.69Å; E182-R316 PolarHBondContact OE2-NE 2.76Å
183	Y	94.1	Very high	93.1	Very high	12 Å²	12	18.5 Å²	18.5	5%	0.047	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-51.8	174.8	176.6	-104.6	0	0	0	111.8	L124 N125 H126 I129 R179 G180 M181 A185 K186 C187 E339 T342	L124-Y183 HydrophobicContact CB-CE1 4.07Å; L124-Y183 HydrophobicContact CD2-CD1 4.39Å; L124-Y183 HydrophobicContact CD2-CE1 3.53Å; L124-Y183 HydrophobicContact CG-CE1 4.34Å; N125-Y183 PolarHBondContact N-OH 2.85Å; N125-Y183 PolarHBondContact O-OH 2.95Å; H126-Y183 HydrophobicContact CB-CD1 3.48Å; H126-Y183 VanDerWaalsContact CB-CD1 3.48Å; H126-Y183 HydrophobicContact CB-CD2 4.16Å; H126-Y183 HydrophobicContact CB-CE1 3.57Å; H126-Y183 HydrophobicContact CB-CE2 4.27Å; H126-Y183 HydrophobicContact CB-CG 3.76Å; H126-Y183 AromaticContact CD2-CD2 3.97Å; H126-Y183 AromaticContact CD2-CG 3.84Å; H126-Y183 AromaticContact CG-CD1 3.9Å; H126-Y183 AromaticContact CG-CG 3.74Å; I129-Y183 HydrophobicContact CG1-CD1 3.97Å; I129-Y183 HydrophobicContact CG1-CE1 4.43Å; R179-Y183 PolarHBondContact O-N 3.25Å; R179-Y183 VanDerWaalsContact O-N 3.1Å; G180-Y183 WeakPolarHBondContact O-CB 3.22Å; G180-Y183 PolarHBondContact O-N 2.87Å; M181-Y183 VanDerWaalsContact C-N 3.3Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 3.39Å; Y183-K186 WeakPolarHBondContact O-CB 3.5Å; Y183-K186 PolarHBondContact O-N 3.35Å; Y183-K186 VanDerWaalsContact O-N 3.11Å; Y183-C187 PolarHBondContact O-N 2.72Å; Y183-C187 PolarHBondContact O-SG 2.87Å; Y183-E339 WeakPolarHBondContact CE2-O 3.39Å; Y183-T342 PolarHBondContact OH-OG1 3.36Å
184	L	92.9	Very high	93	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57	-43.2	177	-68.8	180	0	0	0	112.1	L124 I129 G180 M181 K186 C187 N188 I189 H191 L211	L124-L184 HydrophobicContact CD1-CD2 3.65Å; L124-L184 HydrophobicContact CD2-CD2 4.18Å; I129-L184 HydrophobicContact CD1-CD1 3.96Å; I129-L184 HydrophobicContact CD1-CD2 4.03Å; I129-L184 HydrophobicContact CD1-CG 3.8Å; G180-L184 WeakPolarHBondContact O-CG 3.48Å; G180-L184 PolarHBondContact O-N 2.75Å; M181-L184 HydrophobicContact CE-CD1 4.41Å; M181-L184 PolarHBondContact O-N 2.98Å; M181-L184 HydrophobicContact SD-CD1 3.86Å; L184-K186 PolarHBondContact O-N 2.9Å; L184-C187 CarbonylContact O-C 3.54Å; L184-C187 PolarHBondContact O-N 3.15Å; L184-C187 VanDerWaalsContact O-N 3.13Å; L184-N188 PolarHBondContact O-N 3.46Å; L184-I189 HydrophobicContact CB-CB 4.31Å; L184-I189 HydrophobicContact CD2-CB 4.3Å; L184-I189 HydrophobicContact CD2-CD1 4.29Å; L184-I189 HydrophobicContact CD2-CG2 4.2Å; L184-I189 PolarHBondContact O-N 3.21Å; L184-H191 HydrophobicContact CD1-CB 4.45Å; L184-L211 HydrophobicContact CD1-CD2 4.29Å
185	A	91.9	Very high	92.8	Very high	48 Å²	48	17.2 Å²	17.2	40%	0.397	9%	0.089	S	C	.	.	H	α-helix	trans	-62.2	-41.4	177.2	0	0	0	0	0	112.1	M181 E182 Y183 C187 N188 F312	M181-A185 VanDerWaalsContact O-CB 3.28Å; M181-A185 WeakPolarHBondContact O-CB 3.33Å; M181-A185 PolarHBondContact O-N 2.98Å; E182-A185 PolarHBondContact O-N 3.06Å; Y183-A185 VanDerWaalsContact C-N 3.3Å; Y183-A185 PolarHBondContact O-N 3.39Å; A185-C187 PolarHBondContact O-N 3.04Å; A185-N188 PolarHBondContact O-N 2.86Å; A185-F312 HydrophobicContact CB-CD2 4.07Å
186	K	90.1	Very high	92.6	Very high	104 Å²	104	17 Å²	17	45%	0.452	9%	0.089	S	C	.	.	H	α-helix	trans	-60.9	-34.6	174.2	-173.5	-174.7	178.7	-168.2	0	111.9	E182 Y183 L184 N188 M340	E182-K186 WeakPolarHBondContact O-CB 3.34Å; E182-K186 PolarHBondContact O-N 3.16Å; Y183-K186 WeakPolarHBondContact O-CB 3.5Å; Y183-K186 PolarHBondContact O-N 3.35Å; Y183-K186 VanDerWaalsContact O-N 3.11Å; L184-K186 PolarHBondContact O-N 2.9Å; K186-N188 PolarHBondContact O-N 3.48Å; K186-M340 PolarHBondContact NZ-O 2.84Å
187	C	86.4	Confident	92.4	Very high	18 Å²	18	19.9 Å²	19.9	12%	0.122	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7.5	175.9	-49.6	0	0	0	0	113.2	L124 Y183 L184 A185 I189 C343	L124-C187 HydrophobicContact CD2-CB 4.31Å; Y183-C187 PolarHBondContact O-N 2.72Å; Y183-C187 PolarHBondContact O-SG 2.87Å; L184-C187 CarbonylContact O-C 3.54Å; L184-C187 PolarHBondContact O-N 3.15Å; L184-C187 VanDerWaalsContact O-N 3.13Å; A185-C187 PolarHBondContact O-N 3.04Å; C187-I189 VanDerWaalsContact C-N 3.26Å; C187-I189 HydrophobicContact CB-CD1 4.21Å; C187-I189 HydrophobicContact CB-CG1 4.23Å; C187-I189 PolarHBondContact O-N 3Å; C187-C343 HydrophobicContact CB-CB 3.97Å; C187-C343 WeakPolarHBondContact CB-SG 3.2Å; C187-C343 WeakPolarHBondContact SG-CB 3.4Å; C187-C343 CovalentContact SG-SG 2.02Å; C187-C343 PolarHBondContact SG-SG 2.63Å
188	N	87.7	Confident	92.1	Very high	58 Å²	58	20.5 Å²	20.5	31%	0.31	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	38.8	-174	-57.5	-75.5	0	0	0	113	L184 A185 K186 T216 G217	L184-N188 PolarHBondContact O-N 3.46Å; A185-N188 PolarHBondContact O-N 2.86Å; K186-N188 PolarHBondContact O-N 3.48Å; N188-T216 CarbonylContact O-C 3.57Å; N188-T216 VanDerWaalsContact O-CA 3.26Å; N188-T216 WeakPolarHBondContact O-CA 3.47Å; N188-G217 PolarHBondContact O-N 3.28Å
189	I	88.1	Confident	92	Very high	9 Å²	9	20.5 Å²	20.5	5%	0.046	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.4	176.4	-63.3	177.7	0	0	0	109.4	L124 L184 C187 A214	L124-I189 HydrophobicContact CD1-CD1 3.95Å; L124-I189 HydrophobicContact CD2-CD1 3.63Å; L124-I189 HydrophobicContact CG-CD1 4.18Å; L184-I189 HydrophobicContact CB-CB 4.31Å; L184-I189 HydrophobicContact CD2-CB 4.3Å; L184-I189 HydrophobicContact CD2-CD1 4.29Å; L184-I189 HydrophobicContact CD2-CG2 4.2Å; L184-I189 PolarHBondContact O-N 3.21Å; C187-I189 VanDerWaalsContact C-N 3.26Å; C187-I189 HydrophobicContact CB-CD1 4.21Å; C187-I189 HydrophobicContact CB-CG1 4.23Å; C187-I189 PolarHBondContact O-N 3Å; I189-A214 HydrophobicContact CG2-CB 3.9Å
190	I	88.8	Confident	91.8	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.072	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.7	169.4	-51	172.1	0	0	0	107.3	R192 A214 R215 G217 W220 Y240 D242	I190-R192 HydrophobicContact CB-CG 4.22Å; I190-R192 HydrophobicContact CG2-CG 3.58Å; I190-A214 CarbonylContact O-C 3.6Å; I190-A214 WeakPolarHBondContact O-CA 3.05Å; I190-A214 WeakPolarHBondContact O-CB 3.44Å; I190-R215 PolarHBondContact N-O 2.67Å; I190-R215 PolarHBondContact O-N 3.39Å; I190-G217 WeakPolarHBondContact CG1-O 3.41Å; I190-W220 HydrophobicContact CD1-CB 3.79Å; I190-Y240 HydrophobicContact CG2-CD1 3.91Å; I190-Y240 HydrophobicContact CG2-CE1 4.42Å; I190-D242 VanDerWaalsContact CA-OD2 3.22Å; I190-D242 WeakPolarHBondContact CA-OD2 3.34Å; I190-D242 WeakPolarHBondContact CG2-OD2 3.39Å
191	H	90.8	Very high	91.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.			trans	-65.9	-47.1	-174.7	-173	-77.2	0	0	0	112.1	M181 L184 D193 L194 I208 S209 D210 L211 M213 A214 D242	M181-H191 HydrophobicContact CE-CB 4.11Å; M181-H191 HydrophobicContact SD-CB 4.36Å; L184-H191 HydrophobicContact CD1-CB 4.45Å; H191-D193 VanDerWaalsContact CE1-C 3.42Å; H191-D193 PolarHBondContact CE1-O 3.26Å; H191-D193 VanDerWaalsContact CE1-O 3.28Å; H191-D193 PolarHBondContact ND1-N 3.02Å; H191-D193 VanDerWaalsContact ND1-N 3.14Å; H191-D193 PolarHBondContact ND1-O 3.36Å; H191-D193 PolarHBondContact O-N 3.38Å; H191-D193 VanDerWaalsContact O-N 3.11Å; H191-L194 PolarHBondContact ND1-N 3.05Å; H191-I208 VanDerWaalsContact CD2-CG2 3.47Å; H191-I208 WeakPolarHBondContact CD2-CG2 3.45Å; H191-I208 VanDerWaalsContact NE2-CG2 3.35Å; H191-I208 WeakPolarHBondContact NE2-CG2 3.44Å; H191-S209 PolarHBondContact NE2-O 3.23Å; H191-D210 PolarHBondContact CE1-O 2.9Å; H191-L211 WeakPolarHBondContact CD2-CD2 3.28Å; H191-M213 CarbonylContact O-C 3.56Å; H191-A214 VanDerWaalsContact O-CA 3.29Å; H191-A214 WeakPolarHBondContact O-CA 3.45Å; H191-A214 PolarHBondContact O-N 2.98Å; H191-D242 WeakPolarHBondContact CB-OD1 3.49Å; H191-D242 PolarHBondContact N-OD1 3Å; H191-D242 PolarHBondContact N-OD2 2.85Å
192	R	88.5	Confident	91.2	Very high	6 Å²	6	24 Å²	24	2%	0.023	12%	0.122	C	C	.	.	S	Bend	trans	70.2	-11.1	177.9	-56.4	-162	-52	153.8	13.9	118.2	I190 M213 R215 W220 Y240 D242	I190-R192 HydrophobicContact CB-CG 4.22Å; I190-R192 HydrophobicContact CG2-CG 3.58Å; R192-M213 HydrophobicContact CB-CB 4.04Å; R192-M213 PolarHBondContact NE-O 3.5Å; R192-M213 PolarHBondContact NH2-O 3.32Å; R192-R215 VanDerWaalsContact NE-CG 3.34Å; R192-W220 VanDerWaalsContact CD-CE3 3.45Å; R192-W220 VanDerWaalsContact NH1-CH2 3.26Å; R192-Y240 VanDerWaalsContact C-CZ 3.41Å; R192-Y240 VanDerWaalsContact CA-CE1 3.41Å; R192-Y240 VanDerWaalsContact CA-OH 3.32Å; R192-Y240 WeakPolarHBondContact CA-OH 3.36Å; R192-Y240 HydrophobicContact CB-CD1 4.4Å; R192-Y240 HydrophobicContact CB-CE1 4.23Å; R192-Y240 HydrophobicContact CB-CE2 4.33Å; R192-Y240 HydrophobicContact CG-CD1 3.94Å; R192-Y240 HydrophobicContact CG-CE1 4.2Å; R192-Y240 HydrophobicContact CG-CG 4.23Å; R192-Y240 VanDerWaalsContact O-CE2 3.23Å; R192-Y240 WeakPolarHBondContact O-CE2 3.06Å; R192-Y240 PolarHBondContact O-OH 3.35Å; R192-D242 PolarHBondContact N-OD1 3.47Å
193	D	88.9	Confident	90.8	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	14%	0.142	C	C	.	.			trans	-135	42.2	169.7	-159.3	24.9	0	0	0	113.7	H191 A195 R197 N198 M213 P230	H191-D193 VanDerWaalsContact CE1-C 3.42Å; H191-D193 PolarHBondContact CE1-O 3.26Å; H191-D193 VanDerWaalsContact CE1-O 3.28Å; H191-D193 PolarHBondContact ND1-N 3.02Å; H191-D193 VanDerWaalsContact ND1-N 3.14Å; H191-D193 PolarHBondContact ND1-O 3.36Å; H191-D193 PolarHBondContact O-N 3.38Å; H191-D193 VanDerWaalsContact O-N 3.11Å; D193-A195 PolarHBondContact O-N 3.26Å; D193-R197 IonicContact OD1-CZ 2.65Å; D193-R197 IonicContact OD1-NH2 3Å; D193-R197 PolarHBondContact OD1-NH2 3.37Å; D193-R197 IonicContact OD2-NH2 3.2Å; D193-R197 PolarHBondContact OD2-NH2 3.32Å; D193-N198 PolarHBondContact O-ND2 3.44Å; D193-N198 PolarHBondContact OD2-ND2 3.32Å; D193-M213 HydrophobicContact CB-CB 4.25Å; D193-M213 HydrophobicContact CB-CG 4.34Å; D193-M213 HydrophobicContact CB-SD 3.86Å; D193-P230 WeakPolarHBondContact OD1-CB 3.38Å; D193-P230 VanDerWaalsContact OD1-CG 3.23Å; D193-P230 WeakPolarHBondContact OD1-CG 3.49Å
194	L	94.3	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.			trans	-72.8	122.6	-179.6	-177.2	67.3	0	0	0	110.1	V177 M181 H191 I208 A245 F246 L249	V177-L194 HydrophobicContact CG1-CD1 4.16Å; M181-L194 HydrophobicContact CE-CD2 4.21Å; M181-L194 HydrophobicContact CG-CD1 4.41Å; M181-L194 HydrophobicContact CG-CD2 3.87Å; M181-L194 HydrophobicContact SD-CD1 3.92Å; M181-L194 HydrophobicContact SD-CD2 3.81Å; M181-L194 HydrophobicContact SD-CG 4.39Å; H191-L194 PolarHBondContact ND1-N 3.05Å; L194-I208 HydrophobicContact CD1-CG2 4.3Å; L194-A245 HydrophobicContact CB-CB 3.99Å; L194-F246 HydrophobicContact CD2-CB 3.9Å; L194-F246 HydrophobicContact CD2-CD2 4.1Å; L194-L249 HydrophobicContact CD1-CD1 3.86Å; L194-L249 HydrophobicContact CD2-CD1 4.47Å; L194-L249 HydrophobicContact CG-CD1 3.88Å
195	A	93.5	Very high	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-163.3	162	178.1	0	0	0	0	0	109.9	D193 R197 N198 W233	D193-A195 PolarHBondContact O-N 3.26Å; A195-R197 HydrophobicContact CB-CG 4.1Å; A195-R197 VanDerWaalsContact CB-NH1 3.27Å; A195-R197 PolarHBondContact O-N 3.15Å; A195-N198 PolarHBondContact O-N 3.05Å; A195-W233 HydrophobicContact CB-CD2 4.13Å; A195-W233 HydrophobicContact CB-CG 4.17Å; A195-W233 HydrophobicContact CB-CZ2 4.33Å
196	A	93.3	Very high	90.5	Very high	1 Å²	1	32 Å²	32	1%	0.008	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-58.5	-31.4	179.1	0	0	0	0	0	113.3	L155 N198 C199 E252	L155-A196 HydrophobicContact CB-CB 3.98Å; L155-A196 HydrophobicContact CD1-CB 4.07Å; L155-A196 PolarHBondContact N-O 2.81Å; A196-N198 PolarHBondContact O-N 3.43Å; A196-C199 PolarHBondContact O-N 2.87Å; A196-E252 HydrophobicContact CB-CB 4.05Å; A196-E252 PolarHBondContact N-OE2 2.95Å
197	R	90.9	Very high	90.7	Very high	65 Å²	65	28 Å²	28	25%	0.245	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65	-25.6	174.8	69.8	177.8	-174.3	-76.2	-7.9	113.8	H153 L155 D193 A195	H153-R197 PolarHBondContact ND1-O 3.46Å; L155-R197 HydrophobicContact CB-CB 4.49Å; L155-R197 HydrophobicContact CD2-CB 3.9Å; D193-R197 IonicContact OD1-CZ 2.65Å; D193-R197 IonicContact OD1-NH2 3Å; D193-R197 PolarHBondContact OD1-NH2 3.37Å; D193-R197 IonicContact OD2-NH2 3.2Å; D193-R197 PolarHBondContact OD2-NH2 3.32Å; A195-R197 HydrophobicContact CB-CG 4.1Å; A195-R197 VanDerWaalsContact CB-NH1 3.27Å; A195-R197 PolarHBondContact O-N 3.15Å
198	N	92.4	Very high	91.2	Very high	14 Å²	14	27.2 Å²	27.2	8%	0.075	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-98.2	12	-179.8	-69.2	-15	0	0	0	111.8	D193 A195 A196 S209 D210	D193-N198 PolarHBondContact O-ND2 3.44Å; D193-N198 PolarHBondContact OD2-ND2 3.32Å; A195-N198 PolarHBondContact O-N 3.05Å; A196-N198 PolarHBondContact O-N 3.43Å; N198-S209 WeakPolarHBondContact O-CB 3.12Å; N198-S209 PolarHBondContact O-N 3.28Å; N198-S209 PolarHBondContact O-OG 2.9Å; N198-D210 HydrophobicContact CB-CB 4.44Å
199	C	94.7	Very high	91.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.2	168.8	-60.5	0	0	0	0	109.5	H153 V154 A196 V206 K207	H153-C199 CarbonylContact C-O 3.48Å; H153-C199 WeakPolarHBondContact CA-O 3.48Å; V154-C199 HydrophobicContact CB-CB 3.96Å; V154-C199 HydrophobicContact CG2-CB 3.55Å; V154-C199 PolarHBondContact N-O 2.88Å; A196-C199 PolarHBondContact O-N 2.87Å; C199-V206 HydrophobicContact CB-CG1 3.91Å; C199-K207 CarbonylContact C-O 3.41Å; C199-K207 WeakPolarHBondContact CA-O 3.44Å
200	L	92.7	Very high	91.2	Very high	31 Å²	31	25.8 Å²	25.8	16%	0.162	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	158.2	-180	-58.5	-180	0	0	0	110.5	V130 C149 H153 V206 K207	V130-L200 HydrophobicContact CG2-CD1 3.93Å; C149-L200 HydrophobicContact CB-CB 3.65Å; C149-L200 HydrophobicContact CB-CD1 3.98Å; C149-L200 HydrophobicContact CB-CG 4.4Å; H153-L200 HydrophobicContact CB-CD2 4.49Å; H153-L200 VanDerWaalsContact CE1-CD2 3.43Å; H153-L200 WeakPolarHBondContact CE1-CD2 3.45Å; H153-L200 WeakPolarHBondContact ND1-CD2 3.37Å; L200-V206 CarbonylContact O-C 3.53Å; L200-V206 WeakPolarHBondContact O-CA 3.48Å; L200-K207 PolarHBondContact N-O 3.27Å; L200-K207 PolarHBondContact O-N 3.29Å
201	V	90.9	Very high	91	Very high	23 Å²	23	25.1 Å²	25.1	14%	0.139	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.7	177.4	-177.4	0	0	0	0	110.6	C149 G151 V154 L205 V206	C149-V201 WeakPolarHBondContact CB-O 3.35Å; G151-V201 VanDerWaalsContact CA-O 3.23Å; G151-V201 WeakPolarHBondContact CA-O 3.47Å; G151-V201 PolarHBondContact N-O 3.24Å; V154-V201 HydrophobicContact CG2-CG2 3.88Å; V201-L205 CarbonylContact C-O 3.42Å; V201-L205 VanDerWaalsContact CA-O 3.32Å; V201-L205 WeakPolarHBondContact CA-O 3.45Å; V201-V206 HydrophobicContact CG2-CG2 4.43Å
202	K	89.6	Confident	90.3	Very high	49 Å²	49	25.1 Å²	25.1	21%	0.213	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	123.3	173.9	-176	179	-179.1	168.8	0	109.9	E147 L148 C149 D204 L205	E147-K202 WeakPolarHBondContact OE2-CD 3.21Å; E147-K202 WeakPolarHBondContact OE2-CE 3.19Å; E147-K202 IonicContact OE2-NZ 2.69Å; E147-K202 PolarHBondContact OE2-NZ 3.28Å; L148-K202 WeakPolarHBondContact O-CD 3.49Å; L148-K202 WeakPolarHBondContact O-CE 3.26Å; L148-K202 PolarHBondContact O-NZ 2.88Å; C149-K202 HydrophobicContact CB-CB 4.12Å; K202-D204 VanDerWaalsContact C-N 3.33Å; K202-D204 PolarHBondContact O-N 3.34Å; K202-L205 PolarHBondContact N-O 3.04Å; K202-L205 WeakPolarHBondContact O-CA 3.31Å; K202-L205 WeakPolarHBondContact O-CB 3.3Å; K202-L205 PolarHBondContact O-N 3.33Å
203	N	87.1	Confident	89.6	Confident	124 Å²	124	25.8 Å²	25.8	66%	0.663	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	52.1	179.6	-54.8	-14.4	0	0	0	111.9	L205	N203-L205 PolarHBondContact O-N 3.02Å
204	D	85.7	Confident	89.1	Confident	125 Å²	125	25.7 Å²	25.7	67%	0.668	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	3.2	-175.6	-53.3	-37.5	0	0	0	116.6	H176 K202	H176-D204 PolarHBondContact CE1-O 3.04Å; H176-D204 VanDerWaalsContact CE1-O 3.3Å; K202-D204 VanDerWaalsContact C-N 3.33Å; K202-D204 PolarHBondContact O-N 3.34Å
205	L	91.6	Very high	88.4	Confident	23 Å²	23	28.4 Å²	28.4	12%	0.12	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.8	174	-54.5	176.6	0	0	0	110.7	R127 V201 K202 N203	R127-L205 VanDerWaalsContact NH2-CD1 3.26Å; R127-L205 VanDerWaalsContact NH2-CD2 3.27Å; V201-L205 CarbonylContact C-O 3.42Å; V201-L205 VanDerWaalsContact CA-O 3.32Å; V201-L205 WeakPolarHBondContact CA-O 3.45Å; K202-L205 PolarHBondContact N-O 3.04Å; K202-L205 WeakPolarHBondContact O-CA 3.31Å; K202-L205 WeakPolarHBondContact O-CB 3.3Å; K202-L205 PolarHBondContact O-N 3.33Å; N203-L205 PolarHBondContact O-N 3.02Å
206	V	94.8	Very high	87.6	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.1	171.1	179.1	0	0	0	0	107.8	H128 V154 I173 H176 V177 C199 L200 V201	H128-V206 PolarHBondContact ND1-O 2.96Å; V154-V206 HydrophobicContact CG2-CB 4.47Å; V154-V206 HydrophobicContact CG2-CG1 3.58Å; V154-V206 HydrophobicContact CG2-CG2 4.13Å; I173-V206 HydrophobicContact CB-CG2 4.29Å; I173-V206 HydrophobicContact CG1-CG2 4.11Å; I173-V206 HydrophobicContact CG2-CG2 4.02Å; H176-V206 HydrophobicContact CB-CB 3.73Å; H176-V206 HydrophobicContact CB-CG2 4.34Å; H176-V206 PolarHBondContact ND1-N 3.36Å; H176-V206 VanDerWaalsContact ND1-N 3.18Å; V177-V206 HydrophobicContact CG2-CG1 3.66Å; C199-V206 HydrophobicContact CB-CG1 3.91Å; L200-V206 CarbonylContact O-C 3.53Å; L200-V206 WeakPolarHBondContact O-CA 3.48Å; V201-V206 HydrophobicContact CG2-CG2 4.43Å
207	K	95	Very high	86.5	Confident	21 Å²	21	34.6 Å²	34.6	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.9	-177.1	-57.6	-163.8	171.8	-142.5	0	110.9	R127 H128 V130 E147 C199 L200	R127-K207 WeakPolarHBondContact O-CE 3.42Å; R127-K207 WeakPolarHBondContact O-CG 3.24Å; R127-K207 PolarHBondContact O-NZ 3.4Å; H128-K207 CarbonylContact O-C 3.56Å; H128-K207 WeakPolarHBondContact O-CA 3.16Å; V130-K207 HydrophobicContact CG2-CB 3.95Å; E147-K207 VanDerWaalsContact CD-NZ 3.29Å; E147-K207 VanDerWaalsContact OE1-CD 3.25Å; E147-K207 WeakPolarHBondContact OE1-CD 3.42Å; E147-K207 WeakPolarHBondContact OE1-CE 3.48Å; E147-K207 IonicContact OE1-NZ 3.65Å; E147-K207 PolarHBondContact OE1-NZ 2.94Å; E147-K207 IonicContact OE2-NZ 2.73Å; E147-K207 PolarHBondContact OE2-NZ 3.43Å; E147-K207 VanDerWaalsContact OE2-NZ 3.09Å; C199-K207 CarbonylContact C-O 3.41Å; C199-K207 WeakPolarHBondContact CA-O 3.44Å; L200-K207 PolarHBondContact N-O 3.27Å; L200-K207 PolarHBondContact O-N 3.29Å
208	I	95.4	Very high	85.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134.1	176	-53.5	175.1	0	0	0	108.9	H128 I129 V130 V177 M181 H191 L194	H128-I208 PolarHBondContact O-N 2.84Å; I129-I208 HydrophobicContact CD1-CB 3.87Å; I129-I208 HydrophobicContact CD1-CD1 4.02Å; I129-I208 HydrophobicContact CD1-CG1 4.28Å; V130-I208 WeakPolarHBondContact CG2-O 3.13Å; V130-I208 PolarHBondContact N-O 3.33Å; V177-I208 HydrophobicContact CG1-CD1 4.11Å; V177-I208 HydrophobicContact CG1-CG1 4.31Å; M181-I208 HydrophobicContact CG-CD1 3.65Å; M181-I208 HydrophobicContact SD-CD1 3.59Å; M181-I208 VanDerWaalsContact SD-CD1 3.59Å; H191-I208 VanDerWaalsContact CD2-CG2 3.47Å; H191-I208 WeakPolarHBondContact CD2-CG2 3.45Å; H191-I208 VanDerWaalsContact NE2-CG2 3.35Å; H191-I208 WeakPolarHBondContact NE2-CG2 3.44Å; L194-I208 HydrophobicContact CD1-CG2 4.3Å
209	S	91.2	Very high	83.8	Confident	14 Å²	14	44.5 Å²	44.5	10%	0.098	24%	0.237	C	C	.	.			trans	-129.9	175	-177	73.7	0	0	0	0	111.2	H191 N198	H191-S209 PolarHBondContact NE2-O 3.23Å; N198-S209 WeakPolarHBondContact O-CB 3.12Å; N198-S209 PolarHBondContact O-N 3.28Å; N198-S209 PolarHBondContact O-OG 2.9Å
210	D	85.7	Confident	82.2	Confident	23 Å²	23	46.9 Å²	46.9	12%	0.123	25%	0.246	C	C	.	.			trans	61.4	68.1	176.6	-157.1	8.6	0	0	0	115.2	F78 K99 H191 N198 G212	F78-D210 WeakPolarHBondContact CE2-OD1 3.09Å; K99-D210 IonicContact NZ-OD1 3.09Å; K99-D210 PolarHBondContact NZ-OD1 2.97Å; H191-D210 PolarHBondContact CE1-O 2.9Å; N198-D210 HydrophobicContact CB-CB 4.44Å; D210-G212 PolarHBondContact O-N 3.14Å
211	L	83.9	Confident	80.7	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-83.7	15.6	173	-61.1	-175.6	0	0	0	113	E117 L121 L124 L184 H191 M213 A214	E117-L211 HydrophobicContact CG-CB 4.19Å; E117-L211 PolarHBondContact OE1-N 2.69Å; L121-L211 HydrophobicContact CD2-CB 4.49Å; L121-L211 HydrophobicContact CD2-CD1 3.47Å; L121-L211 VanDerWaalsContact CD2-CD1 3.47Å; L121-L211 HydrophobicContact CD2-CG 3.95Å; L121-L211 HydrophobicContact CG-CB 4.38Å; L121-L211 HydrophobicContact CG-CD1 3.9Å; L121-L211 HydrophobicContact CG-CG 4.36Å; L124-L211 HydrophobicContact CD1-CD1 3.37Å; L184-L211 HydrophobicContact CD1-CD2 4.29Å; H191-L211 WeakPolarHBondContact CD2-CD2 3.28Å; L211-M213 PolarHBondContact O-N 2.9Å; L211-A214 HydrophobicContact CB-CB 3.84Å; L211-A214 HydrophobicContact CD2-CB 3.99Å; L211-A214 HydrophobicContact CG-CB 4.45Å; L211-A214 VanDerWaalsContact O-CB 3.3Å; L211-A214 WeakPolarHBondContact O-CB 3.41Å; L211-A214 PolarHBondContact O-N 3.22Å
212	G	76.4	Confident	79.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.1	-35.5	178.8	0	0	0	0	0	112.6	D210	D210-G212 PolarHBondContact O-N 3.14Å
213	M	74.7	Confident	77.8	Confident	19 Å²	19	56 Å²	56	9%	0.094	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-87.2	-9.9	173.6	-63.5	-168.5	70.4	0	0	113.1	F78 H191 R192 D193 L211 R215 P228	F78-M213 HydrophobicContact CZ-CG 4.2Å; H191-M213 CarbonylContact O-C 3.56Å; R192-M213 HydrophobicContact CB-CB 4.04Å; R192-M213 PolarHBondContact NE-O 3.5Å; R192-M213 PolarHBondContact NH2-O 3.32Å; D193-M213 HydrophobicContact CB-CB 4.25Å; D193-M213 HydrophobicContact CB-CG 4.34Å; D193-M213 HydrophobicContact CB-SD 3.86Å; L211-M213 PolarHBondContact O-N 2.9Å; M213-R215 PolarHBondContact O-NH1 2.76Å; M213-P228 WeakPolarHBondContact CE-O 3.26Å
214	A	77.7	Confident	76.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.			trans	-63.8	152.7	-171.3	0	0	0	0	0	113.6	K120 I189 I190 H191 L211	K120-A214 HydrophobicContact CD-CB 3.83Å; K120-A214 WeakPolarHBondContact CE-O 3.47Å; K120-A214 PolarHBondContact NZ-O 2.84Å; I189-A214 HydrophobicContact CG2-CB 3.9Å; I190-A214 CarbonylContact O-C 3.6Å; I190-A214 WeakPolarHBondContact O-CA 3.05Å; I190-A214 WeakPolarHBondContact O-CB 3.44Å; H191-A214 VanDerWaalsContact O-CA 3.29Å; H191-A214 WeakPolarHBondContact O-CA 3.45Å; H191-A214 PolarHBondContact O-N 2.98Å; L211-A214 HydrophobicContact CB-CB 3.84Å; L211-A214 HydrophobicContact CD2-CB 3.99Å; L211-A214 HydrophobicContact CG-CB 4.45Å; L211-A214 VanDerWaalsContact O-CB 3.3Å; L211-A214 WeakPolarHBondContact O-CB 3.41Å; L211-A214 PolarHBondContact O-N 3.22Å
215	R	79.3	Confident	74.9	Confident	57 Å²	57	56.2 Å²	56.2	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.2	177.7	-68.5	-64.9	179.6	-86.5	9.3	110.8	I190 R192 M213	I190-R215 PolarHBondContact N-O 2.67Å; I190-R215 PolarHBondContact O-N 3.39Å; R192-R215 VanDerWaalsContact NE-CG 3.34Å; M213-R215 PolarHBondContact O-NH1 2.76Å
216	T	77.6	Confident	73.1	Confident	105 Å²	105	64.5 Å²	64.5	64%	0.644	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	132.2	171.3	-48.4	0	0	0	0	109	N188	N188-T216 CarbonylContact O-C 3.57Å; N188-T216 VanDerWaalsContact O-CA 3.26Å; N188-T216 WeakPolarHBondContact O-CA 3.47Å
217	G	68.7	Low	71.4	Confident	27 Å²	27	67.9 Å²	67.9	28%	0.278	32%	0.323	S	S	.	.	S	Bend	trans	149	166.8	-178.2	0	0	0	0	0	112	N188 I190	N188-G217 PolarHBondContact O-N 3.28Å; I190-G217 WeakPolarHBondContact CG1-O 3.41Å
218	K	64.2	Low	69.9	Low	180 Å²	180	72 Å²	72	78%	0.783	35%	0.352	S	S	*	.	S	Bend	trans	-88.8	-32.4	176.5	-66.6	-176.1	177.6	-178.4	0	112.8
219	T	63.6	Low	68.5	Low	106 Å²	106	73.8 Å²	73.8	65%	0.65	36%	0.361	S	S	*	.			trans	-136.7	146.9	178.8	54.1	0	0	0	0	109.3
220	W	60.6	Low	67.7	Low	52 Å²	52	73.7 Å²	73.7	20%	0.197	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.7	171.7	-175	69.4	0	0	0	110.2	I190 R192 L222 Y240	I190-W220 HydrophobicContact CD1-CB 3.79Å; R192-W220 VanDerWaalsContact CD-CE3 3.45Å; R192-W220 VanDerWaalsContact NH1-CH2 3.26Å; W220-L222 HydrophobicContact CE3-CD1 4.18Å; W220-L222 HydrophobicContact CH2-CD1 3.65Å; W220-L222 HydrophobicContact CH2-CG 4.1Å; W220-L222 HydrophobicContact CZ3-CD1 3.25Å; W220-L222 HydrophobicContact CZ3-CG 4.16Å; W220-Y240 HydrophobicContact CE3-CG 4.21Å; W220-Y240 PolarHBondContact O-N 3.11Å
221	E	61.9	Low	67.2	Low	91 Å²	91	75.4 Å²	75.4	43%	0.425	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.8	170.5	-69.7	178.3	172.8	0	0	110.1	K223 Q239	E221-K223 HydrophobicContact CB-CG 3.94Å; E221-K223 PolarHBondContact O-N 2.87Å; E221-K223 WeakPolarHBondContact OE2-CE 3.28Å; E221-K223 IonicContact OE2-NZ 3.6Å; E221-Q239 HydrophobicContact CG-CG 4.44Å
222	L	63.2	Low	66.8	Low	29 Å²	29	77.6 Å²	77.6	15%	0.152	38%	0.381	C	S	.	.			trans	-72.9	54.9	178.5	-144.4	90.1	0	0	0	110.9	W220 N224 R225 I229 T238	W220-L222 HydrophobicContact CE3-CD1 4.18Å; W220-L222 HydrophobicContact CH2-CD1 3.65Å; W220-L222 HydrophobicContact CH2-CG 4.1Å; W220-L222 HydrophobicContact CZ3-CD1 3.25Å; W220-L222 HydrophobicContact CZ3-CG 4.16Å; L222-N224 PolarHBondContact O-N 3.49Å; L222-R225 HydrophobicContact CD2-CG 4.22Å; L222-I229 HydrophobicContact CD1-CD1 3.92Å; L222-I229 HydrophobicContact CD1-CG1 4.48Å; L222-I229 HydrophobicContact CD2-CD1 3.86Å; L222-I229 HydrophobicContact CG-CD1 3.92Å; L222-T238 VanDerWaalsContact CB-O 3.25Å; L222-T238 WeakPolarHBondContact CB-O 3.45Å; L222-T238 PolarHBondContact N-O 3.04Å
223	K	55.4	Low	67	Low	175 Å²	175	79 Å²	79	76%	0.761	39%	0.386	S	S	*	.			trans	-65.6	-22.9	-173.3	-67.4	-169.8	178.3	-174.8	0	113.6	E221	E221-K223 HydrophobicContact CB-CG 3.94Å; E221-K223 PolarHBondContact O-N 2.87Å; E221-K223 WeakPolarHBondContact OE2-CE 3.28Å; E221-K223 IonicContact OE2-NZ 3.6Å
224	N	54.5	Low	67	Low	85 Å²	85	78.6 Å²	78.6	46%	0.455	39%	0.385	S	S	.	.			trans	-132.5	88.7	-175	-153	-16.1	0	0	0	111.6	L222 K226 K227	L222-N224 PolarHBondContact O-N 3.49Å; N224-K226 PolarHBondContact O-N 3.42Å; N224-K226 VanDerWaalsContact O-N 3.15Å; N224-K227 PolarHBondContact O-N 3.18Å
225	R	57.1	Low	66.9	Low	168 Å²	168	79 Å²	79	63%	0.634	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.7	-177.8	-65.7	-173.9	179.7	-168.2	0.4	114.7	L222 K227	L222-R225 HydrophobicContact CD2-CG 4.22Å; R225-K227 PolarHBondContact O-N 3.41Å
226	K	54.7	Low	66.3	Low	196 Å²	196	78.2 Å²	78.2	85%	0.852	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.9	176.3	-67.5	-170.7	178.6	-175.8	0	113.2	N224	N224-K226 PolarHBondContact O-N 3.42Å; N224-K226 VanDerWaalsContact O-N 3.15Å
227	K	59.6	Low	65.9	Low	76 Å²	76	75.5 Å²	75.5	33%	0.33	37%	0.37	S	S	.	.	S	Bend	trans	-78.1	141.5	177.8	-63.2	-170.7	178.5	-170.5	0	110.3	N224 R225 I229	N224-K227 PolarHBondContact O-N 3.18Å; R225-K227 PolarHBondContact O-N 3.41Å; K227-I229 WeakPolarHBondContact O-CG1 3.4Å; K227-I229 PolarHBondContact O-N 2.71Å
228	P	62.1	Low	65.5	Low	107 Å²	107	78.2 Å²	78.2	70%	0.695	38%	0.382	S	S	*	.			trans	-57.2	128	169.1	23.3	-30.5	0	0	0	108.4	M213	M213-P228 WeakPolarHBondContact CE-O 3.26Å
229	I	66.8	Low	65.3	Low	38 Å²	38	73.1 Å²	73.1	20%	0.195	36%	0.36	C	S	.	.			trans	-124.9	136.7	-178.3	-70.6	155.3	0	0	0	106.3	L222 K227 V231 T234	L222-I229 HydrophobicContact CD1-CD1 3.92Å; L222-I229 HydrophobicContact CD1-CG1 4.48Å; L222-I229 HydrophobicContact CD2-CD1 3.86Å; L222-I229 HydrophobicContact CG-CD1 3.92Å; K227-I229 WeakPolarHBondContact O-CG1 3.4Å; K227-I229 PolarHBondContact O-N 2.71Å; I229-V231 WeakPolarHBondContact O-CG2 3.33Å; I229-V231 PolarHBondContact O-N 3.1Å; I229-T234 HydrophobicContact CG2-CG2 4Å; I229-T234 WeakPolarHBondContact CG2-OG1 3.37Å
230	P	74	Confident	65.4	Low	13 Å²	13	68.7 Å²	68.7	8%	0.084	33%	0.332	C	S	.	.			trans	-70.4	79.4	175.5	31.5	-38.1	0	0	0	109.7	D193 K232 W233 T234	D193-P230 WeakPolarHBondContact OD1-CB 3.38Å; D193-P230 VanDerWaalsContact OD1-CG 3.23Å; D193-P230 WeakPolarHBondContact OD1-CG 3.49Å; P230-K232 PolarHBondContact O-N 2.9Å; P230-W233 HydrophobicContact CB-CB 4.35Å; P230-W233 HydrophobicContact CB-CE3 4.07Å; P230-W233 CarbonylContact O-C 3.54Å; P230-W233 PolarHBondContact O-N 3.43Å; P230-T234 PolarHBondContact O-N 2.94Å; P230-T234 PolarHBondContact O-OG1 3.4Å
231	V	75.3	Confident	66.4	Low	58 Å²	58	67.1 Å²	67.1	35%	0.352	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.3	-167.5	173.4	0	0	0	0	111.8	I229 W233 T234 K271 K274	I229-V231 WeakPolarHBondContact O-CG2 3.33Å; I229-V231 PolarHBondContact O-N 3.1Å; V231-W233 PolarHBondContact O-N 3.31Å; V231-T234 PolarHBondContact O-N 3.45Å; V231-K271 HydrophobicContact CG1-CG 4.31Å; V231-K274 PolarHBondContact O-NZ 2.78Å
232	K	76.8	Confident	67.9	Low	48 Å²	48	63.4 Å²	63.4	21%	0.209	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.9	-178.6	-53.5	176.2	-173.6	-169.5	0	112.8	P230 P260 Y261 Q265 K274	P230-K232 PolarHBondContact O-N 2.9Å; K232-P260 HydrophobicContact CB-CB 4.3Å; K232-Y261 HydrophobicContact CB-CD2 4.22Å; K232-Y261 HydrophobicContact CB-CE2 4.49Å; K232-Y261 WeakPolarHBondContact O-CE2 3.35Å; K232-Q265 VanDerWaalsContact CE-CD 3.42Å; K232-Q265 VanDerWaalsContact NZ-CD 3.25Å; K232-K274 VanDerWaalsContact C-NZ 3.26Å; K232-K274 PolarHBondContact O-NZ 3.05Å
233	W	79.1	Confident	69.4	Low	29 Å²	29	62.9 Å²	62.9	11%	0.11	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.8	178.5	-65.1	-99.8	0	0	0	113.7	A195 P230 V231 W244 A245 I248 E252 P260	A195-W233 HydrophobicContact CB-CD2 4.13Å; A195-W233 HydrophobicContact CB-CG 4.17Å; A195-W233 HydrophobicContact CB-CZ2 4.33Å; P230-W233 HydrophobicContact CB-CB 4.35Å; P230-W233 HydrophobicContact CB-CE3 4.07Å; P230-W233 CarbonylContact O-C 3.54Å; P230-W233 PolarHBondContact O-N 3.43Å; V231-W233 PolarHBondContact O-N 3.31Å; W233-W244 VanDerWaalsContact O-CD1 3.27Å; W233-A245 HydrophobicContact CB-CB 4.41Å; W233-I248 HydrophobicContact CD2-CG2 4.48Å; W233-I248 HydrophobicContact CG-CB 4.42Å; W233-I248 HydrophobicContact CG-CG2 3.98Å; W233-E252 VanDerWaalsContact CZ2-OE1 3.27Å; W233-E252 WeakPolarHBondContact CZ2-OE1 3.29Å; W233-E252 VanDerWaalsContact NE1-CD 3.28Å; W233-E252 PolarHBondContact NE1-OE2 3.46Å; W233-P260 HydrophobicContact CH2-CG 4.43Å; W233-P260 HydrophobicContact CZ2-CG 3.77Å
234	T	76.1	Confident	71.2	Confident	11 Å²	11	54.5 Å²	54.5	7%	0.067	27%	0.273	C	S	.	.	S	Bend	trans	-84.9	137.9	178.6	-51.4	0	0	0	0	110.1	I229 P230 V231 Y240 K274	I229-T234 HydrophobicContact CG2-CG2 4Å; I229-T234 WeakPolarHBondContact CG2-OG1 3.37Å; P230-T234 PolarHBondContact O-N 2.94Å; P230-T234 PolarHBondContact O-OG1 3.4Å; V231-T234 PolarHBondContact O-N 3.45Å; T234-Y240 HydrophobicContact CG2-CD2 4.02Å; T234-Y240 HydrophobicContact CG2-CE2 4.31Å; T234-K274 PolarHBondContact O-NZ 3.36Å
235	C	73.8	Confident	73.1	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.047	25%	0.252	C	S	.	.			trans	-63.5	155.8	172.8	41.1	0	0	0	0	112.3	E237 Q239 S241 W244	C235-E237 WeakPolarHBondContact CB-OE1 3.4Å; C235-E237 WeakPolarHBondContact CB-OE2 3.29Å; C235-E237 PolarHBondContact SG-OE1 3.25Å; C235-Q239 PolarHBondContact SG-O 3.13Å; C235-S241 PolarHBondContact SG-N 2.81Å; C235-S241 VanDerWaalsContact SG-N 3.45Å; C235-W244 HydrophobicContact CB-CB 3.79Å; C235-W244 HydrophobicContact CB-CD2 3.55Å; C235-W244 HydrophobicContact CB-CE3 3.84Å; C235-W244 HydrophobicContact CB-CG 3.51Å
236	P	67.4	Low	75	Confident	42 Å²	42	42.5 Å²	42.5	27%	0.273	22%	0.221	S	C	.	.	S	Bend	trans	-72.4	-26.4	-173.8	27.4	-34.1	0	0	0	113.7	W244 L278	P236-W244 VanDerWaalsContact CD-CH2 3.46Å; P236-W244 HydrophobicContact CG-CH2 4Å; P236-W244 HydrophobicContact CG-CZ3 4.25Å; P236-L278 HydrophobicContact CB-CB 4.1Å; P236-L278 HydrophobicContact CB-CD1 4.04Å; P236-L278 HydrophobicContact CG-CB 4.22Å; P236-L278 HydrophobicContact CG-CD1 4.2Å
237	E	69.8	Low	77	Confident	47 Å²	47	33.1 Å²	33.1	22%	0.22	18%	0.181	C	C	.	.	S	Bend	trans	-74.2	164.2	176.5	69.9	-78.1	179.4	0	0	113.1	C235 Q239 V306 R309	C235-E237 WeakPolarHBondContact CB-OE1 3.4Å; C235-E237 WeakPolarHBondContact CB-OE2 3.29Å; C235-E237 PolarHBondContact SG-OE1 3.25Å; E237-Q239 HydrophobicContact CG-CB 4.12Å; E237-Q239 PolarHBondContact O-N 3.47Å; E237-Q239 VanDerWaalsContact O-N 3.09Å; E237-V306 HydrophobicContact CG-CG2 3.99Å; E237-V306 WeakPolarHBondContact OE1-CG2 3.48Å; E237-R309 VanDerWaalsContact CD-NH2 3.28Å; E237-R309 IonicContact OE1-CZ 3.18Å; E237-R309 IonicContact OE1-NH1 2.71Å; E237-R309 PolarHBondContact OE1-NH1 2.87Å; E237-R309 IonicContact OE1-NH2 2.88Å; E237-R309 PolarHBondContact OE1-NH2 2.93Å; E237-R309 IonicContact OE2-NH2 2.78Å; E237-R309 PolarHBondContact OE2-NH2 3.06Å; E237-R309 VanDerWaalsContact OE2-NH2 3.15Å
238	T	60.8	Low	78.7	Confident	85 Å²	85	29.5 Å²	29.5	52%	0.521	17%	0.165	S	C	.	.	S	Bend	trans	-72.4	4.8	179.9	51.1	0	0	0	0	114.2	L222	L222-T238 VanDerWaalsContact CB-O 3.25Å; L222-T238 WeakPolarHBondContact CB-O 3.45Å; L222-T238 PolarHBondContact N-O 3.04Å
239	Q	59.7	Low	80.4	Confident	73 Å²	73	24.5 Å²	24.5	34%	0.341	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.5	177.1	-67.4	-177.7	-7.1	0	0	109	E221 C235 E237	E221-Q239 HydrophobicContact CG-CG 4.44Å; C235-Q239 PolarHBondContact SG-O 3.13Å; E237-Q239 HydrophobicContact CG-CB 4.12Å; E237-Q239 PolarHBondContact O-N 3.47Å; E237-Q239 VanDerWaalsContact O-N 3.09Å
240	Y	66.1	Low	81.9	Confident	13 Å²	13	22.7 Å²	22.7	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.3	173.8	-170.5	-75.6	0	0	0	110.3	I190 R192 W220 T234 D242	I190-Y240 HydrophobicContact CG2-CD1 3.91Å; I190-Y240 HydrophobicContact CG2-CE1 4.42Å; R192-Y240 VanDerWaalsContact C-CZ 3.41Å; R192-Y240 VanDerWaalsContact CA-CE1 3.41Å; R192-Y240 VanDerWaalsContact CA-OH 3.32Å; R192-Y240 WeakPolarHBondContact CA-OH 3.36Å; R192-Y240 HydrophobicContact CB-CD1 4.4Å; R192-Y240 HydrophobicContact CB-CE1 4.23Å; R192-Y240 HydrophobicContact CB-CE2 4.33Å; R192-Y240 HydrophobicContact CG-CD1 3.94Å; R192-Y240 HydrophobicContact CG-CE1 4.2Å; R192-Y240 HydrophobicContact CG-CG 4.23Å; R192-Y240 VanDerWaalsContact O-CE2 3.23Å; R192-Y240 WeakPolarHBondContact O-CE2 3.06Å; R192-Y240 PolarHBondContact O-OH 3.35Å; W220-Y240 HydrophobicContact CE3-CG 4.21Å; W220-Y240 PolarHBondContact O-N 3.11Å; T234-Y240 HydrophobicContact CG2-CD2 4.02Å; T234-Y240 HydrophobicContact CG2-CE2 4.31Å; Y240-D242 WeakPolarHBondContact CE1-OD1 2.99Å
241	S	81.3	Confident	83	Confident	18 Å²	18	23 Å²	23	13%	0.126	12%	0.123	C	C	.	.			trans	-130.6	113.8	178.1	-178.7	0	0	0	0	110.3	C235 V243 W244 A245 R309	C235-S241 PolarHBondContact SG-N 2.81Å; C235-S241 VanDerWaalsContact SG-N 3.45Å; S241-V243 PolarHBondContact O-N 2.95Å; S241-W244 WeakPolarHBondContact O-CB 3.14Å; S241-W244 PolarHBondContact O-N 3.21Å; S241-W244 VanDerWaalsContact O-N 3.1Å; S241-A245 PolarHBondContact O-N 3.08Å; S241-R309 PolarHBondContact OG-NH1 3.36Å
242	D	92	Very high	84	Confident	14 Å²	14	20.4 Å²	20.4	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-25.4	173.5	-73.1	-36	0	0	0	111.8	M181 I190 H191 R192 Y240 A245 F246 F312	M181-D242 HydrophobicContact CE-CB 3.53Å; I190-D242 VanDerWaalsContact CA-OD2 3.22Å; I190-D242 WeakPolarHBondContact CA-OD2 3.34Å; I190-D242 WeakPolarHBondContact CG2-OD2 3.39Å; H191-D242 WeakPolarHBondContact CB-OD1 3.49Å; H191-D242 PolarHBondContact N-OD1 3Å; H191-D242 PolarHBondContact N-OD2 2.85Å; R192-D242 PolarHBondContact N-OD1 3.47Å; Y240-D242 WeakPolarHBondContact CE1-OD1 2.99Å; D242-A245 PolarHBondContact O-N 3.37Å; D242-F246 WeakPolarHBondContact O-CB 3.2Å; D242-F246 PolarHBondContact O-N 3.03Å; D242-F312 HydrophobicContact CB-CE2 3.91Å; D242-F312 HydrophobicContact CB-CZ 3.89Å
243	V	95	Very high	84.9	Confident	17 Å²	17	18.1 Å²	18.1	10%	0.103	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-39.7	175.5	178.3	0	0	0	0	111.1	S241 F246 G247 C301 R309 F312 I315	S241-V243 PolarHBondContact O-N 2.95Å; V243-F246 WeakPolarHBondContact O-CB 3.23Å; V243-F246 PolarHBondContact O-N 2.68Å; V243-G247 PolarHBondContact O-N 2.74Å; V243-C301 HydrophobicContact CG1-CB 4.02Å; V243-C301 WeakPolarHBondContact O-CB 3.27Å; V243-R309 HydrophobicContact CB-CB 4.47Å; V243-R309 HydrophobicContact CG1-CB 3.83Å; V243-F312 HydrophobicContact CG2-CD2 4.31Å; V243-F312 HydrophobicContact CG2-CE1 4.49Å; V243-F312 HydrophobicContact CG2-CE2 3.89Å; V243-F312 HydrophobicContact CG2-CZ 3.98Å; V243-I315 HydrophobicContact CG1-CD1 3.94Å
244	W	93.6	Very high	85.7	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-48.2	172.6	-179.9	-73.2	0	0	0	110.8	W233 C235 P236 S241 F246 G247 I248 L278 M302	W233-W244 VanDerWaalsContact O-CD1 3.27Å; C235-W244 HydrophobicContact CB-CB 3.79Å; C235-W244 HydrophobicContact CB-CD2 3.55Å; C235-W244 HydrophobicContact CB-CE3 3.84Å; C235-W244 HydrophobicContact CB-CG 3.51Å; P236-W244 VanDerWaalsContact CD-CH2 3.46Å; P236-W244 HydrophobicContact CG-CH2 4Å; P236-W244 HydrophobicContact CG-CZ3 4.25Å; S241-W244 WeakPolarHBondContact O-CB 3.14Å; S241-W244 PolarHBondContact O-N 3.21Å; S241-W244 VanDerWaalsContact O-N 3.1Å; W244-F246 PolarHBondContact O-N 3.16Å; W244-G247 WeakPolarHBondContact O-CA 3.3Å; W244-G247 PolarHBondContact O-N 2.85Å; W244-I248 PolarHBondContact O-N 3.35Å; W244-I248 VanDerWaalsContact O-N 3.08Å; W244-L278 HydrophobicContact CH2-CD1 4.15Å; W244-L278 HydrophobicContact CH2-CD2 3.98Å; W244-L278 HydrophobicContact CZ2-CD1 3.69Å; W244-L278 HydrophobicContact CZ2-CD2 3.84Å; W244-L278 HydrophobicContact CZ2-CG 4.39Å; W244-M302 HydrophobicContact CD2-CB 4.47Å; W244-M302 HydrophobicContact CD2-CG 4.45Å; W244-M302 HydrophobicContact CE3-CB 4.22Å; W244-M302 HydrophobicContact CH2-CB 4.39Å; W244-M302 HydrophobicContact CZ3-CB 4.2Å; W244-M302 WeakPolarHBondContact CZ3-O 3.12Å
245	A	94.3	Very high	86.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-36.2	178.2	0	0	0	0	0	111.6	L194 W233 S241 D242 I248 L249	L194-A245 HydrophobicContact CB-CB 3.99Å; W233-A245 HydrophobicContact CB-CB 4.41Å; S241-A245 PolarHBondContact O-N 3.08Å; D242-A245 PolarHBondContact O-N 3.37Å; A245-I248 PolarHBondContact O-N 3.03Å; A245-L249 WeakPolarHBondContact O-CB 3.28Å; A245-L249 PolarHBondContact O-N 2.64Å
246	F	97	Very high	87.5	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-42.1	172.4	-173	-93.1	0	0	0	111.9	V177 A178 L194 D242 V243 W244 I248 L249 L250 F312 I315 L319	V177-F246 HydrophobicContact CB-CE2 4.04Å; V177-F246 HydrophobicContact CG1-CD2 4.01Å; V177-F246 HydrophobicContact CG1-CE2 3.76Å; A178-F246 HydrophobicContact CB-CE2 4.08Å; A178-F246 HydrophobicContact CB-CZ 3.85Å; L194-F246 HydrophobicContact CD2-CB 3.9Å; L194-F246 HydrophobicContact CD2-CD2 4.1Å; D242-F246 WeakPolarHBondContact O-CB 3.2Å; D242-F246 PolarHBondContact O-N 3.03Å; V243-F246 WeakPolarHBondContact O-CB 3.23Å; V243-F246 PolarHBondContact O-N 2.68Å; W244-F246 PolarHBondContact O-N 3.16Å; F246-I248 VanDerWaalsContact C-N 3.32Å; F246-I248 PolarHBondContact O-N 3.18Å; F246-L249 CarbonylContact O-C 3.45Å; F246-L249 WeakPolarHBondContact O-CB 3.28Å; F246-L249 PolarHBondContact O-N 3.02Å; F246-L249 VanDerWaalsContact O-N 3.13Å; F246-L250 HydrophobicContact CD1-CD1 3.97Å; F246-L250 HydrophobicContact CD1-CD2 4.4Å; F246-L250 HydrophobicContact CD1-CG 3.93Å; F246-L250 HydrophobicContact CE1-CD1 3.64Å; F246-L250 HydrophobicContact CE1-CD2 3.65Å; F246-L250 HydrophobicContact CE1-CG 3.63Å; F246-L250 HydrophobicContact CZ-CD2 3.83Å; F246-L250 HydrophobicContact CZ-CG 4.26Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.72Å; F246-F312 HydrophobicContact CB-CE1 3.86Å; F246-F312 HydrophobicContact CB-CZ 4.24Å; F246-F312 AromaticContact CD2-CE1 3.89Å; F246-F312 HydrophobicContact CD2-CE1 3.89Å; F246-F312 AromaticContact CG-CE1 3.84Å; F246-F312 HydrophobicContact CG-CE1 3.84Å; F246-I315 HydrophobicContact CD1-CD1 4.23Å; F246-I315 HydrophobicContact CD1-CG2 4.04Å; F246-I315 HydrophobicContact CE1-CG2 3.34Å; F246-I315 HydrophobicContact CZ-CG2 3.82Å; F246-L319 HydrophobicContact CE1-CD1 4.33Å; F246-L319 HydrophobicContact CZ-CD1 3.92Å
247	G	97	Very high	88.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.6	-39.3	173.4	0	0	0	0	0	113.3	V243 W244 L250 W251 M298	V243-G247 PolarHBondContact O-N 2.74Å; W244-G247 WeakPolarHBondContact O-CA 3.3Å; W244-G247 PolarHBondContact O-N 2.85Å; G247-L250 PolarHBondContact O-N 2.88Å; G247-W251 PolarHBondContact O-N 3.15Å; G247-M298 WeakPolarHBondContact O-CG 3.34Å
248	I	95.4	Very high	89.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.1	-39.3	173.4	-55.3	-67.4	0	0	0	111	W233 W244 A245 F246 W251 E252 P260 Y261 L284 M302	W233-I248 HydrophobicContact CD2-CG2 4.48Å; W233-I248 HydrophobicContact CG-CB 4.42Å; W233-I248 HydrophobicContact CG-CG2 3.98Å; W244-I248 PolarHBondContact O-N 3.35Å; W244-I248 VanDerWaalsContact O-N 3.08Å; A245-I248 PolarHBondContact O-N 3.03Å; F246-I248 VanDerWaalsContact C-N 3.32Å; F246-I248 PolarHBondContact O-N 3.18Å; I248-W251 WeakPolarHBondContact O-CB 3.21Å; I248-W251 PolarHBondContact O-N 3.1Å; I248-E252 WeakPolarHBondContact O-CG 3.48Å; I248-E252 PolarHBondContact O-N 3.11Å; I248-P260 HydrophobicContact CG2-CB 3.98Å; I248-P260 HydrophobicContact CG2-CG 3.65Å; I248-Y261 HydrophobicContact CD1-CE2 4.29Å; I248-Y261 WeakPolarHBondContact CD1-OH 3.38Å; I248-L284 HydrophobicContact CD1-CD1 3.57Å; I248-L284 HydrophobicContact CG2-CD1 4.41Å; I248-M302 HydrophobicContact CD1-SD 3.5Å; I248-M302 WeakPolarHBondContact CD1-SD 3.36Å; I248-M302 HydrophobicContact CG1-SD 4.25Å
249	L	97.2	Very high	91	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-40.2	175.7	176.8	156.5	0	0	0	112.1	V177 L194 A245 F246 W251 E252 I253	V177-L249 HydrophobicContact CG1-CD1 3.97Å; V177-L249 HydrophobicContact CG1-CD2 4.23Å; V177-L249 HydrophobicContact CG2-CD2 4.46Å; L194-L249 HydrophobicContact CD1-CD1 3.86Å; L194-L249 HydrophobicContact CD2-CD1 4.47Å; L194-L249 HydrophobicContact CG-CD1 3.88Å; A245-L249 WeakPolarHBondContact O-CB 3.28Å; A245-L249 PolarHBondContact O-N 2.64Å; F246-L249 CarbonylContact O-C 3.45Å; F246-L249 WeakPolarHBondContact O-CB 3.28Å; F246-L249 PolarHBondContact O-N 3.02Å; F246-L249 VanDerWaalsContact O-N 3.13Å; L249-W251 VanDerWaalsContact C-N 3.3Å; L249-W251 PolarHBondContact O-N 3.48Å; L249-E252 WeakPolarHBondContact O-CB 3.29Å; L249-E252 PolarHBondContact O-N 3.1Å; L249-I253 HydrophobicContact CD2-CD1 3.47Å; L249-I253 VanDerWaalsContact CD2-CD1 3.47Å; L249-I253 HydrophobicContact CD2-CG1 4.35Å; L249-I253 HydrophobicContact CG-CD1 4.43Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 2.85Å
250	L	98	Very high	92.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.9	-45.9	172.2	-70.1	-177	0	0	0	110.4	C174 F246 G247 E252 I253 F254 L297 M298	C174-L250 HydrophobicContact CB-CD2 3.6Å; C174-L250 WeakPolarHBondContact SG-CD2 3.42Å; F246-L250 HydrophobicContact CD1-CD1 3.97Å; F246-L250 HydrophobicContact CD1-CD2 4.4Å; F246-L250 HydrophobicContact CD1-CG 3.93Å; F246-L250 HydrophobicContact CE1-CD1 3.64Å; F246-L250 HydrophobicContact CE1-CD2 3.65Å; F246-L250 HydrophobicContact CE1-CG 3.63Å; F246-L250 HydrophobicContact CZ-CD2 3.83Å; F246-L250 HydrophobicContact CZ-CG 4.26Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.72Å; G247-L250 PolarHBondContact O-N 2.88Å; L250-E252 VanDerWaalsContact C-N 3.35Å; L250-E252 PolarHBondContact O-N 2.66Å; L250-I253 PolarHBondContact O-N 3.45Å; L250-I253 VanDerWaalsContact O-N 3.16Å; L250-F254 HydrophobicContact CB-CE1 4.47Å; L250-F254 HydrophobicContact CB-CE2 3.93Å; L250-F254 HydrophobicContact CB-CZ 3.85Å; L250-F254 HydrophobicContact CD1-CZ 4.5Å; L250-F254 HydrophobicContact CD2-CE1 4.48Å; L250-F254 HydrophobicContact CD2-CZ 4.13Å; L250-F254 HydrophobicContact CG-CZ 4.38Å; L250-F254 VanDerWaalsContact O-CD1 3.23Å; L250-F254 WeakPolarHBondContact O-CD1 3.38Å; L250-F254 WeakPolarHBondContact O-CD2 3.46Å; L250-F254 WeakPolarHBondContact O-CG 3.22Å; L250-F254 PolarHBondContact O-N 2.76Å; L250-L297 HydrophobicContact CD1-CG 4.35Å; L250-M298 HydrophobicContact CB-CB 4.16Å; L250-M298 HydrophobicContact CB-CG 3.93Å; L250-M298 HydrophobicContact CD1-CB 3.98Å; L250-M298 HydrophobicContact CD1-CG 4.49Å
251	W	97	Very high	93.4	Very high	20 Å²	20	11.3 Å²	11.3	8%	0.076	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-41.3	176.1	-177	87.1	0	0	0	112.7	G247 I248 L249 I253 F254 S255 K258 A259 P260 L284 E285 M298	G247-W251 PolarHBondContact O-N 3.15Å; I248-W251 WeakPolarHBondContact O-CB 3.21Å; I248-W251 PolarHBondContact O-N 3.1Å; L249-W251 VanDerWaalsContact C-N 3.3Å; L249-W251 PolarHBondContact O-N 3.48Å; W251-I253 VanDerWaalsContact C-N 3.32Å; W251-I253 PolarHBondContact O-N 2.94Å; W251-F254 PolarHBondContact O-N 2.96Å; W251-S255 WeakPolarHBondContact O-CB 3.39Å; W251-S255 PolarHBondContact O-N 2.87Å; W251-S255 PolarHBondContact O-OG 2.63Å; W251-K258 HydrophobicContact CH2-CB 3.78Å; W251-K258 HydrophobicContact CZ3-CB 4.14Å; W251-K258 VanDerWaalsContact CZ3-O 3.24Å; W251-K258 WeakPolarHBondContact CZ3-O 3.41Å; W251-A259 WeakPolarHBondContact CH2-O 3.32Å; W251-P260 HydrophobicContact CE3-CB 4.32Å; W251-P260 HydrophobicContact CE3-CG 4.06Å; W251-P260 VanDerWaalsContact CZ3-CA 3.42Å; W251-P260 HydrophobicContact CZ3-CB 4.06Å; W251-P260 HydrophobicContact CZ3-CG 3.89Å; W251-L284 HydrophobicContact CB-CD1 4.32Å; W251-L284 HydrophobicContact CD2-CB 4.25Å; W251-L284 HydrophobicContact CD2-CD1 3.77Å; W251-L284 HydrophobicContact CD2-CG 4.41Å; W251-L284 HydrophobicContact CE3-CD1 4Å; W251-L284 HydrophobicContact CG-CB 3.95Å; W251-L284 HydrophobicContact CG-CD1 3.91Å; W251-L284 HydrophobicContact CG-CG 4.49Å; W251-L284 HydrophobicContact CZ2-CD2 4.25Å; W251-E285 PolarHBondContact NE1-O 3.14Å; W251-M298 HydrophobicContact CB-SD 3.61Å; W251-M298 HydrophobicContact CG-SD 4.2Å
252	E	96.1	Very high	93.4	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.014	8%	0.076	C	C	.	.	H	α-helix	trans	-58.1	-44.1	173.9	-69.5	178.8	104	0	0	110.9	A196 W233 I248 L249 L250 D256 G257 P260	A196-E252 HydrophobicContact CB-CB 4.05Å; A196-E252 PolarHBondContact N-OE2 2.95Å; W233-E252 VanDerWaalsContact CZ2-OE1 3.27Å; W233-E252 WeakPolarHBondContact CZ2-OE1 3.29Å; W233-E252 VanDerWaalsContact NE1-CD 3.28Å; W233-E252 PolarHBondContact NE1-OE2 3.46Å; I248-E252 WeakPolarHBondContact O-CG 3.48Å; I248-E252 PolarHBondContact O-N 3.11Å; L249-E252 WeakPolarHBondContact O-CB 3.29Å; L249-E252 PolarHBondContact O-N 3.1Å; L250-E252 VanDerWaalsContact C-N 3.35Å; L250-E252 PolarHBondContact O-N 2.66Å; E252-D256 PolarHBondContact O-N 3.37Å; E252-G257 WeakPolarHBondContact O-CA 3.45Å; E252-G257 PolarHBondContact O-N 3.13Å; E252-P260 HydrophobicContact CG-CG 3.94Å
253	I	96.8	Very high	92.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-65.6	-46	178.2	-66.7	166.5	0	0	0	111.3	L158 K170 I173 C174 L249 L250 W251 S255 D256	L158-I253 HydrophobicContact CD1-CB 4.43Å; L158-I253 HydrophobicContact CD1-CG1 4.05Å; L158-I253 HydrophobicContact CD2-CG2 4.28Å; K170-I253 HydrophobicContact CB-CG2 3.83Å; K170-I253 HydrophobicContact CG-CG2 4Å; I173-I253 HydrophobicContact CB-CD1 4.42Å; I173-I253 HydrophobicContact CG2-CD1 3.58Å; I173-I253 HydrophobicContact CG2-CG1 4.16Å; C174-I253 VanDerWaalsContact SG-CD1 3.54Å; L249-I253 HydrophobicContact CD2-CD1 3.47Å; L249-I253 VanDerWaalsContact CD2-CD1 3.47Å; L249-I253 HydrophobicContact CD2-CG1 4.35Å; L249-I253 HydrophobicContact CG-CD1 4.43Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 2.85Å; L250-I253 PolarHBondContact O-N 3.45Å; L250-I253 VanDerWaalsContact O-N 3.16Å; W251-I253 VanDerWaalsContact C-N 3.32Å; W251-I253 PolarHBondContact O-N 2.94Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 3.24Å; I253-D256 PolarHBondContact O-N 2.93Å
254	F	96.5	Very high	91.4	Very high	2 Å²	2	24 Å²	24	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-66.1	-35.2	-176.6	-58.1	-15	0	0	0	111.3	W167 K170 L250 W251 D256 A286 T290 L294 M298	W167-F254 HydrophobicContact CH2-CB 4.03Å; W167-F254 HydrophobicContact CH2-CG 4.41Å; W167-F254 HydrophobicContact CZ3-CB 4.01Å; W167-F254 AromaticContact CZ3-CD1 3.73Å; W167-F254 HydrophobicContact CZ3-CD1 3.73Å; W167-F254 HydrophobicContact CZ3-CE1 4.46Å; W167-F254 AromaticContact CZ3-CG 3.95Å; W167-F254 HydrophobicContact CZ3-CG 3.95Å; K170-F254 PolarHBondContact NZ-O 3.26Å; K170-F254 VanDerWaalsContact NZ-O 3.1Å; L250-F254 HydrophobicContact CB-CE1 4.47Å; L250-F254 HydrophobicContact CB-CE2 3.93Å; L250-F254 HydrophobicContact CB-CZ 3.85Å; L250-F254 HydrophobicContact CD1-CZ 4.5Å; L250-F254 HydrophobicContact CD2-CE1 4.48Å; L250-F254 HydrophobicContact CD2-CZ 4.13Å; L250-F254 HydrophobicContact CG-CZ 4.38Å; L250-F254 VanDerWaalsContact O-CD1 3.23Å; L250-F254 WeakPolarHBondContact O-CD1 3.38Å; L250-F254 WeakPolarHBondContact O-CD2 3.46Å; L250-F254 WeakPolarHBondContact O-CG 3.22Å; L250-F254 PolarHBondContact O-N 2.76Å; W251-F254 PolarHBondContact O-N 2.96Å; F254-D256 VanDerWaalsContact C-N 3.32Å; F254-D256 PolarHBondContact O-N 3.08Å; F254-A286 HydrophobicContact CD2-CB 4.38Å; F254-T290 HydrophobicContact CB-CG2 4.5Å; F254-T290 HydrophobicContact CD2-CG2 3.75Å; F254-T290 HydrophobicContact CE2-CG2 4.14Å; F254-T290 HydrophobicContact CG-CG2 4.13Å; F254-L294 HydrophobicContact CE1-CB 4.36Å; F254-L294 HydrophobicContact CE1-CD1 4.3Å; F254-L294 HydrophobicContact CE1-CD2 4.27Å; F254-L294 HydrophobicContact CE2-CB 4.02Å; F254-L294 HydrophobicContact CZ-CB 3.73Å; F254-L294 HydrophobicContact CZ-CD1 4.46Å; F254-L294 HydrophobicContact CZ-CD2 3.99Å; F254-L294 HydrophobicContact CZ-CG 4.28Å; F254-M298 HydrophobicContact CD2-SD 3.89Å; F254-M298 HydrophobicContact CE2-CB 3.93Å; F254-M298 HydrophobicContact CE2-CG 4.32Å; F254-M298 HydrophobicContact CE2-SD 4.07Å
255	S	94.2	Very high	90	Very high	7 Å²	7	26 Å²	26	5%	0.049	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	16.2	-178.7	-51.2	0	0	0	0	114.2	W251 I253 G257 K258	W251-S255 WeakPolarHBondContact O-CB 3.39Å; W251-S255 PolarHBondContact O-N 2.87Å; W251-S255 PolarHBondContact O-OG 2.63Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 3.24Å; S255-G257 VanDerWaalsContact C-N 3.27Å; S255-G257 PolarHBondContact O-N 2.66Å; S255-K258 WeakPolarHBondContact O-CG 3.21Å; S255-K258 PolarHBondContact O-N 2.65Å
256	D	93.4	Very high	88.4	Confident	20 Å²	20	31.6 Å²	31.6	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	43.9	179.8	-61.8	-25.2	0	0	0	113.5	K162 G163 K170 E252 I253 F254	K162-D256 HydrophobicContact CB-CB 4.1Å; K162-D256 HydrophobicContact CG-CB 3.77Å; G163-D256 PolarHBondContact N-OD2 2.83Å; K170-D256 WeakPolarHBondContact CE-OD1 3.21Å; K170-D256 IonicContact NZ-OD1 3.79Å; K170-D256 PolarHBondContact NZ-OD1 3.3Å; K170-D256 IonicContact NZ-OD2 3.34Å; E252-D256 PolarHBondContact O-N 3.37Å; I253-D256 PolarHBondContact O-N 2.93Å; F254-D256 VanDerWaalsContact C-N 3.32Å; F254-D256 PolarHBondContact O-N 3.08Å
257	G	91	Very high	86.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	1.1	172.7	0	0	0	0	0	115.7	L155 Y159 E252 S255	L155-G257 WeakPolarHBondContact CD1-O 3.33Å; Y159-G257 WeakPolarHBondContact CE2-O 3.18Å; Y159-G257 PolarHBondContact OH-O 2.91Å; E252-G257 WeakPolarHBondContact O-CA 3.45Å; E252-G257 PolarHBondContact O-N 3.13Å; S255-G257 VanDerWaalsContact C-N 3.27Å; S255-G257 PolarHBondContact O-N 2.66Å
258	K	91.4	Very high	83.9	Confident	94 Å²	94	43.9 Å²	43.9	41%	0.409	21%	0.213	S	C	.	.			trans	-45	147.7	177.4	-77.8	-177	-168.5	179.6	0	112.4	W251 S255 P260	W251-K258 HydrophobicContact CH2-CB 3.78Å; W251-K258 HydrophobicContact CZ3-CB 4.14Å; W251-K258 VanDerWaalsContact CZ3-O 3.24Å; W251-K258 WeakPolarHBondContact CZ3-O 3.41Å; S255-K258 WeakPolarHBondContact O-CG 3.21Å; S255-K258 PolarHBondContact O-N 2.65Å; K258-P260 WeakPolarHBondContact O-CD 3.41Å
259	A	88.4	Confident	82	Confident	27 Å²	27	46.9 Å²	46.9	22%	0.223	24%	0.243	C	C	.	.			trans	-74	129.1	178.4	0	0	0	0	0	110.7	W251 Y261 E262	W251-A259 WeakPolarHBondContact CH2-O 3.32Å; A259-Y261 PolarHBondContact O-N 3.43Å; A259-E262 HydrophobicContact CB-CB 4.15Å; A259-E262 HydrophobicContact CB-CG 4.48Å; A259-E262 WeakPolarHBondContact O-CB 3.26Å; A259-E262 PolarHBondContact O-N 2.99Å
260	P	88.9	Confident	80.3	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.013	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.5	178.7	-26.5	34.5	0	0	0	112	K232 W233 I248 W251 E252 K258 E262 Q265 L284	K232-P260 HydrophobicContact CB-CB 4.3Å; W233-P260 HydrophobicContact CH2-CG 4.43Å; W233-P260 HydrophobicContact CZ2-CG 3.77Å; I248-P260 HydrophobicContact CG2-CB 3.98Å; I248-P260 HydrophobicContact CG2-CG 3.65Å; W251-P260 HydrophobicContact CE3-CB 4.32Å; W251-P260 HydrophobicContact CE3-CG 4.06Å; W251-P260 VanDerWaalsContact CZ3-CA 3.42Å; W251-P260 HydrophobicContact CZ3-CB 4.06Å; W251-P260 HydrophobicContact CZ3-CG 3.89Å; E252-P260 HydrophobicContact CG-CG 3.94Å; K258-P260 WeakPolarHBondContact O-CD 3.41Å; P260-E262 PolarHBondContact O-N 3.38Å; P260-Q265 PolarHBondContact O-NE2 3.05Å; P260-L284 HydrophobicContact CB-CD1 4.05Å
261	Y	86.2	Confident	78.8	Confident	10 Å²	10	57.5 Å²	57.5	4%	0.039	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	20	179.1	-45.9	-80.4	0	0	0	114.9	K232 I248 A259 E263 M264 Q265 K274 F277 L278 L284	K232-Y261 HydrophobicContact CB-CD2 4.22Å; K232-Y261 HydrophobicContact CB-CE2 4.49Å; K232-Y261 WeakPolarHBondContact O-CE2 3.35Å; I248-Y261 HydrophobicContact CD1-CE2 4.29Å; I248-Y261 WeakPolarHBondContact CD1-OH 3.38Å; A259-Y261 PolarHBondContact O-N 3.43Å; Y261-E263 VanDerWaalsContact C-N 3.29Å; Y261-E263 PolarHBondContact O-N 3.03Å; Y261-M264 HydrophobicContact CD1-CE 4.25Å; Y261-M264 HydrophobicContact CD1-SD 3.92Å; Y261-M264 WeakPolarHBondContact O-CB 3.49Å; Y261-M264 PolarHBondContact O-N 3.47Å; Y261-Q265 WeakPolarHBondContact O-CG 3.24Å; Y261-Q265 PolarHBondContact O-N 2.86Å; Y261-Q265 PolarHBondContact O-NE2 2.83Å; Y261-K274 HydrophobicContact CD2-CD 4.09Å; Y261-K274 HydrophobicContact CE2-CD 3.97Å; Y261-K274 HydrophobicContact CE2-CG 4.47Å; Y261-F277 HydrophobicContact CE1-CD1 4.31Å; Y261-F277 HydrophobicContact CE1-CE1 4.23Å; Y261-L278 HydrophobicContact CE1-CD2 4.4Å; Y261-L284 HydrophobicContact CD1-CD2 3.49Å; Y261-L284 VanDerWaalsContact CD1-CD2 3.49Å; Y261-L284 HydrophobicContact CD1-CG 4.09Å; Y261-L284 HydrophobicContact CD2-CD2 4.4Å; Y261-L284 HydrophobicContact CE1-CD1 4.19Å; Y261-L284 HydrophobicContact CE1-CD2 3.51Å; Y261-L284 HydrophobicContact CE1-CG 3.55Å; Y261-L284 HydrophobicContact CE2-CD1 4.04Å; Y261-L284 HydrophobicContact CE2-CD2 4.41Å; Y261-L284 HydrophobicContact CE2-CG 4.31Å; Y261-L284 HydrophobicContact CG-CD2 3.96Å
262	E	81.2	Confident	77.5	Confident	100 Å²	100	61.7 Å²	61.7	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-48.3	-47.2	-175.7	-175.5	166.4	-160.3	0	0	113.5	A259 P260 M264 Q265 T266	A259-E262 HydrophobicContact CB-CB 4.15Å; A259-E262 HydrophobicContact CB-CG 4.48Å; A259-E262 WeakPolarHBondContact O-CB 3.26Å; A259-E262 PolarHBondContact O-N 2.99Å; P260-E262 PolarHBondContact O-N 3.38Å; E262-M264 PolarHBondContact O-N 3.13Å; E262-Q265 WeakPolarHBondContact O-CB 3.23Å; E262-Q265 PolarHBondContact O-N 2.84Å; E262-T266 PolarHBondContact O-N 3.33Å; E262-T266 PolarHBondContact O-OG1 3.38Å
263	E	73.6	Confident	76.2	Confident	162 Å²	162	67.4 Å²	67.4	76%	0.757	34%	0.335	S	S	*	.	H	α-helix	trans	-60.4	-30.4	178.5	-62.1	173.5	-168.6	0	0	113.4	Y261 Q265 T266	Y261-E263 VanDerWaalsContact C-N 3.29Å; Y261-E263 PolarHBondContact O-N 3.03Å; E263-Q265 VanDerWaalsContact C-N 3.33Å; E263-T266 PolarHBondContact O-OG1 3.31Å
264	M	71.9	Confident	75.2	Confident	53 Å²	53	68 Å²	68	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-78.3	-21.6	176.7	-59.7	-179.5	-169.1	0	0	112.4	Y261 E262 F277	Y261-M264 HydrophobicContact CD1-CE 4.25Å; Y261-M264 HydrophobicContact CD1-SD 3.92Å; Y261-M264 WeakPolarHBondContact O-CB 3.49Å; Y261-M264 PolarHBondContact O-N 3.47Å; E262-M264 PolarHBondContact O-N 3.13Å; M264-F277 HydrophobicContact CE-CB 4.47Å; M264-F277 HydrophobicContact CE-CD1 3.81Å; M264-F277 HydrophobicContact CE-CD2 3.27Å; M264-F277 HydrophobicContact CE-CE1 3.73Å; M264-F277 HydrophobicContact CE-CE2 3.17Å; M264-F277 HydrophobicContact CE-CG 3.59Å; M264-F277 HydrophobicContact CE-CZ 3.41Å; M264-F277 VanDerWaalsContact CE-CZ 3.41Å; M264-F277 HydrophobicContact SD-CB 4.19Å; M264-F277 HydrophobicContact SD-CD1 4.23Å; M264-F277 HydrophobicContact SD-CD2 4.04Å; M264-F277 HydrophobicContact SD-CE2 4.48Å; M264-F277 HydrophobicContact SD-CG 3.9Å
265	Q	64.6	Low	74.2	Confident	43 Å²	43	73.6 Å²	73.6	20%	0.201	36%	0.359	C	S	.	.	H	α-helix	trans	-85.6	-38.8	-175.7	-36.7	-167.2	-4.3	0	0	111.4	K232 P260 Y261 E262 E263 Q267 N270	K232-Q265 VanDerWaalsContact CE-CD 3.42Å; K232-Q265 VanDerWaalsContact NZ-CD 3.25Å; P260-Q265 PolarHBondContact O-NE2 3.05Å; Y261-Q265 WeakPolarHBondContact O-CG 3.24Å; Y261-Q265 PolarHBondContact O-N 2.86Å; Y261-Q265 PolarHBondContact O-NE2 2.83Å; E262-Q265 WeakPolarHBondContact O-CB 3.23Å; E262-Q265 PolarHBondContact O-N 2.84Å; E263-Q265 VanDerWaalsContact C-N 3.33Å; Q265-Q267 PolarHBondContact O-N 3.11Å; Q265-N270 WeakPolarHBondContact CB-OD1 3.06Å; Q265-N270 WeakPolarHBondContact CG-OD1 3.45Å; Q265-N270 PolarHBondContact NE2-OD1 2.64Å; Q265-N270 PolarHBondContact OE1-ND2 3.46Å; Q265-N270 PolarHBondContact OE1-OD1 3.32Å
266	T	60.8	Low	73.3	Confident	117 Å²	117	78 Å²	78	72%	0.718	38%	0.381	S	S	*	.	H	α-helix	trans	-64.4	-27.5	178.4	47.5	0	0	0	0	111.6	E262 E263	E262-T266 PolarHBondContact O-N 3.33Å; E262-T266 PolarHBondContact O-OG1 3.38Å; E263-T266 PolarHBondContact O-OG1 3.31Å
267	Q	51.9	Low	72.7	Confident	125 Å²	125	78.8 Å²	78.8	58%	0.584	38%	0.383	S	S	*	.	H	α-helix	trans	-87.4	-49.2	-176.3	-132.5	-176.2	-8.2	0	0	113.6	Q265	Q265-Q267 PolarHBondContact O-N 3.11Å
268	Y	47	Very low	72.4	Confident	134 Å²	134	79 Å²	79	53%	0.525	38%	0.384	S	S	.	.	S	Bend	trans	-162.8	106.9	-175.1	-61.8	-82.4	0	0	0	113.1
269	G	56.2	Low	71.8	Confident	62 Å²	62	80.2 Å²	80.2	64%	0.639	40%	0.395	S	S	*	.			trans	43	100.3	156.6	0	0	0	0	0	118.7	K271	G269-K271 PolarHBondContact O-N 3.26Å
270	N	62.3	Low	71.5	Confident	79 Å²	79	82.4 Å²	82.4	42%	0.422	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-26.3	-158.8	-107.3	-41.7	0	0	0	122.3	Q265	Q265-N270 WeakPolarHBondContact CB-OD1 3.06Å; Q265-N270 WeakPolarHBondContact CG-OD1 3.45Å; Q265-N270 PolarHBondContact NE2-OD1 2.64Å; Q265-N270 PolarHBondContact OE1-ND2 3.46Å; Q265-N270 PolarHBondContact OE1-OD1 3.32Å
271	K	66.2	Low	71.2	Confident	145 Å²	145	84.8 Å²	84.8	63%	0.63	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-49	-165.5	-64.7	-170.9	-177.1	177.8	0	114.2	V231 G269 R275	V231-K271 HydrophobicContact CG1-CG 4.31Å; G269-K271 PolarHBondContact O-N 3.26Å; K271-R275 PolarHBondContact O-N 2.89Å; K271-R275 VanDerWaalsContact O-N 3.09Å
272	E	68.2	Low	71.1	Confident	108 Å²	108	90.3 Å²	90.3	51%	0.505	46%	0.457	S	S	.	.	H	α-helix	trans	-72.9	-40.4	-170.6	-163.2	57.2	-147.8	0	0	111.6	R275 I276	E272-R275 WeakPolarHBondContact O-CB 3.39Å; E272-R275 PolarHBondContact O-N 3.45Å; E272-R275 VanDerWaalsContact O-N 3.15Å; E272-I276 HydrophobicContact CG-CD1 4.08Å; E272-I276 WeakPolarHBondContact O-CG1 3.27Å; E272-I276 PolarHBondContact O-N 3.38Å
273	R	70.7	Confident	71.5	Confident	123 Å²	123	87.4 Å²	87.4	46%	0.464	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-39.4	175.5	-76.9	-165.1	175.2	-140.8	1.6	113.2	R275 I276 F277	R273-R275 VanDerWaalsContact C-N 3.26Å; R273-R275 PolarHBondContact O-N 3.16Å; R273-I276 PolarHBondContact O-N 2.96Å; R273-F277 WeakPolarHBondContact O-CB 3.48Å; R273-F277 PolarHBondContact O-N 3Å
274	K	75.4	Confident	72.3	Confident	14 Å²	14	80.3 Å²	80.3	6%	0.061	41%	0.409	C	S	.	.	H	α-helix	trans	-57.4	-46.2	171.6	-178.6	-172.1	164	-174.7	0	109.7	V231 K232 T234 Y261 F277 L278	V231-K274 PolarHBondContact O-NZ 2.78Å; K232-K274 VanDerWaalsContact C-NZ 3.26Å; K232-K274 PolarHBondContact O-NZ 3.05Å; T234-K274 PolarHBondContact O-NZ 3.36Å; Y261-K274 HydrophobicContact CD2-CD 4.09Å; Y261-K274 HydrophobicContact CE2-CD 3.97Å; Y261-K274 HydrophobicContact CE2-CG 4.47Å; K274-F277 PolarHBondContact O-N 3.45Å; K274-L278 HydrophobicContact CD-CD1 4.42Å; K274-L278 HydrophobicContact CG-CD1 4.1Å; K274-L278 HydrophobicContact CG-CG 4.37Å; K274-L278 WeakPolarHBondContact O-CB 3.47Å; K274-L278 VanDerWaalsContact O-CG 3.31Å; K274-L278 WeakPolarHBondContact O-CG 3.37Å; K274-L278 PolarHBondContact O-N 3.1Å
275	R	74.5	Confident	73.3	Confident	119 Å²	119	85.8 Å²	85.8	45%	0.449	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-51	179.3	-169.2	-177.1	-176.5	-166	-3.7	111.4	K271 E272 R273 F277 L278 L279	K271-R275 PolarHBondContact O-N 2.89Å; K271-R275 VanDerWaalsContact O-N 3.09Å; E272-R275 WeakPolarHBondContact O-CB 3.39Å; E272-R275 PolarHBondContact O-N 3.45Å; E272-R275 VanDerWaalsContact O-N 3.15Å; R273-R275 VanDerWaalsContact C-N 3.26Å; R273-R275 PolarHBondContact O-N 3.16Å; R275-F277 VanDerWaalsContact C-N 3.33Å; R275-F277 PolarHBondContact O-N 3.23Å; R275-L278 PolarHBondContact O-N 3.18Å; R275-L279 HydrophobicContact CG-CD1 3.81Å; R275-L279 HydrophobicContact CG-CG 4.23Å; R275-L279 VanDerWaalsContact O-CB 3.3Å; R275-L279 WeakPolarHBondContact O-CB 3.17Å; R275-L279 WeakPolarHBondContact O-CG 3.39Å; R275-L279 PolarHBondContact O-N 2.78Å
276	I	74.9	Confident	74.7	Confident	99 Å²	99	84.7 Å²	84.7	51%	0.508	43%	0.433	S	S	.	.	H	α-helix	trans	-57.4	-46.2	176.7	-67.7	166.1	0	0	0	110.8	E272 R273 L278 L279 S280	E272-I276 HydrophobicContact CG-CD1 4.08Å; E272-I276 WeakPolarHBondContact O-CG1 3.27Å; E272-I276 PolarHBondContact O-N 3.38Å; R273-I276 PolarHBondContact O-N 2.96Å; I276-L278 PolarHBondContact O-N 3.19Å; I276-L279 PolarHBondContact O-N 2.76Å; I276-S280 WeakPolarHBondContact O-CB 3.41Å; I276-S280 PolarHBondContact O-N 3.24Å
277	F	82.2	Confident	76.3	Confident	37 Å²	37	80.7 Å²	80.7	16%	0.162	41%	0.409	C	S	.	.	H	α-helix	trans	-56.8	-50	177.2	178.2	-93.8	0	0	0	111.5	Y261 M264 R273 K274 R275 S280 K282 R283	Y261-F277 HydrophobicContact CE1-CD1 4.31Å; Y261-F277 HydrophobicContact CE1-CE1 4.23Å; M264-F277 HydrophobicContact CE-CB 4.47Å; M264-F277 HydrophobicContact CE-CD1 3.81Å; M264-F277 HydrophobicContact CE-CD2 3.27Å; M264-F277 HydrophobicContact CE-CE1 3.73Å; M264-F277 HydrophobicContact CE-CE2 3.17Å; M264-F277 HydrophobicContact CE-CG 3.59Å; M264-F277 HydrophobicContact CE-CZ 3.41Å; M264-F277 VanDerWaalsContact CE-CZ 3.41Å; M264-F277 HydrophobicContact SD-CB 4.19Å; M264-F277 HydrophobicContact SD-CD1 4.23Å; M264-F277 HydrophobicContact SD-CD2 4.04Å; M264-F277 HydrophobicContact SD-CE2 4.48Å; M264-F277 HydrophobicContact SD-CG 3.9Å; R273-F277 WeakPolarHBondContact O-CB 3.48Å; R273-F277 PolarHBondContact O-N 3Å; K274-F277 PolarHBondContact O-N 3.45Å; R275-F277 VanDerWaalsContact C-N 3.33Å; R275-F277 PolarHBondContact O-N 3.23Å; F277-S280 PolarHBondContact O-N 2.92Å; F277-S280 PolarHBondContact O-OG 3.46Å; F277-K282 HydrophobicContact CD1-CB 4.05Å; F277-K282 HydrophobicContact CD2-CB 3.78Å; F277-K282 HydrophobicContact CD2-CD 3.76Å; F277-K282 HydrophobicContact CD2-CG 4.4Å; F277-K282 HydrophobicContact CE1-CB 3.69Å; F277-K282 HydrophobicContact CE2-CB 3.39Å; F277-K282 HydrophobicContact CE2-CD 3.53Å; F277-K282 HydrophobicContact CE2-CG 4.1Å; F277-K282 HydrophobicContact CG-CB 4.1Å; F277-K282 HydrophobicContact CZ-CB 3.35Å; F277-K282 HydrophobicContact CZ-CD 4.33Å; F277-K282 HydrophobicContact CZ-CG 4.45Å; F277-K282 PolarHBondContact O-N 3.13Å; F277-R283 VanDerWaalsContact CZ-O 3.28Å; F277-R283 WeakPolarHBondContact CZ-O 3.39Å
278	L	83.6	Confident	78.3	Confident	6 Å²	6	81.3 Å²	81.3	3%	0.031	42%	0.421	C	S	.	.	H	α-helix	trans	-68.5	-37.4	179.2	-67	-178.3	0	0	0	113.2	P236 W244 Y261 K274 R275 I276 S280 G281 R283	P236-L278 HydrophobicContact CB-CB 4.1Å; P236-L278 HydrophobicContact CB-CD1 4.04Å; P236-L278 HydrophobicContact CG-CB 4.22Å; P236-L278 HydrophobicContact CG-CD1 4.2Å; W244-L278 HydrophobicContact CH2-CD1 4.15Å; W244-L278 HydrophobicContact CH2-CD2 3.98Å; W244-L278 HydrophobicContact CZ2-CD1 3.69Å; W244-L278 HydrophobicContact CZ2-CD2 3.84Å; W244-L278 HydrophobicContact CZ2-CG 4.39Å; Y261-L278 HydrophobicContact CE1-CD2 4.4Å; K274-L278 HydrophobicContact CD-CD1 4.42Å; K274-L278 HydrophobicContact CG-CD1 4.1Å; K274-L278 HydrophobicContact CG-CG 4.37Å; K274-L278 WeakPolarHBondContact O-CB 3.47Å; K274-L278 VanDerWaalsContact O-CG 3.31Å; K274-L278 WeakPolarHBondContact O-CG 3.37Å; K274-L278 PolarHBondContact O-N 3.1Å; R275-L278 PolarHBondContact O-N 3.18Å; I276-L278 PolarHBondContact O-N 3.19Å; L278-S280 VanDerWaalsContact C-N 3.27Å; L278-S280 PolarHBondContact O-N 2.95Å; L278-G281 PolarHBondContact O-N 3.38Å; L278-G281 VanDerWaalsContact O-N 3.12Å; L278-R283 PolarHBondContact O-NH1 2.9Å
279	L	79.3	Confident	80.5	Confident	120 Å²	120	81 Å²	81	63%	0.628	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-29.2	175.6	-73.4	175.8	0	0	0	112	R275 I276 G281	R275-L279 HydrophobicContact CG-CD1 3.81Å; R275-L279 HydrophobicContact CG-CG 4.23Å; R275-L279 VanDerWaalsContact O-CB 3.3Å; R275-L279 WeakPolarHBondContact O-CB 3.17Å; R275-L279 WeakPolarHBondContact O-CG 3.39Å; R275-L279 PolarHBondContact O-N 2.78Å; I276-L279 PolarHBondContact O-N 2.76Å; L279-G281 PolarHBondContact O-N 3.48Å; L279-G281 VanDerWaalsContact O-N 3.16Å
280	S	81.7	Confident	82.5	Confident	72 Å²	72	78.8 Å²	78.8	50%	0.503	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	4.9	172.6	75.3	0	0	0	0	114	I276 F277 L278 K282	I276-S280 WeakPolarHBondContact O-CB 3.41Å; I276-S280 PolarHBondContact O-N 3.24Å; F277-S280 PolarHBondContact O-N 2.92Å; F277-S280 PolarHBondContact O-OG 3.46Å; L278-S280 VanDerWaalsContact C-N 3.27Å; L278-S280 PolarHBondContact O-N 2.95Å; S280-K282 PolarHBondContact O-N 3.41Å; S280-K282 WeakPolarHBondContact OG-CG 3.42Å
281	G	82.1	Confident	84.1	Confident	52 Å²	52	76.8 Å²	76.8	54%	0.536	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-10.4	-177.8	0	0	0	0	0	114.3	L278 L279 R283	L278-G281 PolarHBondContact O-N 3.38Å; L278-G281 VanDerWaalsContact O-N 3.12Å; L279-G281 PolarHBondContact O-N 3.48Å; L279-G281 VanDerWaalsContact O-N 3.16Å; G281-R283 VanDerWaalsContact C-NH1 3.3Å; G281-R283 PolarHBondContact O-NH1 2.84Å; G281-R283 VanDerWaalsContact O-NH1 3.16Å
282	K	85.4	Confident	85.6	Confident	126 Å²	126	77.2 Å²	77.2	55%	0.548	39%	0.391	S	S	.	.			trans	-68.3	152.3	179.1	-60.2	-177.7	-179.8	-170.8	0	112.3	F277 S280	F277-K282 HydrophobicContact CD1-CB 4.05Å; F277-K282 HydrophobicContact CD2-CB 3.78Å; F277-K282 HydrophobicContact CD2-CD 3.76Å; F277-K282 HydrophobicContact CD2-CG 4.4Å; F277-K282 HydrophobicContact CE1-CB 3.69Å; F277-K282 HydrophobicContact CE2-CB 3.39Å; F277-K282 HydrophobicContact CE2-CD 3.53Å; F277-K282 HydrophobicContact CE2-CG 4.1Å; F277-K282 HydrophobicContact CG-CB 4.1Å; F277-K282 HydrophobicContact CZ-CB 3.35Å; F277-K282 HydrophobicContact CZ-CD 4.33Å; F277-K282 HydrophobicContact CZ-CG 4.45Å; F277-K282 PolarHBondContact O-N 3.13Å; S280-K282 PolarHBondContact O-N 3.41Å; S280-K282 WeakPolarHBondContact OG-CG 3.42Å
283	R	89.2	Confident	87	Confident	40 Å²	40	75.3 Å²	75.3	15%	0.151	38%	0.379	C	S	.	.			trans	-135.6	168.3	-178.1	-63.1	-60.3	179.8	-94	1.3	110.5	F277 L278 G281 L299 M302 G304	F277-R283 VanDerWaalsContact CZ-O 3.28Å; F277-R283 WeakPolarHBondContact CZ-O 3.39Å; L278-R283 PolarHBondContact O-NH1 2.9Å; G281-R283 VanDerWaalsContact C-NH1 3.3Å; G281-R283 PolarHBondContact O-NH1 2.84Å; G281-R283 VanDerWaalsContact O-NH1 3.16Å; R283-L299 HydrophobicContact CB-CD2 4Å; R283-L299 HydrophobicContact CG-CD2 4.47Å; R283-M302 PolarHBondContact NE-O 2.7Å; R283-M302 PolarHBondContact NH2-O 3.35Å; R283-G304 VanDerWaalsContact NH2-CA 3.33Å
284	L	90.7	Very high	88.3	Confident	13 Å²	13	69.5 Å²	69.5	7%	0.068	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-61.4	138	169.7	-71.9	170.3	0	0	0	109.4	I248 W251 P260 Y261	I248-L284 HydrophobicContact CD1-CD1 3.57Å; I248-L284 HydrophobicContact CG2-CD1 4.41Å; W251-L284 HydrophobicContact CB-CD1 4.32Å; W251-L284 HydrophobicContact CD2-CB 4.25Å; W251-L284 HydrophobicContact CD2-CD1 3.77Å; W251-L284 HydrophobicContact CD2-CG 4.41Å; W251-L284 HydrophobicContact CE3-CD1 4Å; W251-L284 HydrophobicContact CG-CB 3.95Å; W251-L284 HydrophobicContact CG-CD1 3.91Å; W251-L284 HydrophobicContact CG-CG 4.49Å; W251-L284 HydrophobicContact CZ2-CD2 4.25Å; P260-L284 HydrophobicContact CB-CD1 4.05Å; Y261-L284 HydrophobicContact CD1-CD2 3.49Å; Y261-L284 VanDerWaalsContact CD1-CD2 3.49Å; Y261-L284 HydrophobicContact CD1-CG 4.09Å; Y261-L284 HydrophobicContact CD2-CD2 4.4Å; Y261-L284 HydrophobicContact CE1-CD1 4.19Å; Y261-L284 HydrophobicContact CE1-CD2 3.51Å; Y261-L284 HydrophobicContact CE1-CG 3.55Å; Y261-L284 HydrophobicContact CE2-CD1 4.04Å; Y261-L284 HydrophobicContact CE2-CD2 4.41Å; Y261-L284 HydrophobicContact CE2-CG 4.31Å; Y261-L284 HydrophobicContact CG-CD2 3.96Å
285	E	92.3	Very high	89.4	Confident	168 Å²	168	70.9 Å²	70.9	79%	0.785	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-96.1	125.3	177.5	-65.7	175.7	-167.1	0	0	108.9	W251	W251-E285 PolarHBondContact NE1-O 3.14Å
286	A	93.6	Very high	90.4	Very high	20 Å²	20	67.7 Å²	67.7	17%	0.165	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.2	158.1	173.5	0	0	0	0	0	110.7	F254 T290 N295 M298	F254-A286 HydrophobicContact CD2-CB 4.38Å; A286-T290 HydrophobicContact CB-CG2 4.13Å; A286-T290 WeakPolarHBondContact CB-OG1 3.48Å; A286-N295 WeakPolarHBondContact CB-OD1 3.35Å; A286-M298 HydrophobicContact CB-CE 3.89Å; A286-M298 HydrophobicContact CB-SD 4.17Å
287	P	94.2	Very high	91.5	Very high	33 Å²	33	63.3 Å²	63.3	21%	0.214	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-53.1	147.1	171.1	-25.5	34.9	0	0	0	112.1	E289 T290	P287-E289 WeakPolarHBondContact CB-OE2 3.41Å; P287-E289 PolarHBondContact O-N 3.29Å; P287-E289 VanDerWaalsContact O-N 3.13Å; P287-T290 WeakPolarHBondContact CD-OG1 3.42Å; P287-T290 WeakPolarHBondContact O-CB 3.43Å; P287-T290 PolarHBondContact O-N 3.01Å; P287-T290 PolarHBondContact O-OG1 3.3Å
288	V	94.4	Very high	92.3	Very high	138 Å²	138	61.5 Å²	61.5	84%	0.836	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-26	-174.2	66.8	0	0	0	0	112.7	T290	V288-T290 PolarHBondContact O-N 3.01Å
289	E	94.5	Very high	92.8	Very high	128 Å²	128	64.2 Å²	64.2	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.3	178.7	-53.5	78.3	-171.6	0	0	112.9	W167 P287 P291	W167-E289 VanDerWaalsContact CE2-O 3.31Å; W167-E289 HydrophobicContact CZ2-CB 4.21Å; W167-E289 WeakPolarHBondContact CZ2-O 3.47Å; W167-E289 PolarHBondContact NE1-O 3.08Å; P287-E289 WeakPolarHBondContact CB-OE2 3.41Å; P287-E289 PolarHBondContact O-N 3.29Å; P287-E289 VanDerWaalsContact O-N 3.13Å; E289-P291 WeakPolarHBondContact O-CD 3.23Å
290	T	96.6	Very high	93.6	Very high	14 Å²	14	62.7 Å²	62.7	9%	0.086	33%	0.33	C	S	.	.	S	Bend	trans	-65.2	122.4	-178	-53.3	0	0	0	0	110.8	W167 F254 A286 P287 V288 K292 L294 N295	W167-T290 VanDerWaalsContact CH2-CA 3.46Å; W167-T290 HydrophobicContact CH2-CG2 3.83Å; W167-T290 VanDerWaalsContact CH2-OG1 3.26Å; W167-T290 WeakPolarHBondContact CH2-OG1 3.26Å; W167-T290 HydrophobicContact CZ3-CG2 3.91Å; F254-T290 HydrophobicContact CB-CG2 4.5Å; F254-T290 HydrophobicContact CD2-CG2 3.75Å; F254-T290 HydrophobicContact CE2-CG2 4.14Å; F254-T290 HydrophobicContact CG-CG2 4.13Å; A286-T290 HydrophobicContact CB-CG2 4.13Å; A286-T290 WeakPolarHBondContact CB-OG1 3.48Å; P287-T290 WeakPolarHBondContact CD-OG1 3.42Å; P287-T290 WeakPolarHBondContact O-CB 3.43Å; P287-T290 PolarHBondContact O-N 3.01Å; P287-T290 PolarHBondContact O-OG1 3.3Å; V288-T290 PolarHBondContact O-N 3.01Å; T290-K292 PolarHBondContact O-N 3.42Å; T290-L294 HydrophobicContact CG2-CB 4.08Å; T290-N295 HydrophobicContact CG2-CB 4.06Å
291	P	97.1	Very high	94.2	Very high	38 Å²	38	59.3 Å²	59.3	25%	0.247	31%	0.306	C	S	.	.			trans	-50.9	131.5	174.6	-29.5	34.3	0	0	0	111.3	W167 E289 R293 L294 N295	W167-P291 HydrophobicContact CB-CG 4.05Å; W167-P291 HydrophobicContact CD2-CG 3.8Å; W167-P291 VanDerWaalsContact CE3-CD 3.49Å; W167-P291 HydrophobicContact CE3-CG 4.2Å; W167-P291 HydrophobicContact CG-CG 3.68Å; E289-P291 WeakPolarHBondContact O-CD 3.23Å; P291-R293 PolarHBondContact O-N 3.32Å; P291-R293 VanDerWaalsContact O-N 3.08Å; P291-L294 HydrophobicContact CB-CD1 4.14Å; P291-L294 HydrophobicContact CB-CG 4.42Å; P291-L294 HydrophobicContact CG-CD1 3.95Å; P291-L294 WeakPolarHBondContact O-CB 3.47Å; P291-L294 PolarHBondContact O-N 2.8Å; P291-N295 PolarHBondContact O-N 2.91Å; P291-N295 VanDerWaalsContact O-N 3.11Å
292	K	97	Very high	94.7	Very high	153 Å²	153	56.8 Å²	56.8	67%	0.665	28%	0.28	S	S	*	.	H	α-helix	trans	-49.8	-43.1	-173	-176.9	179	179.5	-64.4	0	112.9	T290 L294 N295 D296	T290-K292 PolarHBondContact O-N 3.42Å; K292-L294 PolarHBondContact O-N 2.98Å; K292-N295 PolarHBondContact O-N 3.21Å; K292-D296 IonicContact NZ-OD1 3.15Å; K292-D296 IonicContact NZ-OD2 2.77Å; K292-D296 PolarHBondContact NZ-OD2 3.45Å; K292-D296 WeakPolarHBondContact O-CB 3.36Å; K292-D296 PolarHBondContact O-N 3.47Å
293	R	97.6	Very high	95	Very high	69 Å²	69	55.9 Å²	55.9	26%	0.26	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-38.5	179.8	-67.2	-172.7	64	-161.6	7.6	113.6	P291 L297 E318 S321 I322 E325	P291-R293 PolarHBondContact O-N 3.32Å; P291-R293 VanDerWaalsContact O-N 3.08Å; R293-L297 WeakPolarHBondContact O-CB 3.35Å; R293-L297 PolarHBondContact O-N 3.47Å; R293-E318 IonicContact CZ-OE1 3.19Å; R293-E318 IonicContact NE-OE1 3.98Å; R293-E318 PolarHBondContact NE-OE1 2.91Å; R293-E318 VanDerWaalsContact NH2-CD 3.33Å; R293-E318 IonicContact NH2-OE1 2.76Å; R293-E318 PolarHBondContact NH2-OE1 3.08Å; R293-E318 IonicContact NH2-OE2 2.75Å; R293-S321 PolarHBondContact NH1-OG 3.15Å; R293-S321 VanDerWaalsContact NH1-OG 3.08Å; R293-S321 PolarHBondContact NH2-OG 3Å; R293-I322 HydrophobicContact CB-CD1 3.8Å; R293-I322 HydrophobicContact CB-CG1 3.93Å; R293-E325 IonicContact CZ-OE1 3.69Å; R293-E325 IonicContact CZ-OE2 3.73Å; R293-E325 IonicContact NH1-OE1 3.77Å; R293-E325 PolarHBondContact NH1-OE1 3.24Å; R293-E325 IonicContact NH1-OE2 2.63Å; R293-E325 PolarHBondContact NH1-OE2 3.15Å
294	L	98	Very high	94.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-44.8	175.1	-74.9	173	0	0	0	111	W167 F254 T290 P291 K292 L297 M298 L319 I322	W167-L294 HydrophobicContact CE3-CD1 3.76Å; W167-L294 HydrophobicContact CZ3-CD1 4.28Å; F254-L294 HydrophobicContact CE1-CB 4.36Å; F254-L294 HydrophobicContact CE1-CD1 4.3Å; F254-L294 HydrophobicContact CE1-CD2 4.27Å; F254-L294 HydrophobicContact CE2-CB 4.02Å; F254-L294 HydrophobicContact CZ-CB 3.73Å; F254-L294 HydrophobicContact CZ-CD1 4.46Å; F254-L294 HydrophobicContact CZ-CD2 3.99Å; F254-L294 HydrophobicContact CZ-CG 4.28Å; T290-L294 HydrophobicContact CG2-CB 4.08Å; P291-L294 HydrophobicContact CB-CD1 4.14Å; P291-L294 HydrophobicContact CB-CG 4.42Å; P291-L294 HydrophobicContact CG-CD1 3.95Å; P291-L294 WeakPolarHBondContact O-CB 3.47Å; P291-L294 PolarHBondContact O-N 2.8Å; K292-L294 PolarHBondContact O-N 2.98Å; L294-L297 PolarHBondContact O-N 3.2Å; L294-M298 WeakPolarHBondContact O-CB 3.33Å; L294-M298 PolarHBondContact O-N 3.1Å; L294-L319 HydrophobicContact CD2-CD2 3.95Å; L294-I322 HydrophobicContact CD1-CG2 4.42Å; L294-I322 HydrophobicContact CD2-CD1 3.95Å; L294-I322 HydrophobicContact CD2-CG2 3.82Å; L294-I322 HydrophobicContact CG-CD1 4.32Å; L294-I322 HydrophobicContact CG-CG2 3.87Å
295	N	97.6	Very high	94.5	Very high	44 Å²	44	59 Å²	59	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-45	176.2	-174.4	50.2	0	0	0	111.5	A286 T290 P291 K292 L297 M298 L299	A286-N295 WeakPolarHBondContact CB-OD1 3.35Å; T290-N295 HydrophobicContact CG2-CB 4.06Å; P291-N295 PolarHBondContact O-N 2.91Å; P291-N295 VanDerWaalsContact O-N 3.11Å; K292-N295 PolarHBondContact O-N 3.21Å; N295-L297 VanDerWaalsContact C-N 3.33Å; N295-L297 PolarHBondContact O-N 2.75Å; N295-M298 WeakPolarHBondContact O-CB 3.18Å; N295-M298 PolarHBondContact O-N 3.19Å; N295-M298 VanDerWaalsContact OD1-CE 3.27Å; N295-M298 WeakPolarHBondContact OD1-CE 3.41Å; N295-L299 WeakPolarHBondContact O-CG 3.36Å; N295-L299 PolarHBondContact O-N 3.32Å
296	D	97.4	Very high	94.1	Very high	52 Å²	52	53.1 Å²	53.1	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-42.5	177.3	-72	-16	0	0	0	111.2	K292 K300	K292-D296 IonicContact NZ-OD1 3.15Å; K292-D296 IonicContact NZ-OD2 2.77Å; K292-D296 PolarHBondContact NZ-OD2 3.45Å; K292-D296 WeakPolarHBondContact O-CB 3.36Å; K292-D296 PolarHBondContact O-N 3.47Å; D296-K300 WeakPolarHBondContact O-CB 3.5Å; D296-K300 WeakPolarHBondContact O-CG 3.5Å; D296-K300 PolarHBondContact O-N 3.25Å
297	L	97.9	Very high	93.7	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-44.7	175.3	177.9	61.5	0	0	0	112.1	L250 R293 L294 N295 L299 K300 C301 I315 E318 L319	L250-L297 HydrophobicContact CD1-CG 4.35Å; R293-L297 WeakPolarHBondContact O-CB 3.35Å; R293-L297 PolarHBondContact O-N 3.47Å; L294-L297 PolarHBondContact O-N 3.2Å; N295-L297 VanDerWaalsContact C-N 3.33Å; N295-L297 PolarHBondContact O-N 2.75Å; L297-L299 PolarHBondContact O-N 3.32Å; L297-K300 WeakPolarHBondContact O-CB 3.49Å; L297-K300 PolarHBondContact O-N 3.35Å; L297-C301 PolarHBondContact O-N 3.21Å; L297-C301 PolarHBondContact O-SG 3.29Å; L297-I315 HydrophobicContact CD1-CG1 4.33Å; L297-I315 HydrophobicContact CD1-CG2 4.43Å; L297-I315 HydrophobicContact CD2-CG2 4.35Å; L297-E318 HydrophobicContact CD1-CB 4.36Å; L297-E318 HydrophobicContact CD1-CG 4.24Å; L297-E318 HydrophobicContact CD2-CB 4.3Å; L297-E318 HydrophobicContact CD2-CG 4.09Å; L297-L319 HydrophobicContact CD2-CD1 4.26Å; L297-L319 HydrophobicContact CD2-CD2 3.69Å; L297-L319 HydrophobicContact CD2-CG 3.6Å
298	M	97.6	Very high	93.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.7	-48.6	176.1	-179.2	-162.5	76.1	0	0	111.3	G247 L250 W251 F254 A286 L294 N295 C301 M302	G247-M298 WeakPolarHBondContact O-CG 3.34Å; L250-M298 HydrophobicContact CB-CB 4.16Å; L250-M298 HydrophobicContact CB-CG 3.93Å; L250-M298 HydrophobicContact CD1-CB 3.98Å; L250-M298 HydrophobicContact CD1-CG 4.49Å; W251-M298 HydrophobicContact CB-SD 3.61Å; W251-M298 HydrophobicContact CG-SD 4.2Å; F254-M298 HydrophobicContact CD2-SD 3.89Å; F254-M298 HydrophobicContact CE2-CB 3.93Å; F254-M298 HydrophobicContact CE2-CG 4.32Å; F254-M298 HydrophobicContact CE2-SD 4.07Å; A286-M298 HydrophobicContact CB-CE 3.89Å; A286-M298 HydrophobicContact CB-SD 4.17Å; L294-M298 WeakPolarHBondContact O-CB 3.33Å; L294-M298 PolarHBondContact O-N 3.1Å; N295-M298 WeakPolarHBondContact O-CB 3.18Å; N295-M298 PolarHBondContact O-N 3.19Å; N295-M298 VanDerWaalsContact OD1-CE 3.27Å; N295-M298 WeakPolarHBondContact OD1-CE 3.41Å; M298-C301 WeakPolarHBondContact O-CB 3.44Å; M298-C301 PolarHBondContact O-N 2.9Å; M298-M302 HydrophobicContact CE-CE 3.93Å; M298-M302 HydrophobicContact CG-CE 3.75Å; M298-M302 PolarHBondContact O-N 3.4Å; M298-M302 HydrophobicContact SD-CE 4.28Å
299	L	95.7	Very high	93.5	Very high	62 Å²	62	56.7 Å²	56.7	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-39	177.5	-67.6	175.6	0	0	0	112.2	R283 N295 L297 C301 M302 R303	R283-L299 HydrophobicContact CB-CD2 4Å; R283-L299 HydrophobicContact CG-CD2 4.47Å; N295-L299 WeakPolarHBondContact O-CG 3.36Å; N295-L299 PolarHBondContact O-N 3.32Å; L297-L299 PolarHBondContact O-N 3.32Å; L299-C301 VanDerWaalsContact C-N 3.3Å; L299-C301 PolarHBondContact O-N 3.26Å; L299-M302 HydrophobicContact CD2-CE 4.23Å; L299-M302 CarbonylContact O-C 3.56Å; L299-M302 PolarHBondContact O-N 3.49Å; L299-M302 VanDerWaalsContact O-N 3.08Å; L299-R303 PolarHBondContact O-N 2.87Å
300	K	95.1	Very high	93.5	Very high	89 Å²	89	52.1 Å²	52.1	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-41	173.1	-77.5	170.9	-173.7	175.9	0	111.9	D296 L297 M302 R303	D296-K300 WeakPolarHBondContact O-CB 3.5Å; D296-K300 WeakPolarHBondContact O-CG 3.5Å; D296-K300 PolarHBondContact O-N 3.25Å; L297-K300 WeakPolarHBondContact O-CB 3.49Å; L297-K300 PolarHBondContact O-N 3.35Å; K300-M302 PolarHBondContact O-N 3.48Å; K300-R303 WeakPolarHBondContact O-CG 3.4Å; K300-R303 PolarHBondContact O-N 2.95Å
301	C	95.2	Very high	93.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-28	176.9	-65.2	0	0	0	0	112.8	V243 L297 M298 L299 R309	V243-C301 HydrophobicContact CG1-CB 4.02Å; V243-C301 WeakPolarHBondContact O-CB 3.27Å; L297-C301 PolarHBondContact O-N 3.21Å; L297-C301 PolarHBondContact O-SG 3.29Å; M298-C301 WeakPolarHBondContact O-CB 3.44Å; M298-C301 PolarHBondContact O-N 2.9Å; L299-C301 VanDerWaalsContact C-N 3.3Å; L299-C301 PolarHBondContact O-N 3.26Å; C301-R309 WeakPolarHBondContact O-CD 3.5Å
302	M	92.8	Very high	93.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	21.5	-179.4	-60.8	-176.1	-68.3	0	0	113.5	W244 I248 R283 M298 L299 K300	W244-M302 HydrophobicContact CD2-CB 4.47Å; W244-M302 HydrophobicContact CD2-CG 4.45Å; W244-M302 HydrophobicContact CE3-CB 4.22Å; W244-M302 HydrophobicContact CH2-CB 4.39Å; W244-M302 HydrophobicContact CZ3-CB 4.2Å; W244-M302 WeakPolarHBondContact CZ3-O 3.12Å; I248-M302 HydrophobicContact CD1-SD 3.5Å; I248-M302 WeakPolarHBondContact CD1-SD 3.36Å; I248-M302 HydrophobicContact CG1-SD 4.25Å; R283-M302 PolarHBondContact NE-O 2.7Å; R283-M302 PolarHBondContact NH2-O 3.35Å; M298-M302 HydrophobicContact CE-CE 3.93Å; M298-M302 HydrophobicContact CG-CE 3.75Å; M298-M302 PolarHBondContact O-N 3.4Å; M298-M302 HydrophobicContact SD-CE 4.28Å; L299-M302 HydrophobicContact CD2-CE 4.23Å; L299-M302 CarbonylContact O-C 3.56Å; L299-M302 PolarHBondContact O-N 3.49Å; L299-M302 VanDerWaalsContact O-N 3.08Å; K300-M302 PolarHBondContact O-N 3.48Å
303	R	90.7	Very high	93.3	Very high	107 Å²	107	55.8 Å²	55.8	40%	0.404	29%	0.285	S	S	.	.			trans	-59.6	145.1	175.4	-78.1	-178.3	170.3	-152.7	8.4	112	L299 K300 V305 E308 R309	L299-R303 PolarHBondContact O-N 2.87Å; K300-R303 WeakPolarHBondContact O-CG 3.4Å; K300-R303 PolarHBondContact O-N 2.95Å; R303-V305 VanDerWaalsContact C-N 3.34Å; R303-E308 HydrophobicContact CB-CB 4.25Å; R303-E308 WeakPolarHBondContact CD-OE2 3.21Å; R303-E308 IonicContact CZ-OE2 3.81Å; R303-E308 IonicContact NE-OE2 3.96Å; R303-E308 IonicContact NH1-OE2 2.98Å; R303-E308 PolarHBondContact NH1-OE2 2.65Å; R303-R309 HydrophobicContact CB-CG 4.2Å; R303-R309 PolarHBondContact O-NE 3.49Å; R303-R309 PolarHBondContact O-NH2 3.4Å
304	G	84	Confident	93.2	Very high	42 Å²	42	54.1 Å²	54.1	43%	0.433	29%	0.289	S	S	.	.	S	Bend	trans	-64.1	-40	-178.6	0	0	0	0	0	112.4	R283	R283-G304 VanDerWaalsContact NH2-CA 3.33Å
305	V	84.5	Confident	93.2	Very high	77 Å²	77	54.1 Å²	54.1	47%	0.467	29%	0.289	S	S	.	.	S	Bend	trans	-83.2	120.4	176.8	-177.7	0	0	0	0	109.5	R303 N307 E308	R303-V305 VanDerWaalsContact C-N 3.34Å; V305-N307 VanDerWaalsContact C-N 3.31Å; V305-N307 PolarHBondContact O-N 3.13Å; V305-E308 HydrophobicContact CB-CB 4.27Å; V305-E308 HydrophobicContact CB-CG 3.8Å; V305-E308 HydrophobicContact CG1-CG 3.91Å; V305-E308 PolarHBondContact O-N 2.76Å; V305-E308 VanDerWaalsContact O-N 3.12Å
306	V	84.6	Confident	93.2	Very high	44 Å²	44	53.9 Å²	53.9	27%	0.267	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-56.6	-44.1	-176.3	179.5	0	0	0	0	111.9	E237 E308 R309	E237-V306 HydrophobicContact CG-CG2 3.99Å; E237-V306 WeakPolarHBondContact OE1-CG2 3.48Å; V306-E308 PolarHBondContact O-N 2.78Å; V306-R309 WeakPolarHBondContact O-CB 3.41Å; V306-R309 PolarHBondContact O-N 2.99Å; V306-R309 VanDerWaalsContact O-N 3.09Å
307	N	85.7	Confident	93.2	Very high	153 Å²	153	55.5 Å²	55.5	82%	0.818	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-70.3	-13.7	-177.2	-66	-14.8	0	0	0	113.9	V305 R309	V305-N307 VanDerWaalsContact C-N 3.31Å; V305-N307 PolarHBondContact O-N 3.13Å; N307-R309 VanDerWaalsContact C-N 3.35Å
308	E	90.6	Very high	93.1	Very high	97 Å²	97	58 Å²	58	45%	0.453	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-87.5	-9.1	174.2	-65.2	-177.5	-167.8	0	0	112.9	R303 V305 V306	R303-E308 HydrophobicContact CB-CB 4.25Å; R303-E308 WeakPolarHBondContact CD-OE2 3.21Å; R303-E308 IonicContact CZ-OE2 3.81Å; R303-E308 IonicContact NE-OE2 3.96Å; R303-E308 IonicContact NH1-OE2 2.98Å; R303-E308 PolarHBondContact NH1-OE2 2.65Å; V305-E308 HydrophobicContact CB-CB 4.27Å; V305-E308 HydrophobicContact CB-CG 3.8Å; V305-E308 HydrophobicContact CG1-CG 3.91Å; V305-E308 PolarHBondContact O-N 2.76Å; V305-E308 VanDerWaalsContact O-N 3.12Å; V306-E308 PolarHBondContact O-N 2.78Å
309	R	93.3	Very high	93.1	Very high	15 Å²	15	58 Å²	58	6%	0.057	31%	0.305	C	S	.	.	S	Bend	trans	-75.7	138.1	176.5	-59.2	175.9	-168.3	153.8	8.1	109	E237 S241 V243 C301 R303 V306 N307	E237-R309 VanDerWaalsContact CD-NH2 3.28Å; E237-R309 IonicContact OE1-CZ 3.18Å; E237-R309 IonicContact OE1-NH1 2.71Å; E237-R309 PolarHBondContact OE1-NH1 2.87Å; E237-R309 IonicContact OE1-NH2 2.88Å; E237-R309 PolarHBondContact OE1-NH2 2.93Å; E237-R309 IonicContact OE2-NH2 2.78Å; E237-R309 PolarHBondContact OE2-NH2 3.06Å; E237-R309 VanDerWaalsContact OE2-NH2 3.15Å; S241-R309 PolarHBondContact OG-NH1 3.36Å; V243-R309 HydrophobicContact CB-CB 4.47Å; V243-R309 HydrophobicContact CG1-CB 3.83Å; C301-R309 WeakPolarHBondContact O-CD 3.5Å; R303-R309 HydrophobicContact CB-CG 4.2Å; R303-R309 PolarHBondContact O-NE 3.49Å; R303-R309 PolarHBondContact O-NH2 3.4Å; V306-R309 WeakPolarHBondContact O-CB 3.41Å; V306-R309 PolarHBondContact O-N 2.99Å; V306-R309 VanDerWaalsContact O-N 3.09Å; N307-R309 VanDerWaalsContact C-N 3.35Å
310	P	95.2	Very high	93.2	Very high	33 Å²	33	56.6 Å²	56.6	21%	0.214	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.4	151.7	179.8	28.3	-34.6	0	0	0	111.4	I315	P310-I315 HydrophobicContact CB-CG1 3.91Å; P310-I315 HydrophobicContact CG-CD1 3.97Å; P310-I315 HydrophobicContact CG-CG1 3.56Å
311	L	94.6	Very high	93.2	Very high	140 Å²	140	54.6 Å²	54.6	73%	0.733	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-71.4	153	166.5	-60	177.4	0	0	0	110	K313 G314 I315	L311-K313 PolarHBondContact O-N 2.81Å; L311-K313 VanDerWaalsContact O-N 3.11Å; L311-G314 WeakPolarHBondContact O-CA 3.36Å; L311-G314 PolarHBondContact O-N 2.95Å; L311-I315 PolarHBondContact O-N 3.08Å
312	F	95.9	Very high	93.3	Very high	13 Å²	13	54.9 Å²	54.9	6%	0.057	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-31.7	178.5	-78.4	-65.1	0	0	0	114	M181 E182 A185 D242 V243 F246 G314 I315 R316	M181-F312 HydrophobicContact CB-CD1 3.45Å; M181-F312 VanDerWaalsContact CB-CD1 3.45Å; M181-F312 HydrophobicContact CB-CD2 3.95Å; M181-F312 HydrophobicContact CB-CE1 3.38Å; M181-F312 HydrophobicContact CB-CE2 3.88Å; M181-F312 HydrophobicContact CB-CG 3.76Å; M181-F312 HydrophobicContact CB-CZ 3.61Å; M181-F312 HydrophobicContact CE-CE1 4.47Å; M181-F312 HydrophobicContact CE-CE2 3.65Å; M181-F312 HydrophobicContact CE-CZ 3.62Å; M181-F312 HydrophobicContact CG-CD1 4.38Å; M181-F312 HydrophobicContact CG-CE1 3.85Å; M181-F312 HydrophobicContact CG-CZ 3.93Å; E182-F312 HydrophobicContact CB-CB 3.99Å; A185-F312 HydrophobicContact CB-CD2 4.07Å; D242-F312 HydrophobicContact CB-CE2 3.91Å; D242-F312 HydrophobicContact CB-CZ 3.89Å; V243-F312 HydrophobicContact CG2-CD2 4.31Å; V243-F312 HydrophobicContact CG2-CE1 4.49Å; V243-F312 HydrophobicContact CG2-CE2 3.89Å; V243-F312 HydrophobicContact CG2-CZ 3.98Å; F246-F312 HydrophobicContact CB-CE1 3.86Å; F246-F312 HydrophobicContact CB-CZ 4.24Å; F246-F312 AromaticContact CD2-CE1 3.89Å; F246-F312 HydrophobicContact CD2-CE1 3.89Å; F246-F312 AromaticContact CG-CE1 3.84Å; F246-F312 HydrophobicContact CG-CE1 3.84Å; F312-G314 PolarHBondContact O-N 3.29Å; F312-I315 HydrophobicContact CD1-CD1 3.85Å; F312-I315 HydrophobicContact CE1-CD1 4.14Å; F312-I315 PolarHBondContact O-N 2.94Å; F312-R316 WeakPolarHBondContact O-CB 3.36Å; F312-R316 PolarHBondContact O-N 3.11Å
313	K	95	Very high	93.5	Very high	128 Å²	128	56 Å²	56	56%	0.557	30%	0.299	S	S	*	.	H	α-helix	trans	-58.1	-45.4	171	-179.6	174.7	179.4	-177.4	0	112.5	E182 L311 L317	E182-K313 WeakPolarHBondContact OE1-CA 3.49Å; E182-K313 VanDerWaalsContact OE1-CB 3.29Å; E182-K313 WeakPolarHBondContact OE1-CB 3.45Å; E182-K313 WeakPolarHBondContact OE1-CG 3.47Å; L311-K313 PolarHBondContact O-N 2.81Å; L311-K313 VanDerWaalsContact O-N 3.11Å; K313-L317 HydrophobicContact CG-CD1 4.36Å; K313-L317 WeakPolarHBondContact O-CG 3.47Å; K313-L317 PolarHBondContact O-N 2.82Å; K313-L317 VanDerWaalsContact O-N 3.13Å
314	G	96.5	Very high	93.7	Very high	35 Å²	35	52.5 Å²	52.5	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-68.6	-39.6	177.7	0	0	0	0	0	112.1	L311 F312 L317 E318	L311-G314 WeakPolarHBondContact O-CA 3.36Å; L311-G314 PolarHBondContact O-N 2.95Å; F312-G314 PolarHBondContact O-N 3.29Å; G314-L317 PolarHBondContact O-N 3.22Å; G314-E318 PolarHBondContact O-N 3.4Å
315	I	97.9	Very high	94.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-47.7	174.2	-62.9	173	0	0	0	110.8	A178 V243 F246 L297 P310 L311 F312 E318 L319	A178-I315 HydrophobicContact CB-CG2 4.16Å; V243-I315 HydrophobicContact CG1-CD1 3.94Å; F246-I315 HydrophobicContact CD1-CD1 4.23Å; F246-I315 HydrophobicContact CD1-CG2 4.04Å; F246-I315 HydrophobicContact CE1-CG2 3.34Å; F246-I315 HydrophobicContact CZ-CG2 3.82Å; L297-I315 HydrophobicContact CD1-CG1 4.33Å; L297-I315 HydrophobicContact CD1-CG2 4.43Å; L297-I315 HydrophobicContact CD2-CG2 4.35Å; P310-I315 HydrophobicContact CB-CG1 3.91Å; P310-I315 HydrophobicContact CG-CD1 3.97Å; P310-I315 HydrophobicContact CG-CG1 3.56Å; L311-I315 PolarHBondContact O-N 3.08Å; F312-I315 HydrophobicContact CD1-CD1 3.85Å; F312-I315 HydrophobicContact CE1-CD1 4.14Å; F312-I315 PolarHBondContact O-N 2.94Å; I315-E318 PolarHBondContact O-N 2.92Å; I315-L319 HydrophobicContact CG2-CD1 3.85Å; I315-L319 WeakPolarHBondContact O-CG 3.45Å; I315-L319 PolarHBondContact O-N 3.31Å
316	R	97.3	Very high	94.7	Very high	39 Å²	39	56 Å²	56	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-49.7	178.2	-178.2	-168.4	56.3	72.9	10.4	111.2	L175 A178 R179 E182 F312 E318 L319 E320	L175-R316 HydrophobicContact CD1-CG 3.88Å; A178-R316 HydrophobicContact CB-CB 4.36Å; R179-R316 HydrophobicContact CG-CG 4.03Å; E182-R316 IonicContact OE1-NE 3.14Å; E182-R316 IonicContact OE1-NH2 3.4Å; E182-R316 WeakPolarHBondContact OE2-CD 3.15Å; E182-R316 IonicContact OE2-CZ 3.27Å; E182-R316 IonicContact OE2-NE 2.69Å; E182-R316 PolarHBondContact OE2-NE 2.76Å; F312-R316 WeakPolarHBondContact O-CB 3.36Å; F312-R316 PolarHBondContact O-N 3.11Å; R316-E318 VanDerWaalsContact C-N 3.32Å; R316-E318 PolarHBondContact O-N 3.31Å; R316-L319 PolarHBondContact O-N 3.15Å; R316-E320 HydrophobicContact CG-CG 4.42Å; R316-E320 IonicContact CZ-OE1 2.64Å; R316-E320 IonicContact CZ-OE2 3.82Å; R316-E320 IonicContact NH1-OE1 2.66Å; R316-E320 PolarHBondContact NH1-OE1 3.02Å; R316-E320 IonicContact NH1-OE2 3.03Å; R316-E320 PolarHBondContact NH1-OE2 3.28Å; R316-E320 WeakPolarHBondContact O-CG 3.25Å; R316-E320 PolarHBondContact O-N 3.34Å
317	L	96.4	Very high	95.2	Very high	86 Å²	86	56.7 Å²	56.7	45%	0.45	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-41.2	-179.5	-71.1	170.9	0	0	0	112.2	K313 G314 E320 S321	K313-L317 HydrophobicContact CG-CD1 4.36Å; K313-L317 WeakPolarHBondContact O-CG 3.47Å; K313-L317 PolarHBondContact O-N 2.82Å; K313-L317 VanDerWaalsContact O-N 3.13Å; G314-L317 PolarHBondContact O-N 3.22Å; L317-E320 PolarHBondContact O-N 3.4Å; L317-S321 PolarHBondContact O-N 3.3Å; L317-S321 VanDerWaalsContact O-N 3.13Å
318	E	97.2	Very high	95.5	Very high	57 Å²	57	49.8 Å²	49.8	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-44.2	175.3	-172.7	67.8	-162.2	0	0	111.2	R293 L297 G314 I315 R316 E320 S321 I322	R293-E318 IonicContact CZ-OE1 3.19Å; R293-E318 IonicContact NE-OE1 3.98Å; R293-E318 PolarHBondContact NE-OE1 2.91Å; R293-E318 VanDerWaalsContact NH2-CD 3.33Å; R293-E318 IonicContact NH2-OE1 2.76Å; R293-E318 PolarHBondContact NH2-OE1 3.08Å; R293-E318 IonicContact NH2-OE2 2.75Å; L297-E318 HydrophobicContact CD1-CB 4.36Å; L297-E318 HydrophobicContact CD1-CG 4.24Å; L297-E318 HydrophobicContact CD2-CB 4.3Å; L297-E318 HydrophobicContact CD2-CG 4.09Å; G314-E318 PolarHBondContact O-N 3.4Å; I315-E318 PolarHBondContact O-N 2.92Å; R316-E318 VanDerWaalsContact C-N 3.32Å; R316-E318 PolarHBondContact O-N 3.31Å; E318-E320 PolarHBondContact O-N 3.23Å; E318-S321 PolarHBondContact O-N 3.49Å; E318-I322 HydrophobicContact CG-CD1 3.97Å; E318-I322 VanDerWaalsContact O-CG1 3.29Å; E318-I322 WeakPolarHBondContact O-CG1 3.45Å; E318-I322 PolarHBondContact O-N 3.27Å
319	L	97.7	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-34.2	178	-74.7	167.7	0	0	0	113	C174 L175 A178 F246 L294 L297 I315 R316 Y323	C174-L319 HydrophobicContact CB-CD1 4.01Å; C174-L319 HydrophobicContact CB-CD2 3.78Å; L175-L319 HydrophobicContact CB-CB 4.25Å; L175-L319 HydrophobicContact CD1-CB 4.04Å; A178-L319 HydrophobicContact CB-CD1 3.66Å; F246-L319 HydrophobicContact CE1-CD1 4.33Å; F246-L319 HydrophobicContact CZ-CD1 3.92Å; L294-L319 HydrophobicContact CD2-CD2 3.95Å; L297-L319 HydrophobicContact CD2-CD1 4.26Å; L297-L319 HydrophobicContact CD2-CD2 3.69Å; L297-L319 HydrophobicContact CD2-CG 3.6Å; I315-L319 HydrophobicContact CG2-CD1 3.85Å; I315-L319 WeakPolarHBondContact O-CG 3.45Å; I315-L319 PolarHBondContact O-N 3.31Å; R316-L319 PolarHBondContact O-N 3.15Å; L319-Y323 WeakPolarHBondContact O-CB 3.34Å; L319-Y323 PolarHBondContact O-N 2.71Å
320	E	96.2	Very high	94.7	Very high	33 Å²	33	56.2 Å²	56.2	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-44.1	173.3	-75.3	178.5	173.3	0	0	111.3	L175 R179 R316 L317 E318 Y323 G324 L330	L175-E320 HydrophobicContact CD1-CG 3.55Å; L175-E320 HydrophobicContact CD2-CG 4Å; L175-E320 HydrophobicContact CG-CG 4.44Å; R179-E320 IonicContact CZ-OE1 3.04Å; R179-E320 IonicContact NE-OE1 2.95Å; R179-E320 IonicContact NH2-OE1 3.72Å; R179-E320 PolarHBondContact NH2-OE1 3.15Å; R316-E320 HydrophobicContact CG-CG 4.42Å; R316-E320 IonicContact CZ-OE1 2.64Å; R316-E320 IonicContact CZ-OE2 3.82Å; R316-E320 IonicContact NH1-OE1 2.66Å; R316-E320 PolarHBondContact NH1-OE1 3.02Å; R316-E320 IonicContact NH1-OE2 3.03Å; R316-E320 PolarHBondContact NH1-OE2 3.28Å; R316-E320 WeakPolarHBondContact O-CG 3.25Å; R316-E320 PolarHBondContact O-N 3.34Å; L317-E320 PolarHBondContact O-N 3.4Å; E318-E320 PolarHBondContact O-N 3.23Å; E320-Y323 PolarHBondContact O-N 2.83Å; E320-G324 PolarHBondContact O-N 2.83Å; E320-L330 HydrophobicContact CB-CD1 3.98Å; E320-L330 HydrophobicContact CB-CD2 4.11Å; E320-L330 HydrophobicContact CG-CD1 4.45Å; E320-L330 HydrophobicContact CG-CD2 3.92Å
321	S	96.7	Very high	93.1	Very high	48 Å²	48	57.8 Å²	57.8	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-48.6	174.7	167	0	0	0	0	111.7	R293 L317 E318 Y323 G324 E325	R293-S321 PolarHBondContact NH1-OG 3.15Å; R293-S321 VanDerWaalsContact NH1-OG 3.08Å; R293-S321 PolarHBondContact NH2-OG 3Å; L317-S321 PolarHBondContact O-N 3.3Å; L317-S321 VanDerWaalsContact O-N 3.13Å; E318-S321 PolarHBondContact O-N 3.49Å; S321-Y323 VanDerWaalsContact C-N 3.35Å; S321-Y323 PolarHBondContact O-N 2.77Å; S321-G324 PolarHBondContact O-N 3.23Å; S321-E325 WeakPolarHBondContact O-CG 3.21Å; S321-E325 PolarHBondContact O-N 2.83Å; S321-E325 PolarHBondContact OG-OE1 3.45Å
322	I	96.9	Very high	91.2	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-43.9	178.1	-66.3	167.4	0	0	0	110.9	R293 L294 E318 E325 L326	R293-I322 HydrophobicContact CB-CD1 3.8Å; R293-I322 HydrophobicContact CB-CG1 3.93Å; L294-I322 HydrophobicContact CD1-CG2 4.42Å; L294-I322 HydrophobicContact CD2-CD1 3.95Å; L294-I322 HydrophobicContact CD2-CG2 3.82Å; L294-I322 HydrophobicContact CG-CD1 4.32Å; L294-I322 HydrophobicContact CG-CG2 3.87Å; E318-I322 HydrophobicContact CG-CD1 3.97Å; E318-I322 VanDerWaalsContact O-CG1 3.29Å; E318-I322 WeakPolarHBondContact O-CG1 3.45Å; E318-I322 PolarHBondContact O-N 3.27Å; I322-E325 PolarHBondContact O-N 3.09Å; I322-L326 HydrophobicContact CG2-CD1 3.91Å; I322-L326 WeakPolarHBondContact O-CG 3.09Å; I322-L326 PolarHBondContact O-N 3.24Å; I322-L326 VanDerWaalsContact O-N 3.1Å
323	Y	96.1	Very high	89	Confident	23 Å²	23	62 Å²	62	9%	0.09	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-41.4	-179.6	-178.7	-115	0	0	0	111.7	K168 R172 L175 L319 E320 S321 L326 G328 L330	K168-Y323 HydrophobicContact CG-CD2 4.29Å; K168-Y323 HydrophobicContact CG-CE2 3.77Å; K168-Y323 WeakPolarHBondContact O-CD2 2.85Å; K168-Y323 WeakPolarHBondContact O-CE2 3.49Å; R172-Y323 HydrophobicContact CB-CD2 4.13Å; R172-Y323 HydrophobicContact CB-CE2 3.59Å; R172-Y323 HydrophobicContact CG-CE2 4.11Å; L175-Y323 HydrophobicContact CD2-CD1 4.18Å; L175-Y323 HydrophobicContact CD2-CG 4.44Å; L319-Y323 WeakPolarHBondContact O-CB 3.34Å; L319-Y323 PolarHBondContact O-N 2.71Å; E320-Y323 PolarHBondContact O-N 2.83Å; S321-Y323 VanDerWaalsContact C-N 3.35Å; S321-Y323 PolarHBondContact O-N 2.77Å; Y323-L326 PolarHBondContact O-N 2.94Å; Y323-G328 VanDerWaalsContact CE1-CA 3.49Å; Y323-G328 VanDerWaalsContact CZ-CA 3.46Å; Y323-G328 VanDerWaalsContact O-CA 3.28Å; Y323-G328 WeakPolarHBondContact O-CA 3.28Å; Y323-G328 PolarHBondContact O-N 2.96Å; Y323-L330 HydrophobicContact CD1-CD2 3.88Å
324	G	95.3	Very high	86.6	Confident	35 Å²	35	62.3 Å²	62.3	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-44.3	173.9	0	0	0	0	0	113	E320 S321 L326 G327	E320-G324 PolarHBondContact O-N 2.83Å; S321-G324 PolarHBondContact O-N 3.23Å; G324-L326 VanDerWaalsContact C-N 3.26Å; G324-L326 PolarHBondContact O-N 2.77Å; G324-G327 PolarHBondContact O-N 3.24Å
325	E	95.3	Very high	84.3	Confident	132 Å²	132	62 Å²	62	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-63.6	-30	176.9	-77.4	169.1	-154.4	0	0	113.5	R293 S321 I322 G327	R293-E325 IonicContact CZ-OE1 3.69Å; R293-E325 IonicContact CZ-OE2 3.73Å; R293-E325 IonicContact NH1-OE1 3.77Å; R293-E325 PolarHBondContact NH1-OE1 3.24Å; R293-E325 IonicContact NH1-OE2 2.63Å; R293-E325 PolarHBondContact NH1-OE2 3.15Å; S321-E325 WeakPolarHBondContact O-CG 3.21Å; S321-E325 PolarHBondContact O-N 2.83Å; S321-E325 PolarHBondContact OG-OE1 3.45Å; I322-E325 PolarHBondContact O-N 3.09Å; E325-G327 PolarHBondContact O-N 3.21Å
326	L	95	Very high	82	Confident	61 Å²	61	65.2 Å²	65.2	32%	0.319	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	11.4	174.4	-66.2	169.5	0	0	0	112.8	W167 K168 S171 I322 Y323 G324 G328	W167-L326 HydrophobicContact CB-CD1 4.24Å; W167-L326 HydrophobicContact CB-CD2 4.44Å; K168-L326 HydrophobicContact CB-CB 4.12Å; K168-L326 WeakPolarHBondContact CD-O 3.43Å; K168-L326 HydrophobicContact CG-CB 4.42Å; S171-L326 WeakPolarHBondContact OG-CD1 2.88Å; I322-L326 HydrophobicContact CG2-CD1 3.91Å; I322-L326 WeakPolarHBondContact O-CG 3.09Å; I322-L326 PolarHBondContact O-N 3.24Å; I322-L326 VanDerWaalsContact O-N 3.1Å; Y323-L326 PolarHBondContact O-N 2.94Å; G324-L326 VanDerWaalsContact C-N 3.26Å; G324-L326 PolarHBondContact O-N 2.77Å; L326-G328 VanDerWaalsContact C-N 3.35Å
327	G	94.3	Very high	79.7	Confident	57 Å²	57	67.4 Å²	67.4	59%	0.588	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	19.9	-179	0	0	0	0	0	113.7	G324 E325	G324-G327 PolarHBondContact O-N 3.24Å; E325-G327 PolarHBondContact O-N 3.21Å
328	G	91.6	Very high	77.5	Confident	9 Å²	9	69.9 Å²	69.9	9%	0.093	38%	0.384	C	S	.	.			trans	-79.6	129.3	174	0	0	0	0	0	111.7	Y323 L326 L330	Y323-G328 VanDerWaalsContact CE1-CA 3.49Å; Y323-G328 VanDerWaalsContact CZ-CA 3.46Å; Y323-G328 VanDerWaalsContact O-CA 3.28Å; Y323-G328 WeakPolarHBondContact O-CA 3.28Å; Y323-G328 PolarHBondContact O-N 2.96Å; L326-G328 VanDerWaalsContact C-N 3.35Å; G328-L330 PolarHBondContact O-N 3.35Å
329	E	88	Confident	75.6	Confident	169 Å²	169	68.2 Å²	68.2	79%	0.79	38%	0.376	S	S	*	.			trans	-81.5	118.4	174.3	-67.5	178.2	-173.1	0	0	110.2	S331	E329-S331 PolarHBondContact O-N 3.34Å
330	L	79.9	Confident	73.1	Confident	78 Å²	78	71.7 Å²	71.7	41%	0.408	39%	0.394	S	S	.	.			trans	-76.4	78	167.1	-64.7	173.7	0	0	0	108	L175 E320 Y323 G328 F332	L175-L330 HydrophobicContact CD2-CD2 4Å; E320-L330 HydrophobicContact CB-CD1 3.98Å; E320-L330 HydrophobicContact CB-CD2 4.11Å; E320-L330 HydrophobicContact CG-CD1 4.45Å; E320-L330 HydrophobicContact CG-CD2 3.92Å; Y323-L330 HydrophobicContact CD1-CD2 3.88Å; G328-L330 PolarHBondContact O-N 3.35Å; L330-F332 PolarHBondContact O-N 3.07Å
331	S	62.3	Low	70.7	Confident	65 Å²	65	73.7 Å²	73.7	46%	0.455	41%	0.408	S	S	.	.			trans	-57.3	137.6	165.3	55.5	0	0	0	0	108.1	E329 E333	E329-S331 PolarHBondContact O-N 3.34Å; S331-E333 PolarHBondContact O-N 2.94Å
332	F	53.5	Low	68.7	Low	190 Å²	190	72.8 Å²	72.8	83%	0.833	40%	0.4	S	S	*	.			trans	-62.4	38.8	-176.2	-117	-94.2	0	0	0	114.6	L330 Q334	L330-F332 PolarHBondContact O-N 3.07Å; F332-Q334 PolarHBondContact O-N 2.98Å
333	E	49.2	Very low	66.6	Low	53 Å²	53	73.3 Å²	73.3	25%	0.248	40%	0.404	C	S	.	.			trans	-69.4	51	168.6	-64.5	-166.7	147	0	0	110.5	R127 S331	R127-E333 IonicContact CZ-OE1 3.88Å; R127-E333 VanDerWaalsContact CZ-OE1 3.27Å; R127-E333 IonicContact CZ-OE2 3.95Å; R127-E333 IonicContact NE-OE2 3.24Å; R127-E333 VanDerWaalsContact NH1-CB 3.29Å; R127-E333 VanDerWaalsContact NH1-CG 3.25Å; R127-E333 IonicContact NH1-OE1 3.85Å; R127-E333 PolarHBondContact NH1-OE1 3.37Å; R127-E333 VanDerWaalsContact NH1-OE1 3.14Å; R127-E333 IonicContact NH1-OE2 3.81Å; R127-E333 PolarHBondContact NH1-OE2 2.72Å; R127-E333 IonicContact NH2-OE1 2.67Å; R127-E333 PolarHBondContact NH2-OE1 3.38Å; R127-E333 IonicContact NH2-OE2 3.71Å; R127-E333 PolarHBondContact NH2-OE2 3.09Å; S331-E333 PolarHBondContact O-N 2.94Å
334	Q	46.1	Very low	64.1	Low	134 Å²	134	78 Å²	78	63%	0.626	43%	0.426	S	S	*	.			trans	-53.5	128.2	151	-78	-168.8	-6.1	0	0	105.7	F332	F332-Q334 PolarHBondContact O-N 2.98Å
335	P	48.6	Very low	61.6	Low	28 Å²	28	81.3 Å²	81.3	18%	0.182	44%	0.435	C	S	.	.			trans	-51.1	132	170.8	23.4	-31.9	0	0	0	106.6	S337 E339 M340	P335-S337 PolarHBondContact O-N 3.12Å; P335-E339 HydrophobicContact CB-CB 3.82Å; P335-E339 HydrophobicContact CB-CG 4.33Å; P335-E339 WeakPolarHBondContact CB-OE2 3.4Å; P335-M340 HydrophobicContact CG-CG 4.36Å
336	P	48.9	Very low	59.1	Low	67 Å²	67	77.8 Å²	77.8	44%	0.435	43%	0.428	S	S	.	.			trans	-40.7	143	177.9	-29.8	31.3	0	0	0	110.2	E338 E339 M340	P336-E338 PolarHBondContact O-N 3.32Å; P336-E339 HydrophobicContact CB-CG 4.47Å; P336-E339 HydrophobicContact CG-CG 4.42Å; P336-E339 WeakPolarHBondContact O-CA 3.13Å; P336-E339 WeakPolarHBondContact O-CB 3.42Å; P336-E339 PolarHBondContact O-N 3.09Å; P336-M340 PolarHBondContact O-N 3.39Å
337	S	48.3	Very low	56.4	Low	85 Å²	85	77.1 Å²	77.1	59%	0.594	43%	0.431	S	S	*	.	H	α-helix	trans	-50.6	-29.1	-179.6	51.6	0	0	0	0	112.7	P335 M340 T341	P335-S337 PolarHBondContact O-N 3.12Å; S337-M340 WeakPolarHBondContact O-CA 3.18Å; S337-M340 WeakPolarHBondContact O-CB 3.49Å; S337-M340 PolarHBondContact O-N 2.81Å; S337-T341 PolarHBondContact O-N 3.43Å
338	E	50	Low	53.8	Low	138 Å²	138	80.5 Å²	80.5	65%	0.645	43%	0.432	S	S	*	.	H	α-helix	trans	-61.8	-35	172	-61	-179.9	-177.8	0	0	114.7	P336 M340 T341	P336-E338 PolarHBondContact O-N 3.32Å; E338-M340 PolarHBondContact O-N 3.41Å; E338-T341 WeakPolarHBondContact CA-OG1 3.31Å; E338-T341 PolarHBondContact O-OG1 3.15Å
339	E	57.4	Low	51.4	Low	22 Å²	22	83.7 Å²	83.7	10%	0.103	45%	0.445	C	S	.	.	H	α-helix	trans	-68.6	-25.8	171.2	-68.6	-171.5	-171	0	0	110.8	N125 H126 R127 Y183 P335 P336	N125-E339 WeakPolarHBondContact O-CA 3.4Å; N125-E339 VanDerWaalsContact O-CB 3.3Å; N125-E339 WeakPolarHBondContact O-CB 3.32Å; H126-E339 VanDerWaalsContact CA-OE2 3.29Å; H126-E339 WeakPolarHBondContact CA-OE2 2.93Å; H126-E339 IonicContact CD2-OE2 2.76Å; H126-E339 PolarHBondContact CD2-OE2 3.38Å; H126-E339 IonicContact CG-OE2 3.22Å; R127-E339 PolarHBondContact N-OE1 2.93Å; R127-E339 PolarHBondContact N-OE2 2.77Å; Y183-E339 WeakPolarHBondContact CE2-O 3.39Å; P335-E339 HydrophobicContact CB-CB 3.82Å; P335-E339 HydrophobicContact CB-CG 4.33Å; P335-E339 WeakPolarHBondContact CB-OE2 3.4Å; P336-E339 HydrophobicContact CB-CG 4.47Å; P336-E339 HydrophobicContact CG-CG 4.42Å; P336-E339 WeakPolarHBondContact O-CA 3.13Å; P336-E339 WeakPolarHBondContact O-CB 3.42Å; P336-E339 PolarHBondContact O-N 3.09Å
340	M	45.7	Very low	49	Very low	74 Å²	74	77.7 Å²	77.7	37%	0.365	43%	0.428	S	S	.	.	H	α-helix	trans	-85.7	-20	179.6	-68.7	-166	-77.9	0	0	114.7	K186 P335 P336 S337 E338	K186-M340 PolarHBondContact NZ-O 2.84Å; P335-M340 HydrophobicContact CG-CG 4.36Å; P336-M340 PolarHBondContact O-N 3.39Å; S337-M340 WeakPolarHBondContact O-CA 3.18Å; S337-M340 WeakPolarHBondContact O-CB 3.49Å; S337-M340 PolarHBondContact O-N 2.81Å; E338-M340 PolarHBondContact O-N 3.41Å
341	T	46.8	Very low	47.1	Very low	75 Å²	75	81.1 Å²	81.1	46%	0.46	44%	0.439	S	S	.	.	H	α-helix	trans	-83.4	-28.7	-176.9	42.4	0	0	0	0	113.6	S337 E338 C343 K344	S337-T341 PolarHBondContact O-N 3.43Å; E338-T341 WeakPolarHBondContact CA-OG1 3.31Å; E338-T341 PolarHBondContact O-OG1 3.15Å; T341-C343 PolarHBondContact O-N 3.3Å; T341-K344 PolarHBondContact O-N 3.3Å
342	T	53.3	Low	46	Very low	28 Å²	28	85.2 Å²	85.2	17%	0.172	45%	0.453	C	S	.	.	H	α-helix	trans	-60.6	-22.3	-174.2	65.9	0	0	0	0	114.6	N125 Y183	N125-T342 HydrophobicContact CB-CG2 3.94Å; Y183-T342 PolarHBondContact OH-OG1 3.36Å
343	C	52.4	Low	45.5	Very low	16 Å²	16	81.5 Å²	81.5	11%	0.108	43%	0.433	C	S	.	.	H	α-helix	trans	-92	-7.8	178.6	-68.6	0	0	0	0	114.9	C187 T341	C187-C343 HydrophobicContact CB-CB 3.97Å; C187-C343 WeakPolarHBondContact CB-SG 3.2Å; C187-C343 WeakPolarHBondContact SG-CB 3.4Å; C187-C343 CovalentContact SG-SG 2.02Å; C187-C343 PolarHBondContact SG-SG 2.63Å; T341-C343 PolarHBondContact O-N 3.3Å
344	K	44.3	Very low	45.2	Very low	123 Å²	123	84.7 Å²	84.7	54%	0.535	46%	0.457	S	S	.	.	H	α-helix	trans	-78.5	-39.2	175.1	-73.7	-170.2	175.6	-176	0	111.9	T341 A346 A347 E348	T341-K344 PolarHBondContact O-N 3.3Å; K344-A346 VanDerWaalsContact C-N 3.29Å; K344-A346 PolarHBondContact O-N 3.45Å; K344-A347 PolarHBondContact O-N 2.83Å; K344-A347 VanDerWaalsContact O-N 3.11Å; K344-E348 PolarHBondContact O-N 3.31Å
345	D	43.5	Very low	45	Very low	103 Å²	103	86.1 Å²	86.1	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-62.5	-37	-178.9	-61.1	-20.2	0	0	0	112	E349	D345-E349 WeakPolarHBondContact O-CG 3.3Å; D345-E349 PolarHBondContact O-N 3.26Å
346	A	41.8	Very low	44.5	Very low	59 Å²	59	94.1 Å²	94.1	49%	0.488	50%	0.497	S	S	.	.	H	α-helix	trans	-72.6	-27	177.4	0	0	0	0	0	114	K344	K344-A346 VanDerWaalsContact C-N 3.29Å; K344-A346 PolarHBondContact O-N 3.45Å
347	A	39.3	Very low	43.7	Very low	46 Å²	46	97.7 Å²	97.7	38%	0.38	55%	0.546	S	S	.	.	H	α-helix	trans	-91.3	-31.7	-176.5	0	0	0	0	0	113	K344 K351	K344-A347 PolarHBondContact O-N 2.83Å; K344-A347 VanDerWaalsContact O-N 3.11Å; A347-K351 PolarHBondContact O-N 3.16Å
348	E	39	Very low	43.5	Very low	129 Å²	129	98.3 Å²	98.3	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-76.8	-34.2	176.9	-74.9	-177.4	175.1	0	0	112.3	K344 G350 K351 M352	K344-E348 PolarHBondContact O-N 3.31Å; E348-G350 PolarHBondContact O-N 2.96Å; E348-K351 PolarHBondContact O-N 3.12Å; E348-M352 PolarHBondContact O-N 2.88Å
349	E	40.3	Very low	43.1	Very low	76 Å²	76	96.2 Å²	96.2	36%	0.355	54%	0.538	S	S	.	.	H	α-helix	trans	-63.2	-30.7	171.8	-75.6	-171.9	161.4	0	0	112.6	D345 R353	D345-E349 WeakPolarHBondContact O-CG 3.3Å; D345-E349 PolarHBondContact O-N 3.26Å; E349-R353 WeakPolarHBondContact O-CG 3.45Å
350	G	38.4	Very low	42.4	Very low	42 Å²	42	100.3 Å²	100.3	43%	0.433	56%	0.562	S	S	.	*	H	α-helix	trans	-72.6	-32	175.1	0	0	0	0	0	114.1	E348	E348-G350 PolarHBondContact O-N 2.96Å
351	K	40.2	Very low	42.2	Very low	151 Å²	151	101.9 Å²	101.9	66%	0.657	57%	0.574	S	S	*	*	H	α-helix	trans	-81.4	-28.3	-179.2	-78	-176.4	178.4	179.9	0	113.9	A347 E348 R353 T354	A347-K351 PolarHBondContact O-N 3.16Å; E348-K351 PolarHBondContact O-N 3.12Å; K351-R353 PolarHBondContact O-N 3.16Å; K351-T354 PolarHBondContact O-OG1 3.47Å
352	M	38.1	Very low	41.9	Very low	150 Å²	150	103.6 Å²	103.6	74%	0.739	58%	0.581	S	S	*	*	H	α-helix	trans	-69.1	-22.6	172.2	-87.2	-171.2	-167	0	0	112.9	E348	E348-M352 PolarHBondContact O-N 2.88Å
353	R	43.9	Very low	41.1	Very low	112 Å²	112	108.6 Å²	108.6	42%	0.423	61%	0.608	S	S	.	*	H	α-helix	trans	-85.5	-20.2	-176.2	-72.4	179.4	177.5	175.9	6.9	114.5	V4 D5 E349 K351 M355	V4-R353 VanDerWaalsContact CG1-NH1 3.27Å; V4-R353 PolarHBondContact O-NH2 3.22Å; D5-R353 IonicContact OD1-CZ 2.71Å; D5-R353 IonicContact OD1-NH1 3.84Å; D5-R353 PolarHBondContact OD1-NH1 3.35Å; D5-R353 IonicContact OD1-NH2 3.66Å; D5-R353 PolarHBondContact OD1-NH2 3.02Å; E349-R353 WeakPolarHBondContact O-CG 3.45Å; K351-R353 PolarHBondContact O-N 3.16Å; R353-M355 VanDerWaalsContact C-N 3.31Å
354	T	43.4	Very low	40.3	Very low	121 Å²	121	115.2 Å²	115.2	74%	0.742	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-4.8	171.6	31.9	0	0	0	0	113.9	K351	K351-T354 PolarHBondContact O-OG1 3.47Å
355	M	41	Very low	40	Very low	163 Å²	163	114.6 Å²	114.6	80%	0.803	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	4.7	176.9	-74.8	-164.6	-100.8	0	0	114.3	R353	R353-M355 VanDerWaalsContact C-N 3.31Å
356	K	38.8	Very low	39.7	Very low	197 Å²	197	115.6 Å²	115.6	86%	0.857	66%	0.661	S	S	*	*			trans	-135.4	30.3	179.9	-78.5	-169.7	173.1	-177.8	0	113.8
357	G	32.3	Very low	39.5	Very low	141 Å²	141	120.7 Å²	120.7	100%	1.454	68%	0.677	S	S	*	*			trans	-107	0	175	0	0	0	0	0	111.7

Retrieved 357 of 357 residues in 101 ms (Link to these results)

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